NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5293 8.3044 120.2866 55.2869 33.8872 174.1159 3 V 4.1252 8.0547 121.3456 59.6104 33.0204 173.2937 4 W 4.5074 9.0742 135.0000 57.4106 31.9862 174.6955 5 T 4.0620 8.0388 122.1633 61.2520 67.2014 172.4809 6 P 4.5322 0.0000 0.0000 63.3180 32.2067 175.6947 7 V 4.0710 7.3951 119.5236 62.8004 32.8119 175.3074 8 N 4.1832 8.6125 124.9601 54.9186 36.1612 173.4368 9 N 5.0501 7.5822 108.9743 52.9512 40.0281 174.1889 10 K 4.1681 8.3641 116.4647 56.5277 32.8710 176.6001 11 M 5.0469 8.3549 120.5195 53.8966 35.3428 175.2002 12 F 4.6203 8.2185 116.3385 57.3224 41.1141 176.7038 13 E 3.5140 8.3839 121.6436 57.1304 27.6436 175.4193 14 T 3.8096 8.3551 122.3754 66.4205 68.9861 174.2780 15 F 4.4993 8.9940 123.9061 57.6692 36.6330 176.3825 16 S 4.4998 8.2100 114.9008 60.3149 63.0572 174.4694 17 Y 4.4077 8.3012 117.4163 58.1536 38.1682 175.0405 18 L 4.7218 7.5604 119.8942 52.0695 43.7330 174.5235 19 P 4.4140 0.0000 0.0000 62.0096 31.7769 175.0304 20 P 4.3435 0.0000 0.0000 62.7064 31.8202 176.3907 21 L 4.0041 8.2899 122.3844 54.6997 42.1817 178.0132 22 T 4.2543 8.1786 114.1406 61.1881 71.1945 175.3674 23 D 4.3286 8.4649 120.4447 57.3816 40.7518 178.6350 24 E 3.9407 8.0839 119.5387 59.2266 29.7413 178.7695 25 Q 3.9193 7.9157 117.9894 58.7555 28.7355 178.5353 26 I 3.7051 7.9951 120.8274 64.3441 37.1038 178.1326 27 A 4.0189 8.2211 121.4264 55.2939 18.1792 179.5048 28 A 3.9550 8.0383 119.0757 55.5036 18.4516 179.9270 29 Q 4.1036 8.0952 116.4787 59.0520 28.7984 179.1270 30 V 3.7280 8.2168 119.4312 66.2109 31.5305 177.7155 31 D 4.4380 8.4950 118.8907 57.6297 40.2039 178.2857 32 Y 4.1733 8.1943 119.9383 60.6406 38.8994 178.0095 33 I 3.9403 7.9723 120.7749 64.5900 37.2953 178.6557 34 V 3.5424 7.9186 118.6791 65.9428 31.1873 177.9312 35 A 3.9528 8.0982 119.6598 54.5079 18.2456 178.3319 36 N 4.0746 7.0543 112.0324 52.2291 38.7343 175.8276 37 G 3.7519 7.3006 108.3563 45.9132 0.0000 173.9713 38 W 4.9636 7.4310 118.6311 56.0796 30.6508 176.2386 39 I 4.3896 8.9159 123.2983 59.5241 37.9046 174.0161 40 P 4.9133 0.0000 0.0000 62.9088 32.7535 175.1711 41 C 4.9989 8.8320 121.3539 58.4082 35.6580 172.4360 42 L 5.3111 8.7548 123.9884 53.2284 44.3606 175.1936 43 E 5.6023 9.2078 121.1111 54.8881 34.0730 174.6337 44 F 5.6524 9.0712 116.1444 55.8607 42.1230 173.0757 45 A 4.5018 8.3876 120.5778 50.1121 22.6040 176.2489 46 E 4.2386 8.7121 119.1529 55.8349 30.6424 177.6555 47 A 4.2834 8.9083 123.0320 55.9187 18.3555 179.8525 48 D 4.5211 8.1634 113.0312 56.3670 41.0736 177.2261 49 K 4.5954 7.9509 117.1795 56.0473 32.5475 176.8309 50 A 3.8975 7.6776 124.5407 53.9203 18.9478 178.2638 51 Y 4.6284 7.4618 111.5633 55.6427 39.9487 175.7243 52 V 3.8024 8.3977 122.5099 63.9220 31.9967 175.2943 53 S 4.7602 8.8934 119.6728 57.4964 66.1955 173.6822 54 N 5.2488 8.5752 114.5337 52.3664 39.6813 176.0976 55 E 3.9741 8.3369 118.8957 59.8228 29.3572 179.2170 56 S 4.0430 8.8547 115.6335 60.7491 62.8589 176.0752 57 A 2.5800 7.6300 123.2804 53.6930 17.7176 179.0691 58 I 3.5469 6.8823 115.9396 63.8140 38.0207 177.2375 59 R 4.2239 7.5394 116.5321 56.0407 30.5502 176.4644 60 F 5.0049 7.1728 117.9725 56.1794 41.0370 177.6443 61 G 4.0447 8.2774 117.2539 46.2814 0.0000 176.1553 62 S 4.6392 8.4368 115.0265 58.1678 61.8259 174.3270 63 V 4.4560 7.2058 107.2048 61.1704 33.2185 177.5903 64 S 4.5260 8.2167 114.6384 59.3414 63.6358 173.4461 65 C 4.0502 8.0764 119.2977 61.5648 27.9642 173.1239 66 L 3.6584 8.4630 123.1329 55.6230 38.9965 173.1541 67 Y 4.4402 7.7468 119.5425 55.9792 39.9909 174.6150 68 Y 4.8472 7.1962 123.2879 56.2545 42.3411 174.7630 69 D 4.4614 8.8385 123.5370 55.4543 41.6569 176.7944 70 N 4.4261 8.8988 117.0553 54.3031 35.9193 176.0481 71 R 3.9478 7.9890 118.9458 59.3262 30.3624 177.2117 72 Y 4.3531 7.6725 114.7121 57.9315 38.3454 175.2784 73 W 5.0372 8.6647 124.2894 55.4624 32.5508 174.6461 74 T 4.2887 8.0821 117.1835 62.5752 69.4059 174.6629 75 M 4.6007 8.5285 126.7829 55.3495 33.1616 175.1939 76 W 4.8514 9.6166 135.0000 56.3878 31.3933 176.9898 77 K 3.4570 8.6130 128.7819 57.4818 30.7848 178.3329 78 L 4.9326 8.3325 124.0406 52.6651 45.2235 174.0237 79 P 4.3648 0.0000 0.0000 63.3426 32.0391 177.5632 80 M 4.2979 8.5984 123.2355 53.7080 30.4154 175.4416 81 F 4.4057 7.4235 118.9464 58.7230 40.0036 176.3504 82 G 3.9713 9.1070 112.4108 45.7270 0.0000 172.8758 83 C 4.3524 7.8023 120.5763 59.3217 31.8666 173.2712 84 R 4.5474 8.5876 123.4746 55.5048 31.5855 174.1813 85 D 4.8350 7.8705 118.7512 51.7272 42.2958 174.7650 86 P 4.3231 0.0000 0.0000 66.0017 31.2863 178.5367 87 M 4.1299 8.2337 117.1009 58.2826 31.9641 178.3440 88 Q 3.9856 7.9462 119.9892 59.0183 29.2204 178.5330 89 V 3.6182 7.7367 118.7896 66.0963 31.7915 177.7924 90 L 4.0339 7.9623 118.7260 58.0055 41.3793 179.8348 91 R 3.9895 8.2698 118.0228 59.2257 29.9043 178.9625 92 E 4.1194 8.1350 118.0780 59.1261 29.4660 179.2200 93 I 3.5255 7.8250 120.0534 64.2770 37.2041 178.4709 94 V 3.4646 7.6374 118.4882 65.9970 31.3813 177.8370 95 A 3.9448 8.0310 120.4829 55.2240 18.2402 179.1908 96 C 2.0000 7.6947 117.6228 62.0932 31.2732 175.9970 97 T 3.7578 7.5708 111.2733 64.3573 68.0086 176.4670 98 K 3.8149 7.6981 121.7501 59.3231 32.3185 178.4505 99 A 3.9643 7.5510 119.9417 53.4638 19.7108 177.6301 100 F 4.7322 7.6687 115.6436 55.0469 39.0710 173.9966 101 P 4.4298 0.0000 0.0000 64.2496 31.8915 177.9237 102 D 4.6821 8.0811 116.8077 53.8602 41.1521 175.3961 103 A 4.7462 7.2972 121.2164 50.3428 21.4014 177.0573 104 Y 4.2325 8.5576 117.9344 57.8357 39.3491 175.2193 105 V 5.1929 8.9626 123.4316 61.1216 35.1686 174.3092 106 R 5.0344 9.4997 123.8498 54.2778 32.9739 173.8035 107 L 4.8597 8.0771 123.3182 53.8954 44.0154 175.6834 108 V 4.9033 8.5527 118.1249 59.6748 36.5635 174.0227 109 A 4.9214 7.9053 121.6807 50.7216 22.8705 175.2961 110 F 5.2142 9.0445 119.7039 55.6987 42.7147 174.0282 111 D 5.3826 8.8366 122.7237 52.8375 42.3063 176.6357 112 N 4.7681 9.1504 122.8336 54.0726 38.4615 176.3424 113 Q 4.1926 8.6597 118.6895 58.8767 29.0092 177.5675 114 K 4.0317 8.3008 114.8517 56.9630 33.0217 176.5083 115 Q 3.4527 7.9890 118.5697 56.0128 27.0340 172.5924 116 V 4.5267 7.7599 117.3131 60.0410 35.0610 174.2443 117 Q 4.3233 8.7007 123.1320 56.4332 29.3237 175.4866 118 I 4.1993 8.1398 124.9591 61.3162 39.7185 174.3707 119 M 4.5600 6.6432 117.4844 54.2271 34.4172 173.6866 120 G 4.7884 8.2610 108.1935 47.2431 0.0000 172.1985 121 F 5.0269 7.0532 116.2247 55.3406 41.1564 172.7399 122 L 4.5786 8.8348 122.7901 55.5180 41.9532 176.7448 123 V 4.4987 8.8693 118.6719 61.6256 34.0715 175.7794 124 Q 4.6307 7.8524 120.9722 54.2952 32.5212 173.4415 125 R 4.3923 8.1474 121.3622 52.9509 32.7347 173.5042 126 P 4.1977 0.0000 0.0000 62.7745 31.7284 177.6181 127 K 4.0847 8.4448 119.6827 59.2384 32.1514 178.1340 128 T 4.1624 7.7541 106.6641 61.9556 69.4166 174.7584 129 A 4.2171 7.7590 126.4027 52.9166 18.5477 177.4353 130 R 4.5719 8.7969 120.5112 56.0501 31.6285 175.6800 131 D 4.8956 8.3234 117.8779 52.8099 39.7355 175.5723 132 F 5.3383 7.8014 112.9986 55.5198 41.0271 173.7215 133 Q 4.4363 8.3589 120.1245 53.0147 31.3284 174.1816 134 P 4.4643 0.0000 0.0000 62.3116 32.3837 176.9809 135 A 3.9611 8.9186 123.8644 55.6918 18.1400 179.4143 136 N 4.6099 8.0951 109.1517 54.1015 37.7861 175.5204 137 K 4.4106 7.9136 118.1152 56.3681 32.6778 177.4406 138 R 3.5781 7.6372 121.5553 57.7469 30.1405 176.7311 139 S 5.0968 7.5043 110.0275 56.2760 65.9759 174.2314 140 V 3.9815 8.5445 114.6225 61.6975 31.9253 175.6868 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 2 M 8.30 4.53 0.00 1.98 2.15 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.58 0.00 3 V 8.05 4.13 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 1.10 0.00 0.00 0.97 0.00 0.00 4 W 9.07 4.51 0.00 3.43 3.04 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 5 T 8.04 4.06 4.08 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 0.00 0.00 0.99 0.00 0.00 6 P 0.00 4.53 0.00 2.23 2.19 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 7 V 7.40 4.07 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 0.77 0.00 0.00 0.91 0.00 0.00 8 N 8.61 4.18 0.00 2.88 2.90 0.00 0.00 6.79 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 N 7.58 5.05 0.00 2.65 2.68 0.00 0.00 7.30 6.68 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 10 K 8.36 4.17 0.00 1.95 1.55 0.00 0.61 0.00 0.00 1.15 0.00 0.00 2.53 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.33 1.37 7.81 11 M 8.35 5.05 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.68 0.00 12 F 8.22 4.62 0.00 3.13 3.07 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 0.00 0.00 0.00 13 E 8.38 3.51 0.00 2.14 1.73 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 2.20 2.14 0.00 14 T 8.36 3.81 4.16 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 0.00 0.00 0.19 0.00 0.00 15 F 8.99 4.50 0.00 3.30 3.12 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 0.00 0.00 0.00 16 S 8.21 4.50 0.00 4.16 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 17 Y 8.30 4.41 0.00 3.02 3.19 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 18 L 7.56 4.72 0.00 1.87 1.61 0.91 0.85 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 19 P 0.00 4.41 0.00 2.03 2.01 0.00 3.70 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 2.03 2.14 0.00 20 P 0.00 4.34 0.00 2.05 2.01 0.00 3.70 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 2.07 2.17 0.00 21 L 8.29 4.00 0.00 1.60 1.50 0.28 0.55 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 22 T 8.18 4.25 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 1.18 0.00 0.00 23 D 8.46 4.33 0.00 2.71 2.76 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 24 E 8.08 3.94 0.00 2.02 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 25 Q 7.92 3.92 0.00 2.32 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.25 2.32 0.00 26 I 8.00 3.71 2.05 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 1.66 0.70 1.08 0.00 0.00 27 A 8.22 4.02 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 28 A 8.04 3.96 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 29 Q 8.10 4.10 0.00 2.48 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.36 1.91 0.00 30 V 8.22 3.73 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 1.15 0.00 0.00 1.11 0.00 0.00 31 D 8.50 4.44 0.00 2.98 2.76 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 32 Y 8.19 4.17 0.00 3.11 3.33 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 33 I 7.97 3.94 2.16 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.38 1.09 0.00 0.00 34 V 7.92 3.54 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 1.04 0.00 0.00 1.01 0.00 0.00 35 A 8.10 3.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.05 4.07 0.00 1.44 1.42 0.00 0.00 7.03 7.32 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 37 G 7.30 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 W 7.43 4.96 0.00 3.39 3.07 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 0.00 0.00 0.00 39 I 8.92 4.39 2.12 0.00 0.00 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 1.47 0.97 0.75 0.00 0.00 40 P 0.00 4.91 0.00 2.09 1.99 0.00 3.80 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 41 C 8.83 5.00 0.00 3.11 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 42 L 8.75 5.31 0.00 1.87 1.64 0.91 0.83 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 43 E 9.21 5.60 0.00 2.05 2.05 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 2.36 2.33 0.00 44 F 9.07 5.65 0.00 3.05 3.04 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 45 A 8.39 4.50 -0.17 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 0.00 0.00 0.00 0.00 0.00 46 E 8.71 4.24 0.00 2.18 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 0.00 2.30 2.28 0.00 47 A 8.91 4.28 1.49 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 48 D 8.16 4.52 0.00 2.71 2.78 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 49 K 7.95 4.60 0.00 1.52 1.69 0.00 1.71 0.00 0.00 1.84 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.43 7.81 50 A 7.68 3.90 0.62 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 51 Y 7.46 4.63 0.00 2.93 2.76 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 52 V 8.40 3.80 1.96 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 0.65 0.00 0.00 0.77 0.00 0.00 53 S 8.89 4.76 0.00 4.05 3.99 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 54 N 8.58 5.25 0.00 2.76 2.83 0.00 0.00 6.59 7.66 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 55 E 8.34 3.97 0.00 2.15 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 56 S 8.85 4.04 0.00 3.98 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 57 A 7.63 2.58 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 6.88 3.55 1.78 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 1.47 0.81 0.85 0.00 0.00 59 R 7.54 4.22 0.00 1.90 2.01 0.00 3.20 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 60 F 7.17 5.00 0.00 2.99 2.79 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 61 G 8.28 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 0.00 0.00 0.00 62 S 8.44 4.64 0.00 3.86 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 63 V 7.21 4.46 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 0.66 0.00 0.00 0.48 0.00 0.00 64 S 8.22 4.53 0.00 4.10 4.28 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 65 C 8.08 4.05 0.00 2.97 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 66 L 8.46 3.66 0.00 1.79 1.77 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 67 Y 7.75 4.44 0.00 2.92 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 68 Y 7.20 4.85 0.00 2.79 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 69 D 8.84 4.46 0.00 2.79 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 70 N 8.90 4.43 0.00 3.06 3.24 0.00 0.00 7.00 7.66 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 71 R 7.99 3.95 0.00 1.50 1.68 0.00 3.07 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.56 0.00 72 Y 7.67 4.35 0.00 3.06 2.88 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 73 W 8.66 5.04 0.00 3.07 3.17 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 0.00 0.00 0.00 74 T 8.08 4.29 2.87 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 0.94 0.00 0.00 75 M 8.53 4.60 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.78 0.00 76 W 9.62 4.85 0.00 3.71 3.32 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 77 K 8.61 3.46 0.00 1.66 0.74 0.00 1.54 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.87 0.21 7.81 78 L 8.33 4.93 0.00 1.60 1.58 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.36 0.00 0.67 1.82 0.00 3.67 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 1.96 2.12 0.00 80 M 8.60 4.30 0.00 2.05 2.01 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 2.61 2.54 0.00 81 F 7.42 4.41 0.00 3.11 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 82 G 9.11 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 83 C 7.80 4.35 0.00 2.96 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 84 R 8.59 4.55 0.00 1.79 1.86 0.00 3.22 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 85 D 7.87 4.83 0.00 2.74 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 86 P 0.00 4.32 0.00 2.22 2.20 0.00 3.67 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 87 M 8.23 4.13 0.00 2.04 2.26 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 2.70 2.56 0.00 88 Q 7.95 3.99 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 89 V 7.74 3.62 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 1.05 0.00 0.00 0.97 0.00 0.00 90 L 7.96 4.03 0.00 1.91 1.72 0.95 1.02 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 91 R 8.27 3.99 0.00 2.04 2.01 0.00 3.14 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 92 E 8.14 4.12 0.00 2.23 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 2.61 2.65 0.00 93 I 7.82 3.53 1.99 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 1.35 0.90 0.86 0.00 0.00 94 V 7.64 3.46 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 0.97 0.00 0.00 0.93 0.00 0.00 95 A 8.03 3.94 1.53 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 0.00 0.00 96 C 7.69 2.00 0.00 1.23 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 0.00 0.00 0.00 97 T 7.57 3.76 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 1.14 0.00 0.00 98 K 7.70 3.81 0.00 1.79 1.97 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.38 7.81 99 A 7.55 3.96 1.10 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 0.00 0.00 100 F 7.67 4.73 0.00 2.81 2.78 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 0.00 101 P 0.00 4.43 0.00 2.12 2.11 0.00 3.25 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.87 0.00 102 D 8.08 4.68 0.00 2.68 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 0.00 103 A 7.30 4.75 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 0.00 104 Y 8.56 4.23 0.00 2.52 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 0.00 105 V 8.96 5.19 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 1.10 0.00 0.00 0.89 0.00 0.00 106 R 9.50 5.03 0.00 1.83 1.91 0.00 2.30 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.33 0.00 107 L 8.08 4.86 0.00 1.49 0.73 0.91 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 108 V 8.55 4.90 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 0.54 0.00 0.00 0.55 0.00 0.00 109 A 7.91 4.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.04 5.21 0.00 3.00 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 0.00 111 D 8.84 5.38 0.00 2.41 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 0.00 112 N 9.15 4.77 0.00 2.94 3.06 0.00 0.00 6.31 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 0.00 113 Q 8.66 4.19 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.04 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 114 K 8.30 4.03 0.00 1.76 1.87 0.00 2.13 0.00 0.00 1.62 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.46 7.81 115 Q 7.99 3.45 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.72 0.00 0.00 0.00 0.00 0.00 2.25 2.31 0.00 116 V 7.76 4.53 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 0.52 0.00 0.00 0.91 0.00 0.00 117 Q 8.70 4.32 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.89 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 118 I 8.14 4.20 1.20 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.28 -0.51 0.00 0.00 119 M 6.64 4.56 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.74 0.00 120 G 8.26 4.79 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 0.00 121 F 7.05 5.03 0.00 3.22 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 0.00 122 L 8.83 4.58 0.00 1.65 1.64 0.77 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.87 4.50 2.10 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 0.71 0.00 0.00 0.91 0.00 0.00 124 Q 7.85 4.63 0.00 1.99 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 125 R 8.15 4.39 0.00 1.27 1.52 0.00 2.21 0.00 0.00 2.91 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.26 0.00 126 P 0.00 4.20 0.00 2.10 2.15 0.00 2.20 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 127 K 8.44 4.08 0.00 1.74 1.92 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.39 7.81 128 T 7.75 4.16 4.27 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 1.22 0.00 0.00 129 A 7.76 4.22 1.55 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 0.00 0.00 130 R 8.80 4.57 0.00 1.81 1.92 0.00 3.20 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 131 D 8.32 4.90 0.00 2.91 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 0.00 132 F 7.80 5.34 0.00 3.21 3.16 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 0.00 0.00 0.00 133 Q 8.36 4.44 0.00 1.87 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.04 0.00 0.00 0.00 0.00 0.00 2.31 2.04 0.00 134 P 0.00 4.46 0.00 2.19 2.17 0.00 3.55 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.87 0.00 135 A 8.92 3.96 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 136 N 8.10 4.61 0.00 2.83 2.95 0.00 0.00 5.89 7.13 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 0.00 137 K 7.91 4.41 0.00 1.60 1.71 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.30 7.81 138 R 7.64 3.58 0.00 1.67 0.66 0.00 3.10 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.18 0.00 139 S 7.50 5.10 0.00 4.07 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 0.00 140 V 8.54 3.98 2.05 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 0.62 0.00 0.00 0.97 0.00 0.00