NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 21 F 4.8811 8.3249 119.4244 56.3573 40.4136 174.6608 22 P 4.2092 0.0000 0.0000 60.1126 31.5952 172.8436 23 P 3.7524 0.0000 0.0000 65.8749 31.9833 175.8227 24 G 3.8148 6.8155 106.4240 41.7486 0.0000 172.8759 25 H 4.9200 8.5110 121.2554 53.4462 32.0797 174.9166 26 F 4.3445 8.6572 121.4433 59.4760 37.6854 176.4721 27 K 4.0546 6.8866 119.4699 58.2969 32.3390 177.2181 28 D 4.4872 7.6042 118.2940 53.4720 41.2409 174.4725 29 P 4.6487 0.0000 0.0000 62.9497 32.4564 175.3058 30 K 4.8511 9.4068 120.5505 55.3824 37.4804 175.0991 31 R 5.0889 9.1238 119.8958 53.9281 33.0253 175.9657 32 L 5.0419 8.6372 122.9331 53.4001 43.4046 174.4593 33 Y 4.6716 9.1282 126.7745 57.0618 40.3083 173.4650 34 C 4.3669 8.5632 130.2127 58.0217 32.6988 174.7720 35 K 3.6226 8.5127 129.2040 57.6856 31.2238 173.2866 36 N 4.3073 7.4435 118.9873 54.5887 36.9577 174.2890 37 G 3.8514 8.3859 113.3978 43.9581 0.0000 171.5364 38 G 3.1617 7.0417 106.5914 46.3651 0.0000 173.4296 39 F 4.7742 7.4678 116.8597 55.8256 41.5640 175.1830 40 F 5.2118 9.7531 121.9292 56.1433 40.8694 175.1169 41 L 4.6607 9.3576 126.2805 55.2678 43.1999 175.4871 42 R 4.8945 9.7250 127.4669 54.5500 33.2347 174.1949 43 I 4.5435 8.5423 127.2421 59.7229 38.9082 175.4391 44 H 4.3509 9.1944 125.6022 54.5920 29.3406 175.3339 45 P 4.1783 0.0000 0.0000 65.5769 31.2547 177.0515 46 D 4.5998 8.0761 115.1546 53.1657 39.6970 177.2408 47 G 4.1290 8.4531 109.6588 45.6203 0.0000 174.2269 48 R 4.3478 7.5052 119.5065 56.0117 30.7053 175.7558 49 V 4.9391 7.9911 120.6501 61.2900 34.5412 174.5439 50 D 4.6691 8.4451 124.7162 53.2713 43.1008 174.3091 51 G 4.6015 8.6821 104.5109 45.3552 0.0000 172.4402 52 V 5.0157 8.9914 113.7460 60.0293 36.2208 176.3615 53 R 3.8467 8.8049 119.2438 56.9468 31.2692 176.6026 54 E 4.1611 8.3152 121.0481 56.0642 28.6355 177.4700 55 K 3.5115 8.7849 129.2232 57.1729 31.8363 175.9329 56 S 4.2415 8.2431 111.0486 60.4313 63.3488 174.2524 57 D 4.3187 8.1644 122.1921 54.2055 41.0349 175.4910 58 P 4.1024 0.0000 0.0000 65.2073 31.8359 176.3864 59 H 5.0226 9.6279 117.0245 54.9722 28.6631 176.0780 60 I 4.4859 7.2745 113.7289 60.1427 38.5545 175.5382 61 K 4.2399 7.8159 126.3434 55.0821 32.4959 181.1588 62 L 5.2003 9.3001 125.8419 51.8740 45.7882 175.6526 63 Q 4.6625 8.8954 122.2372 54.4488 31.3702 174.3161 64 L 5.0111 8.5520 126.7005 54.1464 43.4318 176.3302 65 Q 4.6424 8.7269 122.5118 54.5120 32.7061 173.7860 66 A 4.6672 8.8446 129.7955 52.0851 19.2618 176.5892 67 E 4.2901 8.8797 123.9545 57.4624 30.5567 175.2821 68 E 4.6006 7.6579 114.4118 54.8756 31.7940 174.3517 69 R 3.8535 8.6905 119.0524 58.1944 30.2197 176.5079 70 G 4.0165 8.9955 111.1547 45.9464 0.0000 172.3937 71 V 4.9015 7.8752 120.3403 61.1530 34.2402 174.8923 72 V 5.4089 9.1283 119.9328 59.9683 36.8948 174.1110 73 S 5.5372 9.0554 115.6769 55.9501 66.4303 173.4114 74 I 4.7218 8.3278 121.1677 59.6485 40.3216 173.9763 75 K 4.4897 8.7202 129.5558 54.0656 34.5574 175.3563 76 G 3.8032 8.8074 115.9176 46.1215 0.0000 174.1271 77 V 3.5734 8.5138 127.3644 65.9793 31.7048 177.4643 78 S 4.1255 7.9573 113.4873 61.2620 62.9741 176.0433 79 A 3.9347 8.1143 124.7311 52.5461 18.1837 176.6386 80 N 4.1176 7.7632 112.5814 54.7815 38.1869 173.6087 81 R 4.9088 7.5021 112.0015 54.2271 34.9982 174.0441 82 Y 4.9178 9.0056 118.8747 55.9487 40.4782 175.3473 83 L 4.5555 9.1415 126.3856 55.6174 43.4801 175.5871 84 A 5.7286 9.2002 125.9530 50.7975 23.2844 174.6363 85 M 5.1072 8.7645 122.6327 54.2887 34.3674 176.5328 86 K 4.7568 9.1113 130.0475 53.7758 32.9962 174.7998 87 E 3.3893 9.1321 114.1951 60.1876 29.3691 178.8799 88 D 4.4993 8.0471 117.2467 54.4994 39.8747 177.0816 89 G 3.8011 8.9257 110.6979 45.3663 0.0000 174.3177 90 R 4.3749 8.5873 120.8390 56.7107 30.7974 180.7161 91 L 5.1958 6.5876 120.7043 52.9573 43.9346 175.6477 92 L 4.7156 8.8182 122.1236 54.8554 44.8427 173.8001 93 A 5.2694 9.2272 121.2610 50.2328 21.2892 175.6013 94 S 4.7790 8.9672 120.3531 57.4410 65.0327 176.7075 95 K 4.1398 8.9211 123.6889 56.5843 31.8938 177.4430 96 S 4.7912 7.6894 112.3112 55.8101 64.9540 174.0058 97 V 3.1648 8.0660 124.4339 63.1190 31.6063 174.8105 98 T 4.7079 7.8117 116.3959 59.6449 71.6947 173.6006 99 D 4.8141 8.6167 118.8431 54.7281 39.2534 176.3301 100 E 4.1740 8.0542 119.3595 56.7342 29.8004 176.1682 101 C 5.0931 7.2467 115.9140 58.5242 29.6035 172.7969 102 F 5.1691 7.0712 117.9157 55.6509 41.8229 174.3166 103 F 5.2306 9.1308 120.5686 55.6034 43.7706 173.9867 104 F 4.8175 9.6999 122.3642 57.5009 39.8697 173.9738 105 E 4.8198 9.3363 126.2198 54.8493 30.8941 175.1875 106 R 4.5666 8.4260 126.3941 54.5609 33.8396 173.7194 107 L 4.9711 8.5837 128.5805 53.5302 42.0790 175.7586 108 E 4.3154 9.0739 126.8245 55.5325 30.2043 178.7220 109 S 4.1103 8.5989 114.8117 61.1806 62.9014 174.9063 110 N 4.6396 8.1719 116.0967 52.5735 37.4720 174.6020 111 N 4.3116 8.3862 115.3117 54.7866 36.5338 173.2701 112 Y 4.8298 8.0571 114.4360 56.4273 41.7685 174.5776 113 N 5.5982 9.9001 119.5000 52.1754 41.5729 174.3600 114 T 5.1500 8.5349 110.8565 60.2453 72.8839 172.6683 115 Y 4.7915 8.8500 120.2725 56.5657 41.0699 173.9254 116 R 4.9724 8.9635 126.0614 54.3550 31.8886 175.5014 117 S 4.3339 9.2000 121.7982 59.3475 62.7850 175.0532 118 R 3.8570 8.2828 127.2701 59.0872 30.0307 178.1389 119 K 3.8069 7.7563 117.5979 59.1051 32.4669 177.7663 120 Y 4.4263 7.1325 121.5909 55.9559 36.3556 176.5871 121 T 4.2085 7.9390 109.6500 62.3954 68.9238 175.5395 122 S 4.6274 7.6164 116.0895 58.0988 64.6920 173.4434 123 W 5.3489 8.1187 121.6794 55.5505 30.8898 174.9519 124 Y 5.4504 8.9691 121.4882 56.0929 40.0638 175.7582 125 V 4.0683 9.2963 122.7968 63.2025 32.9717 174.9084 126 A 4.9725 8.5128 127.3492 51.3821 23.0021 174.4243 127 L 5.0997 8.5082 120.8371 53.4759 45.3493 178.3925 128 K 4.1640 9.7366 127.9512 54.6187 32.3369 177.2933 129 R 4.2560 8.3884 117.4411 59.3010 29.3856 179.0606 130 T 4.1216 7.5196 104.9998 63.0380 69.5203 175.5900 131 G 2.7726 7.3260 109.7336 44.5279 0.0000 173.1707 132 Q 4.7191 7.1350 118.3260 54.2329 30.9615 175.0771 133 Y 4.8145 8.2629 122.3115 57.7445 39.3822 175.4858 134 K 4.7125 8.3978 122.8494 52.9175 34.6514 176.2410 135 L 4.1427 8.9092 124.6988 54.3202 42.4257 178.4476 136 G 3.7957 8.8751 113.0883 48.7138 0.0000 175.7368 137 S 3.1364 6.5042 112.6711 59.6422 62.9135 174.8677 138 K 4.4076 8.0297 119.7738 56.1104 32.1011 175.8382 139 T 5.1798 6.9994 108.9511 59.6811 71.0730 173.9307 140 G 4.4018 8.1764 109.5152 43.5591 0.0000 172.0942 141 P 3.9502 0.0000 0.0000 65.6533 30.9978 178.0083 142 G 3.6667 7.9294 105.6693 47.0900 0.0000 173.7038 143 Q 4.0862 7.7556 119.4864 56.2223 29.0834 176.9041 144 K 4.1576 8.2570 118.4845 56.7179 33.3774 177.9528 145 A 4.1129 7.7928 121.1607 54.4883 18.5782 178.3766 146 I 4.5037 7.3452 106.5341 60.0973 38.3886 175.1582 147 L 4.6524 7.1547 121.9234 53.9565 42.7577 175.5925 148 F 5.5680 9.5452 122.9931 55.6525 42.9896 174.1168 149 L 5.2992 9.8415 125.8148 52.5375 44.1408 173.7639 150 P 5.1166 0.0000 0.0000 63.3463 32.3003 175.5287 151 M 5.0205 9.2778 121.6261 53.2449 36.6680 174.8356 152 S 4.4829 8.7533 114.8977 57.8094 63.5262 173.5904 153 A 4.3032 8.3595 128.9281 53.0548 18.7583 178.3932 154 K 4.1723 7.5212 126.7503 55.7765 32.2448 177.2052 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 21 F 8.32 4.88 0.00 3.11 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 22 P 0.00 4.21 0.00 2.20 2.05 0.00 3.97 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 23 P 0.00 3.75 0.00 2.19 2.05 0.00 3.83 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 24 G 6.82 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.51 4.92 0.00 3.12 3.20 0.00 5.89 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.66 4.34 0.00 3.12 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 27 K 6.89 4.05 0.00 1.41 1.75 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.42 0.00 0.00 2.35 0.00 0.00 0.00 0.00 1.31 0.84 7.81 28 D 7.60 4.49 0.00 2.81 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 P 0.00 4.65 0.00 1.90 2.00 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.24 0.00 30 K 9.41 4.85 0.00 1.64 1.82 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.62 7.81 31 R 9.12 5.09 0.00 1.81 1.93 0.00 2.23 0.00 0.00 2.50 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 0.00 32 L 8.64 5.04 0.00 1.59 1.68 0.33 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 33 Y 9.13 4.67 0.00 3.11 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 34 C 8.56 4.37 0.00 2.48 2.58 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 0.00 0.00 0.00 0.00 35 K 8.51 3.62 0.00 1.79 1.74 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.40 1.28 7.81 36 N 7.44 4.31 0.00 2.73 2.68 0.00 0.00 7.11 7.98 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 37 G 8.39 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 38 G 7.04 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 0.00 0.00 0.00 39 F 7.47 4.77 0.00 2.94 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 40 F 9.75 5.21 0.00 3.08 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 41 L 9.36 4.66 0.00 1.96 1.62 0.96 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 42 R 9.73 4.89 0.00 1.89 2.05 0.00 2.98 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.61 0.00 43 I 8.54 4.54 1.82 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 1.18 0.73 0.87 0.00 0.00 44 H 9.19 4.35 0.00 3.37 3.30 0.00 5.63 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.18 0.00 2.02 2.12 0.00 3.58 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 1.96 2.03 0.00 46 D 8.08 4.60 0.00 2.78 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 47 G 8.45 4.13 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 0.00 0.00 0.00 48 R 7.51 4.35 0.00 2.03 1.92 0.00 3.01 0.00 0.00 3.07 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 49 V 7.99 4.94 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 0.88 0.00 0.00 0.91 0.00 0.00 50 D 8.45 4.67 0.00 2.93 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.68 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.99 5.02 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 0.91 0.00 0.00 1.14 0.00 0.00 53 R 8.80 3.85 0.00 1.83 1.99 0.00 3.11 0.00 0.00 3.02 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.41 0.00 54 E 8.32 4.16 0.00 2.11 1.95 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 2.41 2.53 0.00 55 K 8.78 3.51 0.00 1.81 1.74 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.02 7.81 56 S 8.24 4.24 0.00 3.97 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 57 D 8.16 4.32 0.00 2.80 2.67 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 58 P 0.00 4.10 0.00 2.03 2.07 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 59 H 9.63 5.02 0.00 3.21 3.47 0.00 5.58 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.27 4.49 1.91 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.19 0.97 0.00 0.00 61 K 7.82 4.24 0.00 1.47 1.75 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.78 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.04 7.81 62 L 9.30 5.20 0.00 1.51 1.46 0.87 0.66 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 63 Q 8.90 4.66 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.90 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 64 L 8.55 5.01 0.00 1.64 1.65 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 8.73 4.64 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.02 0.00 0.00 0.00 0.00 0.00 2.35 2.46 0.00 66 A 8.84 4.67 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 67 E 8.88 4.29 0.00 1.95 1.71 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 1.47 1.94 0.00 68 E 7.66 4.60 0.00 2.06 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 2.06 2.17 0.00 69 R 8.69 3.85 0.00 1.78 1.93 0.00 3.37 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 70 G 9.00 4.02 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 0.00 0.00 0.00 71 V 7.88 4.90 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.81 0.00 0.00 72 V 9.13 5.41 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 0.84 0.00 0.00 1.19 0.00 0.00 73 S 9.06 5.54 0.00 3.91 4.02 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 74 I 8.33 4.72 1.67 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.73 0.67 0.00 0.00 75 K 8.72 4.49 0.00 1.31 1.39 0.00 0.67 0.00 0.00 1.36 0.00 0.00 2.69 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.91 0.39 7.81 76 G 8.81 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 77 V 8.51 3.57 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 0.76 0.00 0.00 0.87 0.00 0.00 78 S 7.96 4.13 0.00 4.08 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.11 3.93 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 80 N 7.76 4.12 0.00 2.86 2.82 0.00 0.00 6.96 6.99 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 81 R 7.50 4.91 0.00 1.71 1.72 0.00 3.31 0.00 0.00 3.62 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.86 0.00 82 Y 9.01 4.92 0.00 2.84 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 83 L 9.14 4.56 0.00 1.61 1.49 0.80 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 84 A 9.20 5.73 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 85 M 8.76 5.11 0.00 2.28 2.34 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.96 0.00 86 K 9.11 4.76 0.00 1.74 1.68 0.00 1.89 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.21 7.81 87 E 9.13 3.39 0.00 1.97 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 1.91 0.00 88 D 8.05 4.50 0.00 2.78 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 89 G 8.93 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 90 R 8.59 4.37 0.00 1.52 1.82 0.00 3.23 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.48 0.00 91 L 6.59 5.20 0.00 0.51 1.29 0.86 1.00 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 92 L 8.82 4.72 0.00 1.84 1.73 0.94 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 93 A 9.23 5.27 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 94 S 8.97 4.78 0.00 3.94 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.92 4.14 0.00 1.80 1.77 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.00 7.81 96 S 7.69 4.79 0.00 3.90 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 97 V 8.07 3.16 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 0.54 0.00 0.00 -0.50 0.00 0.00 98 T 7.81 4.71 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 1.20 0.00 0.00 99 D 8.62 4.81 0.00 2.76 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.05 4.17 0.00 1.98 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 2.07 2.17 0.00 101 C 7.25 5.09 0.00 2.14 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 0.00 0.00 0.00 102 F 7.07 5.17 0.00 2.65 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 9.13 5.23 0.00 3.09 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 0.00 104 F 9.70 4.82 0.00 3.08 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.34 4.82 0.00 2.20 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.11 0.00 106 R 8.43 4.57 0.00 2.00 1.73 0.00 3.20 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.61 0.00 107 L 8.58 4.97 0.00 1.70 1.62 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 108 E 9.07 4.32 0.00 2.42 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 0.00 2.48 2.41 0.00 109 S 8.60 4.11 0.00 3.99 4.03 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 0.00 110 N 8.17 4.64 0.00 3.04 3.05 0.00 0.00 6.11 8.04 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 0.00 111 N 8.39 4.31 0.00 2.80 2.88 0.00 0.00 6.73 8.30 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 0.00 112 Y 8.06 4.83 0.00 3.11 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 N 9.90 5.60 0.00 2.97 2.46 0.00 0.00 6.86 6.93 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 0.00 114 T 8.53 5.15 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 1.23 0.00 0.00 115 Y 8.85 4.79 0.00 2.83 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 0.00 116 R 8.96 4.97 0.00 1.94 2.01 0.00 3.02 0.00 0.00 2.62 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.02 0.00 117 S 9.20 4.33 0.00 4.11 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 0.00 118 R 8.28 3.86 0.00 1.21 1.59 0.00 3.01 0.00 0.00 2.66 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.88 0.00 119 K 7.76 3.81 0.00 0.85 0.74 0.00 2.10 0.00 0.00 1.33 0.00 0.00 2.71 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.17 1.37 7.81 120 Y 7.13 4.43 0.00 2.64 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 T 7.94 4.21 4.21 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 1.33 0.00 0.00 122 S 7.62 4.63 0.00 3.87 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 0.00 123 W 8.12 5.35 0.00 3.45 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 0.00 124 Y 8.97 5.45 0.00 2.96 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 0.00 125 V 9.30 4.07 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 0.72 0.00 0.00 0.44 0.00 0.00 126 A 8.51 4.97 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 8.51 5.10 0.00 1.40 1.35 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 128 K 9.74 4.16 0.00 1.53 1.68 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.25 7.81 129 R 8.39 4.26 0.00 1.82 1.88 0.00 3.23 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 130 T 7.52 4.12 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 1.16 0.00 0.00 131 G 7.33 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 0.00 0.00 0.00 132 Q 7.13 4.72 0.00 1.85 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.14 2.26 0.00 133 Y 8.26 4.81 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.40 4.71 0.00 1.52 1.59 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.27 1.25 7.81 135 L 8.91 4.14 0.00 1.60 1.43 0.86 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 136 G 8.88 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 0.00 0.00 0.00 137 S 6.50 3.14 0.00 3.66 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 0.00 138 K 8.03 4.41 0.00 1.73 1.80 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.21 7.81 139 T 7.00 5.18 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 140 G 8.18 4.40 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 0.00 141 P 0.00 3.95 0.00 2.22 2.36 0.00 3.92 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 2.06 2.11 0.00 142 G 7.93 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 0.00 0.00 0.00 143 Q 7.76 4.09 0.00 2.26 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.57 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 144 K 8.26 4.16 0.00 1.65 1.67 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.25 1.21 7.81 145 A 7.79 4.11 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.35 4.50 1.77 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.03 0.92 0.00 0.00 147 L 7.15 4.65 0.00 1.21 1.10 0.55 0.92 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 0.00 148 F 9.55 5.57 0.00 3.32 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 0.00 149 L 9.84 5.30 0.00 2.06 1.86 0.68 -0.27 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 0.00 150 P 0.00 5.12 0.00 2.23 2.21 0.00 3.89 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 151 M 9.28 5.02 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.50 0.00 152 S 8.75 4.48 0.00 3.89 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 0.00 153 A 8.36 4.30 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 0.00 154 K 7.52 4.17 0.00 1.96 1.63 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.30 1.23 7.81