NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 A 4.0708 8.1227 123.6190 53.6262 19.8249 179.5547 14 E 2.7217 7.8166 113.2065 57.1251 32.2588 175.9126 15 A 3.9662 8.3219 124.0989 55.2244 20.2932 178.9161 16 G 4.2532 8.1174 103.7371 48.1981 0.0000 174.9853 17 I 3.6409 7.1275 119.4929 63.7937 37.4280 177.0746 18 T 3.9983 7.6258 117.2106 63.1199 69.0087 174.6310 19 G 3.5018 7.3525 113.1379 44.7407 0.0000 171.1045 20 T 4.6044 7.4986 117.1051 61.4927 70.3031 174.4128 21 W 4.7150 7.9244 124.9296 54.8771 33.1490 174.0658 22 Y 5.3389 9.1680 119.6133 56.5030 41.8995 174.8330 23 N 5.4784 8.6882 120.1744 50.3872 40.1242 175.7172 24 Q 4.1232 8.7802 116.8610 58.6986 28.7780 177.5900 25 L 4.4225 8.1658 115.1048 54.4983 41.9058 177.1907 26 G 4.0578 8.1770 107.1766 44.9708 0.0000 173.7884 27 S 5.0308 8.4954 116.1455 58.2798 64.9176 173.3638 28 T 5.0988 8.6708 118.8596 61.7164 72.1728 173.1026 29 F 5.2716 8.2928 119.7900 54.9665 41.8920 173.7359 30 I 4.9401 8.6537 121.1969 59.5182 39.8945 175.0896 31 V 4.8915 8.5446 125.8815 60.2280 35.2303 174.3669 32 T 4.7923 8.7656 120.0350 61.8259 70.6990 173.3065 33 A 4.5694 8.6234 129.6655 50.9465 18.9863 177.2201 34 G 4.0113 9.3141 110.4559 45.2620 0.0000 174.4169 35 A 4.3732 8.7916 123.2060 54.7894 18.7147 178.5664 36 D 4.7316 8.0049 115.0729 54.0859 41.2814 177.4725 37 G 3.1951 7.8619 106.2655 44.8057 0.0000 173.2519 38 A 4.7392 7.6349 121.5580 51.2075 20.6579 176.3575 39 L 5.2767 8.7092 122.3608 53.5095 45.0470 175.5011 40 T 4.9500 9.2228 115.8702 59.4715 72.4492 174.3651 41 G 4.6917 7.6437 108.4389 46.2643 0.0000 171.3470 42 T 5.0838 7.6441 110.6510 60.1791 72.7641 172.5292 43 Y 5.0213 9.1491 125.3444 55.8795 41.6024 173.7984 44 E 5.3620 8.9237 127.6580 54.4413 31.7047 176.4749 45 S 4.5575 9.5592 122.7502 60.5655 63.8284 174.4083 46 A 4.6067 7.9036 122.4624 50.0470 21.3786 177.0268 47 V 3.5583 8.2827 123.3622 66.0049 31.1188 176.9830 48 G 3.6078 7.5202 108.1087 47.2637 0.0000 172.2020 49 N 4.6305 8.1636 114.1292 50.4144 38.9163 176.5655 50 A 4.0690 8.4521 124.4844 54.4640 19.1388 177.3680 51 E 4.6322 7.2783 115.4912 54.9127 29.8727 174.5016 52 S 4.7526 8.6167 112.8900 58.4296 63.8669 174.1545 53 R 5.0327 7.5769 120.3620 56.0574 30.7246 175.4511 54 Y 4.8260 9.1256 121.1306 55.6435 42.4821 175.1743 55 V 4.2025 8.6962 122.8988 63.2462 32.4884 175.0079 56 L 5.1280 8.9072 127.4484 54.3821 43.6832 175.1882 57 T 4.9538 8.3490 114.7180 61.2694 71.5783 173.2478 58 G 4.3156 8.4494 112.7031 46.3989 0.0000 171.9726 59 R 5.5267 8.7066 117.4954 54.8441 34.8912 174.1439 60 Y 5.1785 8.5806 118.5554 55.4962 41.5122 174.7117 61 D 4.6328 9.0566 121.9576 52.5395 41.7774 175.6649 62 S 4.4306 8.3111 120.5526 58.0034 63.2450 173.1170 63 A 4.6544 8.1387 128.3901 49.8376 21.8715 173.9882 64 P 4.2717 0.0000 0.0000 62.8276 31.5237 175.6535 65 A 4.7533 8.5885 126.6833 50.4788 20.8044 175.7730 66 T 4.6263 8.5739 111.3071 61.4184 69.5245 174.2260 67 D 4.6746 7.6752 118.9621 53.2598 40.3476 175.2894 68 G 3.9110 8.4631 105.4252 47.0995 0.0000 174.8094 69 S 4.2487 8.0682 114.5904 57.9516 63.3871 174.4418 70 G 4.2471 8.2884 110.1860 46.0779 0.0000 172.7749 71 T 4.8140 8.6925 116.7429 61.4792 70.3558 174.6051 72 A 4.8288 8.6873 129.3836 52.1033 19.9600 175.9211 73 L 5.0996 8.8808 120.8050 55.3049 44.7683 174.4062 74 G 5.0529 9.0002 104.9814 45.4957 0.0000 172.1666 75 W 5.7894 8.1567 116.7757 55.4020 31.9599 173.3006 76 T 5.1390 9.1995 117.2463 61.7880 71.7125 173.3105 77 V 4.2390 8.6011 124.7518 60.8548 34.1959 174.0993 78 A 4.2164 8.3271 129.8532 50.3003 19.6793 178.1596 79 W 4.3254 8.4449 125.2545 54.9031 27.8954 175.9061 80 K 5.3808 7.7834 118.5599 54.8966 35.6263 174.9223 81 N 4.8125 8.7472 122.6735 52.6237 39.1171 173.8294 82 N 4.4436 8.5577 113.8847 55.3319 38.8233 175.1297 83 Y 4.6113 8.6724 114.5830 57.8081 40.3914 175.7187 84 R 4.6906 7.7853 118.5755 55.1104 33.0285 173.2462 85 N 5.3859 8.5487 121.6496 52.0868 39.6866 173.5693 86 A 4.2713 9.3276 126.9464 51.9891 19.4952 176.8244 87 H 4.1142 8.2512 113.2199 55.9020 26.9027 173.7277 88 S 5.2080 7.5186 110.6140 57.9055 66.6999 174.2645 89 A 4.9200 8.8529 121.4577 50.8172 22.8331 175.2100 90 T 5.0267 8.5976 118.1569 61.7467 71.8319 173.3388 91 T 4.9767 8.3234 115.4610 59.6505 71.7357 172.9228 92 W 5.0045 8.7007 124.9030 54.7258 32.0711 174.5096 93 S 4.9356 8.5959 119.3410 56.6443 64.7043 173.1306 94 G 4.5135 8.3805 112.7292 46.7477 0.0000 171.6144 95 Q 5.2548 8.3606 118.2195 54.8943 32.8769 173.6030 96 Y 4.9306 9.0211 123.4202 56.9757 40.5639 174.1092 97 V 4.2083 8.3710 126.4080 61.1367 34.5449 175.6285 98 G 4.0390 7.8604 117.3059 43.3921 0.0000 169.6192 99 G 3.7716 8.7491 103.3136 44.0995 0.0000 173.0270 100 A 4.1345 8.8750 121.3220 54.6332 18.7665 178.4460 101 E 4.6099 7.7032 112.6351 53.9836 28.9389 174.8693 102 A 4.3579 7.9518 126.4799 53.3176 19.6442 177.1942 103 R 5.3766 8.8063 117.9500 54.9179 34.0864 173.8915 104 I 4.9440 8.7514 119.9869 59.7629 40.2064 174.3965 105 N 5.4386 8.9600 125.1769 51.9276 40.6814 174.4060 106 T 5.3628 9.1947 112.9310 60.1493 72.9070 172.6948 107 Q 5.2386 8.8967 121.2327 53.9440 32.3595 174.7055 108 W 5.3675 8.4722 118.3300 54.6448 32.4073 173.9165 109 L 5.1880 8.6409 120.4605 53.0145 44.6216 175.1728 110 L 5.0297 9.0907 126.7658 53.7704 44.0955 174.9323 111 T 5.0686 8.6456 123.4697 62.0307 70.9617 173.8681 112 S 5.1112 8.6086 122.1454 56.5693 65.1723 174.3822 113 G 3.8543 8.7269 111.5776 46.6029 0.0000 173.0856 114 T 4.7861 8.3778 114.7276 59.2434 72.2507 173.3127 115 T 4.3360 8.0310 111.6991 61.2485 69.5669 175.2927 116 E 4.0638 8.6853 120.8104 59.1554 29.1430 179.2620 117 A 4.1292 8.1513 120.0167 54.5433 18.7108 178.1696 118 N 4.8121 7.9013 112.2712 53.2354 39.0267 176.7569 119 A 4.2719 8.0274 126.6095 54.2934 18.2318 180.0547 120 W 4.3011 8.4756 113.2782 58.3941 28.4618 176.7714 121 K 3.9552 6.7880 118.1281 56.2394 32.2240 177.4967 122 S 4.2055 7.8583 116.8407 60.7445 63.5269 173.4025 123 T 5.0873 7.6267 117.2165 61.6922 70.7486 173.6782 124 L 4.7167 8.8330 127.0115 53.5463 43.9257 176.1114 125 V 4.4617 7.7986 120.4092 60.3943 34.3197 175.3962 126 G 3.1511 6.4203 107.6315 45.9664 0.0000 171.3891 127 H 5.4018 8.0365 113.9161 54.4519 31.9257 172.6308 128 D 4.9832 9.3323 118.3898 53.3136 45.4594 174.3560 129 T 5.1857 8.5461 118.1879 61.8844 71.8212 172.9771 130 F 5.5522 9.4661 124.6106 56.1006 42.2454 174.6871 131 T 5.4305 9.2970 111.9636 60.0169 72.3839 174.6577 132 K 3.9364 8.8037 119.5200 57.1523 32.5899 177.6270 133 V 3.9290 7.6627 123.5183 62.8161 31.6290 174.8448 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 13 A 8.12 4.07 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 14 E 7.82 2.72 0.00 2.25 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 2.28 2.41 0.00 15 A 8.32 3.97 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 16 G 8.12 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 0.00 0.00 0.00 0.00 17 I 7.13 3.64 1.50 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 -0.36 0.56 0.00 0.00 18 T 7.63 4.00 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 1.15 0.00 0.00 19 G 7.35 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 20 T 7.50 4.60 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 0.61 0.00 0.00 21 W 7.92 4.71 0.00 1.78 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 22 Y 9.17 5.34 0.00 2.92 2.82 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 0.00 0.00 0.00 23 N 8.69 5.48 0.00 2.62 2.36 0.00 0.00 7.11 7.72 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 24 Q 8.78 4.12 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.15 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 25 L 8.17 4.42 0.00 1.80 1.75 1.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.18 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 0.00 0.00 0.00 27 S 8.50 5.03 0.00 4.09 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 28 T 8.67 5.10 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 0.89 0.00 0.00 29 F 8.29 5.27 0.00 2.89 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 30 I 8.65 4.94 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.38 0.82 0.00 0.00 31 V 8.54 4.89 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 0.77 0.00 0.00 0.80 0.00 0.00 32 T 8.77 4.79 4.21 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 0.00 0.00 0.00 1.19 0.00 0.00 33 A 8.62 4.57 0.80 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 0.00 0.00 34 G 9.31 4.01 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 0.00 0.00 0.00 35 A 8.79 4.37 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 36 D 8.00 4.73 0.00 2.65 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 37 G 7.86 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 0.00 0.00 0.00 38 A 7.63 4.74 1.29 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 0.00 0.00 0.00 39 L 8.71 5.28 0.00 1.98 1.51 0.83 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.22 4.95 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 1.21 0.00 0.00 41 G 7.64 4.69 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 42 T 7.64 5.08 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 1.22 0.00 0.00 43 Y 9.15 5.02 0.00 2.90 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 0.00 44 E 8.92 5.36 0.00 2.01 1.74 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 2.33 2.27 0.00 45 S 9.56 4.56 0.00 4.13 4.49 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 46 A 7.90 4.61 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 47 V 8.28 3.56 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 0.85 0.00 0.00 1.07 0.00 0.00 48 G 7.52 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 49 N 8.16 4.63 0.00 2.83 2.89 0.00 0.00 7.06 6.98 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 50 A 8.45 4.07 1.24 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 0.00 0.00 0.00 51 E 7.28 4.63 0.00 1.54 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 2.07 2.26 0.00 52 S 8.62 4.75 0.00 4.26 4.15 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 53 R 7.58 5.03 0.00 1.64 1.89 0.00 3.14 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 54 Y 9.13 4.83 0.00 2.96 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 55 V 8.70 4.20 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 0.79 0.00 0.00 0.95 0.00 0.00 56 L 8.91 5.13 0.00 1.70 1.65 0.56 -0.03 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 57 T 8.35 4.95 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 1.23 0.00 0.00 58 G 8.45 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 0.00 0.00 0.00 0.00 59 R 8.71 5.53 0.00 1.75 1.77 0.00 3.25 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.72 0.00 60 Y 8.58 5.18 0.00 2.99 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 61 D 9.06 4.63 0.00 2.66 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 62 S 8.31 4.43 0.00 3.85 3.73 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 63 A 8.14 4.65 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 64 P 0.00 4.27 0.00 2.21 2.12 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 65 A 8.59 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 66 T 8.57 4.63 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 1.23 0.00 0.00 67 D 7.68 4.67 0.00 2.75 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 68 G 8.46 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 69 S 8.07 4.25 0.00 3.90 3.84 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 70 G 8.29 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 0.00 0.00 0.00 0.00 71 T 8.69 4.81 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 1.50 0.00 0.00 72 A 8.69 4.83 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 73 L 8.88 5.10 0.00 2.04 1.94 1.23 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.00 5.05 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 0.00 0.00 0.00 75 W 8.16 5.79 0.00 3.35 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 76 T 9.20 5.14 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 1.18 0.00 0.00 77 V 8.60 4.24 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 -0.25 0.00 0.00 0.81 0.00 0.00 78 A 8.33 4.22 1.16 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 0.00 0.00 79 W 8.44 4.33 0.00 3.32 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 80 K 7.78 5.38 0.00 1.76 1.71 0.00 1.81 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.49 7.81 81 N 8.75 4.81 0.00 2.84 2.53 0.00 0.00 6.96 6.76 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 82 N 8.56 4.44 0.00 2.71 2.36 0.00 0.00 6.70 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 83 Y 8.67 4.61 0.00 2.99 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 7.79 4.69 0.00 2.04 2.00 0.00 3.27 0.00 0.00 3.37 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.87 0.00 85 N 8.55 5.39 0.00 2.74 2.76 0.00 0.00 6.99 7.98 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 86 A 9.33 4.27 1.36 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 0.00 0.00 87 H 8.25 4.11 0.00 3.37 3.35 0.00 5.85 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.52 5.21 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 89 A 8.85 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 90 T 8.60 5.03 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 -0.41 0.00 0.00 91 T 8.32 4.98 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 1.15 0.00 0.00 92 W 8.70 5.00 0.00 1.78 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 0.00 0.00 0.00 93 S 8.60 4.94 0.00 3.81 3.65 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 94 G 8.38 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.36 5.25 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.91 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 96 Y 9.02 4.93 0.00 3.03 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 97 V 8.37 4.21 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 0.82 0.00 0.00 0.89 0.00 0.00 98 G 7.86 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 99 G 8.75 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 0.00 100 A 8.87 4.13 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 0.00 101 E 7.70 4.61 0.00 2.10 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 2.18 2.28 0.00 102 A 7.95 4.36 1.60 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 0.00 0.00 103 R 8.81 5.38 0.00 2.23 2.16 0.00 2.95 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.84 0.00 104 I 8.75 4.94 1.92 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 -0.08 1.13 0.00 0.00 105 N 8.96 5.44 0.00 2.83 2.81 0.00 0.00 6.13 6.94 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 0.00 106 T 9.19 5.36 4.50 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 1.50 0.00 0.00 107 Q 8.90 5.24 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.48 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 108 W 8.47 5.37 0.00 2.65 2.42 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 0.00 109 L 8.64 5.19 0.00 1.54 1.55 0.88 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.09 5.03 0.00 1.63 1.66 0.94 0.27 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 0.00 111 T 8.65 5.07 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 1.20 0.00 0.00 112 S 8.61 5.11 0.00 3.71 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 0.00 113 G 8.73 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 0.00 0.00 0.00 114 T 8.38 4.79 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 0.00 115 T 8.03 4.34 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 1.22 0.00 0.00 116 E 8.69 4.06 0.00 2.02 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 2.42 2.34 0.00 117 A 8.15 4.13 1.36 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 0.00 0.00 118 N 7.90 4.81 0.00 2.76 2.76 0.00 0.00 6.84 7.87 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 0.00 119 A 8.03 4.27 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 0.00 120 W 8.48 4.30 0.00 3.61 3.23 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 0.00 121 K 6.79 3.96 0.00 1.14 0.74 0.00 1.16 0.00 0.00 1.56 0.00 0.00 2.69 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.77 0.95 7.81 122 S 7.86 4.21 0.00 4.17 4.14 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 0.00 123 T 7.63 5.09 4.21 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 0.00 0.00 0.00 1.24 0.00 0.00 124 L 8.83 4.72 0.00 1.80 1.72 nan 0.45 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 0.00 125 V 7.80 4.46 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 0.56 0.00 0.00 0.66 0.00 0.00 126 G 6.42 3.15 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 0.00 127 H 8.04 5.40 0.00 3.18 3.32 0.00 5.70 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 0.00 128 D 9.33 4.98 0.00 3.12 2.40 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 0.00 129 T 8.55 5.19 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 1.38 0.00 0.00 130 F 9.47 5.55 0.00 3.09 3.21 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 0.00 0.00 0.00 0.00 131 T 9.30 5.43 4.40 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 1.38 0.00 0.00 132 K 8.80 3.94 0.00 1.58 1.54 0.00 0.95 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 1.02 7.81 133 V 7.66 3.93 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 0.76 0.00 0.00 0.89 0.00 0.00