NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4624 8.3344 116.7934 58.0070 64.1596 173.1192 4 N 4.2391 8.4653 125.3015 52.6034 39.4173 174.0321 5 A 4.1411 8.6256 129.1190 55.1896 19.7316 178.2443 6 S 4.3750 8.1753 109.2972 60.7365 63.6453 175.2091 7 A 2.8077 6.7465 122.6883 51.1854 18.4687 176.9314 8 L 3.3420 7.9475 125.4397 57.6554 42.3194 177.9339 9 G 3.7919 7.3956 106.5619 45.5051 0.0000 173.8206 10 R 3.9722 8.6326 121.4220 58.5553 30.4627 175.9470 11 N 4.8816 7.6368 112.9534 50.5668 40.1963 174.4958 12 G 3.6080 8.7244 103.7201 48.3743 0.0000 175.4553 13 V 3.6033 7.9198 120.8882 65.8414 31.2569 177.4891 14 H 4.2029 8.7860 117.7330 59.4707 29.7263 176.9752 15 D 4.2130 7.8821 120.4604 57.1717 40.6797 178.2671 16 F 4.1456 8.4816 121.3258 61.5950 39.2867 177.1646 17 I 3.5737 8.0216 118.9169 64.5284 37.0651 178.2161 18 L 3.8755 7.9909 119.8295 57.9885 41.3913 180.0696 19 V 3.5005 7.6660 117.8156 66.1555 31.5467 178.4253 20 R 3.8131 7.7052 117.4735 58.8855 29.7801 179.0757 21 A 3.9553 8.3351 121.3854 55.4280 18.4794 179.8747 22 T 3.8552 7.8842 108.0421 64.5755 68.6739 176.4881 23 A 3.8825 8.1513 123.7238 55.1490 18.4424 179.3804 24 I 3.6376 7.4964 117.5882 64.7802 37.3113 178.6938 25 V 3.7177 7.8602 118.7205 66.3211 31.2960 178.1301 26 L 4.1728 8.5213 118.9764 57.9079 41.4054 179.6401 27 T 3.9396 8.2279 116.2155 66.5848 68.3865 176.4289 28 L 4.0884 8.1427 120.9271 57.9705 41.6697 178.5811 29 Y 3.1335 8.1345 119.0435 60.7750 38.5931 178.5762 30 I 3.4889 7.8803 120.1454 64.5119 37.2017 178.1442 31 I 3.6767 7.8105 120.4171 64.7410 36.8067 177.4491 32 Y 4.2834 8.3584 120.3729 61.4395 38.6306 178.4814 33 M 3.9237 8.1352 119.6138 58.0234 31.9531 179.0659 34 V 3.7854 8.5413 118.9753 66.1664 31.6275 178.1539 35 G 3.7728 8.5487 104.5727 47.8900 0.0000 175.0868 36 F 3.9228 7.6902 122.3738 61.2456 39.1691 177.4689 37 F 4.1413 8.0136 116.4772 59.4519 38.6960 176.5262 38 A 4.5140 7.8081 118.0593 52.3415 18.4087 177.4019 39 T 4.5247 7.3321 113.3979 63.8479 70.2290 174.6296 40 S 4.2395 7.9559 117.8669 59.8394 66.0654 177.2274 41 G 3.7786 7.9557 107.4387 46.6672 0.0000 176.2539 42 E 4.1152 9.1252 125.0254 54.9506 29.7168 175.5607 43 L 4.2758 8.3624 127.0635 54.4985 42.3221 176.6883 44 T 4.5470 8.2318 123.1048 62.5939 71.3340 175.1137 45 Y 4.3604 8.6751 123.6450 61.1537 38.7315 178.5671 46 E 3.9315 8.2829 119.2120 59.1931 29.6455 179.2622 47 V 3.7580 7.7419 117.9883 65.6525 31.5961 177.4877 48 W 4.8492 8.7822 128.6211 60.9367 30.5814 177.8347 49 I 3.5383 7.9548 118.5755 63.7788 37.1141 178.2635 50 G 3.6151 7.6543 105.9483 47.6168 0.0000 175.2755 51 F 4.4102 8.1378 122.1671 60.6065 39.4638 176.5417 52 F 3.6824 7.6591 116.5963 58.6313 39.0733 177.4403 53 A 4.2593 8.0505 119.3395 52.5980 18.3240 177.2056 54 S 4.1612 7.4714 113.7324 57.3922 62.9986 174.2437 55 A 3.9365 8.9492 130.4906 55.4762 18.0075 178.8178 56 F 3.7710 8.2065 118.1734 61.8185 39.4834 177.2712 57 T 3.8078 7.6883 115.2604 66.4263 68.1009 176.5388 58 K 3.7150 8.0849 120.6970 59.7480 32.1914 179.4676 59 V 3.3993 7.8309 118.3123 65.7764 31.3010 177.9603 60 F 4.0834 7.9729 120.4491 61.4098 39.2728 177.2650 61 T 3.2829 8.0638 115.7593 66.7056 68.2940 176.5822 62 L 3.8475 7.8278 120.5026 57.2648 41.5415 179.2445 63 L 4.0608 7.5928 119.9093 57.6536 41.9261 178.8002 64 A 3.8073 7.7855 121.0248 54.9298 18.3153 179.1945 65 L 3.8933 7.6969 117.1738 58.2633 41.2945 179.8421 66 F 4.3273 8.3074 120.1312 61.4704 39.2233 177.3819 67 S 3.9678 8.1659 114.8685 61.3772 62.5127 176.6105 68 I 3.7135 8.2923 122.9947 64.2877 36.8399 177.6861 69 L 4.0955 7.9505 121.0171 58.5583 41.9542 178.9429 70 I 3.5240 7.1961 118.2692 64.7394 37.0608 177.9077 71 H 4.0465 8.5115 118.7352 59.4090 29.8427 177.2176 72 A 4.1185 8.8309 122.9387 54.6866 18.1580 179.4175 73 W 4.1428 8.3994 127.1677 60.8974 30.8556 178.1838 74 I 3.9751 7.9300 119.5766 64.4646 36.6903 178.5126 75 G 3.6688 8.5394 106.7633 48.3500 0.0000 175.6194 76 M 4.1470 8.7844 122.3299 57.2574 31.9365 178.8202 77 W 4.1020 8.4745 128.5811 60.6891 30.7596 177.7959 78 Q 3.4964 8.1857 116.5503 58.9047 28.4423 179.1909 79 V 3.3001 7.4601 118.4120 66.0007 31.6631 178.1125 80 L 3.8866 7.7820 118.5443 58.0531 41.1437 179.6553 81 T 3.6909 6.9933 114.6360 65.7430 68.2452 176.0188 82 D 4.4162 7.3954 120.2241 56.1689 41.2512 176.8259 83 Y 4.6360 7.3518 114.5943 59.2378 39.3042 176.1194 84 V 4.0417 7.3864 120.5157 61.5365 30.1200 175.3117 85 K 4.0663 8.2960 125.8380 57.9806 32.7128 176.4647 86 P 4.3574 0.0000 0.0000 62.3015 31.8048 176.0766 87 L 3.7506 8.7623 124.3370 58.4830 41.9831 178.3200 88 A 3.9827 8.0371 119.4726 55.3735 18.3591 179.2166 89 L 3.8644 7.8647 117.8099 58.3750 42.2143 178.8812 90 R 3.8873 7.9993 118.5862 59.4766 29.8936 178.4337 91 L 3.9890 8.1540 118.8207 57.8339 41.5849 178.9110 92 M 3.9645 7.8492 117.6667 58.7361 32.0477 178.1629 93 L 3.9236 7.7959 118.7007 58.0499 41.8542 179.3703 94 Q 3.9034 8.2251 117.9807 58.9995 28.6667 179.0520 95 L 3.7835 8.1376 121.3425 58.0334 42.1189 179.1149 96 V 3.4522 8.0601 118.4308 66.0499 31.4153 177.8100 97 I 3.5588 8.3051 120.0506 64.6018 36.9426 178.6839 98 V 3.1401 8.0346 119.0891 65.6203 31.1188 178.2196 99 V 3.4176 7.6048 117.9280 65.6751 31.2879 177.7021 100 A 3.6553 7.8310 120.4991 55.1540 18.3044 179.5607 101 L 3.7479 7.7344 117.4536 57.9738 41.7103 180.0179 102 V 3.7105 7.9070 118.2807 66.0372 31.4472 178.2811 103 V 3.6827 8.0971 118.4868 65.8470 31.2520 177.5102 104 Y 4.5450 8.0293 116.9361 61.4070 37.8017 178.9399 105 V 3.7711 7.9631 118.4608 66.2050 31.6969 178.1539 106 I 3.9035 8.1751 119.6594 64.6052 36.9653 177.8380 107 Y 4.3524 8.9636 120.9733 60.3903 38.5028 178.0816 108 G 3.4872 8.2882 106.9313 47.7414 0.0000 175.5340 109 F 3.7953 8.1314 120.4817 60.1180 38.7509 177.6952 110 V 2.0000 6.8668 116.1056 65.4471 31.3000 177.9549 111 V 3.3455 7.4012 117.9386 65.6853 31.3103 178.0967 112 V 3.5543 7.5256 118.3519 65.7823 31.2452 178.0878 113 W 4.4949 7.8960 114.8074 58.8849 28.0636 177.4805 114 G 3.9503 7.3549 103.4094 45.3604 0.0000 173.7265 115 V 3.9826 7.6792 126.0656 62.8250 31.6552 174.9818 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 3 S 8.33 4.46 0.00 3.85 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 4 N 8.47 4.24 0.00 2.86 2.53 0.00 0.00 7.04 7.27 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 5 A 8.63 4.14 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 6 S 8.18 4.38 0.00 4.39 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 0.00 7 A 6.75 2.81 0.22 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 8 L 7.95 3.34 0.00 0.88 1.15 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.40 3.79 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 0.00 10 R 8.63 3.97 0.00 1.69 1.93 0.00 3.11 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.40 0.00 11 N 7.64 4.88 0.00 2.87 2.88 0.00 0.00 6.15 7.07 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 12 G 8.72 3.61 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 0.00 0.00 0.00 0.00 13 V 7.92 3.60 2.22 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 1.06 0.00 0.00 0.90 0.00 0.00 14 H 8.79 4.20 0.00 3.36 3.42 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 7.88 4.21 0.00 2.93 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.48 4.15 0.00 3.07 3.31 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 0.00 0.00 0.00 17 I 8.02 3.57 2.04 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 1.62 0.86 0.91 0.00 0.00 18 L 7.99 3.88 0.00 1.50 1.58 0.52 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.67 3.50 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 0.93 0.00 0.00 0.88 0.00 0.00 20 R 7.71 3.81 0.00 1.85 1.81 0.00 2.77 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.43 0.00 21 A 8.34 3.96 1.31 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 0.00 0.00 0.00 0.00 0.00 22 T 7.88 3.86 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 1.17 0.00 0.00 23 A 8.15 3.88 1.44 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 0.00 0.00 0.00 24 I 7.50 3.64 2.07 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 1.41 0.83 0.94 0.00 0.00 25 V 7.86 3.72 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 1.16 0.00 0.00 0.96 0.00 0.00 26 L 8.52 4.17 0.00 1.90 1.73 0.83 0.76 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 27 T 8.23 3.94 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 28 L 8.14 4.09 0.00 2.21 2.05 1.02 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 29 Y 8.13 3.13 0.00 2.57 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 30 I 7.88 3.49 2.04 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 1.55 0.76 0.92 0.00 0.00 31 I 7.81 3.68 2.16 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 1.45 1.10 0.98 0.00 0.00 32 Y 8.36 4.28 0.00 3.07 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 33 M 8.14 3.92 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.89 0.00 34 V 8.54 3.79 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 1.03 0.00 0.00 1.00 0.00 0.00 35 G 8.55 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 36 F 7.69 3.92 0.00 2.27 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 37 F 8.01 4.14 0.00 3.23 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 38 A 7.81 4.51 1.30 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 0.00 0.00 0.00 0.00 0.00 39 T 7.33 4.52 4.11 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 1.08 0.00 0.00 40 S 7.96 4.24 0.00 3.72 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.96 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 42 E 9.13 4.12 0.00 1.93 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 2.28 2.32 0.00 43 L 8.36 4.28 0.00 1.56 1.55 1.20 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.23 4.55 4.33 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 1.34 0.00 0.00 45 Y 8.68 4.36 0.00 3.14 3.10 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.28 3.93 0.00 2.08 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 2.51 2.39 0.00 47 V 7.74 3.76 2.37 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 1.21 0.00 0.00 1.00 0.00 0.00 48 W 8.78 4.85 0.00 3.60 3.20 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 0.00 49 I 7.95 3.54 1.32 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.28 0.69 0.00 0.00 50 G 7.65 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 51 F 8.14 4.41 0.00 2.84 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 52 F 7.66 3.68 0.00 2.72 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 53 A 8.05 4.26 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 54 S 7.47 4.16 0.00 3.81 3.79 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 55 A 8.95 3.94 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 56 F 8.21 3.77 0.00 3.15 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 57 T 7.69 3.81 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 58 K 8.08 3.72 0.00 1.83 1.76 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.63 7.81 59 V 7.83 3.40 1.78 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 0.76 0.00 0.00 0.89 0.00 0.00 60 F 7.97 4.08 0.00 2.71 2.71 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 0.00 0.00 0.00 61 T 8.06 3.28 4.33 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 1.19 0.00 0.00 62 L 7.83 3.85 0.00 1.37 1.24 -0.28 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.59 4.06 0.00 1.76 1.83 0.96 1.02 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 64 A 7.79 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.70 3.89 0.00 1.85 1.84 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.31 4.33 0.00 3.28 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.17 3.97 0.00 4.03 3.86 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 68 I 8.29 3.71 2.12 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.05 1.02 0.00 0.00 69 L 7.95 4.10 0.00 1.87 1.82 1.17 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 70 I 7.20 3.52 1.80 0.00 0.00 nan 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 0.44 0.72 0.00 0.00 71 H 8.51 4.05 0.00 3.28 3.33 0.00 5.79 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 72 A 8.83 4.12 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 73 W 8.40 4.14 0.00 3.69 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 74 I 7.93 3.98 1.98 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.47 1.03 0.00 0.00 75 G 8.54 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 76 M 8.78 4.15 0.00 2.04 2.33 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.87 0.00 77 W 8.47 4.10 0.00 3.77 3.63 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 78 Q 8.19 3.50 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.53 2.83 0.00 79 V 7.46 3.30 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 0.88 0.00 0.00 0.85 0.00 0.00 80 L 7.78 3.89 0.00 1.67 1.59 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 81 T 6.99 3.69 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 0.88 0.00 0.00 82 D 7.40 4.42 0.00 2.08 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 0.00 0.00 0.00 0.00 83 Y 7.35 4.64 0.00 2.91 2.83 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 84 V 7.39 4.04 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 0.79 0.00 0.00 0.96 0.00 0.00 85 K 8.30 4.07 0.00 1.80 1.86 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.22 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.41 7.81 86 P 0.00 4.36 0.00 2.16 2.01 0.00 3.65 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 2.11 2.14 0.00 87 L 8.76 3.75 0.00 1.76 1.67 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 88 A 8.04 3.98 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 89 L 7.86 3.86 0.00 1.77 1.83 0.92 0.85 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 90 R 8.00 3.89 0.00 2.03 2.02 0.00 3.05 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 91 L 8.15 3.99 0.00 1.74 1.72 0.95 0.72 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 92 M 7.85 3.96 0.00 2.28 2.06 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 2.59 2.58 0.00 93 L 7.80 3.92 0.00 1.90 1.69 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.23 3.90 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.61 0.00 95 L 8.14 3.78 0.00 1.74 1.80 0.86 0.93 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 96 V 8.06 3.45 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 0.93 0.00 0.00 0.95 0.00 0.00 97 I 8.31 3.56 1.97 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 1.38 0.45 0.81 0.00 0.00 98 V 8.03 3.14 1.63 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 0.26 0.00 0.00 -0.15 0.00 0.00 99 V 7.60 3.42 2.11 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 0.94 0.00 0.00 0.89 0.00 0.00 100 A 7.83 3.66 1.09 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 0.00 0.00 101 L 7.73 3.75 0.00 1.77 1.81 1.05 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.91 3.71 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 1.05 0.00 0.00 1.00 0.00 0.00 103 V 8.10 3.68 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 1.00 0.00 0.00 0.91 0.00 0.00 104 Y 8.03 4.54 0.00 3.34 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 0.00 105 V 7.96 3.77 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 1.41 0.00 0.00 1.27 0.00 0.00 106 I 8.18 3.90 1.98 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.97 0.99 0.00 0.00 107 Y 8.96 4.35 0.00 3.08 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 0.00 108 G 8.29 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 0.00 0.00 0.00 109 F 8.13 3.80 0.00 3.17 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 0.00 110 V 6.87 2.00 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 0.66 0.00 0.00 0.80 0.00 0.00 111 V 7.40 3.35 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 0.64 0.00 0.00 -0.06 0.00 0.00 112 V 7.53 3.55 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 0.95 0.00 0.00 0.85 0.00 0.00 113 W 7.90 4.49 0.00 3.40 3.41 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 0.00 114 G 7.35 3.95 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 0.00 0.00 0.00 115 V 7.68 3.98 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 0.69 0.00 0.00 0.86 0.00 0.00