NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3776 8.1585 120.3647 54.9740 34.1664 176.9256 2 A 3.8745 7.8879 121.3743 53.4541 18.3751 178.5399 3 L 3.3582 7.2724 118.1874 58.1098 40.8130 177.3249 4 K 3.4491 7.0662 116.7594 58.2163 33.1137 178.6292 5 R 3.8207 7.1727 120.1316 59.1759 30.2342 178.0023 6 I 3.7093 7.6024 119.4390 64.1662 36.4878 177.6695 7 H 4.1482 7.8396 117.4914 58.7744 28.3480 177.1225 8 K 3.9837 8.2519 119.9540 58.5458 32.2896 178.5542 9 E 4.2496 8.0829 118.0522 59.9119 29.6884 179.5819 10 L 3.7605 8.2447 119.8424 58.0551 42.0752 178.1711 11 N 4.3735 7.5041 115.8597 55.6289 39.0885 176.3043 12 D 4.4643 8.9060 120.7672 57.1451 40.9821 178.0546 13 L 4.0365 7.5076 118.6276 57.5185 41.6530 178.7426 14 A 4.2367 7.7144 119.2515 54.3794 18.7551 179.3801 15 R 4.2589 8.0759 116.7380 58.1966 30.9097 177.1212 16 D 4.4469 7.7466 119.3259 51.9195 41.8124 171.3692 17 P 4.5557 0.0000 0.0000 60.5152 30.7670 174.1386 18 P 4.3296 0.0000 0.0000 62.8140 32.3683 176.0099 19 A 4.3918 7.9280 117.5011 50.9345 22.5866 175.9853 20 Q 3.4018 8.7541 114.6067 56.6166 27.8553 172.9968 21 C 4.7926 7.8920 110.4998 58.2457 32.4551 173.8712 22 S 4.6649 8.4058 119.8431 57.5941 67.4749 173.6896 23 A 5.5822 8.8267 125.8370 50.5819 22.4862 174.3025 24 G 3.7731 8.6412 103.0044 44.4342 0.0000 169.8742 25 P 4.1804 0.0000 0.0000 63.2186 30.9654 175.6956 26 V 3.9726 8.3732 122.8275 64.6810 32.3825 176.7488 27 G 3.9311 7.8827 106.1139 44.6936 0.0000 174.9397 28 D 4.6208 8.1224 117.9894 54.1615 38.7802 173.7186 29 D 4.3911 7.2511 119.9580 52.7840 40.2563 176.5679 30 M 4.2274 8.5132 121.0929 55.6582 32.0129 176.3710 31 F 5.6159 7.5582 111.5181 56.9303 39.9877 174.2243 32 H 5.5450 8.3953 120.5717 55.0459 31.1935 171.5730 33 W 5.3632 8.8297 120.7540 54.3097 32.5805 173.8231 34 Q 4.9640 8.9088 121.3680 54.4053 31.4740 173.5692 35 A 5.8118 9.5935 129.4365 49.7971 21.6024 175.2440 36 T 5.3016 8.4569 113.5257 59.9377 69.8143 173.1911 37 I 5.3088 7.8419 128.2738 59.5669 39.4198 174.7271 38 M 5.3419 8.5703 125.0591 53.4658 34.8628 175.8613 39 G 3.9257 9.9233 110.7367 50.1851 0.0000 172.3950 40 P 4.4498 0.0000 0.0000 62.1359 29.1163 175.3251 41 N 4.2696 7.8865 130.0078 53.7316 40.1773 174.9357 42 D 4.5970 8.0676 124.6698 53.1487 43.0666 173.5397 43 S 4.7012 8.0487 118.2914 55.0023 65.8882 172.8105 44 P 4.2247 0.0000 0.0000 65.5041 31.3996 176.9644 45 Y 5.0564 7.3365 115.7350 56.9755 38.4775 175.5482 46 Q 4.1169 7.7706 120.4815 58.0559 29.8184 176.5838 47 G 3.9159 9.5496 113.3069 45.0341 0.0000 173.0290 48 G 3.9346 7.8906 107.3348 44.2196 0.0000 173.3111 49 V 4.1058 7.8980 127.2160 62.0867 31.5152 175.5227 50 F 4.1181 9.3906 128.4224 56.3717 41.3984 174.6985 51 F 5.2554 8.7487 117.2484 55.8696 42.4739 174.2284 52 L 4.9078 9.2104 123.8426 53.1349 44.8486 175.4957 53 T 4.8588 8.9989 121.1787 61.8902 70.7087 173.7337 54 I 4.9528 8.1990 126.7820 58.5569 40.1738 174.3435 55 H 6.0832 8.5176 120.1197 52.7658 31.7453 172.4649 56 F 5.1306 8.9686 114.5658 54.6777 40.7227 172.8701 57 P 4.1847 0.0000 0.0000 62.0319 31.1775 175.6652 58 T 3.8113 8.0045 114.2272 63.6562 67.2641 172.0517 59 D 4.5669 8.2319 129.9991 57.5920 42.1804 176.9163 60 Y 4.3641 8.0612 117.7188 57.2412 39.3899 174.2289 61 P 2.9700 0.0000 0.0000 65.1875 31.3897 176.9828 62 F 4.6328 8.1215 123.1731 57.8915 38.1352 174.4042 63 K 4.3465 9.2336 130.2424 53.9659 31.3790 173.2891 64 P 3.9898 0.0000 0.0000 60.7707 30.5561 175.3530 65 P 4.3318 0.0000 0.0000 61.6568 30.3139 176.7750 66 K 4.2448 8.1988 126.0767 56.1071 30.0777 173.7291 67 V 4.1509 7.8585 123.5150 59.6163 33.4025 174.7602 68 A 5.1320 8.3662 127.8453 49.4890 21.6513 175.0666 69 F 4.4014 9.3176 122.0582 58.2851 39.3119 176.6469 70 T 3.8609 9.4622 122.6621 66.5571 68.9559 174.9113 71 T 4.1660 7.9572 114.7002 60.4039 69.4333 173.1440 72 R 3.8814 7.3016 117.9961 54.9249 30.5131 175.8767 73 I 4.4632 7.2696 118.8923 60.4827 40.6341 173.1120 74 Y 4.5032 8.7760 126.3108 57.4359 38.7543 174.5440 75 H 4.4818 8.4276 122.1581 54.8049 32.6623 173.1037 76 P 4.2573 0.0000 0.0000 65.3278 31.2651 177.3365 77 N 4.6911 7.9298 114.6458 53.2214 39.4306 174.0519 78 I 4.7043 7.5027 119.9879 59.4519 38.0886 175.1911 79 N 4.7463 8.4085 123.8382 51.1084 38.8655 176.3887 80 S 4.1560 8.5129 109.0462 59.3010 62.3259 174.2020 81 N 4.7551 7.8698 115.4755 52.5863 37.6936 175.2678 82 G 4.0709 8.6719 106.7511 46.5206 0.0000 173.2328 83 S 4.6372 8.0984 115.7605 57.9553 63.4330 172.8595 84 I 5.0014 7.6729 125.0023 60.0300 39.2369 175.6850 85 C 4.3991 8.9979 127.7085 58.0440 31.1659 171.6544 86 L 4.6743 8.0768 126.7697 52.7719 43.7008 176.1707 87 D 4.4801 9.1120 126.8834 57.8153 40.8253 179.1355 88 I 3.8825 7.9699 109.8898 62.4404 37.4204 176.5371 89 L 4.9519 8.6526 119.8350 54.3143 43.5597 177.1071 90 R 4.6699 8.1584 113.2749 56.5055 31.5392 176.6008 91 S 4.6156 9.5087 112.8000 59.1031 65.2857 174.8514 92 Q 4.5852 7.9535 115.6026 55.1351 29.0013 175.1269 93 W 4.4831 8.3055 127.9725 56.6429 31.5692 175.2972 94 S 4.1310 6.7579 117.6367 56.1175 65.3268 173.2212 95 P 4.3095 0.0000 0.0000 63.0638 30.1450 177.0610 96 A 4.3881 7.6402 119.6651 51.5937 19.7642 177.1753 97 L 4.3800 6.7628 116.7135 52.7460 41.9163 176.5611 98 T 4.7175 7.9971 113.6764 60.7671 69.7519 175.6838 99 I 3.9654 8.3089 122.4088 64.1169 37.5527 178.3681 100 S 4.0051 7.9416 114.4489 61.4697 62.4446 176.1791 101 K 4.1530 8.2008 120.7190 59.6578 32.0583 179.4255 102 V 3.8186 8.1726 112.7163 64.1840 31.3953 178.6635 103 L 4.0185 8.6802 119.6369 57.7469 41.4407 179.4604 104 L 4.1544 7.9037 118.5455 57.7279 41.4368 179.5027 105 S 4.2018 7.6991 114.3437 61.6090 62.9692 176.4616 106 I 3.9286 8.5578 123.0166 64.4322 36.8154 177.8194 107 C 4.0735 8.4883 120.0295 62.7914 31.2283 175.6902 108 S 4.3062 8.1967 115.8169 60.6029 62.1737 176.1871 109 L 3.9164 7.9357 121.6521 56.9993 41.4864 178.5316 110 L 4.1177 7.7484 117.7568 56.7563 42.0288 178.0859 111 C 4.2774 8.3777 118.0927 61.6431 32.0203 173.8270 112 D 4.3880 9.1110 116.6092 54.7982 41.0467 175.6933 113 P 4.0263 0.0000 0.0000 62.9399 27.8247 174.3232 114 N 4.6462 8.5056 121.0346 51.8151 38.4018 174.0829 115 P 4.9896 0.0000 0.0000 63.0280 31.1579 174.3079 116 D 4.6596 7.2288 115.0737 55.7562 44.6471 174.0153 117 D 4.4983 7.7707 119.8385 52.5148 42.1213 174.3389 118 P 4.5534 0.0000 0.0000 61.6996 31.9245 174.9754 119 L 4.2093 8.9626 126.1972 56.6414 42.9658 177.2723 120 V 4.2099 7.3547 117.6332 60.6923 33.4635 174.0527 121 P 4.2375 0.0000 0.0000 65.6929 31.5544 177.8981 122 E 4.3554 8.0176 114.8968 58.9386 30.2008 178.4012 123 I 3.9843 7.7729 119.1266 63.8279 37.6608 177.6911 124 A 4.1174 8.0524 121.7799 55.1178 18.0003 179.5794 125 R 3.8681 7.8677 117.0334 59.4901 29.9867 178.4661 126 I 3.8042 8.5744 113.1355 63.5746 36.9937 177.1361 127 Y 4.0315 7.7179 122.2586 59.9141 38.6482 176.4054 128 K 4.3629 7.7260 115.7613 57.1072 32.7416 176.6674 129 T 4.6413 7.3168 114.9690 64.3704 76.4400 174.9187 130 D 4.5950 7.7305 121.4180 52.8622 37.7577 176.9439 131 R 4.1018 7.7508 122.7760 59.7017 30.6359 176.8495 132 E 3.8187 8.0745 117.7926 59.4354 27.9873 179.1446 133 K 3.4882 8.3891 118.6501 59.5182 31.7520 178.6334 134 Y 4.1738 7.7195 119.1964 60.9524 38.9422 176.8561 135 N 4.0906 7.3069 117.2473 56.1155 38.6891 177.3512 136 R 3.7426 7.8027 119.3487 59.3020 30.2039 178.7557 137 I 3.5549 7.0561 118.8697 63.0827 37.4876 178.2197 138 A 4.1826 7.1420 121.1854 54.8065 18.0284 179.5682 139 R 4.2001 8.1774 117.8700 59.1127 29.8835 178.4930 140 E 3.9990 7.9231 117.8390 59.2852 29.6275 179.2293 141 W 4.8698 8.5630 120.4592 59.7537 28.9612 178.3896 142 T 3.7409 8.2537 115.8984 67.0000 67.7400 176.5376 143 Q 4.1217 7.9902 118.3247 58.6483 28.8169 178.5076 144 K 4.0828 8.2351 118.4537 58.9246 32.5593 177.5945 145 Y 4.5243 8.6214 114.2105 58.1240 40.7840 176.6807 146 A 4.2354 8.5534 120.6494 51.9141 18.1128 176.5932 147 M 4.5787 5.8600 120.3885 53.9429 32.7069 176.8644 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 8.16 4.38 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 2 A 7.89 3.87 1.04 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 3 L 7.27 3.36 0.00 1.93 2.15 0.82 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 4 K 7.07 3.45 0.00 1.76 1.76 0.00 1.28 0.00 0.00 1.53 0.00 0.00 2.96 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.27 1.40 7.81 5 R 7.17 3.82 0.00 1.03 1.80 0.00 3.08 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 6 I 7.60 3.71 1.67 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 1.43 0.31 0.25 0.00 0.00 7 H 7.84 4.15 0.00 3.27 3.26 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.25 3.98 0.00 1.76 1.81 0.00 1.68 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.57 7.81 9 E 8.08 4.25 0.00 2.03 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 10 L 8.24 3.76 0.00 0.27 1.20 -0.27 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 11 N 7.50 4.37 0.00 2.69 2.89 0.00 0.00 6.87 8.32 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 12 D 8.91 4.46 0.00 2.74 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.51 4.04 0.00 2.02 1.83 1.21 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 14 A 7.71 4.24 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 15 R 8.08 4.26 0.00 1.88 1.99 0.00 3.26 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.76 0.00 16 D 7.75 4.45 0.00 2.59 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 17 P 0.00 4.56 0.00 2.21 2.17 0.00 3.55 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 1.96 2.07 0.00 18 P 0.00 4.33 0.00 2.21 2.05 0.00 3.98 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 19 A 7.93 4.39 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 20 Q 8.75 3.40 0.00 2.40 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 21 C 7.89 4.79 0.00 3.03 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 22 S 8.41 4.66 0.00 3.68 3.78 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 23 A 8.83 5.58 1.52 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 0.00 0.00 24 G 8.64 3.77 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 0.00 0.00 0.00 25 P 0.00 4.18 0.00 2.15 2.05 0.00 3.72 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.91 0.00 26 V 8.37 3.97 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 0.85 0.00 0.00 1.06 0.00 0.00 27 G 7.88 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 0.00 0.00 0.00 28 D 8.12 4.62 0.00 2.82 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 29 D 7.25 4.39 0.00 1.58 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 0.00 0.00 0.00 30 M 8.51 4.23 0.00 2.00 2.19 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 31 F 7.56 5.62 0.00 2.90 2.43 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 32 H 8.40 5.55 0.00 3.23 3.40 0.00 5.62 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 33 W 8.83 5.36 0.00 3.46 3.08 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 34 Q 8.91 4.96 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 35 A 9.59 5.81 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 36 T 8.46 5.30 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 1.20 0.00 0.00 37 I 7.84 5.31 1.75 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 1.30 1.70 1.01 0.00 0.00 38 M 8.57 5.34 0.00 1.88 1.96 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 2.62 2.45 0.00 39 G 9.92 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 0.00 0.00 0.00 40 P 0.00 4.45 0.00 2.10 2.03 0.00 3.75 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 41 N 7.89 4.27 0.00 2.73 2.64 0.00 0.00 6.97 8.49 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 42 D 8.07 4.60 0.00 2.63 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 43 S 8.05 4.70 0.00 3.88 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 44 P 0.00 4.22 0.00 1.38 2.07 0.00 3.82 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 45 Y 7.34 5.06 0.00 3.42 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 46 Q 7.77 4.12 0.00 2.27 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 5.50 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 47 G 9.55 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 0.00 0.00 0.00 48 G 7.89 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 0.00 0.00 0.00 49 V 7.90 4.11 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 0.54 0.00 0.00 0.86 0.00 0.00 50 F 9.39 4.12 0.00 3.22 3.06 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 51 F 8.75 5.26 0.00 2.95 2.91 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 52 L 9.21 4.91 0.00 1.27 1.24 0.65 -0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 53 T 9.00 4.86 4.16 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 1.22 0.00 0.00 54 I 8.20 4.95 0.56 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 1.43 0.44 0.00 0.00 55 H 8.52 6.08 0.00 3.11 3.37 0.00 5.09 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 F 8.97 5.13 0.00 3.38 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 57 P 0.00 4.18 0.00 2.13 2.00 0.00 4.35 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.88 0.00 58 T 8.00 3.81 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 59 D 8.23 4.57 0.00 2.79 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 60 Y 8.06 4.36 0.00 2.91 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 2.97 0.00 1.92 1.68 0.00 3.65 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 1.86 1.65 0.00 62 F 8.12 4.63 0.00 3.04 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 K 9.23 4.35 0.00 2.18 1.91 0.00 1.90 0.00 0.00 1.81 0.00 0.00 3.07 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.63 1.49 7.81 64 P 0.00 3.99 0.00 1.87 1.75 0.00 3.78 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 1.63 1.05 0.00 65 P 0.00 4.33 0.00 1.91 2.00 0.00 3.32 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.44 0.00 66 K 8.20 4.24 0.00 1.84 1.51 0.00 1.61 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.42 7.81 67 V 7.86 4.15 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 0.84 0.00 0.00 0.72 0.00 0.00 68 A 8.37 5.13 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 69 F 9.32 4.40 0.00 2.92 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 70 T 9.46 3.86 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 1.10 0.00 0.00 71 T 7.96 4.17 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 72 R 7.30 3.88 0.00 0.67 1.00 0.00 2.21 0.00 0.00 2.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 73 I 7.27 4.46 1.25 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 -0.01 0.11 0.00 0.00 74 Y 8.78 4.50 0.00 3.02 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 75 H 8.43 4.48 0.00 3.14 2.99 0.00 5.68 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 P 0.00 4.26 0.00 2.26 2.07 0.00 2.31 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.76 0.00 77 N 7.93 4.69 0.00 2.84 3.05 0.00 0.00 7.22 8.08 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 78 I 7.50 4.70 1.63 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.39 0.60 0.00 0.00 79 N 8.41 4.75 0.00 2.88 2.91 0.00 0.00 6.35 7.60 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 80 S 8.51 4.16 0.00 3.91 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 81 N 7.87 4.76 0.00 2.77 2.86 0.00 0.00 6.21 6.98 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 82 G 8.67 4.07 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 0.00 0.00 0.00 83 S 8.10 4.64 0.00 3.94 3.87 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 84 I 7.67 5.00 1.91 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.13 0.99 0.00 0.00 85 C 9.00 4.40 0.00 2.91 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 86 L 8.08 4.67 0.00 1.75 1.52 0.97 1.28 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 87 D 9.11 4.48 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 88 I 7.97 3.88 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.20 1.02 0.00 0.00 89 L 8.65 4.95 0.00 1.72 1.65 0.93 1.18 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 90 R 8.16 4.67 0.00 1.93 2.04 0.00 3.00 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 91 S 9.51 4.62 0.00 3.71 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 92 Q 7.95 4.59 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 93 W 8.31 4.48 0.00 3.57 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 94 S 6.76 4.13 0.00 3.68 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 95 P 0.00 4.31 0.00 2.07 2.35 0.00 3.39 0.00 0.00 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.99 0.00 96 A 7.64 4.39 1.07 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 0.00 0.00 97 L 6.76 4.38 0.00 1.14 1.71 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 98 T 8.00 4.72 4.35 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 1.31 0.00 0.00 99 I 8.31 3.97 2.22 0.00 0.00 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 1.54 1.63 1.18 0.00 0.00 100 S 7.94 4.01 0.00 3.91 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 8.20 4.15 0.00 1.87 2.10 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.09 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.46 1.64 7.81 102 V 8.17 3.82 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 1.10 0.00 0.00 1.06 0.00 0.00 103 L 8.68 4.02 0.00 1.75 1.75 1.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 104 L 7.90 4.15 0.00 1.94 1.74 1.04 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.70 4.20 0.00 3.99 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.56 3.93 1.88 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.86 0.94 0.00 0.00 107 C 8.49 4.07 0.00 3.10 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 0.00 108 S 8.20 4.31 0.00 4.11 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 0.00 109 L 7.94 3.92 0.00 1.74 1.51 0.99 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.75 4.12 0.00 1.85 1.98 1.19 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.38 4.28 0.00 3.08 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 0.00 112 D 9.11 4.39 0.00 2.63 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 0.00 113 P 0.00 4.03 0.00 2.28 2.44 0.00 3.85 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 2.07 2.17 0.00 114 N 8.51 4.65 0.00 2.82 2.81 0.00 0.00 6.20 7.67 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 0.00 115 P 0.00 4.99 0.00 2.26 2.28 0.00 3.72 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 1.94 1.98 0.00 116 D 7.23 4.66 0.00 2.59 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 0.00 117 D 7.77 4.50 0.00 2.65 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 0.00 118 P 0.00 4.55 0.00 2.21 2.05 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 119 L 8.96 4.21 0.00 1.54 1.79 0.91 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 120 V 7.35 4.21 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 1.11 0.00 0.00 1.00 0.00 0.00 121 P 0.00 4.24 0.00 2.07 2.13 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 122 E 8.02 4.36 0.00 2.27 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 2.36 2.46 0.00 123 I 7.77 3.98 1.91 0.00 0.00 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 1.70 0.60 1.14 0.00 0.00 124 A 8.05 4.12 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 0.00 125 R 7.87 3.87 0.00 2.02 2.18 0.00 3.39 0.00 0.00 3.41 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 126 I 8.57 3.80 1.77 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.90 1.03 0.00 0.00 127 Y 7.72 4.03 0.00 3.06 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 0.00 128 K 7.73 4.36 0.00 1.99 2.08 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.79 1.44 7.81 129 T 7.32 4.64 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 1.21 0.00 0.00 130 D 7.73 4.60 0.00 2.57 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 0.00 131 R 7.75 4.10 0.00 1.88 1.91 0.00 3.21 0.00 0.00 3.30 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 132 E 8.07 3.82 0.00 1.97 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 0.00 2.50 2.29 0.00 133 K 8.39 3.49 0.00 1.86 1.20 0.00 0.85 0.00 0.00 1.15 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.42 7.81 134 Y 7.72 4.17 0.00 3.17 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 N 7.31 4.09 0.00 2.41 2.55 0.00 0.00 6.63 8.07 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 0.00 136 R 7.80 3.74 0.00 1.78 1.91 0.00 2.97 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 137 I 7.06 3.55 1.41 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.92 0.02 0.00 0.00 138 A 7.14 4.18 0.52 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 0.00 0.00 139 R 8.18 4.20 0.00 2.26 2.05 0.00 3.12 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 140 E 7.92 4.00 0.00 2.21 2.42 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 1.92 2.36 0.00 141 W 8.56 4.87 0.00 3.78 3.34 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 0.00 142 T 8.25 3.74 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 143 Q 7.99 4.12 0.00 2.33 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.66 0.00 144 K 8.24 4.08 0.00 1.88 1.29 0.00 2.03 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 3.37 0.00 0.00 0.00 0.00 1.40 1.53 7.81 145 Y 8.62 4.52 0.00 3.11 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 0.00 146 A 8.55 4.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 M 5.86 4.58 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.78 0.00