NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 H 4.6137 8.4293 116.1924 55.1462 30.3214 173.2540 2 C 4.1301 7.6477 114.0704 56.8996 30.1516 172.1113 3 D 4.5631 8.3424 118.5773 55.1511 40.1350 175.5177 4 L 4.0740 8.0547 120.4709 56.9861 42.2668 175.6864 5 P 4.5655 0.0000 0.0000 62.2314 32.3525 175.3833 6 C 4.2342 8.4662 113.8158 58.0349 30.5903 174.9896 7 G 3.9143 8.2407 107.3242 45.3445 0.0000 172.7958 8 V 4.2934 7.1696 119.1027 61.0658 32.6596 174.4009 9 Y 4.7478 8.0944 123.5486 56.6977 42.1025 174.4078 10 D 3.7493 7.8737 118.2064 51.6907 43.9481 174.7103 11 P 4.0949 0.0000 0.0000 64.5502 31.1534 178.0943 12 A 3.9697 8.5391 120.7204 55.0778 17.7637 179.6833 13 Q 3.7602 7.9028 116.4473 59.0820 28.7755 178.8419 14 A 4.0456 7.7448 121.2514 55.0462 18.4175 179.4318 15 R 3.8310 8.1941 117.4896 59.6222 30.3107 178.5778 16 I 3.6674 8.0711 118.7514 64.1861 37.9534 177.7576 17 E 4.0086 8.0164 118.8577 59.3175 29.2821 179.1883 18 A 4.0722 8.2430 120.8955 55.0720 18.3370 179.5677 19 E 3.9809 8.4809 117.6731 59.6012 29.4491 179.7194 20 S 4.1217 7.9512 115.0390 61.3151 62.8476 176.6984 21 V 3.5559 7.6761 121.0380 66.0663 31.2435 178.0901 22 K 4.1497 8.1153 119.0378 59.3829 32.0419 178.5712 23 A 4.0077 8.2587 121.2837 55.2682 18.2579 179.7128 24 I 3.7375 8.2521 118.7364 64.6165 37.0963 178.6864 25 Q 4.0169 8.1490 118.9614 58.9213 28.3654 178.6897 26 E 3.9973 8.4209 119.7159 59.5261 29.5590 179.6660 27 K 4.1196 8.2882 118.3995 59.6570 31.8905 179.3567 28 M 4.4371 8.1953 118.0430 57.9515 31.9026 178.0532 29 A 4.2215 7.8484 119.6616 53.5297 18.8109 177.6817 30 A 4.4151 7.6336 118.2708 51.9528 19.8314 176.5387 31 N 4.6512 7.8172 114.5869 52.2982 40.2331 173.0118 32 D 4.7625 8.6303 124.6474 53.1975 40.1058 176.6726 33 D 4.4044 8.7494 121.2382 54.4997 42.3119 176.0003 34 L 3.9297 8.7499 128.7231 59.1211 42.0486 179.0058 35 H 4.1267 8.3097 115.2008 58.6919 28.6555 177.5343 36 F 4.1966 8.6713 122.7087 61.3257 39.2178 177.2272 37 Q 3.8868 8.4884 117.9877 58.8803 28.4348 178.9514 38 I 3.6307 7.9334 120.8961 64.5108 37.1289 178.7066 39 R 3.8214 8.0458 118.6719 59.1397 29.8035 179.0017 40 A 3.7015 8.0630 120.7817 55.2709 18.2977 179.8499 41 T 3.7197 7.8687 114.2268 66.6403 68.5951 176.9257 42 V 3.5480 7.7892 120.1339 66.3065 31.5193 178.2118 43 I 3.9071 7.9102 119.6013 64.1472 36.8496 178.3376 44 K 3.8891 8.3966 121.0417 59.3118 31.9809 178.4125 45 E 3.8924 8.2105 119.5822 59.4464 29.5916 178.8873 46 Q 3.9901 7.8774 117.4836 59.0985 28.7597 179.0750 47 R 3.9307 8.2338 118.9582 59.1451 30.0220 178.9932 48 A 4.0019 8.2459 120.8055 55.0192 18.2919 179.2901 49 E 3.8611 8.2452 117.9319 59.4349 29.6463 179.1040 50 L 3.9309 7.9771 118.8392 57.6043 41.6406 179.3123 51 A 4.0521 8.1367 120.8260 55.1297 18.2537 179.8415 52 K 3.9088 8.3031 117.1837 59.7602 32.0951 178.9632 53 H 4.1247 8.3974 118.5710 59.7176 29.8333 176.9406 54 H 4.1979 8.3131 117.9849 58.9566 28.5192 177.8550 55 L 4.0804 8.0206 120.7533 57.8794 41.4724 179.2010 56 D 4.5466 8.5211 119.2927 57.4083 40.7609 179.0784 57 V 3.7132 8.0454 118.7501 65.9998 31.4968 178.0237 58 L 3.9243 7.9756 118.6363 57.5582 41.2502 179.4132 59 W 4.6000 8.4586 127.3462 60.6905 30.8355 177.8509 60 S 3.9951 8.8785 113.3003 60.5194 62.8288 175.1403 61 D 4.7109 8.4090 120.9128 55.8886 41.8286 177.4070 62 Y 3.4454 7.4867 118.3504 60.0485 39.0612 175.5433 63 F 4.0062 7.9665 118.3415 57.2781 39.4758 175.0496 64 K 4.6423 8.1431 123.3406 53.3822 35.4296 175.1183 65 P 4.4417 0.0000 0.0000 65.9603 31.0677 177.1066 66 P 4.2255 0.0000 0.0000 65.7275 31.1680 178.4934 67 H 4.3021 8.0436 115.2589 59.0338 28.4606 177.9378 68 F 4.2812 7.6790 117.5702 60.2924 38.7883 176.9193 69 E 4.1431 8.3007 118.7864 59.2814 29.5484 178.6112 70 S 4.3557 7.9085 113.9907 59.5926 64.1850 174.0628 71 Y 4.6076 7.8961 119.3170 54.5698 38.0382 173.8437 72 P 4.3068 0.0000 0.0000 64.9153 31.9756 177.2824 73 E 4.3627 8.1603 114.2906 56.7493 30.7470 177.7446 74 L 3.8892 8.2662 122.6810 58.8251 42.0356 178.2645 75 H 4.4380 8.4340 115.3448 59.5802 28.6692 177.7448 76 T 3.8383 7.9489 116.7713 66.3217 68.2949 176.3100 77 L 3.7926 8.2281 122.6253 58.2439 42.1711 179.3055 78 V 3.5340 7.8906 118.1858 65.8811 31.4541 177.4709 79 N 4.0402 7.9855 116.8615 56.6533 38.6953 176.7846 80 E 3.7413 8.3216 120.1903 58.9290 29.4388 179.2130 81 A 3.8491 7.5146 120.8952 55.3067 18.4896 180.2025 82 V 3.6006 7.7624 110.9133 64.3625 31.5694 179.0522 83 K 3.9885 8.1040 118.1944 59.1976 31.8168 179.2723 84 A 4.1079 8.1655 121.4205 55.0129 18.2664 179.6999 85 L 4.0269 7.8536 117.6225 57.9295 41.5404 179.8010 86 S 4.1171 8.0936 115.1234 61.4962 62.5190 176.5659 87 A 3.9890 7.9965 122.4223 55.0378 18.4936 179.2650 88 A 4.1737 7.8997 120.7621 54.5565 18.1712 179.9625 89 K 3.9493 7.8004 116.2837 59.2547 32.1447 178.3298 90 A 4.5387 7.3522 118.5308 51.1019 19.0688 176.6026 91 S 4.6232 7.2886 112.5305 58.0599 65.6258 173.9951 92 T 4.3648 8.3102 113.2766 61.2706 69.6447 173.8176 93 D 4.5090 8.1750 124.1448 53.2748 41.3673 175.0078 94 P 4.7239 0.0000 0.0000 64.7370 31.2611 178.3148 95 A 4.0063 8.6434 120.4644 55.0818 17.6710 179.7571 96 T 3.9809 8.2861 108.9758 64.9316 68.9289 177.2321 97 G 3.6443 8.1364 108.2465 47.5155 0.0000 175.3184 98 Q 3.9949 8.3646 122.0926 58.6770 29.0769 178.1140 99 K 3.7687 8.2183 120.6345 59.3194 32.1480 178.6668 100 A 4.1644 7.9201 120.5946 55.2784 18.3336 179.6010 101 L 3.9696 7.9727 117.5236 58.0251 41.7120 179.5565 102 D 4.3303 8.3652 119.1719 57.5510 40.7242 178.4429 103 Y 4.3173 7.8505 117.1935 61.1855 37.8776 178.5241 104 I 3.7920 8.2418 120.7467 64.3273 37.1580 178.3357 105 A 4.1712 8.2872 121.7355 55.2177 18.1332 179.7621 106 Q 4.0221 8.0005 116.2003 59.2064 28.7926 178.9932 107 I 3.8004 8.0562 120.9585 64.2999 37.1502 177.9158 108 D 4.3967 8.7185 119.4341 57.1474 41.1749 178.2374 109 K 4.1086 8.2168 120.1220 59.7340 32.2862 178.8805 110 I 3.5159 7.6067 119.6526 64.0774 36.9976 177.9223 111 F 3.9795 8.6641 121.9429 61.4424 39.1638 177.4307 112 W 4.2358 8.3038 118.0497 59.5497 28.7578 178.5113 113 E 4.1216 8.2619 118.8527 59.5745 28.7295 179.3061 114 T 4.0858 7.8080 108.4456 64.1471 68.9198 176.5564 115 K 4.0686 7.3527 120.9991 58.9649 32.2458 178.9719 116 K 4.1863 8.0864 118.1676 59.6741 32.7158 176.8638 117 A 4.1818 7.8774 126.5661 52.3149 18.2881 176.8084 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 H 8.43 4.61 0.00 3.27 3.34 0.00 5.48 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 C 7.65 4.13 0.00 3.11 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 3 D 8.34 4.56 0.00 2.86 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 4 L 8.05 4.07 0.00 1.59 1.74 0.91 0.97 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 5 P 0.00 4.57 0.00 2.28 2.08 0.00 3.81 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 6 C 8.47 4.23 0.00 3.00 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 7 G 8.24 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 0.00 0.00 0.00 8 V 7.17 4.29 1.97 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 0.88 0.00 0.00 0.91 0.00 0.00 9 Y 8.09 4.75 0.00 2.79 2.39 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 10 D 7.87 3.75 0.00 2.60 2.36 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 11 P 0.00 4.09 0.00 2.26 1.87 0.00 3.10 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.99 0.00 12 A 8.54 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 7.90 3.76 0.00 1.81 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.21 2.31 0.00 14 A 7.74 4.05 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 15 R 8.19 3.83 0.00 1.89 2.07 0.00 3.12 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 16 I 8.07 3.67 1.93 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 1.53 1.19 0.98 0.00 0.00 17 E 8.02 4.01 0.00 2.21 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 0.00 2.57 2.55 0.00 18 A 8.24 4.07 1.40 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 19 E 8.48 3.98 0.00 2.19 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 2.34 2.63 0.00 20 S 7.95 4.12 0.00 4.10 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 21 V 7.68 3.56 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 1.00 0.00 0.00 1.00 0.00 0.00 22 K 8.12 4.15 0.00 1.89 1.80 0.00 1.77 0.00 0.00 1.66 0.00 0.00 3.17 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.62 7.81 23 A 8.26 4.01 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 24 I 8.25 3.74 2.01 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 1.52 0.76 0.89 0.00 0.00 25 Q 8.15 4.02 0.00 2.29 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 26 E 8.42 4.00 0.00 2.21 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 2.60 2.51 0.00 27 K 8.29 4.12 0.00 2.17 2.16 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.53 1.75 7.81 28 M 8.20 4.44 0.00 2.03 2.32 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.46 0.00 29 A 7.85 4.22 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 30 A 7.63 4.42 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 31 N 7.82 4.65 0.00 2.29 2.35 0.00 0.00 7.05 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.63 4.76 0.00 2.85 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 33 D 8.75 4.40 0.00 2.83 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 34 L 8.75 3.93 0.00 1.79 1.65 0.89 1.01 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 35 H 8.31 4.13 0.00 3.48 3.40 0.00 5.87 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 36 F 8.67 4.20 0.00 3.17 3.26 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 37 Q 8.49 3.89 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.59 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 38 I 7.93 3.63 1.99 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 1.48 0.74 0.88 0.00 0.00 39 R 8.05 3.82 0.00 1.83 1.89 0.00 3.16 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 40 A 8.06 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.87 3.72 4.32 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 1.18 0.00 0.00 42 V 7.79 3.55 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 1.01 0.00 0.00 0.96 0.00 0.00 43 I 7.91 3.91 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.49 0.89 0.00 0.00 44 K 8.40 3.89 0.00 1.80 1.96 0.00 1.74 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.44 7.81 45 E 8.21 3.89 0.00 2.28 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 0.00 2.29 2.39 0.00 46 Q 7.88 3.99 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.63 0.00 47 R 8.23 3.93 0.00 1.82 1.98 0.00 3.27 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 1.83 1.79 0.00 48 A 8.25 4.00 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 49 E 8.25 3.86 0.00 2.18 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 0.00 2.29 2.38 0.00 50 L 7.98 3.93 0.00 1.94 1.70 0.93 0.70 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 51 A 8.14 4.05 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 52 K 8.30 3.91 0.00 1.98 1.87 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.63 7.81 53 H 8.40 4.12 0.00 3.21 3.43 0.00 5.79 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 54 H 8.31 4.20 0.00 3.37 3.28 0.00 5.67 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 55 L 8.02 4.08 0.00 1.87 1.76 0.94 1.16 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 56 D 8.52 4.55 0.00 2.89 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 57 V 8.05 3.71 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 1.21 0.00 0.00 0.92 0.00 0.00 58 L 7.98 3.92 0.00 2.08 1.70 0.74 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 59 W 8.46 4.60 0.00 3.45 3.60 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 60 S 8.88 4.00 0.00 4.04 4.26 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 61 D 8.41 4.71 0.00 2.97 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 62 Y 7.49 3.45 0.00 1.43 2.45 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 63 F 7.97 4.01 0.00 2.90 1.97 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 64 K 8.14 4.64 0.00 1.45 1.55 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.79 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.27 1.13 7.81 65 P 0.00 4.44 0.00 2.15 2.18 0.00 3.57 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.26 0.00 66 P 0.00 4.23 0.00 1.97 2.03 0.00 3.43 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 2.00 2.12 0.00 67 H 8.04 4.30 0.00 2.92 3.10 0.00 5.64 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 68 F 7.68 4.28 0.00 3.15 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 69 E 8.30 4.14 0.00 2.08 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 2.31 2.36 0.00 70 S 7.91 4.36 0.00 3.82 3.52 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 71 Y 7.90 4.61 0.00 2.98 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 72 P 0.00 4.31 0.00 2.07 2.17 0.00 3.69 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 2.03 2.10 0.00 73 E 8.16 4.36 0.00 2.16 2.25 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 2.39 2.30 0.00 74 L 8.27 3.89 0.00 1.82 1.89 0.50 -0.32 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 75 H 8.43 4.44 0.00 3.27 3.36 0.00 5.68 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 76 T 7.95 3.84 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 77 L 8.23 3.79 0.00 1.82 1.84 1.05 0.93 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 78 V 7.89 3.53 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.10 0.00 0.00 79 N 7.99 4.04 0.00 2.70 2.74 0.00 0.00 7.22 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 80 E 8.32 3.74 0.00 1.37 1.17 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 2.17 2.39 0.00 81 A 7.51 3.85 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 82 V 7.76 3.60 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.84 0.00 0.00 83 K 8.10 3.99 0.00 1.93 1.81 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.45 7.81 84 A 8.17 4.11 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 7.85 4.03 0.00 1.92 1.73 0.96 0.86 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 86 S 8.09 4.12 0.00 4.04 3.89 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 87 A 8.00 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 88 A 7.90 4.17 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 89 K 7.80 3.95 0.00 1.98 2.02 0.00 1.69 0.00 0.00 1.95 0.00 0.00 3.21 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.65 7.81 90 A 7.35 4.54 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 91 S 7.29 4.62 0.00 3.81 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 92 T 8.31 4.36 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 93 D 8.18 4.51 0.00 2.71 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 94 P 0.00 4.72 0.00 2.20 2.22 0.00 3.94 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.93 0.00 95 A 8.64 4.01 1.43 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 0.00 0.00 96 T 8.29 3.98 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 1.22 0.00 0.00 97 G 8.14 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 98 Q 8.36 3.99 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.38 0.00 99 K 8.22 3.77 0.00 1.93 1.96 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.25 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.26 7.81 100 A 7.92 4.16 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 0.00 101 L 7.97 3.97 0.00 1.90 1.74 0.93 1.18 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 D 8.37 4.33 0.00 2.60 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.85 4.32 0.00 3.22 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 0.00 104 I 8.24 3.79 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 1.51 0.77 0.94 0.00 0.00 105 A 8.29 4.17 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 0.00 106 Q 8.00 4.02 0.00 2.47 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 107 I 8.06 3.80 2.09 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 1.46 0.79 1.08 0.00 0.00 108 D 8.72 4.40 0.00 2.82 2.96 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 0.00 0.00 0.00 109 K 8.22 4.11 0.00 1.98 2.04 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.58 7.81 110 I 7.61 3.52 1.83 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.75 -0.12 0.00 0.00 111 F 8.66 3.98 0.00 2.98 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 0.00 112 W 8.30 4.24 0.00 3.56 3.26 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 0.00 113 E 8.26 4.12 0.00 2.31 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 2.45 2.66 0.00 114 T 7.81 4.09 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 1.27 0.00 0.00 115 K 7.35 4.07 0.00 1.95 1.94 0.00 1.48 0.00 0.00 0.99 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.30 0.27 7.81 116 K 8.09 4.19 0.00 1.98 2.03 0.00 1.67 0.00 0.00 1.78 0.00 0.00 3.23 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.75 1.48 7.81 117 A 7.88 4.18 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