NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9089 8.3544 109.7362 43.6871 0.0000 173.2383 2 S 4.2509 7.3155 122.1532 57.2260 67.5801 176.3356 3 S 4.5625 8.1897 122.2740 56.5090 65.3877 172.9567 4 G 3.9762 7.7610 116.8107 45.5272 0.0000 168.7592 5 S 4.2915 8.8220 117.1010 59.0551 61.6771 172.0747 6 S 4.0403 7.8025 114.3545 62.3053 62.7150 175.4467 7 G 4.2807 6.9704 103.3683 43.5248 0.0000 170.6703 8 M 4.7455 7.5004 118.8849 55.8484 34.5452 173.8623 9 G 3.8805 8.2523 101.8749 43.9610 0.0000 174.1554 10 T 4.5611 8.6162 118.2997 60.7402 70.6090 175.2544 11 V 3.5985 8.2690 122.6242 65.6797 31.5058 178.0752 12 M 4.1702 8.0199 119.3480 57.7768 31.8048 178.0434 13 D 4.3839 7.6345 117.4597 57.8264 40.9588 179.1995 14 V 3.3018 9.1120 118.6042 66.2557 31.0582 178.0649 15 L 4.3363 8.2304 118.0084 57.5335 41.7532 178.9578 16 K 4.2215 8.0474 117.0759 59.3114 32.0862 179.1591 17 G 3.7918 8.8266 106.0817 46.7229 0.0000 173.6341 18 D 4.3248 7.5355 122.7836 53.3461 41.9264 176.4774 19 N 4.2494 8.6656 125.4450 56.5823 39.3824 176.6849 20 R 3.9264 7.4683 115.3110 57.7872 30.3601 177.0193 21 F 5.1174 6.7106 115.4908 56.9862 39.1543 177.2650 22 S 4.3410 7.9544 118.5921 61.3073 63.4584 175.2755 23 M 3.8803 7.7988 123.1763 57.2442 31.8064 178.4963 24 L 4.2015 7.5667 120.0036 58.1391 42.4513 178.3994 25 V 3.5577 7.6882 118.0275 66.4013 31.3600 177.4677 26 A 3.9206 8.1986 119.2798 55.5048 18.0114 179.2690 27 A 3.9995 8.2383 119.0503 55.3255 18.3806 179.9279 28 I 3.6014 7.5966 117.7186 64.5464 37.1262 177.9166 29 Q 3.9785 8.4419 119.4217 59.5185 28.8751 178.5130 30 S 4.2093 8.3041 112.5044 61.4694 62.5573 175.6849 31 A 4.1443 8.1218 122.6848 52.9234 18.5694 177.5242 32 G 3.7328 8.9054 104.9812 47.2420 0.0000 174.5788 33 L 4.4859 7.6780 118.6424 55.0191 43.5251 178.0272 34 T 3.8289 7.9203 115.8915 66.9173 68.2789 175.3892 35 E 3.9013 8.1921 119.2978 59.9615 29.3230 179.2051 36 T 3.8121 7.8439 113.4945 67.0194 68.6408 176.0950 37 L 4.0848 7.9823 118.4260 56.7824 41.7162 178.5947 38 N 4.4473 8.1911 117.5569 55.4264 39.3433 175.6218 39 R 4.1439 7.8380 119.4461 55.2011 30.7930 176.1162 40 E 4.5064 8.1398 119.7739 55.7727 30.6864 176.1017 41 G 3.9127 7.4414 106.2964 44.0057 0.0000 174.9777 42 V 4.7322 7.0846 117.8588 60.7713 35.5604 173.3937 43 Y 4.8370 8.1735 122.1559 57.9612 42.4792 173.9721 44 T 4.5210 8.7547 122.6126 62.8880 69.6136 174.0935 45 V 5.4768 7.7716 125.1867 60.1938 35.1122 174.4007 46 F 5.1820 9.0962 122.4989 54.6848 41.7884 174.2828 47 A 4.7272 8.3431 126.5085 49.4500 20.8953 174.6310 48 P 5.5621 0.0000 0.0000 62.1230 33.3623 175.7295 49 T 4.5846 8.2766 109.1535 61.6296 70.4121 173.5241 50 N 4.6514 8.9117 117.5998 57.1434 39.3749 177.4561 51 E 4.2585 8.2226 118.2608 58.2906 29.4496 178.6040 52 A 4.1077 7.6706 120.0085 55.0429 18.6480 179.4324 53 F 4.1106 8.3921 116.3615 60.7989 39.0442 178.2270 54 R 4.2700 8.4036 115.3680 59.2493 29.8015 178.3897 55 A 4.1354 7.7432 119.5608 53.8489 18.8835 178.2563 56 L 3.9106 7.7043 116.8431 54.6152 42.3909 175.6918 57 P 4.5705 0.0000 0.0000 61.6201 32.1889 175.0358 58 P 4.5048 0.0000 0.0000 63.9311 31.5872 177.2911 59 R 4.2097 7.8758 118.2034 58.4398 31.1068 177.4788 60 E 4.2640 8.0563 117.0862 58.6449 30.2104 177.2103 61 R 3.8380 8.2481 118.8810 59.9071 29.9411 177.7198 62 S 4.0463 8.2117 111.4450 61.8874 62.3219 176.4899 63 R 3.9166 7.8981 119.5854 59.5773 29.7458 178.1942 64 L 3.9718 7.8629 117.0045 58.3430 41.8427 179.7060 65 L 4.2725 8.1482 117.6461 55.9552 41.7136 178.9127 66 G 3.4876 8.7271 105.9976 45.1605 0.0000 175.1265 67 D 4.4001 6.0500 118.4559 54.2404 43.4744 175.1583 68 A 4.0376 8.5769 128.6514 54.9987 18.8376 179.2772 69 K 3.7711 8.1345 116.6162 60.2368 31.9373 179.0800 70 E 4.0263 8.0923 116.4289 59.6910 29.6678 178.2722 71 L 3.9711 7.7469 120.1994 57.4272 41.6204 178.3692 72 A 3.9782 8.9745 120.7774 55.4240 18.4512 178.9408 73 N 4.2977 8.1672 115.2873 57.1563 38.7586 177.0236 74 I 3.7777 7.5694 119.3078 64.4333 37.4796 177.9710 75 L 4.2031 8.0139 119.2110 57.8934 41.5373 179.4058 76 K 3.9179 9.2460 118.9298 59.9470 31.8996 178.5725 77 Y 4.2385 7.9820 117.2384 60.0237 38.9943 176.5206 78 H 4.4662 8.7110 116.8585 56.4046 29.2355 174.5681 79 I 4.8975 7.1447 121.3082 59.8068 39.8946 175.3768 80 G 4.3477 9.0275 112.5044 44.4056 0.0000 172.8731 81 D 5.2521 8.0750 117.0927 53.3168 41.8081 175.1518 82 E 4.6505 7.8166 112.0016 55.4622 32.1455 175.1010 83 I 4.4011 8.2699 121.3636 59.4215 37.2654 175.2546 84 L 4.6836 8.4086 127.7307 53.1471 43.6664 175.7985 85 V 4.6073 8.0083 118.1303 59.4353 36.0830 176.4369 86 S 4.4828 8.5749 116.8400 58.3079 60.4029 172.5682 87 G 3.9242 7.6008 111.3435 46.9488 0.0000 172.1154 88 G 4.3097 7.4613 107.4300 43.4643 0.0000 171.6923 89 I 4.5772 7.2209 133.1142 59.9575 36.1562 179.0777 90 G 4.8714 8.1437 126.5979 47.4588 0.0000 171.7969 91 A 4.7027 7.4951 121.0752 52.0459 24.4127 175.7348 92 L 4.7785 7.4720 114.8535 53.7011 45.5617 174.8086 93 V 4.4866 9.0047 123.9191 61.2030 35.3350 174.2646 94 R 4.8870 8.6604 126.1088 54.5218 31.7092 175.1574 95 L 4.3894 9.2725 128.7753 53.3521 43.8149 175.4924 96 K 4.5557 8.5709 128.5147 56.4620 32.9971 177.0215 97 S 4.9772 7.9375 120.9834 57.5667 64.8808 173.9540 98 L 4.3458 7.8356 119.5070 57.1623 41.9264 178.2632 99 Q 4.0226 8.2707 118.0416 58.8381 29.0190 176.4065 100 G 3.7780 7.4649 108.9939 45.8134 0.0000 174.1252 101 D 4.6913 8.1730 121.3409 53.5383 42.1051 176.3589 102 K 4.4647 8.6887 123.3454 56.3394 33.1323 176.4910 103 L 4.1717 9.4757 126.1844 54.0285 43.3074 175.3766 104 E 4.7985 8.4554 123.9449 55.2464 31.3461 175.1206 105 V 5.5155 9.1958 126.5040 60.7255 35.0745 173.9282 106 S 5.0040 8.6046 120.6324 56.6859 67.4298 172.2317 107 L 5.0831 8.4251 121.0325 53.2446 44.0606 175.4150 108 K 4.5038 8.6152 127.0199 55.8664 35.2733 175.7107 109 N 4.1700 9.7969 120.3276 54.1433 36.1752 174.2711 110 N 4.3967 8.3909 113.2747 53.7780 37.5726 173.4950 111 V 4.3512 8.4553 117.5335 60.9932 33.2749 174.4328 112 V 4.8320 8.0739 125.8343 61.8485 33.6944 174.5847 113 S 4.9911 8.5511 121.6329 56.9248 67.5165 173.7128 114 V 4.0758 8.3333 121.9668 60.4235 33.5365 175.1120 115 N 4.1256 9.0015 123.4290 54.2977 36.0084 175.2032 116 K 3.9690 8.3203 113.8869 57.2922 29.1875 175.6990 117 E 4.7261 7.3832 116.6634 53.5499 31.8496 173.6510 118 P 4.6582 0.0000 0.0000 62.8020 32.6791 175.5583 119 V 3.9419 7.9564 123.0388 62.2551 32.3575 175.1436 120 A 4.2376 9.8320 129.0116 53.7580 18.1587 178.7077 121 E 4.4922 7.8059 120.7072 53.9742 31.2432 173.6181 122 P 4.4944 0.0000 0.0000 62.7220 33.3739 175.4407 123 D 4.1983 8.6588 113.9418 55.1904 38.1001 175.0559 124 I 4.2716 7.2933 121.1226 59.2334 37.6873 174.9877 125 M 4.2833 8.3883 124.3199 55.1698 32.5360 176.1484 126 A 4.9885 8.1610 127.7908 50.6186 22.1278 175.4929 127 T 4.2153 8.4242 104.5757 64.4347 69.3929 175.6072 128 N 5.1271 7.3545 120.0689 49.8212 37.3993 173.3795 129 G 4.0477 7.0140 106.2853 46.9370 0.0000 171.1504 130 V 4.9219 6.9228 118.2724 60.1901 35.6648 174.5457 131 V 4.4869 8.0440 118.8063 61.8415 35.4831 173.5180 132 H 4.7056 8.4037 122.3942 53.6462 31.9157 172.7987 133 V 3.8838 8.4045 124.5567 63.0860 32.6102 175.1229 134 I 4.9545 8.5188 121.2773 59.7427 40.3875 175.9650 135 T 4.5550 8.0401 110.4957 62.2270 69.3656 174.4507 136 N 4.7451 7.6392 117.2758 52.0981 42.4441 174.2233 137 V 3.6473 8.1272 121.3298 62.6986 32.0179 176.1905 138 L 4.3568 8.5258 126.9403 54.8946 42.3393 176.1625 139 Q 4.4742 8.1429 117.8843 53.6523 32.5842 173.6086 140 P 3.1546 0.0000 0.0000 61.2744 32.2451 176.2340 141 S 4.0713 8.2330 114.2232 58.4749 63.1906 174.0186 142 G 3.8765 7.7295 111.4532 44.6426 0.0000 171.4374 143 P 4.3658 0.0000 0.0000 62.5109 30.4441 175.8882 144 S 4.6389 8.1985 119.5085 56.3156 61.9780 172.4420 145 S 4.5718 8.1827 118.1304 59.3942 68.0860 174.5294 146 G 4.1920 8.1633 111.8535 45.9897 0.0000 172.9349 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 G 8.35 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 2 S 7.32 4.25 0.00 3.86 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 3 S 8.19 4.56 0.00 3.83 3.74 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 4 G 7.76 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 0.00 0.00 0.00 5 S 8.82 4.29 0.00 4.03 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 6 S 7.80 4.04 0.00 3.89 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 0.00 7 G 6.97 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 0.00 0.00 0.00 8 M 7.50 4.75 0.00 1.93 1.95 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 2.46 2.49 0.00 9 G 8.25 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 0.00 0.00 0.00 0.00 10 T 8.62 4.56 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 11 V 8.27 3.60 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 0.81 0.00 0.00 0.91 0.00 0.00 12 M 8.02 4.17 0.00 2.05 2.16 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 2.67 2.56 0.00 13 D 7.63 4.38 0.00 3.02 2.75 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 14 V 9.11 3.30 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 1.03 0.00 0.00 0.96 0.00 0.00 15 L 8.23 4.34 0.00 1.79 1.83 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.05 4.22 0.00 1.86 1.88 0.00 1.76 0.00 0.00 1.86 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.67 7.81 17 G 8.83 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.54 4.32 0.00 2.95 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 0.00 0.00 0.00 19 N 8.67 4.25 0.00 2.72 2.67 0.00 0.00 7.10 7.60 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 20 R 7.47 3.93 0.00 0.67 1.74 0.00 3.12 0.00 0.00 3.78 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.41 0.00 21 F 6.71 5.12 0.00 3.20 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 22 S 7.95 4.34 0.00 3.99 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 23 M 7.80 3.88 0.00 1.41 1.73 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.44 0.00 24 L 7.57 4.20 0.00 2.02 1.75 1.07 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.69 3.56 2.23 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 0.96 0.00 0.00 1.02 0.00 0.00 26 A 8.20 3.92 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 27 A 8.24 4.00 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 28 I 7.60 3.60 2.01 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 1.54 1.02 0.91 0.00 0.00 29 Q 8.44 3.98 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.95 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 30 S 8.30 4.21 0.00 4.11 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 31 A 8.12 4.14 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 32 G 8.91 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 0.00 0.00 0.00 33 L 7.68 4.49 0.00 1.64 1.61 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 34 T 7.92 3.83 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 35 E 8.19 3.90 0.00 1.98 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 2.40 2.41 0.00 36 T 7.84 3.81 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 0.73 0.00 0.00 37 L 7.98 4.08 0.00 1.62 1.70 0.89 0.79 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 38 N 8.19 4.45 0.00 2.75 2.94 0.00 0.00 7.20 7.50 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 39 R 7.84 4.14 0.00 2.02 1.89 0.00 3.27 0.00 0.00 3.31 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 40 E 8.14 4.51 0.00 2.07 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 0.00 2.31 2.26 0.00 41 G 7.44 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 42 V 7.08 4.73 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 1.04 0.00 0.00 0.70 0.00 0.00 43 Y 8.17 4.84 0.00 2.86 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 44 T 8.75 4.52 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 1.04 0.00 0.00 45 V 7.77 5.48 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 0.87 0.00 0.00 0.99 0.00 0.00 46 F 9.10 5.18 0.00 2.91 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 47 A 8.34 4.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 5.56 0.00 2.21 2.21 0.00 3.59 0.00 0.00 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.76 0.00 49 T 8.28 4.58 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 1.43 0.00 0.00 50 N 8.91 4.65 0.00 2.85 2.85 0.00 0.00 6.95 7.60 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 51 E 8.22 4.26 0.00 2.11 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 0.00 2.44 2.40 0.00 52 A 7.67 4.11 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 53 F 8.39 4.11 0.00 3.23 3.13 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 0.00 0.00 0.00 54 R 8.40 4.27 0.00 1.98 2.07 0.00 3.23 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 55 A 7.74 4.14 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 56 L 7.70 3.91 0.00 1.75 1.61 0.60 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.57 0.00 2.21 2.18 0.00 3.67 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 2.06 1.94 0.00 58 P 0.00 4.50 0.00 2.21 2.21 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 59 R 7.88 4.21 0.00 1.81 2.01 0.00 3.19 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 1.58 1.60 0.00 60 E 8.06 4.26 0.00 2.04 1.90 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 2.27 2.37 0.00 61 R 8.25 3.84 0.00 1.90 2.04 0.00 3.31 0.00 0.00 3.33 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 62 S 8.21 4.05 0.00 4.05 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 0.00 63 R 7.90 3.92 0.00 2.19 1.99 0.00 3.25 0.00 0.00 3.54 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.83 0.00 64 L 7.86 3.97 0.00 1.86 1.78 0.93 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.15 4.27 0.00 1.75 1.77 0.98 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 66 G 8.73 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 6.05 4.40 0.00 2.81 2.57 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 68 A 8.58 4.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.13 3.77 0.00 1.77 1.91 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.55 1.51 7.81 70 E 8.09 4.03 0.00 1.93 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 2.31 2.36 0.00 71 L 7.75 3.97 0.00 2.06 1.70 1.02 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 72 A 8.97 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 N 8.17 4.30 0.00 3.02 2.95 0.00 0.00 7.16 8.13 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 74 I 7.57 3.78 2.02 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 1.67 0.91 0.96 0.00 0.00 75 L 8.01 4.20 0.00 1.86 1.76 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 76 K 9.25 3.92 0.00 2.13 2.06 0.00 1.77 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.56 7.81 77 Y 7.98 4.24 0.00 2.94 3.24 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 78 H 8.71 4.47 0.00 3.48 3.45 0.00 5.84 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 I 7.14 4.90 1.90 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 1.15 0.98 0.95 0.00 0.00 80 G 9.03 4.35 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 0.00 81 D 8.07 5.25 0.00 2.73 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 82 E 7.82 4.65 0.00 1.92 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 2.11 2.26 0.00 83 I 8.27 4.40 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.94 0.88 0.00 0.00 84 L 8.41 4.68 0.00 1.57 1.55 0.93 0.93 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 85 V 8.01 4.61 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 0.87 0.00 0.00 0.94 0.00 0.00 86 S 8.57 4.48 0.00 3.98 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 87 G 7.60 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 0.00 0.00 0.00 88 G 7.46 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 0.00 0.00 0.00 0.00 89 I 7.22 4.58 1.87 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 1.35 0.85 0.91 0.00 0.00 90 G 8.14 4.87 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 0.00 0.00 0.00 91 A 7.50 4.70 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 92 L 7.47 4.78 0.00 1.60 1.48 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 93 V 9.00 4.49 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.93 0.00 0.00 94 R 8.66 4.89 0.00 1.71 1.85 0.00 3.25 0.00 0.00 3.15 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 95 L 9.27 4.39 0.00 1.69 1.62 1.02 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 96 K 8.57 4.56 0.00 1.95 1.75 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.40 7.81 97 S 7.94 4.98 0.00 4.15 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 98 L 7.84 4.35 0.00 1.74 1.80 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.27 4.02 0.00 2.11 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.60 0.00 0.00 0.00 0.00 0.00 2.39 2.75 0.00 100 G 7.46 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 8.17 4.69 0.00 2.97 2.75 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 0.00 102 K 8.69 4.46 0.00 1.64 1.74 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.55 7.81 103 L 9.48 4.17 0.00 1.39 1.36 0.90 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 104 E 8.46 4.80 0.00 2.07 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 2.24 2.23 0.00 105 V 9.20 5.52 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 1.15 0.00 0.00 0.99 0.00 0.00 106 S 8.60 5.00 0.00 3.94 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 0.00 107 L 8.43 5.08 0.00 1.60 1.56 0.93 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.62 4.50 0.00 1.77 1.55 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.32 1.38 7.81 109 N 9.80 4.17 0.00 2.88 2.87 0.00 0.00 7.02 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 0.00 110 N 8.39 4.40 0.00 2.87 2.97 0.00 0.00 6.95 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 0.00 111 V 8.46 4.35 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 0.90 0.00 0.00 0.99 0.00 0.00 112 V 8.07 4.83 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 0.94 0.00 0.00 113 S 8.55 4.99 0.00 3.72 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 0.00 114 V 8.33 4.08 1.64 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 0.45 0.00 0.00 0.05 0.00 0.00 115 N 9.00 4.13 0.00 2.88 3.05 0.00 0.00 7.12 6.52 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 0.00 116 K 8.32 3.97 0.00 1.91 1.96 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.43 7.81 117 E 7.38 4.73 0.00 2.14 1.75 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 2.17 2.29 0.00 118 P 0.00 4.66 0.00 2.12 2.18 0.00 3.67 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 2.07 1.96 0.00 119 V 7.96 3.94 2.23 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 0.93 0.00 0.00 1.01 0.00 0.00 120 A 9.83 4.24 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 0.00 121 E 7.81 4.49 0.00 1.97 1.89 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 2.26 2.29 0.00 122 P 0.00 4.49 0.00 2.28 2.20 0.00 3.89 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 123 D 8.66 4.20 0.00 2.85 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 0.00 124 I 7.29 4.27 1.84 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 1.28 0.83 0.88 0.00 0.00 125 M 8.39 4.28 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.46 0.00 126 A 8.16 4.99 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 0.00 127 T 8.42 4.22 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 1.27 0.00 0.00 128 N 7.35 5.13 0.00 3.13 2.98 0.00 0.00 6.10 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.01 4.05 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 0.00 130 V 6.92 4.92 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 0.61 0.00 0.00 0.83 0.00 0.00 131 V 8.04 4.49 1.94 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 0.76 0.00 0.00 0.82 0.00 0.00 132 H 8.40 4.71 0.00 2.82 3.23 0.00 5.68 0.00 0.00 0.00 0.00 6.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 V 8.40 3.88 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 1.09 0.00 0.00 0.73 0.00 0.00 134 I 8.52 4.95 2.07 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.91 0.95 0.00 0.00 135 T 8.04 4.56 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 1.30 0.00 0.00 136 N 7.64 4.75 0.00 2.67 2.69 0.00 0.00 6.90 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.13 3.65 1.90 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 0.58 0.00 0.00 0.41 0.00 0.00 138 L 8.53 4.36 0.00 1.40 1.64 0.24 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 139 Q 8.14 4.47 0.00 1.92 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.01 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 140 P 0.00 3.15 0.00 1.79 1.20 0.00 3.57 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 141 S 8.23 4.07 0.00 3.95 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 0.00 142 G 7.73 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 0.00 0.00 0.00 0.00 143 P 0.00 4.37 0.00 2.17 2.11 0.00 3.68 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 144 S 8.20 4.64 0.00 3.78 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 0.00 145 S 8.18 4.57 0.00 3.82 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 0.00 146 G 8.16 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