NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.8206 8.3544 109.7215 44.8828 0.0000 173.9869 4 D 4.1248 8.6806 124.4275 53.9163 42.3151 175.3899 5 K 3.9073 9.5130 128.8474 59.7061 32.7695 178.5414 6 K 4.0115 8.2106 118.1849 58.8647 31.8380 179.5453 7 V 3.6239 7.9205 118.4040 66.1927 31.4593 177.9662 8 I 3.7197 7.5264 119.5598 64.4327 36.8683 178.3707 9 Q 3.9784 8.0556 118.9498 59.2297 28.4131 178.8014 10 H 4.1005 8.1486 117.0282 58.8159 28.8319 177.4977 11 L 3.9839 8.1854 121.0740 58.3316 41.5581 179.4420 12 N 4.5085 8.5362 116.3100 56.1276 38.3083 177.5662 13 K 3.8986 7.9359 121.0478 59.5760 32.4199 178.6780 14 I 3.6660 7.9517 120.4430 64.4631 36.9692 177.8778 15 L 4.0124 8.4751 121.3510 58.1882 42.0016 179.0152 16 G 3.7541 8.0713 105.4844 48.0929 0.0000 175.0501 17 N 4.3183 8.2565 119.2968 56.1743 38.3474 177.3009 18 E 3.9652 8.6410 120.0811 59.5106 29.6059 179.5413 19 L 3.9769 8.2451 119.2466 57.4939 41.5115 179.6332 20 I 3.6391 7.6310 119.2823 64.2671 37.0699 178.0286 21 A 3.2585 7.6589 121.4548 55.0577 18.0851 179.3358 22 I 3.5694 7.6681 118.3081 65.0343 37.1980 178.3991 23 N 4.3964 7.6420 116.0420 56.0361 38.3037 177.3235 24 Q 3.8606 8.2206 121.3379 59.6477 29.2349 178.1937 25 Y 4.7470 8.1704 119.4260 60.5304 37.8929 178.2711 26 F 3.9937 8.4466 121.8481 61.2147 39.5448 177.0432 27 L 4.0731 8.3601 120.1760 58.2052 41.7811 178.6641 28 H 3.8566 8.5356 116.7323 58.7040 28.6789 177.2529 29 S 4.3401 8.5458 115.3226 62.0424 62.1533 176.7713 30 R 3.9368 7.8803 119.7859 58.8152 29.8228 179.1266 31 M 3.4870 7.5503 119.0307 57.9399 31.8817 178.6390 32 W 4.4712 7.8983 119.1335 59.8818 29.2282 178.3851 33 N 4.3920 8.3610 116.4388 56.4211 37.7909 176.7748 34 D 4.3680 7.7252 118.2237 57.1222 41.2686 177.8531 35 W 4.8894 7.7504 116.8046 57.1907 29.1774 177.2296 36 G 4.1233 8.3431 107.8166 45.3086 0.0000 173.8061 37 L 4.8908 8.0072 122.1322 53.4825 40.2975 177.3650 38 K 4.1068 8.5350 121.6027 58.9159 32.2955 178.9557 39 R 3.8811 7.7470 119.4440 59.1997 29.8808 178.5449 40 L 3.8685 7.7035 118.6027 57.3653 41.6251 179.1910 41 G 3.8684 8.1872 105.5518 48.0914 0.0000 175.5693 42 A 4.0845 8.3867 123.5966 55.0065 18.3840 179.2728 43 H 4.0050 7.9774 117.0166 59.3095 29.4036 177.2020 44 E 4.0445 8.6634 121.5440 59.2720 29.4889 178.0008 45 Y 4.0967 8.1361 119.7566 61.0915 38.8058 177.9894 46 H 3.9741 8.1495 116.8300 58.5488 28.8055 177.4335 47 E 3.8397 8.0241 120.5504 59.4085 29.2660 179.3533 48 S 4.2225 8.0591 112.8529 61.5891 62.6052 175.9303 49 I 3.5380 7.4650 122.4273 64.7282 36.8722 177.8655 50 D 4.2631 8.0411 119.2374 57.6435 40.6550 178.9985 51 E 4.2434 7.9676 119.7124 59.1126 29.5053 179.2728 52 M 4.0837 8.0905 118.7587 58.1709 31.7826 178.8977 53 K 4.0430 7.8546 118.6749 59.4290 32.3320 178.9663 54 H 4.2630 8.2453 116.3935 58.9173 28.5502 177.6809 55 A 4.0510 7.9689 122.5854 54.8488 18.2212 179.1175 56 D 4.2578 8.0416 116.5906 57.6491 41.2547 178.8187 57 K 4.0535 7.8317 118.7739 59.2215 31.8974 179.5105 58 L 4.0239 7.9504 119.4740 57.6804 41.5801 179.3730 59 I 3.7002 7.9095 119.8223 64.6681 37.1642 178.3469 60 E 4.0320 8.3146 119.2145 59.2801 29.2046 179.5958 61 R 4.0032 7.9032 118.5084 59.4003 30.2413 178.3838 62 I 3.6992 8.0414 119.8635 64.5921 37.1032 178.0580 63 L 3.9781 7.9967 119.5639 58.2432 41.2850 179.6592 64 F 4.3348 7.9445 119.0636 60.9307 39.3548 176.1837 65 L 3.9419 7.7822 116.1037 53.4617 42.3698 176.5897 66 E 3.7332 8.1929 117.3055 58.0045 27.1761 172.8810 67 G 4.2574 7.9326 107.2744 43.5626 0.0000 171.6122 68 L 4.5786 8.1371 119.3775 51.9169 43.1461 174.9013 69 P 4.2539 0.0000 0.0000 62.8324 31.5644 176.2063 70 N 4.6444 9.4638 123.1876 52.3976 37.8919 174.0282 71 L 4.4909 8.1218 123.0641 54.4802 42.5537 177.9104 72 Q 4.0244 8.3682 121.1191 58.8228 29.1987 175.8547 73 D 4.4947 8.1513 117.3536 53.3986 41.2910 175.4436 74 L 4.5578 8.3176 126.2434 52.7681 43.8263 176.7743 75 G 3.8073 8.3370 116.9433 44.9028 0.0000 171.1128 76 K 4.0974 8.4184 121.4386 55.6204 32.4971 177.4988 77 L 4.0238 8.4446 127.1449 54.8145 41.9808 177.2064 78 L 4.4142 8.7586 124.9883 53.4672 40.6144 175.0783 79 I 4.3508 8.0204 123.7460 59.4154 38.6693 176.5087 80 G 4.0362 8.6375 114.4241 44.5830 0.0000 172.9071 81 E 4.6936 8.4086 115.4431 56.0720 30.4822 175.8899 82 N 5.0820 7.8461 116.6838 50.7882 41.4604 174.9754 83 T 4.5368 8.8241 118.3061 67.3520 68.6217 176.1390 84 Q 3.9584 8.1619 120.3295 59.4353 29.2782 177.7409 85 E 4.0144 8.6207 119.5373 59.8674 29.4840 179.3949 86 M 3.9652 8.8439 118.9469 58.3525 31.9061 178.8551 87 L 4.1446 8.3029 119.1902 57.9015 41.8391 179.3970 88 Q 3.9964 8.2380 119.5599 59.1708 28.9055 177.7501 89 C 4.1121 8.7080 118.1901 63.0992 28.2400 175.9245 90 D 4.5983 8.2208 120.1962 57.2941 40.4438 178.4415 91 L 3.9298 8.3042 121.1622 58.4634 41.9606 178.6408 92 N 4.3241 8.7091 116.5495 56.5110 38.5157 177.1746 93 L 4.0497 8.3302 121.7039 58.1430 42.1830 178.8704 94 E 4.1545 8.4260 118.7558 59.1299 29.4158 179.1848 95 L 4.0489 7.9995 119.3149 57.5435 41.7383 179.4519 96 K 3.9400 7.9857 119.3876 59.4883 32.2110 178.8054 97 A 4.0669 8.0613 121.0610 55.4334 18.2212 179.7105 98 T 3.9916 8.0912 114.3403 66.1808 68.7178 177.0770 99 K 3.9166 8.0272 121.7031 59.6651 32.1940 178.6190 100 D 4.3644 7.9751 118.5004 57.3073 40.6879 178.4392 101 L 3.9789 7.9168 119.4998 58.1181 41.6760 179.9766 102 R 3.9104 7.8068 117.0928 59.2504 30.0423 178.9118 103 E 3.9336 8.0528 117.5911 59.4944 29.5491 179.1043 104 A 3.5477 8.3000 121.0389 55.3506 18.3293 179.8320 105 I 3.6688 7.9288 118.2935 64.2969 37.2054 178.5695 106 V 3.5571 7.8561 119.2187 66.5076 31.3071 177.5392 107 H 4.0169 8.0993 117.6062 59.4407 29.6319 176.9532 108 C 4.0893 8.1723 118.5135 62.7792 27.8225 175.6698 109 E 3.9133 8.1572 120.9192 59.1737 28.9616 178.7288 110 Q 3.9804 7.6590 118.5386 59.0474 29.2157 177.8155 111 V 4.0105 7.2553 110.6423 60.9624 31.9519 175.7666 112 H 3.1435 7.3445 113.5485 56.8576 26.8377 175.9822 113 D 4.4805 7.7934 121.4354 53.6925 39.7702 175.4955 114 Y 4.3797 7.8917 123.6557 60.1472 38.3666 177.3555 115 V 3.6727 7.8571 119.1133 66.0136 31.8015 178.1275 116 S 4.2201 8.2295 115.2220 61.1573 62.5868 176.4345 117 R 3.8840 7.9340 121.3345 59.6500 29.9685 178.0851 118 D 4.3668 8.3872 117.8359 57.0444 41.2281 177.8710 119 L 3.9334 7.9779 120.8819 58.3360 42.1051 179.0730 120 L 3.9967 7.8530 118.6827 57.5102 41.5367 179.2303 121 K 3.8665 8.4665 120.0949 59.8846 32.0790 178.5579 122 D 4.3959 7.9727 118.6504 57.4282 40.7026 178.8491 123 I 3.6072 7.7341 120.2387 63.8282 36.9846 178.3671 124 L 3.9139 8.1639 121.8396 58.1470 42.0344 178.4282 125 E 3.9399 8.1719 119.2995 59.5795 29.5268 178.8289 126 S 4.1805 7.9975 112.5583 61.3741 62.5747 175.9204 127 E 4.2085 8.5371 121.2839 59.0403 29.0752 179.0659 128 E 4.0851 8.3441 119.1687 59.1279 29.5239 178.8691 129 E 4.0071 8.3721 118.8185 59.8956 29.5810 178.9536 130 H 4.4130 8.2718 118.0009 59.2767 29.8095 177.4594 131 I 3.7745 7.7509 121.6512 64.2010 36.9755 177.5434 132 D 4.3825 8.4625 119.3042 57.6387 40.8793 177.9436 133 Y 4.0497 8.2266 119.7465 60.6124 38.8889 177.7498 134 L 3.6802 7.9671 119.8138 57.9044 41.7769 179.2978 135 E 3.9055 8.4825 118.6887 59.7136 29.3189 179.5595 136 T 3.7752 7.7457 115.5723 66.7761 68.4552 176.3396 137 Q 3.9153 7.8870 119.9151 58.9136 28.3930 178.7128 138 L 3.8289 7.6613 119.8340 57.9844 41.8740 180.0188 139 G 3.5949 8.2886 105.4683 47.9203 0.0000 175.4775 140 L 4.0037 8.4917 122.7247 57.6641 41.4811 179.7410 141 I 3.5849 7.7021 119.8530 64.3812 36.6854 178.5513 142 Q 3.9696 7.4739 117.8771 58.8559 28.6556 178.4532 143 K 4.1822 7.7540 118.0096 58.2322 32.2626 178.1829 144 V 4.2311 8.0641 109.5934 60.3091 33.6023 176.3922 145 G 3.9259 8.1280 108.7506 45.7308 0.0000 173.9043 146 L 3.9493 8.8753 125.0781 58.6099 41.9423 179.4012 147 E 3.9875 8.1680 117.5495 59.4591 29.3498 179.0250 148 N 4.3452 8.1097 116.1261 56.2965 38.4912 176.6263 149 Y 3.9753 8.0379 120.0193 60.7345 39.2111 177.8425 150 L 4.0291 8.3290 120.1527 57.8778 41.2525 179.2584 151 Q 3.9242 8.1957 119.4399 59.1902 28.7601 177.8432 152 S 4.4189 7.9271 113.3517 59.4745 62.9586 174.1042 153 H 4.7141 7.8046 118.8156 55.6793 30.2561 175.6948 154 M 4.1787 7.8362 120.9128 57.5423 31.9886 176.3582 155 H 5.2377 7.5925 113.1390 53.8416 31.4297 174.4149 156 E 4.1469 8.5973 119.9123 56.8152 29.4107 176.8681 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 3 G 8.35 3.82 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 0.00 0.00 0.00 4 D 8.68 4.12 0.00 2.86 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 5 K 9.51 3.91 0.00 1.84 1.78 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.51 7.81 6 K 8.21 4.01 0.00 2.00 1.59 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.40 7.81 7 V 7.92 3.62 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.00 0.00 0.00 8 I 7.53 3.72 1.99 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 1.51 0.67 0.90 0.00 0.00 9 Q 8.06 3.98 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 10 H 8.15 4.10 0.00 3.35 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.19 3.98 0.00 1.81 1.75 0.95 0.66 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 12 N 8.54 4.51 0.00 2.90 2.87 0.00 0.00 6.78 7.29 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 13 K 7.94 3.90 0.00 1.92 1.99 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.18 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.47 7.81 14 I 7.95 3.67 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.64 0.92 0.00 0.00 15 L 8.48 4.01 0.00 1.70 1.83 0.91 1.06 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 16 G 8.07 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 17 N 8.26 4.32 0.00 2.87 2.89 0.00 0.00 7.10 8.30 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 18 E 8.64 3.97 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 19 L 8.25 3.98 0.00 1.79 1.67 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.63 3.64 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.82 0.85 0.00 0.00 21 A 7.66 3.26 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.67 3.57 1.95 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.71 0.86 0.00 0.00 23 N 7.64 4.40 0.00 2.89 2.83 0.00 0.00 6.75 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 24 Q 8.22 3.86 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 25 Y 8.17 4.75 0.00 3.06 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 26 F 8.45 3.99 0.00 3.32 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 27 L 8.36 4.07 0.00 1.82 1.78 0.88 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.54 3.86 0.00 3.44 2.94 0.00 5.72 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 29 S 8.55 4.34 0.00 3.97 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 30 R 7.88 3.94 0.00 1.87 1.89 0.00 2.98 0.00 0.00 2.73 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 31 M 7.55 3.49 0.00 0.93 1.57 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.20 0.00 32 W 7.90 4.47 0.00 3.63 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 33 N 8.36 4.39 0.00 2.75 2.86 0.00 0.00 6.64 7.36 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 34 D 7.73 4.37 0.00 2.62 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 7.75 4.89 0.00 3.75 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 36 G 8.34 4.12 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 0.00 0.00 0.00 37 L 8.01 4.89 0.00 2.11 1.61 1.28 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.53 4.11 0.00 2.01 1.86 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.48 7.81 39 R 7.75 3.88 0.00 1.91 1.83 0.00 2.98 0.00 0.00 2.93 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 40 L 7.70 3.87 0.00 1.23 0.25 0.22 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.19 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 0.00 0.00 0.00 0.00 42 A 8.39 4.08 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 43 H 7.98 4.01 0.00 3.16 3.37 0.00 5.79 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.66 4.04 0.00 2.58 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 2.79 2.76 0.00 45 Y 8.14 4.10 0.00 3.08 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 46 H 8.15 3.97 0.00 3.30 3.24 0.00 5.88 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.02 3.84 0.00 2.14 1.78 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 2.23 2.15 0.00 48 S 8.06 4.22 0.00 4.18 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 49 I 7.47 3.54 1.76 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.47 0.79 0.00 0.00 50 D 8.04 4.26 0.00 2.94 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 51 E 7.97 4.24 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 52 M 8.09 4.08 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.53 0.00 53 K 7.85 4.04 0.00 1.93 1.81 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.54 7.81 54 H 8.25 4.26 0.00 3.42 3.33 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.97 4.05 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 56 D 8.04 4.26 0.00 2.93 2.83 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 57 K 7.83 4.05 0.00 1.92 1.86 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.71 7.81 58 L 7.95 4.02 0.00 1.87 1.72 0.93 0.77 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 59 I 7.91 3.70 2.02 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 1.52 1.22 0.92 0.00 0.00 60 E 8.31 4.03 0.00 2.03 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 2.34 2.46 0.00 61 R 7.90 4.00 0.00 2.06 2.12 0.00 3.37 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 62 I 8.04 3.70 2.02 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 1.54 0.76 0.92 0.00 0.00 63 L 8.00 3.98 0.00 2.07 1.81 0.97 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 64 F 7.94 4.33 0.00 3.04 3.29 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 65 L 7.78 3.94 0.00 1.78 1.58 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.19 3.73 0.00 1.96 1.93 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 2.19 2.15 0.00 67 G 7.93 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.14 4.58 0.00 1.59 1.58 0.91 0.97 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 69 P 0.00 4.25 0.00 2.03 2.01 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 70 N 9.46 4.64 0.00 2.59 2.88 0.00 0.00 7.20 7.74 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 71 L 8.12 4.49 0.00 1.63 1.65 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.37 4.02 0.00 1.99 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.84 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 73 D 8.15 4.49 0.00 2.69 2.58 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 74 L 8.32 4.56 0.00 1.51 1.51 0.88 1.06 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 75 G 8.34 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.42 4.10 0.00 1.71 1.74 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.52 7.81 77 L 8.44 4.02 0.00 1.64 1.57 0.88 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.76 4.41 0.00 1.79 1.68 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.02 4.35 1.88 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 1.33 0.79 0.90 0.00 0.00 80 G 8.64 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 81 E 8.41 4.69 0.00 2.14 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 0.00 2.48 2.24 0.00 82 N 7.85 5.08 0.00 2.93 2.85 0.00 0.00 6.18 7.22 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 83 T 8.82 4.54 4.48 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 0.00 0.00 1.59 0.00 0.00 84 Q 8.16 3.96 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 85 E 8.62 4.01 0.00 2.41 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 2.36 2.39 0.00 86 M 8.84 3.97 0.00 1.39 2.23 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.05 0.00 87 L 8.30 4.14 0.00 1.91 1.72 0.84 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 8.24 4.00 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 89 C 8.71 4.11 0.00 3.27 3.25 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 90 D 8.22 4.60 0.00 2.97 2.72 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 0.00 0.00 0.00 0.00 91 L 8.30 3.93 0.00 1.80 1.86 0.93 0.53 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 92 N 8.71 4.32 0.00 2.93 2.90 0.00 0.00 6.74 6.64 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 93 L 8.33 4.05 0.00 1.90 1.98 0.93 1.20 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 94 E 8.43 4.15 0.00 2.24 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 2.64 2.50 0.00 95 L 8.00 4.05 0.00 1.89 1.74 0.94 0.59 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 96 K 7.99 3.94 0.00 1.84 2.08 0.00 1.54 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 97 A 8.06 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 98 T 8.09 3.99 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 1.27 0.00 0.00 99 K 8.03 3.92 0.00 1.90 2.00 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.55 7.81 100 D 7.98 4.36 0.00 3.00 2.72 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 0.00 0.00 0.00 0.00 101 L 7.92 3.98 0.00 2.03 1.75 0.92 0.86 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 0.00 102 R 7.81 3.91 0.00 2.04 1.99 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.80 0.00 103 E 8.05 3.93 0.00 2.24 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 2.35 2.45 0.00 104 A 8.30 3.55 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 0.00 105 I 7.93 3.67 2.00 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 1.42 0.52 0.93 0.00 0.00 106 V 7.86 3.56 2.27 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 1.00 0.00 0.00 0.99 0.00 0.00 107 H 8.10 4.02 0.00 3.28 3.31 0.00 5.84 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.17 4.09 0.00 3.15 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 0.00 109 E 8.16 3.91 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 110 Q 7.66 3.98 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.21 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 111 V 7.26 4.01 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 0.76 0.00 0.00 0.86 0.00 0.00 112 H 7.34 3.14 0.00 3.07 3.17 0.00 5.66 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.79 4.48 0.00 2.60 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 0.00 114 Y 7.89 4.38 0.00 3.09 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 0.00 115 V 7.86 3.67 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 1.09 0.00 0.00 1.00 0.00 0.00 116 S 8.23 4.22 0.00 3.93 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 0.00 117 R 7.93 3.88 0.00 1.97 2.22 0.00 3.24 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 118 D 8.39 4.37 0.00 3.05 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 0.00 119 L 7.98 3.93 0.00 1.98 1.77 0.94 0.61 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 0.00 120 L 7.85 4.00 0.00 1.92 1.70 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.47 3.87 0.00 2.14 1.95 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.37 7.81 122 D 7.97 4.40 0.00 2.96 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 0.00 123 I 7.73 3.61 1.96 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 1.15 0.69 0.79 0.00 0.00 124 L 8.16 3.91 0.00 1.81 1.84 0.94 0.74 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 0.00 125 E 8.17 3.94 0.00 2.11 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 0.00 2.34 2.35 0.00 126 S 8.00 4.18 0.00 4.00 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 0.00 127 E 8.54 4.21 0.00 2.08 2.37 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 2.66 2.53 0.00 128 E 8.34 4.09 0.00 2.20 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 2.36 2.53 0.00 129 E 8.37 4.01 0.00 2.29 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 2.37 2.36 0.00 130 H 8.27 4.41 0.00 3.29 3.51 0.00 5.60 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 7.75 3.77 2.07 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 1.44 0.61 0.93 0.00 0.00 132 D 8.46 4.38 0.00 2.89 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 0.00 133 Y 8.23 4.05 0.00 3.20 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 0.00 134 L 7.97 3.68 0.00 2.05 1.65 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.48 3.91 0.00 1.93 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 2.34 2.47 0.00 136 T 7.75 3.78 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 1.17 0.00 0.00 137 Q 7.89 3.92 0.00 1.79 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.69 0.00 0.00 0.00 0.00 0.00 1.27 2.08 0.00 138 L 7.66 3.83 0.00 1.90 1.64 0.83 0.81 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 0.00 139 G 8.29 3.59 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 0.00 0.00 0.00 140 L 8.49 4.00 0.00 1.73 1.83 1.04 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.70 3.58 1.79 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 -0.27 0.81 0.00 0.00 142 Q 7.47 3.97 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.02 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 143 K 7.75 4.18 0.00 1.76 1.86 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.69 7.81 144 V 8.06 4.23 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 0.72 0.00 0.00 1.05 0.00 0.00 145 G 8.13 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 0.00 146 L 8.88 3.95 0.00 1.76 1.72 0.96 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 147 E 8.17 3.99 0.00 2.06 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 2.40 0.00 148 N 8.11 4.35 0.00 3.05 2.88 0.00 0.00 6.77 7.48 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 0.00 149 Y 8.04 3.98 0.00 2.96 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 0.00 150 L 8.33 4.03 0.00 1.88 1.72 0.95 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.20 3.92 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.92 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 152 S 7.93 4.42 0.00 3.80 3.67 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 0.00 0.00 0.00 0.00 153 H 7.80 4.71 0.00 2.97 2.99 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 M 7.84 4.18 0.00 1.93 1.79 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.43 0.00 155 H 7.59 5.24 0.00 3.08 3.14 0.00 5.71 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 E 8.60 4.15 0.00 1.94 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 0.00 2.29 2.29 0.00