NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2204 8.1633 120.2930 54.6854 33.1561 174.2444 2 K 3.9367 8.5191 126.4002 56.2328 32.5142 175.7856 3 G 3.9449 8.5623 113.8179 44.9371 0.0000 171.7564 4 D 4.6405 8.4468 119.3509 54.1292 41.9996 177.1063 5 T 3.8560 8.8891 122.8808 66.9015 68.5110 176.6118 6 K 3.8053 8.1663 120.8542 59.2580 32.2343 178.8130 7 V 3.9039 8.5932 118.8562 66.0967 31.4808 178.0535 8 I 3.7499 7.8129 119.4836 64.5173 36.8839 178.0570 9 N 4.2570 8.2984 117.3413 56.4715 38.3217 176.9317 10 Y 4.1120 8.0252 118.0059 61.1431 38.0387 178.5743 11 L 3.8593 8.4630 120.0459 58.1200 41.7263 179.3423 12 N 4.2561 8.6420 116.4341 56.1783 38.5418 177.3827 13 K 3.8520 8.1653 121.0590 59.4503 32.3801 178.7359 14 L 3.8167 8.1058 119.6091 57.6523 41.4088 178.9680 15 L 3.9645 7.8417 120.5773 58.4629 41.7716 179.2071 16 G 3.6890 8.2560 105.4782 48.0068 0.0000 175.3250 17 N 4.3580 7.9475 118.2842 56.2703 38.6327 177.4170 18 E 4.1125 8.3099 120.2567 59.2752 29.5010 179.3685 19 L 4.3698 8.4007 120.1969 58.2914 40.3890 179.7537 20 V 3.5814 7.7014 120.4917 64.5559 31.4187 178.1309 21 A 3.7901 7.9601 121.4516 54.8919 18.2941 179.5654 22 I 3.7629 8.2983 118.5742 64.7345 37.1289 178.5125 23 N 4.3820 7.7511 116.6561 56.3316 38.3926 177.3440 24 Q 3.8302 8.2807 121.2558 59.4034 29.0966 178.0446 25 Y 4.3515 8.2819 118.1284 60.9023 37.9376 178.0355 26 F 3.8525 8.3388 121.4647 61.1039 39.4993 176.6151 27 L 3.9369 8.2533 120.1238 58.7050 41.8346 178.3721 28 H 3.7466 8.2894 115.8222 58.8759 28.6308 177.1857 29 A 4.1502 8.4187 122.4976 55.7242 18.1388 179.9921 30 R 3.8328 7.7760 115.5615 58.7484 30.0831 179.3211 31 M 3.4431 7.7432 119.3209 58.1307 31.8774 178.5175 32 F 4.5200 7.6882 118.2073 60.4778 39.1456 177.5298 33 K 3.8583 8.3731 119.5194 59.6052 31.7770 177.9073 34 N 4.2373 7.9001 115.8958 56.8289 38.9160 176.4196 35 W 4.7385 7.8821 117.3669 57.9215 29.2600 177.2738 36 G 4.0183 8.2041 107.4879 45.6230 0.0000 174.9725 37 L 4.4812 8.0172 121.7069 53.1587 38.1628 177.2521 38 K 3.8414 7.9410 122.8343 60.0911 32.5691 177.2784 39 R 3.9355 8.3106 118.8002 59.0738 29.9117 178.3511 40 L 4.1388 7.9494 118.9432 57.1803 41.6325 178.6666 41 N 4.5189 8.1779 116.6558 56.7999 38.9819 176.2586 42 D 4.2948 8.1425 120.2281 57.5264 40.9068 179.2328 43 V 3.3320 7.4928 117.9267 66.0650 31.4221 178.0046 44 E 3.6799 8.3573 118.4757 59.1048 29.2601 178.6651 45 Y 3.9132 8.1064 119.8422 61.1553 38.9424 178.0699 46 H 4.2212 8.0636 116.6245 58.5040 28.6070 177.6431 47 E 3.6793 7.9549 121.0038 58.7310 29.1377 178.9113 48 S 4.1454 7.9724 113.7519 61.5260 62.4220 176.3005 49 I 3.5509 7.3029 122.2626 64.2709 36.8230 177.5648 50 D 4.2429 7.7911 118.7243 57.7778 40.9680 178.4916 51 E 4.1673 8.4596 118.9377 59.6022 29.3442 179.4397 52 M 4.0651 8.0295 118.8855 58.2574 32.0250 178.7292 53 K 3.8899 8.1215 118.6787 59.7574 32.2319 178.8672 54 H 4.0477 8.0686 116.0458 58.8730 28.6228 177.4030 55 A 4.2324 8.2001 122.3802 55.4874 18.1521 178.8645 56 D 4.3283 8.2410 116.4078 57.7977 41.3113 178.9296 57 R 3.8426 7.8303 118.1460 59.4452 30.0180 178.5703 58 Y 4.3386 7.6643 116.3578 61.2673 37.9206 178.7650 59 I 3.7633 8.2363 120.9570 64.7433 37.2842 178.4328 60 E 4.0989 8.5689 119.2520 58.8178 29.2226 179.5119 61 R 4.0208 7.8935 118.8147 59.4691 30.3240 178.2300 62 I 3.7538 8.4765 119.9958 64.6642 37.1523 178.3520 63 L 4.0716 8.1288 119.5275 57.8284 41.2180 179.4374 64 F 4.4239 8.0588 119.6492 61.1508 39.6689 176.4133 65 L 4.2982 8.3251 117.8614 53.6506 41.1535 176.9339 66 E 3.6060 7.9037 117.4944 57.5323 27.1359 174.5084 67 G 3.9684 8.3827 107.5184 43.9687 0.0000 173.7616 68 L 4.5330 8.0155 118.9713 51.9907 42.1590 175.2500 69 P 4.4023 0.0000 0.0000 62.5201 31.7584 175.8488 70 N 4.7075 9.4989 122.4904 52.4660 38.7220 173.8633 71 L 4.6515 8.3719 124.7576 54.6038 42.2561 177.3584 72 Q 4.2089 8.5398 122.5957 57.5278 29.5976 175.7994 73 D 4.6988 8.0377 117.1905 52.7348 41.9940 175.2451 74 L 4.5748 8.2795 125.3416 52.7144 44.0959 176.3688 75 G 3.7766 8.4827 115.2612 44.7885 0.0000 171.9309 76 K 4.1041 8.3039 120.6640 55.5108 32.2094 176.5463 77 L 4.0274 8.4043 127.1303 54.6386 42.1451 176.1878 78 N 4.8455 8.7667 121.3252 52.0222 40.4488 174.0444 79 I 3.9060 8.6199 126.9044 63.7292 37.8020 178.0931 80 G 4.1873 8.2240 101.9597 45.9476 0.0000 172.6135 81 E 4.7551 8.7519 116.5443 55.7579 31.7642 176.2929 82 D 5.0605 7.6917 117.7439 50.3195 43.9790 176.1219 83 V 4.0377 8.5434 119.0821 66.8246 31.3501 177.3916 84 E 3.8672 8.2576 117.9197 59.3804 29.5151 177.8851 85 E 3.9596 8.6245 119.2846 59.8132 29.6146 179.0755 86 M 4.1982 8.4546 116.9685 58.2800 31.5624 178.3516 87 L 4.1401 8.7240 120.6141 57.7344 41.8566 179.5992 88 R 3.9311 8.5608 118.8806 59.2253 30.0716 178.5435 89 S 4.0956 8.1862 113.0840 61.5815 62.4943 175.7127 90 D 4.3097 8.1469 121.5833 57.3801 40.4830 178.8301 91 L 4.0259 8.2385 120.4461 58.1940 42.2062 178.7857 92 A 3.9873 8.1304 120.7123 55.0096 18.2147 179.4918 93 L 3.9122 7.8394 118.4124 58.3790 42.2765 178.9117 94 E 4.0829 8.2715 118.5452 59.4729 29.5183 179.3788 95 L 4.0620 8.2518 119.1685 58.0164 41.8024 179.3760 96 D 4.5304 8.2992 118.9679 57.1600 40.6924 178.9739 97 G 3.6944 8.3920 106.0192 47.2099 0.0000 175.8467 98 A 4.0315 8.0506 123.3380 54.7639 18.4155 179.3224 99 K 3.8018 7.9080 117.8042 60.0068 32.2148 178.6296 100 N 4.3701 8.0685 116.1583 56.3158 38.3789 177.3582 101 L 3.9754 8.1299 120.3758 57.8230 41.7465 179.7616 102 R 3.8839 8.3177 118.2919 59.1657 29.9019 178.5846 103 E 3.8391 8.0734 118.6862 59.3074 29.5745 178.6699 104 A 2.7920 7.6972 120.5801 54.8264 18.3560 179.4685 105 I 3.6859 8.0064 118.7868 64.5952 37.2885 178.7639 106 G 3.6439 7.8282 105.8930 47.9575 0.0000 175.1390 107 Y 3.9642 7.6641 121.6427 60.2112 38.9231 177.1096 108 A 3.7956 8.0901 122.1413 55.5201 18.4435 179.0200 109 D 4.0463 7.8915 116.3126 57.4987 41.0419 178.5881 110 S 4.1207 7.3847 112.8083 60.4143 63.2209 175.7286 111 V 3.9149 6.8568 114.2525 60.8186 31.4091 176.0690 112 H 2.9769 7.0374 113.9842 56.5722 27.0936 176.4122 113 D 4.5366 7.2996 121.4637 53.4689 37.8069 176.2196 114 Y 4.2764 7.5137 121.3868 60.3178 38.3504 178.0427 115 V 3.7538 7.8253 120.0034 64.5992 31.8798 178.2724 116 S 4.1531 8.4792 115.9031 61.4189 62.6322 176.5872 117 R 3.8855 8.0915 121.1183 59.5692 29.8206 177.9427 118 D 4.3232 8.3040 117.8500 57.6494 41.2316 177.9135 119 M 4.0056 8.3500 118.8985 58.8739 32.1387 178.0337 120 M 4.1061 8.4440 119.2348 58.4476 32.1346 178.7675 121 I 3.7035 8.1012 120.2071 64.4915 37.4272 178.2820 122 E 3.9694 8.1182 119.2877 59.3783 29.1850 179.4904 123 I 3.5210 7.6548 119.7466 64.3700 37.1938 178.1895 124 L 3.9333 8.1942 121.3927 58.1003 41.8319 178.8749 125 R 3.9048 8.1398 118.6897 59.6121 29.9853 178.2503 126 D 4.3292 7.9226 118.2467 57.2924 40.8072 178.6588 127 E 3.9299 8.3051 119.2337 59.4127 29.4853 178.7920 128 E 4.0840 8.6844 119.9161 59.2869 29.6186 178.9914 129 G 3.7246 7.9680 105.5209 48.3973 0.0000 175.2906 130 H 4.4396 8.0950 119.1617 58.4342 28.6307 177.8144 131 I 3.8096 8.4960 121.9749 64.5876 37.0230 177.5164 132 D 4.4253 8.5289 119.1200 57.3844 40.9372 178.4952 133 W 4.1197 8.3069 128.2537 60.5038 30.8294 177.7004 134 L 3.7439 8.3698 118.9511 58.0075 41.1513 179.4212 135 E 3.9346 8.4779 118.5344 59.7505 29.3935 179.6861 136 T 3.8093 7.8978 115.6161 66.5822 68.4906 176.6597 137 E 3.7975 7.7019 120.4263 59.3662 29.5220 179.3890 138 L 3.7667 7.7254 118.8991 57.8777 41.6184 179.3390 139 D 4.4032 8.0636 118.6928 56.9067 40.6885 178.7912 140 L 4.0160 7.8581 119.8192 57.7597 41.5285 179.3550 141 I 3.4157 7.5458 119.8047 64.4639 36.6871 178.4781 142 Q 3.9918 7.2565 117.0874 58.6152 28.6739 178.4368 143 K 4.1414 7.8737 119.0180 59.0048 32.3270 178.4825 144 M 4.3957 8.2327 114.2327 53.7858 32.4462 176.9577 145 G 4.1269 7.3990 105.7068 45.9702 0.0000 174.6185 146 L 3.9028 8.3904 121.0777 58.1131 42.1892 179.0247 147 Q 3.9979 8.1662 117.5064 59.4988 28.7898 179.0422 148 N 4.3677 8.1613 116.5209 56.2776 38.3645 176.7096 149 Y 3.9395 7.7836 120.0274 60.6944 39.2525 177.7115 150 L 4.1164 8.4561 120.2955 58.0326 41.8296 179.3586 151 Q 3.9489 8.1161 119.0883 59.0672 28.7975 177.8560 152 A 4.1341 7.6933 119.5684 53.7499 18.6034 178.2713 153 Q 4.3048 7.6271 115.7389 55.6448 29.1136 177.6009 154 I 3.8608 7.5389 121.7384 63.6627 37.4092 176.6549 155 R 4.6164 7.5455 117.2966 54.1254 32.0663 175.9575 156 E 4.1415 8.5463 117.0886 56.7174 29.8416 176.6157 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 4.22 0.00 1.52 1.66 0.00 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 2 K 8.52 3.94 0.00 1.71 1.72 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.47 7.81 3 G 8.56 3.94 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 0.00 0.00 0.00 4 D 8.45 4.64 0.00 2.77 2.60 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 5 T 8.89 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 1.18 0.00 0.00 6 K 8.17 3.81 0.00 1.73 1.98 0.00 1.48 0.00 0.00 1.14 0.00 0.00 2.56 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.72 1.03 7.81 7 V 8.59 3.90 2.35 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 1.09 0.00 0.00 1.21 0.00 0.00 8 I 7.81 3.75 2.05 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.57 0.92 0.00 0.00 9 N 8.30 4.26 0.00 2.63 2.66 0.00 0.00 7.07 7.31 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 10 Y 8.03 4.11 0.00 3.30 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 11 L 8.46 3.86 0.00 2.03 1.78 1.08 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.64 4.26 0.00 2.84 2.83 0.00 0.00 6.73 8.26 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 13 K 8.17 3.85 0.00 1.79 1.99 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.02 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.45 1.46 7.81 14 L 8.11 3.82 0.00 1.06 1.21 0.91 0.46 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 15 L 7.84 3.96 0.00 1.67 1.85 1.07 1.13 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 16 G 8.26 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 17 N 7.95 4.36 0.00 3.01 2.90 0.00 0.00 7.01 7.39 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 18 E 8.31 4.11 0.00 2.26 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 0.00 2.71 2.87 0.00 19 L 8.40 4.37 0.00 1.86 1.95 0.94 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.70 3.58 2.06 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 0.95 0.00 0.00 0.89 0.00 0.00 21 A 7.96 3.79 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.30 3.76 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.29 0.90 0.00 0.00 23 N 7.75 4.38 0.00 3.00 2.85 0.00 0.00 6.70 7.99 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 24 Q 8.28 3.83 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.25 2.09 0.00 25 Y 8.28 4.35 0.00 3.18 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 F 8.34 3.85 0.00 3.40 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 27 L 8.25 3.94 0.00 1.94 1.59 0.88 1.23 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 28 H 8.29 3.75 0.00 3.47 3.26 0.00 5.71 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.42 4.15 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 30 R 7.78 3.83 0.00 1.71 1.87 0.00 3.23 0.00 0.00 3.05 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.61 0.00 31 M 7.74 3.44 0.00 0.94 1.63 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.16 0.00 32 F 7.69 4.52 0.00 3.28 3.25 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 33 K 8.37 3.86 0.00 1.95 1.89 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.43 7.81 34 N 7.90 4.24 0.00 2.70 2.71 0.00 0.00 7.36 8.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 7.88 4.74 0.00 3.75 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 36 G 8.20 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 37 L 8.02 4.48 0.00 2.17 1.68 1.10 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.94 3.84 0.00 1.97 1.85 0.00 1.59 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.62 1.59 7.81 39 R 8.31 3.94 0.00 2.02 2.02 0.00 3.35 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 40 L 7.95 4.14 0.00 1.66 0.94 1.09 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.18 4.52 0.00 3.13 3.01 0.00 0.00 7.21 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 8.14 4.29 0.00 2.96 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 43 V 7.49 3.33 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 -0.57 0.00 0.00 0.72 0.00 0.00 44 E 8.36 3.68 0.00 2.25 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 0.00 2.52 3.05 0.00 45 Y 8.11 3.91 0.00 2.94 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 46 H 8.06 4.22 0.00 3.25 3.22 0.00 5.67 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 47 E 7.95 3.68 0.00 1.29 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 1.70 1.89 0.00 48 S 7.97 4.15 0.00 4.04 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 49 I 7.30 3.55 1.87 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.52 0.85 0.00 0.00 50 D 7.79 4.24 0.00 2.93 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 E 8.46 4.17 0.00 2.09 2.18 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 2.73 2.80 0.00 52 M 8.03 4.07 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.54 0.00 53 K 8.12 3.89 0.00 1.86 1.83 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.62 7.81 54 H 8.07 4.05 0.00 3.56 3.37 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.20 4.23 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 56 D 8.24 4.33 0.00 2.88 2.90 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 0.00 0.00 0.00 0.00 57 R 7.83 3.84 0.00 1.80 1.76 0.00 3.14 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 58 Y 7.66 4.34 0.00 3.25 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 59 I 8.24 3.76 2.06 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 1.58 0.96 0.95 0.00 0.00 60 E 8.57 4.10 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 2.35 2.57 0.00 61 R 7.89 4.02 0.00 2.18 2.21 0.00 3.38 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.85 0.00 62 I 8.48 3.75 1.94 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 1.60 0.74 0.96 0.00 0.00 63 L 8.13 4.07 0.00 2.08 1.80 0.95 0.93 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 64 F 8.06 4.42 0.00 3.01 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 65 L 8.33 4.30 0.00 1.78 1.61 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.90 3.61 0.00 2.07 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 2.17 2.36 0.00 67 G 8.38 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 0.00 0.00 0.00 68 L 8.02 4.53 0.00 1.62 1.63 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.40 0.00 2.06 2.03 0.00 3.67 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 2.06 2.11 0.00 70 N 9.50 4.71 0.00 2.59 2.82 0.00 0.00 7.10 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 8.37 4.65 0.00 1.63 1.63 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.54 4.21 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.25 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 73 D 8.04 4.70 0.00 2.68 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 74 L 8.28 4.57 0.00 1.52 1.50 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.48 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 0.00 0.00 0.00 76 K 8.30 4.10 0.00 1.72 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.40 4.03 0.00 1.64 1.57 0.94 0.97 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 78 N 8.77 4.85 0.00 2.63 2.69 0.00 0.00 7.22 8.09 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 79 I 8.62 3.91 1.89 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 1.34 0.93 0.92 0.00 0.00 80 G 8.22 4.19 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 0.00 81 E 8.75 4.76 0.00 2.00 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 2.27 2.31 0.00 82 D 7.69 5.06 0.00 2.81 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 83 V 8.54 4.04 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 1.19 0.00 0.00 1.24 0.00 0.00 84 E 8.26 3.87 0.00 2.03 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 2.32 2.26 0.00 85 E 8.62 3.96 0.00 2.42 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 2.35 2.38 0.00 86 M 8.45 4.20 0.00 2.32 1.76 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.92 0.00 87 L 8.72 4.14 0.00 1.99 1.78 1.26 0.90 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 88 R 8.56 3.93 0.00 2.07 1.94 0.00 3.10 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 89 S 8.19 4.10 0.00 4.09 4.06 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 90 D 8.15 4.31 0.00 3.17 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 91 L 8.24 4.03 0.00 1.84 1.86 0.98 0.88 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 92 A 8.13 3.99 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 93 L 7.84 3.91 0.00 1.93 1.82 0.90 0.70 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 94 E 8.27 4.08 0.00 2.28 2.12 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 2.58 2.74 0.00 95 L 8.25 4.06 0.00 2.04 1.74 0.96 1.28 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 96 D 8.30 4.53 0.00 2.83 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 97 G 8.39 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 98 A 8.05 4.03 1.42 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 99 K 7.91 3.80 0.00 2.04 2.03 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 100 N 8.07 4.37 0.00 3.02 2.90 0.00 0.00 7.11 6.34 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 0.00 101 L 8.13 3.98 0.00 2.00 1.73 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.32 3.88 0.00 1.97 1.98 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.96 0.00 103 E 8.07 3.84 0.00 2.06 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 2.38 2.39 0.00 104 A 7.70 2.79 0.97 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 0.00 0.00 105 I 8.01 3.69 2.05 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 0.62 0.91 0.00 0.00 106 G 7.83 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.66 3.96 0.00 3.08 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 0.00 108 A 8.09 3.80 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 0.00 109 D 7.89 4.05 0.00 2.74 2.80 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 0.00 110 S 7.38 4.12 0.00 3.98 3.88 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 0.00 0.00 0.00 111 V 6.86 3.91 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 0.54 0.00 0.00 0.60 0.00 0.00 112 H 7.04 2.98 0.00 3.20 3.35 0.00 5.84 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 0.00 113 D 7.30 4.54 0.00 2.64 2.46 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 0.00 114 Y 7.51 4.28 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 0.00 115 V 7.83 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 0.99 0.00 0.00 0.98 0.00 0.00 116 S 8.48 4.15 0.00 4.14 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 0.00 117 R 8.09 3.89 0.00 1.88 2.20 0.00 3.32 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 118 D 8.30 4.32 0.00 3.04 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 0.00 119 M 8.35 4.01 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 120 M 8.44 4.11 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.81 0.00 121 I 8.10 3.70 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.83 0.92 0.00 0.00 122 E 8.12 3.97 0.00 1.97 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 2.46 2.49 0.00 123 I 7.65 3.52 1.96 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.56 0.73 0.00 0.00 124 L 8.19 3.93 0.00 1.75 1.85 0.99 0.97 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 0.00 125 R 8.14 3.90 0.00 1.92 2.12 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 126 D 7.92 4.33 0.00 2.99 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 0.00 127 E 8.31 3.93 0.00 2.15 2.16 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 2.57 2.53 0.00 128 E 8.68 4.08 0.00 2.31 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 2.34 2.42 0.00 129 G 7.97 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 0.00 0.00 0.00 130 H 8.10 4.44 0.00 3.55 3.55 0.00 5.66 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 0.00 131 I 8.50 3.81 2.13 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.85 0.97 0.00 0.00 132 D 8.53 4.43 0.00 2.94 2.98 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 0.00 133 W 8.31 4.12 0.00 3.56 3.49 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 0.00 134 L 8.37 3.74 0.00 2.01 1.76 1.30 1.30 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 0.00 135 E 8.48 3.93 0.00 2.14 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 2.33 2.38 0.00 136 T 7.90 3.81 4.19 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 1.18 0.00 0.00 137 E 7.70 3.80 0.00 1.56 1.67 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 1.47 1.47 0.00 138 L 7.73 3.77 0.00 1.74 1.62 0.89 0.86 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 0.00 139 D 8.06 4.40 0.00 2.77 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.86 4.02 0.00 1.91 1.85 1.01 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 0.00 141 I 7.55 3.42 1.70 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 0.36 0.70 0.00 0.00 142 Q 7.26 3.99 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.49 2.49 0.00 143 K 7.87 4.14 0.00 1.74 1.86 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.63 7.81 144 M 8.23 4.40 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.87 0.00 145 G 7.40 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 0.00 146 L 8.39 3.90 0.00 1.74 1.66 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.17 4.00 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 148 N 8.16 4.37 0.00 2.99 2.89 0.00 0.00 6.66 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 0.00 149 Y 7.78 3.94 0.00 3.05 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 0.00 150 L 8.46 4.12 0.00 2.02 1.72 1.08 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.12 3.95 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 152 A 7.69 4.13 1.23 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 0.00 0.00 0.00 153 Q 7.63 4.30 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.76 0.00 0.00 0.00 0.00 0.00 2.08 2.20 0.00 154 I 7.54 3.86 2.01 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 1.31 0.46 0.91 0.00 0.00 155 R 7.55 4.62 0.00 1.77 1.82 0.00 3.19 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 156 E 8.55 4.14 0.00 2.10 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 2.26 2.28 0.00