NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3155 8.2649 123.5856 51.6550 19.6222 177.1005 2 P 3.8628 0.0000 0.0000 62.7556 31.9363 170.5302 3 V 4.4113 8.2716 118.0346 59.8358 34.4244 175.0154 4 R 4.5799 8.4892 123.3638 55.7049 31.7044 175.5638 5 S 6.0185 8.8550 117.3750 56.4474 67.7447 173.0273 6 L 4.8209 8.3210 119.5712 54.7896 43.8137 174.5084 7 N 5.3626 8.9231 119.2132 53.2721 40.5242 173.6729 8 C 5.2121 8.9022 116.1429 57.9222 33.7088 172.4604 9 T 5.1194 8.7129 109.2455 59.9345 71.7829 172.8235 10 L 5.4572 8.5630 120.9537 53.2622 45.7854 176.3164 11 R 5.0133 8.7240 119.4173 54.5193 34.6807 175.0231 12 D 4.6708 8.8234 123.7241 52.6983 40.8085 177.2866 13 S 4.2284 8.1720 112.2423 60.1847 62.1053 174.8439 14 Q 4.4105 8.5989 120.6523 55.5533 28.5667 175.9609 15 Q 3.5180 7.9738 115.1418 56.8612 27.0214 173.4828 16 K 4.4164 7.5516 114.1594 55.9217 33.7684 176.7008 17 S 5.0333 9.0300 120.1447 57.4773 65.6154 172.8314 18 L 5.2048 8.3196 120.9225 53.4721 44.0125 176.1670 19 V 4.7676 8.7646 115.6203 59.5692 36.7392 174.4887 20 M 4.1479 8.4433 122.1996 56.2733 31.8488 175.3269 21 S 4.1272 9.5896 121.8488 58.4752 63.1372 177.6254 22 G 4.1991 7.9329 116.1438 44.5853 0.0000 172.1083 23 P 4.2299 0.0000 0.0000 64.4837 31.9143 176.2916 24 Y 4.9514 7.5381 116.1091 57.0779 39.3313 174.3371 25 E 4.8759 8.0520 118.5330 54.8686 33.7091 173.3616 26 L 5.2967 8.6446 124.0278 52.9966 45.3063 175.4750 27 K 5.2139 9.3267 120.5668 54.5869 36.6946 174.8515 28 A 5.4253 8.6297 123.7947 50.2592 21.8303 175.3833 29 L 4.6299 8.7606 121.0032 54.5788 44.5552 174.6369 30 H 4.6703 10.0561 119.1115 55.9418 28.6880 174.8223 31 L 4.8092 8.2797 124.9477 53.4184 44.7607 175.0318 32 Q 4.5769 8.5660 122.0280 56.2160 32.9634 175.9096 33 G 3.8648 8.3870 111.7523 46.7131 0.0000 176.0461 34 Q 3.9661 8.8694 121.0671 59.4447 28.3016 178.0704 35 D 4.4442 8.1467 120.1013 56.4711 40.6614 177.8850 36 M 4.2090 7.8512 119.0278 58.6806 31.8477 177.2131 37 E 4.2530 7.8265 115.7167 57.5742 29.8526 178.1961 38 Q 4.1143 8.3953 118.8757 57.0021 29.2856 176.5220 39 Q 4.2795 7.0183 118.1017 56.0762 29.1096 176.3888 40 V 3.5881 8.2549 121.2772 62.8163 32.4547 175.1996 41 V 4.2910 7.9581 126.8175 61.3024 33.4828 174.5107 42 F 4.9761 9.3159 126.8399 56.2783 41.9179 175.1341 43 S 4.9049 9.2176 116.8528 56.8622 64.0847 172.2505 44 M 4.6898 8.9718 128.7446 54.9064 33.3026 174.8342 45 S 5.2622 8.8497 122.6435 57.0025 65.8315 173.6874 46 F 4.7385 9.0187 123.6562 56.6185 38.8053 176.0089 47 V 4.3787 7.7785 117.1570 59.8100 33.6768 175.8788 48 Q 4.2977 8.8648 120.9785 55.0958 29.3598 176.7657 49 G 4.0051 8.3845 111.1868 44.6284 0.0000 171.3896 50 E 3.8813 8.3591 120.4612 56.4957 29.5208 175.4631 51 E 4.8804 8.5426 126.5933 54.6479 32.5052 174.1239 52 S 4.7104 8.6044 116.8358 56.4960 65.8662 174.5570 53 N 4.6256 8.7359 119.8756 54.7800 37.5308 175.0788 54 D 4.8947 8.0634 116.2324 52.4730 41.7789 174.8501 55 K 4.6644 8.0119 119.9384 55.1187 35.0104 174.4972 56 I 4.9449 8.7168 129.5733 58.5860 40.3091 173.5016 57 P 5.0581 0.0000 0.0000 62.9585 32.6356 175.7860 58 V 4.9369 9.5208 116.0994 59.6870 36.8265 173.8070 59 A 5.3845 8.8545 123.0738 50.2759 22.3974 175.5216 60 L 4.7210 8.8849 120.6170 53.1661 44.2852 175.9132 61 G 3.7740 8.5930 110.8255 43.8131 0.0000 171.0730 62 L 4.5133 7.9783 120.5416 52.9387 43.1575 176.8864 63 K 3.8716 8.3976 125.1280 58.2247 32.3733 176.1453 64 E 3.8413 9.0167 123.2136 56.7249 27.1505 173.9636 65 K 4.5583 7.7979 117.8261 54.5135 36.0866 176.8908 66 N 4.8530 8.4778 122.2105 52.4258 35.8663 174.4271 67 L 5.3967 7.2620 118.9297 53.9122 46.4706 177.0227 68 Y 5.1682 9.0850 120.1903 55.9110 42.3602 174.8429 69 L 4.8332 8.9296 122.9911 55.1171 42.5312 176.5785 70 S 4.9203 9.6872 117.2369 56.8988 66.5759 172.1643 71 C 5.3654 8.6766 123.0004 58.2783 29.8803 173.7780 72 V 4.6896 8.7921 116.3902 59.4225 36.4263 174.5346 73 L 4.5039 8.4661 122.2754 53.9738 42.1125 176.6937 74 K 4.2031 8.4166 124.9168 55.2998 33.8775 175.2171 75 D 4.7986 8.9610 127.5373 55.7942 38.8028 173.1041 76 D 4.4290 8.3626 111.7033 54.5655 38.7890 173.7813 77 K 4.3295 7.3221 118.6738 53.8769 36.0222 173.4544 78 P 3.6001 0.0000 0.0000 63.2593 31.5329 175.7818 79 T 4.7167 8.7791 120.2423 61.6994 73.0087 172.6666 80 L 5.1540 8.6616 127.1025 54.3948 43.6535 175.3121 81 Q 4.7513 9.1223 122.1651 55.2878 32.6259 172.8060 82 L 5.1490 8.5609 120.1412 53.5442 43.1595 175.6776 83 E 4.7796 9.5941 125.1317 54.4054 32.6299 175.0039 84 S 5.0805 8.7180 122.1846 58.4579 63.9855 173.7100 85 V 4.4987 8.1508 115.4870 58.9778 36.0525 175.0091 86 D 4.4132 8.6909 121.7589 53.8913 41.1579 175.3117 87 P 4.5169 0.0000 0.0000 64.5697 31.4453 176.7431 88 K 4.3003 8.7223 119.7041 57.1419 32.7082 176.3795 89 N 4.7276 8.1051 113.5324 53.2420 39.2842 174.1809 90 Y 4.5679 7.6948 115.2614 55.1451 41.3719 173.3912 91 P 4.7349 0.0000 0.0000 62.0481 32.7969 175.0956 92 K 4.6267 7.7768 116.2026 54.7686 35.6669 176.5058 93 K 3.9834 8.7175 119.4429 58.8494 32.0872 176.3960 94 K 4.5244 7.6186 120.5506 54.8970 31.2423 174.9362 95 M 4.4452 8.0239 123.8365 53.7178 33.4712 176.5562 96 E 4.1707 8.8277 120.7670 56.1841 30.6050 178.0830 97 K 3.7868 8.7746 123.1651 59.5573 32.4482 179.1136 98 R 3.6902 7.7032 114.5651 58.5038 29.3597 177.8705 99 F 4.7081 7.6864 115.6814 58.2640 39.6998 175.5854 100 V 4.3618 7.4357 122.4373 61.9682 32.8416 174.7638 101 F 5.3030 9.3882 126.0713 55.7408 43.1261 173.9158 102 N 5.1267 9.5635 120.9166 52.0416 39.9232 174.3522 103 K 4.2259 9.6338 128.1131 55.9314 33.5871 175.4336 104 I 4.8501 8.5166 129.3369 59.6223 39.7521 174.6870 105 E 4.9178 8.6650 127.4527 54.1725 29.7616 176.1181 106 I 4.4100 7.9509 121.6249 60.8094 37.1184 176.7493 107 N 3.3241 8.3509 110.2924 55.8099 39.1938 174.0727 108 N 4.9318 6.2968 112.2805 52.7083 40.5535 175.0255 109 K 4.6750 7.7413 119.2359 55.5595 35.0663 174.8549 110 L 5.1777 9.0467 120.2381 53.2056 45.4899 176.0047 111 E 5.2002 8.6348 119.7338 54.6916 34.3197 175.0558 112 F 5.1730 9.0070 120.6122 55.9568 41.9318 173.3911 113 E 4.6980 8.9370 125.8890 54.3247 31.4151 175.1997 114 S 4.2127 9.0397 122.3547 58.4461 62.3866 174.0541 115 A 4.0198 8.3742 129.4654 55.0522 18.3150 178.8515 116 Q 3.5203 7.8873 115.6529 58.3587 29.4281 176.0133 117 F 4.7503 7.8219 120.0191 54.2897 39.2095 172.3263 118 P 4.4744 0.0000 0.0000 64.3580 31.6028 176.4044 119 N 4.2772 9.6440 118.6132 53.5957 36.7963 173.5623 120 W 4.7460 7.8284 118.4444 55.1576 31.5794 174.7307 121 Y 5.4158 9.1810 121.9474 55.8469 41.6175 175.0965 122 I 4.3614 8.7675 123.3719 61.8852 37.5380 175.8333 123 S 5.1059 9.5777 123.9124 56.7734 67.3828 173.0473 124 T 5.0921 8.3971 110.6992 60.0857 72.2085 173.0942 125 S 4.9871 8.7393 116.8296 57.3890 63.5043 174.1616 126 Q 4.0864 8.7904 122.4840 58.6942 28.8045 177.4497 127 A 4.1896 7.5567 119.0953 51.7901 17.7095 176.6475 128 E 4.1536 8.5640 120.5909 56.8448 30.4522 176.0577 129 N 4.2764 8.2125 120.6781 54.9759 38.2842 173.7229 130 M 4.7141 7.1463 112.5574 52.4763 34.7229 174.2835 131 P 4.9610 0.0000 0.0000 62.8194 32.3714 176.3400 132 V 4.2909 8.8036 123.6883 62.9038 32.4959 175.0045 133 F 5.0982 9.0921 121.4921 55.7157 42.2829 172.3738 134 L 5.1426 9.0008 120.9901 53.8402 42.8810 175.5269 135 G 4.2594 9.3590 114.8114 44.3482 0.0000 173.4518 136 G 2.4892 7.8023 111.7351 44.3547 0.0000 173.3658 137 T 4.4929 7.2555 108.6987 59.4056 71.4956 173.4168 138 K 4.2753 8.4927 123.4361 55.0194 34.9803 176.0829 139 G 4.0298 8.4081 107.4896 45.9540 0.0000 172.7710 140 G 3.7845 7.1198 112.7636 45.3014 0.0000 172.6132 141 Q 4.0994 8.8634 119.7133 58.8252 29.0954 176.6639 142 D 4.7421 7.8112 115.7893 53.7475 42.1678 175.5368 143 I 4.3043 8.2356 123.3695 60.8075 38.4415 176.3019 144 T 4.8898 8.4295 114.2212 60.9394 70.3115 172.9723 145 D 5.4083 7.6312 121.5802 52.2273 43.1795 174.2149 146 Y 5.4264 9.2320 117.1348 57.0164 43.4565 173.7770 147 T 5.0175 8.9411 109.7242 60.2535 72.2288 172.6765 148 M 5.1441 8.6217 121.6015 53.8978 35.2361 174.4726 149 Q 4.7967 8.6743 123.8396 54.1400 31.8805 174.9680 150 F 4.9203 9.1232 122.3000 57.0928 40.5963 175.4227 151 V 4.7207 8.3665 114.4829 59.2478 34.6709 177.1441 152 S 4.0338 9.0739 118.9057 59.6482 62.9255 174.4784 153 S 4.1849 7.7992 119.7433 58.7606 63.6221 169.7069 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 A 8.26 4.32 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.86 0.00 2.15 2.05 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 3 V 8.27 4.41 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 0.84 0.00 0.00 1.00 0.00 0.00 4 R 8.49 4.58 0.00 1.89 1.95 0.00 3.06 0.00 0.00 3.33 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 5 S 8.85 6.02 0.00 3.78 3.86 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 6 L 8.32 4.82 0.00 1.95 1.93 1.02 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.92 5.36 0.00 2.73 2.79 0.00 0.00 6.65 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 8 C 8.90 5.21 0.00 2.89 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 9 T 8.71 5.12 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 1.26 0.00 0.00 10 L 8.56 5.46 0.00 1.51 1.55 -0.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.72 5.01 0.00 1.79 1.82 0.00 3.33 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 12 D 8.82 4.67 0.00 2.42 2.62 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 13 S 8.17 4.23 0.00 3.95 4.02 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 14 Q 8.60 4.41 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.17 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 15 Q 7.97 3.52 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.39 6.78 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 16 K 7.55 4.42 0.00 1.96 1.72 0.00 1.54 0.00 0.00 1.53 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.81 1.23 7.81 17 S 9.03 5.03 0.00 3.75 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 18 L 8.32 5.20 0.00 1.65 1.62 1.03 0.91 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 19 V 8.76 4.77 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 0.69 0.00 0.00 0.98 0.00 0.00 20 M 8.44 4.15 0.00 1.83 1.94 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 2.49 2.36 0.00 21 S 9.59 4.13 0.00 3.79 3.80 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 22 G 7.93 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.23 0.00 1.37 1.92 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.90 0.00 24 Y 7.54 4.95 0.00 3.01 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 25 E 8.05 4.88 0.00 2.07 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 26 L 8.64 5.30 0.00 1.67 1.56 1.07 0.82 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 27 K 9.33 5.21 0.00 1.63 1.68 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.38 7.81 28 A 8.63 5.43 1.27 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 0.00 0.00 0.00 29 L 8.76 4.63 0.00 1.92 1.74 0.93 1.10 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 30 H 10.06 4.67 0.00 3.17 3.34 0.00 5.79 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.28 4.81 0.00 1.55 1.52 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.57 4.58 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.75 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 33 G 8.39 3.86 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 0.00 0.00 0.00 34 Q 8.87 3.97 0.00 2.25 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 35 D 8.15 4.44 0.00 2.71 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 36 M 7.85 4.21 0.00 2.17 2.19 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 2.61 2.66 0.00 37 E 7.83 4.25 0.00 1.99 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 2.33 2.38 0.00 38 Q 8.40 4.11 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 39 Q 7.02 4.28 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.41 2.26 0.00 40 V 8.25 3.59 1.57 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 -0.09 0.00 0.00 0.78 0.00 0.00 41 V 7.96 4.29 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 0.99 0.00 0.00 0.86 0.00 0.00 42 F 9.32 4.98 0.00 2.96 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 43 S 9.22 4.90 0.00 3.81 3.71 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 44 M 8.97 4.69 0.00 2.05 1.80 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.90 0.00 45 S 8.85 5.26 0.00 3.85 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 46 F 9.02 4.74 0.00 2.99 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 47 V 7.78 4.38 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.03 0.00 0.00 48 Q 8.86 4.30 0.00 1.94 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.11 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 49 G 8.38 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 50 E 8.36 3.88 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.25 0.00 51 E 8.54 4.88 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 52 S 8.60 4.71 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 53 N 8.74 4.63 0.00 2.86 2.95 0.00 0.00 5.79 8.06 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 54 D 8.06 4.89 0.00 2.70 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 55 K 8.01 4.66 0.00 1.90 1.71 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.42 7.81 56 I 8.72 4.94 2.02 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.30 1.18 0.00 0.00 57 P 0.00 5.06 0.00 2.16 2.22 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.05 0.00 58 V 9.52 4.94 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 0.46 0.00 0.00 1.09 0.00 0.00 59 A 8.85 5.38 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 60 L 8.88 4.72 0.00 1.32 1.19 -0.36 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.59 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 62 L 7.98 4.51 0.00 1.47 1.39 0.89 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.40 3.87 0.00 1.72 1.66 0.00 1.92 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.56 7.81 64 E 9.02 3.84 0.00 2.12 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 2.19 2.29 0.00 65 K 7.80 4.56 0.00 1.58 1.58 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.24 7.81 66 N 8.48 4.85 0.00 2.99 3.04 0.00 0.00 6.02 6.67 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 67 L 7.26 5.40 0.00 1.47 1.55 0.82 0.96 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 68 Y 9.09 5.17 0.00 2.81 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 69 L 8.93 4.83 0.00 1.65 1.75 0.54 0.71 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 70 S 9.69 4.92 0.00 3.82 3.64 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 0.00 0.00 0.00 0.00 71 C 8.68 5.37 0.00 2.78 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 72 V 8.79 4.69 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 0.65 0.00 0.00 0.94 0.00 0.00 73 L 8.47 4.50 0.00 1.51 1.52 0.94 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.42 4.20 0.00 1.69 1.58 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.30 7.81 75 D 8.96 4.80 0.00 2.80 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 76 D 8.36 4.43 0.00 2.83 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.32 4.33 0.00 1.57 1.47 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.15 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.14 1.28 7.81 78 P 0.00 3.60 0.00 0.49 0.49 0.00 2.43 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 79 T 8.78 4.72 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 1.23 0.00 0.00 80 L 8.66 5.15 0.00 1.79 1.69 1.16 0.79 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 81 Q 9.12 4.75 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 82 L 8.56 5.15 0.00 1.94 1.89 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 83 E 9.59 4.78 0.00 2.05 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 2.29 2.25 0.00 84 S 8.72 5.08 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 85 V 8.15 4.50 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 0.09 0.00 0.00 0.69 0.00 0.00 86 D 8.69 4.41 0.00 2.78 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 87 P 0.00 4.52 0.00 2.26 2.21 0.00 3.86 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 88 K 8.72 4.30 0.00 1.71 2.04 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.45 7.81 89 N 8.11 4.73 0.00 2.76 2.62 0.00 0.00 6.76 8.36 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 90 Y 7.69 4.57 0.00 2.89 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 91 P 0.00 4.73 0.00 2.25 2.30 0.00 3.81 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 92 K 7.78 4.63 0.00 1.66 1.50 0.00 1.32 0.00 0.00 1.28 0.00 0.00 2.21 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.78 1.36 7.81 93 K 8.72 3.98 0.00 1.83 1.91 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.60 1.43 7.81 94 K 7.62 4.52 0.00 1.65 1.69 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.48 7.81 95 M 8.02 4.45 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.66 0.00 96 E 8.83 4.17 0.00 2.30 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 97 K 8.77 3.79 0.00 1.73 1.66 0.00 1.52 0.00 0.00 1.78 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.31 7.81 98 R 7.70 3.69 0.00 1.89 1.89 0.00 2.62 0.00 0.00 3.04 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.51 0.00 99 F 7.69 4.71 0.00 3.22 3.05 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 0.00 100 V 7.44 4.36 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 0.94 0.00 0.00 0.99 0.00 0.00 101 F 9.39 5.30 0.00 3.11 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 0.00 102 N 9.56 5.13 0.00 2.69 2.80 0.00 0.00 6.61 6.75 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 0.00 103 K 9.63 4.23 0.00 1.86 1.83 0.00 1.63 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 0.91 7.81 104 I 8.52 4.85 1.87 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.10 0.98 0.00 0.00 105 E 8.67 4.92 0.00 1.89 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 2.28 2.24 0.00 106 I 7.95 4.41 1.84 0.00 0.00 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 1.14 0.57 0.88 0.00 0.00 107 N 8.35 3.32 0.00 2.69 2.61 0.00 0.00 6.58 7.79 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 0.00 108 N 6.30 4.93 0.00 2.80 2.82 0.00 0.00 7.07 6.88 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 0.00 109 K 7.74 4.68 0.00 1.67 1.88 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.36 7.81 110 L 9.05 5.18 0.00 1.46 1.04 0.96 0.89 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 0.00 111 E 8.63 5.20 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.19 0.00 112 F 9.01 5.17 0.00 2.84 2.85 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 0.00 113 E 8.94 4.70 0.00 1.74 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 2.07 1.63 0.00 114 S 9.04 4.21 0.00 3.99 4.07 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 0.00 115 A 8.37 4.02 1.21 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 0.00 0.00 116 Q 7.89 3.52 0.00 1.52 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.97 0.00 0.00 0.00 0.00 0.00 1.26 1.16 0.00 117 F 7.82 4.75 0.00 3.00 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 0.00 118 P 0.00 4.47 0.00 2.12 2.06 0.00 3.89 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 2.06 2.13 0.00 119 N 9.64 4.28 0.00 2.90 3.01 0.00 0.00 6.89 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 W 7.83 4.75 0.00 3.58 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 0.00 121 Y 9.18 5.42 0.00 2.84 2.93 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 0.00 122 I 8.77 4.36 1.87 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.61 0.73 0.00 0.00 123 S 9.58 5.11 0.00 2.72 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 0.00 124 T 8.40 5.09 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 1.35 0.00 0.00 125 S 8.74 4.99 0.00 4.04 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 0.00 126 Q 8.79 4.09 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.53 2.31 0.00 127 A 7.56 4.19 1.27 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 0.00 0.00 0.00 128 E 8.56 4.15 0.00 2.10 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 2.41 2.38 0.00 129 N 8.21 4.28 0.00 2.83 2.86 0.00 0.00 7.08 8.82 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 0.00 130 M 7.15 4.71 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.83 0.00 131 P 0.00 4.96 0.00 2.02 2.20 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 132 V 8.80 4.29 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 0.81 0.00 0.00 1.02 0.00 0.00 133 F 9.09 5.10 0.00 3.19 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 0.00 134 L 9.00 5.14 0.00 1.86 1.90 1.22 1.04 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 0.00 135 G 9.36 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 0.00 136 G 7.80 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 0.00 0.00 0.00 137 T 7.26 4.49 4.17 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 1.08 0.00 0.00 138 K 8.49 4.28 0.00 1.60 1.58 0.00 0.68 0.00 0.00 1.21 0.00 0.00 2.67 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.88 0.66 7.81 139 G 8.41 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.12 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 0.00 141 Q 8.86 4.10 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 142 D 7.81 4.74 0.00 2.74 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 8.24 4.30 1.75 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 1.21 0.74 0.65 0.00 0.00 144 T 8.43 4.89 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 1.10 0.00 0.00 145 D 7.63 5.41 0.00 2.70 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 0.00 146 Y 9.23 5.43 0.00 2.99 3.06 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 0.00 147 T 8.94 5.02 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 1.24 0.00 0.00 148 M 8.62 5.14 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.87 0.00 149 Q 8.67 4.80 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 150 F 9.12 4.92 0.00 2.93 3.06 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 0.00 151 V 8.37 4.72 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 0.89 0.00 0.00 1.02 0.00 0.00 152 S 9.07 4.03 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 0.00 153 S 7.80 4.18 0.00 4.10 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