NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 K 4.2906 8.3101 120.1341 55.8076 33.8837 174.9843 14 A 3.8662 9.0934 128.8573 52.6681 17.4660 176.3710 15 K 4.6704 8.5109 114.9724 53.0034 36.6966 175.5474 16 T 4.0748 7.7772 113.2270 61.8044 70.6466 176.0775 17 R 4.0027 8.5837 121.7160 59.5117 29.4929 179.6030 18 S 4.2153 8.0609 115.0900 61.4731 62.7730 176.5928 19 S 4.5260 8.0855 116.8200 61.2898 62.6177 176.6734 20 R 3.8808 7.8141 120.6733 59.1210 30.0152 178.6014 21 A 4.2370 8.2602 118.5353 52.7874 18.5203 177.8572 22 G 3.8041 7.8564 104.9774 46.2977 0.0000 173.3272 23 L 4.8929 8.9850 118.0185 52.8255 44.7287 176.8584 24 Q 4.4572 9.7227 118.5688 56.1149 29.5176 176.1394 25 F 4.3920 8.1525 117.3990 55.4060 40.4474 175.0733 26 P 4.4800 0.0000 0.0000 62.1802 30.3144 177.0378 27 V 3.7491 8.4790 125.4553 66.6693 31.6006 177.6789 28 G 3.6882 8.1410 104.6294 47.8575 0.0000 175.3734 29 R 3.9344 7.9616 120.5879 59.1130 30.2239 178.5894 30 V 3.6172 7.9719 118.0645 66.2209 31.4506 177.2740 31 H 4.0614 8.6245 118.3921 59.4828 29.6754 177.1575 32 R 3.9724 8.2139 120.3062 59.5075 29.7144 178.4974 33 L 4.1328 8.1185 118.0109 57.5138 41.8608 179.2219 34 L 4.4201 8.1501 119.2145 57.8748 41.4578 179.7100 35 R 3.9353 7.8755 117.8384 59.2660 30.0616 178.8123 36 K 4.2528 7.9313 113.8733 57.8251 32.8956 178.1675 37 G 3.2205 7.7020 108.6799 46.4739 0.0000 173.4198 38 N 4.0996 7.2975 116.0844 54.5678 36.4205 175.0297 39 Y 4.4206 7.9139 115.9741 60.1891 38.7830 175.9829 40 A 4.6432 7.5495 119.7212 50.5897 22.2144 176.1965 41 E 3.9579 8.9225 120.6036 58.8560 29.6441 176.7691 42 R 4.7197 7.2504 111.6895 54.4770 34.2188 174.7056 43 V 4.2278 8.1098 117.9939 61.3465 33.4732 174.5805 44 G 3.8077 8.6949 116.4130 45.5140 0.0000 173.5845 45 A 4.1283 8.7048 124.3631 55.0191 18.7485 180.3541 46 G 3.7583 8.1263 101.8067 47.3214 0.0000 175.7083 47 A 4.0170 7.6428 122.2775 54.6903 18.4864 177.8873 48 P 4.3047 0.0000 0.0000 65.2758 31.5381 178.8686 49 V 3.5662 7.7543 118.2877 66.1288 31.6456 176.7478 50 Y 3.9065 8.2042 119.4280 60.8815 38.5188 178.1563 51 L 4.0407 8.2921 120.7758 58.1187 42.2137 178.7247 52 A 3.9970 8.2729 120.5822 55.0432 18.3225 179.4833 53 A 3.8760 8.0916 119.3249 55.1681 18.4011 180.0035 54 V 3.5416 7.8748 116.7225 66.2936 31.6735 178.3165 55 L 3.8353 8.0018 118.8355 57.4876 41.3204 179.2533 56 E 3.0441 7.5938 119.2965 58.9235 29.5689 177.9470 57 Y 4.0672 8.3367 119.8965 60.9994 38.9081 178.3935 58 L 3.6458 8.0141 119.6463 57.8478 41.6503 179.6962 59 T 3.8341 7.8133 115.6332 66.4276 68.3535 176.5418 60 A 3.9432 7.9650 122.7642 54.9868 18.3981 179.2477 61 E 3.6949 7.7027 117.7559 59.4876 29.6194 179.2308 62 I 3.6834 7.4299 119.2528 64.3555 37.1151 178.4952 63 L 3.9842 7.9990 119.8996 57.4727 41.4062 178.8689 64 E 3.8887 8.5356 119.7935 59.6439 29.5695 179.1531 65 L 3.9914 7.8780 118.4276 57.6837 41.4782 179.3936 66 A 4.1886 8.3309 120.3955 54.5589 18.5194 179.8054 67 G 3.6238 8.3499 105.0933 48.2158 0.0000 175.4380 68 N 4.2506 8.2367 119.6409 56.1243 38.1814 177.3484 69 A 4.0590 8.1068 121.2999 54.6680 18.4024 179.4666 70 A 3.6051 7.9555 119.7979 54.8170 18.4405 179.5512 71 R 3.7429 7.8650 116.8266 59.8370 30.0787 178.1722 72 D 3.8712 7.8137 117.7272 57.0436 41.0434 177.6159 73 N 4.7736 7.5256 113.7128 52.1986 38.7612 174.7017 74 K 3.9178 8.7283 117.2633 57.7171 29.9792 175.5125 75 K 4.7574 8.5145 116.1899 54.9311 35.7425 176.7256 76 T 4.4174 8.4364 108.6787 61.1311 70.2661 173.7366 77 R 4.4587 7.7221 122.8851 54.2145 31.2517 175.4315 78 I 3.9131 8.4270 127.1517 61.3920 37.7450 175.3022 79 I 4.6375 8.3498 117.5183 57.7018 40.8289 174.4574 80 P 4.1946 0.0000 0.0000 66.0074 30.9837 178.4737 81 R 3.8193 8.0398 116.6620 60.2419 29.8025 177.8497 82 H 4.3042 7.9906 115.4746 58.8449 28.6028 177.8681 83 L 4.0446 8.1580 121.1326 57.6373 41.3620 179.2769 84 Q 3.9525 7.9850 119.2216 59.1676 29.1090 178.1273 85 L 3.9935 8.0657 119.9252 57.3902 41.4061 179.2137 86 A 3.9311 7.8872 120.0178 55.1692 18.6814 179.5613 87 V 3.6680 7.8779 116.5526 66.4184 31.5065 178.5251 88 R 4.0839 7.9891 115.8383 58.4800 30.0204 177.7900 89 N 4.7682 7.9202 114.2777 52.4987 39.1293 174.0455 90 D 4.8328 7.4547 121.4077 52.0005 42.9740 175.8060 91 E 3.9345 9.0650 127.5325 59.7470 29.5922 178.6836 92 E 4.0021 8.1317 117.7372 59.4318 29.7648 179.1319 93 L 4.0280 9.1913 119.8521 57.7150 41.3926 179.0932 94 N 4.3436 8.1172 116.4653 56.2496 39.1874 176.6907 95 K 4.0733 7.8517 121.3826 59.3458 32.1836 178.3797 96 L 4.0191 7.6105 119.2564 57.4895 42.0961 178.1208 97 L 4.8279 7.8370 117.5600 54.3810 42.5077 178.8663 98 G 3.6917 7.9208 111.0521 47.9870 0.0000 175.4283 99 R 4.5979 7.8770 117.4651 55.7221 30.7414 175.4675 100 V 4.3845 7.6022 117.1400 61.2330 33.6557 174.8170 101 T 4.4593 8.3433 122.6967 61.8014 70.0285 173.9743 102 I 4.0981 8.1981 127.7126 59.6611 37.7610 175.3938 103 A 4.0565 8.5261 128.9188 53.5772 18.7345 176.3553 104 Q 3.4897 8.6736 118.4122 56.8935 26.5159 175.3306 105 G 3.6931 7.8998 107.9128 45.3843 0.0000 176.6142 106 G 3.8342 7.9872 107.7508 45.4214 0.0000 172.2876 107 V 4.5539 7.9395 111.8830 59.0750 35.6578 174.9604 108 L 4.1898 8.1955 120.7322 53.6087 42.0954 175.5144 109 P 4.1703 0.0000 0.0000 63.1457 31.3475 175.9882 110 N 4.6614 8.4968 122.2670 52.7806 40.8312 173.2755 111 I 4.4823 8.1113 126.7597 58.9913 39.7771 175.7261 112 Q 4.0722 8.6775 124.6144 55.9913 29.2596 177.6088 113 S 4.1133 8.9520 117.9879 61.3691 63.0189 176.7728 114 V 3.6418 7.7953 118.7538 63.5455 31.0138 176.3860 115 L 4.3967 7.7658 119.3601 54.8129 41.9956 176.6871 116 L 4.3190 7.7173 119.8916 53.0798 42.4092 175.0179 117 P 4.1817 0.0000 0.0000 63.7380 32.0068 176.4785 118 K 4.2003 8.5743 118.5265 57.5330 33.4829 175.5287 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 13 K 8.31 4.29 0.00 1.76 1.86 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.45 7.81 14 A 9.09 3.87 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.51 4.67 0.00 1.73 1.71 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.33 7.81 16 T 7.78 4.07 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 1.21 0.00 0.00 17 R 8.58 4.00 0.00 1.90 2.06 0.00 3.16 0.00 0.00 3.36 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 18 S 8.06 4.22 0.00 3.89 4.09 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 19 S 8.09 4.53 0.00 4.10 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 20 R 7.81 3.88 0.00 1.97 2.05 0.00 3.17 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 21 A 8.26 4.24 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 22 G 7.86 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 23 L 8.98 4.89 0.00 1.68 1.84 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 9.72 4.46 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 25 F 8.15 4.39 0.00 3.10 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 P 0.00 4.48 0.00 2.26 2.19 0.00 3.60 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.90 0.00 27 V 8.48 3.75 2.13 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 1.13 0.00 0.00 1.05 0.00 0.00 28 G 8.14 3.69 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 0.00 0.00 0.00 29 R 7.96 3.93 0.00 1.90 2.15 0.00 3.18 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 30 V 7.97 3.62 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 0.99 0.00 0.00 1.12 0.00 0.00 31 H 8.62 4.06 0.00 3.38 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.21 3.97 0.00 1.96 2.09 0.00 3.17 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 1.66 1.70 0.00 33 L 8.12 4.13 0.00 1.92 1.82 0.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.15 4.42 0.00 1.93 1.79 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.88 3.94 0.00 1.88 2.01 0.00 3.18 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 36 K 7.93 4.25 0.00 1.88 1.94 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.37 7.81 37 G 7.70 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.30 4.10 0.00 2.64 2.79 0.00 0.00 6.99 7.35 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 39 Y 7.91 4.42 0.00 2.99 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 40 A 7.55 4.64 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 41 E 8.92 3.96 0.00 1.94 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 2.30 2.35 0.00 42 R 7.25 4.72 0.00 1.85 1.80 0.00 3.20 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 43 V 8.11 4.23 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.95 0.00 0.00 44 G 8.69 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 45 A 8.70 4.13 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 46 G 8.13 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 47 A 7.64 4.02 1.36 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 0.00 0.00 48 P 0.00 4.30 0.00 2.33 2.31 0.00 3.75 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.98 0.00 49 V 7.75 3.57 2.34 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 1.03 0.00 0.00 0.97 0.00 0.00 50 Y 8.20 3.91 0.00 3.28 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 51 L 8.29 4.04 0.00 1.90 1.74 0.91 0.87 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 52 A 8.27 4.00 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 53 A 8.09 3.88 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 54 V 7.87 3.54 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 1.08 0.00 0.00 1.16 0.00 0.00 55 L 8.00 3.84 0.00 1.41 1.40 0.99 0.98 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 56 E 7.59 3.04 0.00 1.74 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 2.31 2.47 0.00 57 Y 8.34 4.07 0.00 3.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.01 3.65 0.00 1.65 1.62 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.81 3.83 4.39 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 1.32 0.00 0.00 60 A 7.97 3.94 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 7.70 3.69 0.00 1.55 1.81 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 2.17 2.29 0.00 62 I 7.43 3.68 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.63 0.90 0.00 0.00 63 L 8.00 3.98 0.00 1.68 1.71 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.54 3.89 0.00 2.05 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 0.00 2.29 2.39 0.00 65 L 7.88 3.99 0.00 1.73 1.68 0.96 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.33 4.19 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 67 G 8.35 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 68 N 8.24 4.25 0.00 2.93 2.90 0.00 0.00 7.01 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 69 A 8.11 4.06 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 70 A 7.96 3.61 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 71 R 7.86 3.74 0.00 1.87 1.99 0.00 3.20 0.00 0.00 3.33 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 72 D 7.81 3.87 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 73 N 7.53 4.77 0.00 2.54 2.85 0.00 0.00 7.02 7.49 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 74 K 8.73 3.92 0.00 1.85 1.90 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.54 7.81 75 K 8.51 4.76 0.00 1.70 1.66 0.00 1.76 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.58 7.81 76 T 8.44 4.42 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 1.20 0.00 0.00 77 R 7.72 4.46 0.00 1.78 1.88 0.00 3.25 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 78 I 8.43 3.91 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.64 0.95 0.00 0.00 79 I 8.35 4.64 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.66 0.97 0.00 0.00 80 P 0.00 4.19 0.00 2.31 2.30 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 81 R 8.04 3.82 0.00 1.84 1.79 0.00 3.25 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 82 H 7.99 4.30 0.00 3.37 3.47 0.00 5.69 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 83 L 8.16 4.04 0.00 1.83 1.72 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 7.98 3.95 0.00 2.15 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 85 L 8.07 3.99 0.00 1.77 1.71 0.95 1.05 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 86 A 7.89 3.93 1.36 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 0.00 0.00 87 V 7.88 3.67 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 1.02 0.00 0.00 0.96 0.00 0.00 88 R 7.99 4.08 0.00 1.86 1.98 0.00 3.39 0.00 0.00 3.32 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.81 0.00 89 N 7.92 4.77 0.00 2.86 2.85 0.00 0.00 6.74 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 90 D 7.45 4.83 0.00 2.79 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 E 9.07 3.93 0.00 2.07 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 2.39 2.42 0.00 92 E 8.13 4.00 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 93 L 9.19 4.03 0.00 1.69 1.71 0.89 -0.03 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 94 N 8.12 4.34 0.00 2.95 3.08 0.00 0.00 7.18 6.30 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 95 K 7.85 4.07 0.00 1.82 1.92 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 96 L 7.61 4.02 0.00 1.69 1.89 0.93 1.02 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 97 L 7.84 4.83 0.00 1.80 1.61 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 98 G 7.92 3.69 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 0.00 0.00 0.00 99 R 7.88 4.60 0.00 1.79 1.92 0.00 3.33 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 100 V 7.60 4.38 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 0.80 0.00 0.00 0.94 0.00 0.00 101 T 8.34 4.46 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 1.21 0.00 0.00 102 I 8.20 4.10 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.81 0.91 0.00 0.00 103 A 8.53 4.06 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 0.00 104 Q 8.67 3.49 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.96 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 105 G 7.90 3.69 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 0.00 0.00 0.00 106 G 7.99 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.94 4.55 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.93 0.00 0.00 108 L 8.20 4.19 0.00 1.64 1.59 0.92 1.01 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 0.00 109 P 0.00 4.17 0.00 2.04 2.03 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 110 N 8.50 4.66 0.00 2.63 2.66 0.00 0.00 7.05 7.94 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 0.00 111 I 8.11 4.48 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.79 0.91 0.00 0.00 112 Q 8.68 4.07 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.87 0.00 0.00 0.00 0.00 0.00 2.45 2.30 0.00 113 S 8.95 4.11 0.00 4.00 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 0.00 114 V 7.80 3.64 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.93 0.00 0.00 115 L 7.77 4.40 0.00 1.78 1.74 0.92 1.01 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 0.00 116 L 7.72 4.32 0.00 1.75 1.59 0.92 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.18 0.00 2.03 2.02 0.00 3.80 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 2.04 2.11 0.00 118 K 8.57 4.20 0.00 2.03 1.89 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.42 7.81