NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3416 8.3044 120.3157 54.6649 33.4185 174.5973 2 V 3.5891 8.0103 121.3750 62.6804 32.1285 173.6925 3 K 4.6116 8.8286 126.6220 54.4073 36.3265 173.9704 4 E 5.2868 8.6379 121.5384 54.4834 32.8076 174.5484 5 F 4.9698 9.6669 128.1014 56.4750 42.4441 173.2886 6 N 5.5272 8.1657 122.4937 52.0869 41.7393 173.5770 7 T 4.6391 8.6387 116.5475 62.4741 71.2679 171.4830 8 Q 5.0680 8.4328 117.7034 56.5127 31.2142 172.8846 9 T 4.7024 8.6854 112.9467 60.9811 71.4068 171.7210 10 E 5.1260 8.7078 125.3001 54.6364 31.6355 175.2618 11 L 4.8439 8.7508 124.3553 52.3153 44.6576 177.5405 12 S 4.6359 9.0792 121.2565 57.0216 61.7269 174.4599 13 V 4.4804 6.9970 118.5084 59.8706 35.2596 175.5172 14 R 4.0192 8.4814 124.9047 56.1307 31.6317 177.4297 15 L 4.0243 8.5089 125.9233 57.9271 42.0529 179.4335 16 E 4.1193 8.1893 117.4841 59.1753 29.5656 179.0974 17 A 4.0375 7.9460 120.5605 55.0163 18.5083 179.2298 18 L 3.9500 8.1150 118.9554 58.0599 42.0928 178.9715 19 W 4.3433 8.7736 128.5525 60.3977 30.5550 177.6006 20 A 3.9438 8.3383 121.0664 55.2812 17.3890 180.0691 21 V 3.6882 7.7393 117.0696 65.0387 31.4839 178.6352 22 L 4.1753 8.2229 119.1552 56.6284 41.5640 178.6311 23 S 4.3721 7.8048 113.1469 58.9039 63.4784 174.4650 24 K 4.6841 7.7200 118.5859 57.5803 38.1843 177.4102 25 D 4.5102 8.5889 119.2013 54.5705 40.6248 178.2024 26 F 4.4028 8.0290 116.1498 59.7661 37.5039 177.5157 27 I 3.4031 6.6973 119.4448 64.5606 36.9677 177.9329 28 T 4.0282 7.5500 114.7675 66.3855 68.7797 176.6386 29 V 3.8510 7.8622 119.8360 65.0756 31.5675 178.1411 30 V 3.7219 8.2047 118.8282 65.7621 30.9902 176.3230 31 P 4.4248 0.0000 0.0000 65.2559 30.8984 178.5942 32 K 4.0806 7.7406 116.9189 58.8827 32.0965 179.0666 33 V 3.5786 7.5187 117.4546 64.2420 32.9983 176.1254 34 L 5.0066 8.0927 117.2741 53.1270 41.7144 175.8351 35 P 4.5283 0.0000 0.0000 64.5151 32.1141 177.3775 36 H 4.7191 8.3593 113.0617 56.0857 29.4879 175.0858 37 I 4.2012 7.5420 119.3973 62.5271 39.3764 175.1120 38 V 4.7859 7.9351 120.0331 61.0683 32.4777 175.1249 39 K 4.3472 9.1808 130.3085 59.2755 32.6267 176.3401 40 D 4.6845 7.6596 116.6741 52.4222 42.5691 174.1528 41 V 4.5411 8.1416 118.8602 61.1328 34.2966 174.5902 42 Q 4.4967 8.6308 125.8071 53.7995 32.7233 174.1466 43 L 4.3841 8.4110 125.7042 55.0975 42.1607 176.0221 44 I 4.1977 8.7731 128.0608 63.2777 38.2997 176.1005 45 E 4.5661 7.9133 118.9219 55.8951 34.2880 176.1148 46 G 4.2177 8.9813 108.8655 45.2900 0.0000 172.8497 47 D 4.6716 8.5012 115.6159 52.8340 39.7298 177.1072 48 G 3.9270 8.5837 109.4429 45.2702 0.0000 174.6077 49 G 3.4723 7.8970 110.7932 43.9361 0.0000 172.9463 50 V 3.8857 8.1550 121.1189 64.8924 31.8115 177.4679 51 G 4.0034 9.1740 115.4416 45.2609 0.0000 173.7701 52 T 4.2366 7.7961 117.6686 63.7503 69.7751 173.2605 53 I 4.9585 8.7154 126.7116 59.5997 39.7603 174.6838 54 L 5.2613 9.0649 126.3845 52.9175 45.5800 175.3801 55 I 4.9667 8.4367 122.7024 59.6166 40.3854 174.4584 56 F 4.7616 9.2643 126.3219 56.0255 40.6746 174.4904 57 N 5.0069 8.7170 122.2515 51.9759 40.1643 175.2477 58 F 5.4388 8.7186 122.9578 55.9311 41.1778 175.6837 59 L 4.2776 8.7365 120.0395 54.3907 42.0522 177.2983 60 P 4.2512 0.0000 0.0000 65.4087 31.4803 177.7631 61 E 4.0288 8.1454 117.8414 58.0606 29.9117 176.5316 62 V 4.0150 8.0292 120.0721 61.6983 32.3427 174.5423 63 S 4.7553 8.2944 120.6966 55.5704 65.0297 171.7189 64 P 4.4044 0.0000 0.0000 63.0728 31.8018 176.2714 65 S 5.0217 8.9137 114.6620 58.5999 64.5485 172.5705 66 Y 4.8731 7.4601 118.2139 56.3799 41.2549 173.1499 67 Q 4.7217 8.8213 116.9219 54.6649 32.7789 173.3671 68 R 5.2127 9.1196 121.3753 54.8864 32.6156 174.6082 69 E 5.2953 9.5280 124.7009 54.5908 34.5207 173.9403 70 E 5.1516 9.0126 122.7253 54.3409 33.0063 174.9839 71 I 4.6096 8.8745 128.5654 61.8236 37.5714 176.3809 72 T 4.6912 9.0847 117.7753 61.7128 70.4861 174.3306 73 E 4.7619 8.0376 122.9366 54.9783 33.5413 174.0989 74 F 5.0490 8.8980 128.4993 57.4343 41.1346 171.5641 75 D 4.8896 9.5184 125.1353 51.9768 42.4668 175.7575 76 E 3.6932 8.9715 128.2182 58.2951 30.2977 179.0640 77 S 3.7940 8.2072 113.6354 60.7129 63.2101 175.1973 78 S 4.2841 7.9906 112.1266 57.1947 64.1519 173.0447 79 H 2.5800 6.5764 118.0491 57.0227 26.4119 173.8036 80 E 5.3814 7.9250 118.1838 54.6195 32.9931 176.9754 81 I 5.1589 9.1496 123.7053 59.2207 41.8167 173.9204 82 G 4.4067 9.1924 116.1285 44.3122 0.0000 171.5708 83 L 5.2307 8.9233 124.6436 52.9118 44.9748 175.1290 84 Q 4.7320 9.0426 126.3816 54.3051 31.0421 174.6273 85 V 4.3186 8.6677 127.9075 62.9229 31.6298 175.5198 86 I 4.4882 8.6357 120.9470 60.8517 39.2746 175.1528 87 E 4.4921 8.3025 121.7136 56.7607 33.0387 176.6728 88 G 3.1787 8.5625 114.1207 45.9798 0.0000 173.8586 89 G 3.5036 7.5594 109.3583 46.7075 0.0000 176.5853 90 Y 4.2087 7.6933 118.5731 60.6999 37.8505 177.2762 91 L 4.8213 7.6329 116.7825 55.2338 41.7379 177.3882 92 S 4.7074 8.2405 114.9253 58.4585 61.9864 174.8508 93 Q 5.2892 7.8563 118.3364 54.8634 29.6900 176.6341 94 G 4.1858 8.3123 105.8774 46.1240 0.0000 174.4673 95 L 4.6524 8.0417 120.9191 54.5889 42.4465 177.3225 96 S 4.7005 8.7015 117.0306 59.5248 64.5152 173.7089 97 Y 4.8781 7.8601 121.3303 56.6203 42.3774 172.8136 98 Y 5.0862 7.7816 126.1471 56.4394 42.6663 173.0100 99 K 4.9030 8.4675 127.0588 55.0175 36.5592 174.5977 100 T 4.8640 8.7214 122.8065 61.9565 71.4581 173.0823 101 T 4.9114 8.7683 123.0513 61.7129 71.8085 172.9178 102 F 5.6782 9.0017 125.4265 55.7888 41.7546 174.6924 103 K 5.0946 9.1865 123.9297 54.6782 35.0830 174.4934 104 L 5.2650 8.7796 127.4620 53.2343 43.8723 176.2245 105 S 4.6661 8.8106 118.5018 56.4493 67.0830 173.2456 106 E 4.2924 8.9425 125.8358 56.0219 30.0384 176.0264 107 I 4.3646 8.4307 118.9963 61.3162 39.9306 175.0718 108 E 4.7372 7.6011 118.2245 53.9035 33.7537 175.3813 109 E 3.9353 8.8968 120.7220 59.3785 29.3031 177.7998 110 D 5.1139 7.9563 117.1282 53.5019 42.7378 175.3375 111 K 4.8895 8.1458 118.7123 55.1867 35.8628 174.8792 112 T 5.0949 8.9980 123.1585 61.5901 72.6185 172.7742 113 L 4.3440 8.9277 128.9843 54.6588 43.8180 175.5223 114 V 4.7753 8.9229 126.8417 61.2488 33.6207 173.9925 115 N 5.1507 9.1098 126.8656 52.7330 40.2703 174.6470 116 V 4.9771 9.0545 123.5434 61.1659 34.3170 173.9631 117 K 4.9428 9.1993 130.4401 54.8036 34.5859 174.5561 118 I 4.7210 9.1169 129.2627 59.7940 39.4854 174.7128 119 S 5.4723 8.6217 124.0493 57.0278 65.0556 173.0312 120 Y 5.5291 8.8197 121.7925 56.3342 41.6986 173.1045 121 D 4.8820 9.2419 118.8779 53.4976 45.2190 173.5510 122 H 5.3228 8.7501 120.6773 54.1936 31.5900 174.1657 123 D 4.7340 9.0007 122.6374 53.5038 41.2099 177.3651 124 S 4.3138 8.8792 121.6851 60.7227 63.3422 175.0277 125 D 4.5237 8.5259 120.3695 55.6973 40.9944 176.3818 126 I 4.2308 7.3174 120.4871 60.0424 38.2495 175.5475 127 E 4.0113 8.8810 126.4969 59.1268 29.6415 176.9240 128 E 3.9036 8.0737 119.3507 56.5909 30.0455 175.4298 129 K 4.3879 8.2709 125.6124 55.1804 34.4272 175.2464 130 V 4.3583 7.8909 119.5016 60.1115 33.2675 176.0486 131 T 4.5254 8.0082 114.2873 59.5440 70.9378 174.0192 132 P 4.1879 0.0000 0.0000 65.0890 31.0950 178.8448 133 T 3.4050 7.3048 115.7260 66.3269 68.2289 176.1447 134 K 3.8608 7.6175 121.1859 59.5955 32.3799 179.0598 135 T 3.7258 7.6586 110.4533 64.7026 68.5244 176.6596 136 S 4.1850 8.1058 117.4880 61.3130 62.8642 176.5676 137 Q 4.0507 7.8472 121.7470 58.7139 28.3613 178.8720 138 S 4.1406 7.8968 116.4287 61.9080 62.8911 176.8431 139 T 4.0635 8.0180 118.4573 66.7338 68.1622 176.8392 140 L 4.0865 8.4779 121.3954 57.7528 41.5217 179.0334 141 M 3.9966 8.3279 118.4682 58.8832 32.1047 177.6135 142 Y 4.1644 8.0602 119.4099 60.8845 38.9231 178.1089 143 L 3.6776 7.9719 119.7962 57.7851 41.5239 179.8285 144 R 3.8865 8.1974 118.1823 59.1392 29.9470 179.3083 145 R 3.9184 8.1631 118.2261 58.9715 30.0421 178.8232 146 L 3.7743 7.8675 120.5909 57.9556 41.9012 178.3502 147 E 3.8807 8.1726 119.4691 59.5889 29.2647 178.9717 148 R 3.8944 7.5556 117.0988 59.4842 30.2163 177.4022 149 Y 4.1551 8.0381 118.6076 60.6240 38.8985 177.6495 150 L 4.1955 8.0167 117.8486 55.4364 42.3869 177.4041 151 S 4.4165 7.0731 115.5982 57.2701 63.7422 173.7470 152 N 3.8787 8.4762 121.3111 54.6572 39.0013 174.0507 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 8.30 4.34 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 2 V 8.01 3.59 1.84 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 0.60 0.00 0.00 0.42 0.00 0.00 3 K 8.83 4.61 0.00 0.79 1.39 0.00 1.63 0.00 0.00 1.53 0.00 0.00 2.24 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.22 1.28 7.81 4 E 8.64 5.29 0.00 1.94 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 2.22 2.31 0.00 5 F 9.67 4.97 0.00 3.14 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 6 N 8.17 5.53 0.00 2.47 2.61 0.00 0.00 6.80 7.54 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 7 T 8.64 4.64 4.30 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 1.43 0.00 0.00 8 Q 8.43 5.07 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.27 6.52 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 9 T 8.69 4.70 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 1.19 0.00 0.00 10 E 8.71 5.13 0.00 1.86 1.83 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 2.21 2.30 0.00 11 L 8.75 4.84 0.00 1.52 1.50 0.87 0.88 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 12 S 9.08 4.64 0.00 3.90 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 13 V 7.00 4.48 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 0.85 0.00 0.00 0.92 0.00 0.00 14 R 8.48 4.02 0.00 1.91 1.85 0.00 3.21 0.00 0.00 3.35 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.75 0.00 15 L 8.51 4.02 0.00 1.66 1.62 0.83 0.73 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 16 E 8.19 4.12 0.00 2.06 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 0.00 2.40 2.35 0.00 17 A 7.95 4.04 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 18 L 8.11 3.95 0.00 1.81 1.88 0.89 0.83 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 19 W 8.77 4.34 0.00 3.39 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 20 A 8.34 3.94 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 21 V 7.74 3.69 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 1.01 0.00 0.00 1.08 0.00 0.00 22 L 8.22 4.18 0.00 1.66 1.88 0.79 1.16 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 23 S 7.80 4.37 0.00 2.79 2.63 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 24 K 7.72 4.68 0.00 1.80 1.92 0.00 1.58 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.29 1.54 7.81 25 D 8.59 4.51 0.00 2.75 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 26 F 8.03 4.40 0.00 3.32 3.58 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 27 I 6.70 3.40 1.49 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 -0.36 0.70 0.00 0.00 28 T 7.55 4.03 4.22 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 1.22 0.00 0.00 29 V 7.86 3.85 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 0.96 0.00 0.00 1.04 0.00 0.00 30 V 8.20 3.72 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 1.13 0.00 0.00 1.08 0.00 0.00 31 P 0.00 4.42 0.00 2.21 2.11 0.00 3.74 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 2.10 2.20 0.00 32 K 7.74 4.08 0.00 1.73 1.90 0.00 1.78 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.67 1.67 7.81 33 V 7.52 3.58 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 0.84 0.00 0.00 0.36 0.00 0.00 34 L 8.09 5.01 0.00 1.75 1.54 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 35 P 0.00 4.53 0.00 2.23 2.32 0.00 3.56 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 36 H 8.36 4.72 0.00 3.32 3.47 0.00 5.47 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.54 4.20 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.21 0.71 0.00 0.00 38 V 7.94 4.79 2.21 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 0.94 0.00 0.00 1.16 0.00 0.00 39 K 9.18 4.35 0.00 1.84 1.98 0.00 1.92 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.40 7.81 40 D 7.66 4.68 0.00 2.71 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 41 V 8.14 4.54 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 0.02 0.00 0.00 0.76 0.00 0.00 42 Q 8.63 4.50 0.00 1.85 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 43 L 8.41 4.38 0.00 1.53 1.48 0.84 1.08 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 44 I 8.77 4.20 1.85 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 1.18 0.93 0.88 0.00 0.00 45 E 7.91 4.57 0.00 1.82 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 0.00 2.28 2.25 0.00 46 G 8.98 4.22 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 47 D 8.50 4.67 0.00 2.71 2.70 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 0.00 48 G 8.58 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 7.90 3.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.15 3.89 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 0.90 0.00 0.00 1.05 0.00 0.00 51 G 9.17 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.80 4.24 4.31 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 1.27 0.00 0.00 53 I 8.72 4.96 1.87 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 1.24 1.02 0.93 0.00 0.00 54 L 9.06 5.26 0.00 1.69 1.33 1.31 0.72 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 55 I 8.44 4.97 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.75 0.88 0.00 0.00 56 F 9.26 4.76 0.00 2.62 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 57 N 8.72 5.01 0.00 2.92 2.67 0.00 0.00 6.52 7.65 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 58 F 8.72 5.44 0.00 3.03 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 L 8.74 4.28 0.00 1.66 1.63 1.04 1.08 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 60 P 0.00 4.25 0.00 2.06 2.14 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 61 E 8.15 4.03 0.00 1.92 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 2.29 2.36 0.00 62 V 8.03 4.02 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 0.68 0.00 0.00 0.89 0.00 0.00 63 S 8.29 4.76 0.00 3.81 3.66 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 64 P 0.00 4.40 0.00 1.99 1.85 0.00 3.64 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 2.12 2.02 0.00 65 S 8.91 5.02 0.00 4.02 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 0.00 66 Y 7.46 4.87 0.00 3.00 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 67 Q 8.82 4.72 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.81 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 68 R 9.12 5.21 0.00 2.06 1.90 0.00 3.09 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 69 E 9.53 5.30 0.00 2.07 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 2.22 2.34 0.00 70 E 9.01 5.15 0.00 2.02 1.77 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 2.22 2.41 0.00 71 I 8.87 4.61 2.13 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.51 1.12 0.00 0.00 72 T 9.08 4.69 4.29 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 1.32 0.00 0.00 73 E 8.04 4.76 0.00 2.08 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 2.37 2.38 0.00 74 F 8.90 5.05 0.00 3.15 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 75 D 9.52 4.89 0.00 2.74 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 76 E 8.97 3.69 0.00 2.26 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 2.37 2.12 0.00 77 S 8.21 3.79 0.00 3.95 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 78 S 7.99 4.28 0.00 3.92 3.93 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 0.00 0.00 0.00 0.00 79 H 6.58 2.58 0.00 3.16 2.72 0.00 5.76 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 80 E 7.92 5.38 0.00 1.93 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 2.25 2.34 0.00 81 I 9.15 5.16 1.86 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 1.19 2.09 1.08 0.00 0.00 82 G 9.19 4.41 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 0.00 83 L 8.92 5.23 0.00 1.34 1.58 1.02 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 9.04 4.73 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.01 0.00 0.00 0.00 0.00 0.00 2.15 2.10 0.00 85 V 8.67 4.32 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 0.79 0.00 0.00 0.98 0.00 0.00 86 I 8.64 4.49 1.90 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 1.27 0.87 0.97 0.00 0.00 87 E 8.30 4.49 0.00 2.08 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 2.39 2.35 0.00 88 G 8.56 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 0.00 0.00 0.00 89 G 7.56 3.50 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 0.00 0.00 0.00 90 Y 7.69 4.21 0.00 2.65 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 91 L 7.63 4.82 0.00 1.83 1.71 1.04 0.91 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 92 S 8.24 4.71 0.00 3.88 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 93 Q 7.86 5.29 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.98 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 94 G 8.31 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 95 L 8.04 4.65 0.00 1.88 1.71 1.12 0.72 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 96 S 8.70 4.70 0.00 3.93 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 97 Y 7.86 4.88 0.00 3.08 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 98 Y 7.78 5.09 0.00 3.15 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 99 K 8.47 4.90 0.00 1.48 1.40 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.21 1.31 7.81 100 T 8.72 4.86 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 0.78 0.00 0.00 101 T 8.77 4.91 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 1.27 0.00 0.00 102 F 9.00 5.68 0.00 3.03 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 0.00 103 K 9.19 5.09 0.00 1.85 1.67 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.33 1.38 7.81 104 L 8.78 5.26 0.00 1.51 1.54 1.15 0.74 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 0.00 105 S 8.81 4.67 0.00 3.71 3.68 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 0.00 106 E 8.94 4.29 0.00 1.89 1.83 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 2.27 2.41 0.00 107 I 8.43 4.36 1.86 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 1.38 0.83 0.95 0.00 0.00 108 E 7.60 4.74 0.00 1.97 1.82 0.00 0.00 0.00 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 2.27 0.00 109 E 8.90 3.94 0.00 1.91 2.01 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 2.30 2.37 0.00 110 D 7.96 5.11 0.00 2.59 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 0.00 111 K 8.15 4.89 0.00 1.80 1.56 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.51 7.81 112 T 9.00 5.09 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 1.26 0.00 0.00 113 L 8.93 4.34 0.00 1.76 1.65 0.92 0.96 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 0.00 114 V 8.92 4.78 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 0.80 0.00 0.00 0.85 0.00 0.00 115 N 9.11 5.15 0.00 2.82 2.76 0.00 0.00 6.08 7.83 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 0.00 116 V 9.05 4.98 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 1.22 0.00 0.00 1.20 0.00 0.00 117 K 9.20 4.94 0.00 1.87 1.65 0.00 1.67 0.00 0.00 1.98 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.57 7.81 118 I 9.12 4.72 1.97 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 1.15 0.53 0.56 0.00 0.00 119 S 8.62 5.47 0.00 3.93 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 0.00 120 Y 8.82 5.53 0.00 3.07 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 0.00 121 D 9.24 4.88 0.00 2.73 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 H 8.75 5.32 0.00 3.12 3.25 0.00 5.94 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 0.00 123 D 9.00 4.73 0.00 2.77 2.61 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 0.00 124 S 8.88 4.31 0.00 4.03 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.53 4.52 0.00 2.80 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 0.00 126 I 7.32 4.23 1.90 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 1.20 0.52 0.95 0.00 0.00 127 E 8.88 4.01 0.00 1.91 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 2.29 2.35 0.00 128 E 8.07 3.90 0.00 2.04 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.30 0.00 129 K 8.27 4.39 0.00 1.70 1.59 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.14 1.27 7.81 130 V 7.89 4.36 1.86 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 0.73 0.00 0.00 0.56 0.00 0.00 131 T 8.01 4.53 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 1.13 0.00 0.00 132 P 0.00 4.19 0.00 1.22 1.42 0.00 3.56 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.06 0.00 133 T 7.30 3.40 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 1.18 0.00 0.00 134 K 7.62 3.86 0.00 1.72 1.75 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.35 7.81 135 T 7.66 3.73 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 -0.04 0.00 0.00 136 S 8.11 4.18 0.00 4.17 3.98 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 0.00 137 Q 7.85 4.05 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.53 0.00 138 S 7.90 4.14 0.00 4.01 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 0.00 139 T 8.02 4.06 4.54 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 1.58 0.00 0.00 140 L 8.48 4.09 0.00 1.85 1.76 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 141 M 8.33 4.00 0.00 2.25 2.10 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.75 0.00 142 Y 8.06 4.16 0.00 3.13 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 0.00 143 L 7.97 3.68 0.00 1.83 1.56 0.80 0.50 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 0.00 144 R 8.20 3.89 0.00 1.80 1.95 0.00 3.26 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.81 0.00 145 R 8.16 3.92 0.00 1.89 1.96 0.00 3.31 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.84 0.00 146 L 7.87 3.77 0.00 0.93 1.44 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.17 3.88 0.00 2.09 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 0.00 2.30 2.31 0.00 148 R 7.56 3.89 0.00 1.78 2.13 0.00 3.37 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 149 Y 8.04 4.16 0.00 3.06 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 0.00 150 L 8.02 4.20 0.00 1.69 1.73 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 151 S 7.07 4.42 0.00 3.93 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 0.00 152 N 8.48 3.88 0.00 2.62 2.63 0.00 0.00 6.91 7.56 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