NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 R 4.3142 8.2549 119.7034 55.8093 31.5386 176.7005 8 K 4.2202 8.5645 124.4698 56.4021 29.4213 174.3658 9 T 4.7011 7.2059 116.4495 61.0830 73.1330 174.3940 10 S 4.1429 8.8635 120.2772 61.3492 63.0330 174.7600 11 S 4.2817 8.4568 116.4538 58.0450 62.5215 173.1107 12 L 3.5024 7.5665 126.0688 51.9386 40.8633 177.8986 13 S 4.2116 8.7690 119.3634 60.6484 62.7637 176.7722 14 I 3.4970 7.2995 123.1130 64.2039 36.6900 178.0479 15 L 3.9924 7.7464 118.2947 57.2182 41.4223 179.1922 16 A 4.0962 7.6185 119.9816 55.0469 18.5839 178.8927 17 I 3.7349 8.4995 117.5816 63.5288 37.6810 176.7684 18 A 4.4829 7.3466 121.6600 51.1888 19.6889 176.8138 19 G 3.7622 8.3262 106.4702 45.9666 0.0000 174.1979 20 V 4.0783 7.3872 119.2909 61.3774 32.6176 174.9251 21 E 4.7389 8.3166 124.5903 53.4324 31.9206 174.1546 22 P 4.6006 0.0000 0.0000 62.2499 31.8587 175.7377 23 Y 4.0197 9.7959 125.4002 57.9803 38.9861 176.6401 24 Q 4.0009 7.3641 126.0922 53.9201 27.6092 173.3929 25 E 4.1191 7.8298 123.0628 56.9830 29.9976 177.9899 26 K 4.2398 10.7800 123.3946 54.6895 32.5288 174.9351 27 P 3.9671 0.0000 0.0000 65.8302 31.7417 176.8551 28 G 4.1457 7.7150 107.3606 45.3502 0.0000 173.2001 29 E 4.1308 7.6097 117.0129 55.3743 30.1879 176.4974 30 E 4.3282 8.5686 122.5472 55.7915 32.1590 178.1682 31 Y 4.5207 9.1189 122.7904 59.8942 37.9929 179.0753 32 M 4.0133 8.8646 114.2022 54.4669 30.8970 175.0971 33 N 4.7501 7.5163 120.3021 51.5582 40.6988 175.5839 34 E 3.8972 8.8087 118.4309 60.0650 29.0057 179.2725 35 A 3.9870 9.1771 122.7882 54.5348 18.3964 179.7534 36 Q 3.2513 7.9896 116.3709 58.7944 28.9337 178.5724 37 L 4.3014 8.2289 120.5061 58.4464 40.6623 179.0755 38 A 3.9279 7.9410 122.1827 54.9826 18.3121 179.1172 39 H 3.9060 7.6037 116.9581 59.5752 29.9423 177.6680 40 F 4.2678 7.9453 119.2985 60.0587 38.6723 177.8632 41 R 3.7744 8.1932 119.1172 59.1278 29.7731 178.4683 42 R 3.9556 7.7985 118.1978 59.4809 30.0341 178.5113 43 I 3.6853 7.5311 119.2941 64.4683 37.0617 178.4444 44 L 4.2475 8.1536 119.7651 57.9183 41.3614 179.5033 45 E 3.9489 8.4330 118.3310 59.3653 29.4128 179.2800 46 A 4.0159 8.2993 121.0138 54.8386 18.4542 179.5031 47 W 4.2855 8.5731 127.1206 60.6347 30.7978 178.1742 48 R 3.7342 8.4255 119.0136 59.6296 29.6314 178.2518 49 N 4.3410 8.4987 116.5202 56.2131 38.4679 177.3033 50 Q 3.9896 8.2258 121.1073 59.1913 29.2290 178.0878 51 L 4.0314 8.0908 120.0323 57.9728 41.6288 179.7695 52 R 3.9285 8.1854 117.9939 59.3988 29.9973 178.9032 53 D 4.4143 8.0616 118.2205 57.2436 40.7413 178.6933 54 E 4.0114 8.1159 119.3607 59.3068 29.3810 179.4794 55 V 3.5969 7.9859 118.4166 65.9120 31.4766 177.9282 56 D 4.3317 8.1097 118.7393 57.4921 40.6429 178.9242 57 R 3.9303 8.0934 118.5299 59.3982 29.9826 179.2898 58 T 3.8408 8.0566 115.5546 66.7421 68.5533 176.7550 59 V 3.6221 8.0584 120.3798 66.4205 31.4822 178.1739 60 T 3.9145 8.1847 115.5764 66.8334 68.2047 176.1844 61 H 4.2742 8.4507 120.3319 59.6378 29.9340 177.1596 62 M 4.2191 8.5491 120.9357 58.7330 31.6330 178.7952 63 Q 4.1711 8.2883 118.0518 58.7914 28.8833 178.3082 64 D 4.4063 8.1302 120.2685 57.2687 40.6130 178.5793 65 E 4.0850 8.4098 118.4977 59.3262 29.5608 178.9909 66 A 4.0893 8.0195 119.6208 54.4782 18.4241 178.9769 67 A 4.3533 7.4566 118.7953 53.2626 19.3050 177.5108 68 N 4.3012 8.0580 115.8011 52.2960 39.0158 174.9164 69 F 4.8039 8.2073 123.4080 56.0203 39.4924 174.1291 70 P 4.6134 0.0000 0.0000 62.0506 32.3414 175.6547 71 D 4.6155 8.4482 118.6079 53.3053 41.7508 176.0187 72 P 4.1481 0.0000 0.0000 65.9780 31.7016 178.8475 73 V 3.6704 7.8677 116.5845 65.6627 31.8794 176.6283 74 D 4.8347 8.3275 118.2679 54.3518 40.8251 178.3900 75 R 3.9123 7.6438 121.5878 59.4157 30.1279 178.4914 76 A 4.1852 7.9854 119.9569 54.7966 18.4864 179.2399 77 A 4.0470 7.9114 119.1511 55.0110 18.5606 179.5142 78 Q 3.9437 8.0738 118.0787 59.3756 29.2080 178.1079 79 E 3.9822 8.1622 119.6744 59.2719 29.3373 178.9563 80 E 3.9497 8.0865 118.8633 59.4565 29.7970 178.6199 81 E 4.0299 8.2392 119.1101 58.9231 29.6279 178.4985 82 F 4.1074 8.5120 121.6207 61.0750 39.4067 177.3119 83 S 4.1511 8.3940 114.0841 61.3361 62.7374 176.4798 84 L 3.9427 7.7358 122.4992 57.4925 41.3372 179.1681 85 E 3.8579 8.0045 118.4158 59.3081 29.4409 179.0455 86 L 3.7485 7.5669 120.0188 58.2351 41.8809 179.1337 87 R 3.8644 7.9454 116.6314 59.2578 30.3893 178.1562 88 N 4.3813 8.3729 116.9998 56.7826 39.0820 176.3925 89 R 3.8585 8.5051 120.3612 59.9870 29.5546 178.1630 90 D 4.4042 8.1792 117.9788 57.1032 40.6978 179.1040 91 R 3.9549 7.9601 119.0092 59.2364 30.0737 178.7555 92 E 3.9652 8.1125 117.9084 59.4764 29.5255 179.4658 93 R 3.9604 7.8963 117.7725 59.0587 30.0555 179.3197 94 K 3.9458 7.6278 117.5613 59.1591 31.9686 179.1213 95 L 3.7991 7.8522 120.6251 58.2295 41.9310 179.0761 96 I 3.4463 7.9623 120.0805 64.3402 36.9853 178.6424 97 K 4.2059 7.8752 120.4786 58.4900 31.7139 179.4640 98 K 3.8880 7.8673 120.2261 59.4188 32.1413 178.9644 99 I 3.5353 7.7208 120.3722 64.4016 36.5268 178.1589 100 E 3.9424 8.2354 119.5253 59.3418 29.1386 179.4230 101 K 3.9544 7.9285 119.5812 59.8682 32.3974 179.1000 102 T 3.9818 8.1080 116.2180 66.4743 68.3686 176.7865 103 L 3.9756 8.3408 121.2225 57.2365 41.5458 179.3450 104 K 4.1132 7.7179 118.6360 58.5816 32.0049 179.1523 105 K 4.1077 7.8628 119.9304 59.1674 32.1051 178.9657 106 V 3.5785 7.6309 118.3193 66.0202 31.2938 177.5665 107 E 3.8948 7.8944 117.6115 59.2562 29.5702 177.5652 108 D 4.5070 8.3523 115.4196 53.8971 41.5956 175.4796 109 E 3.9994 8.2957 116.8075 58.8717 27.3972 174.2147 110 D 5.0307 8.9508 116.0137 54.0626 41.9413 175.8469 111 F 4.8281 8.3632 120.3162 57.9054 41.2284 175.6175 112 G 3.4368 7.9451 113.8953 45.0306 0.0000 172.5297 113 Y 4.9579 7.3486 115.7214 55.5599 41.1986 174.9094 114 C 4.4133 9.3907 123.9119 59.5960 32.0939 174.0469 115 E 4.1430 9.0884 126.7966 58.9268 29.4963 178.5170 116 S 4.2660 8.1324 113.0597 60.3534 63.0055 173.3291 117 C 4.8680 7.6357 114.6026 55.8647 31.7028 174.7809 118 G 3.7915 8.6092 109.6705 47.0497 0.0000 173.8377 119 V 3.6582 7.2002 119.2587 63.2537 32.6846 174.9962 120 E 3.9795 8.5039 125.1773 55.9179 30.2512 176.1315 121 I 4.1281 8.2208 124.9197 59.6662 38.5956 176.2641 122 G 3.9108 8.7025 114.2871 46.3191 0.0000 174.5087 123 I 3.8794 8.6189 122.8678 64.4428 37.0669 178.9979 124 R 4.2575 8.0890 118.9299 59.2110 29.9349 178.3552 125 R 3.9456 7.8662 118.4792 59.3005 30.2974 178.2509 126 L 4.1923 8.3328 118.9496 57.4916 40.9772 179.1774 127 E 4.3400 8.4846 118.5855 58.7893 29.1152 179.1586 128 A 4.1739 7.4647 120.2921 53.6901 19.8612 178.3752 129 R 4.4422 8.0243 121.0889 53.2279 30.2800 173.6289 130 P 4.8884 0.0000 0.0000 63.9145 31.5527 177.7618 131 T 4.4439 8.0827 107.8193 61.2755 69.2834 174.6380 132 A 4.0650 7.9768 126.1018 53.3054 18.9207 177.3916 133 D 4.7553 8.7749 121.2996 54.4095 42.6153 176.2266 134 L 5.0289 7.5926 116.7321 52.3739 45.3294 175.8866 135 C 4.5295 8.1054 115.3108 57.2330 32.5064 174.5936 136 I 3.6664 8.1460 121.6527 64.6282 36.5479 178.4788 137 D 4.3178 7.9498 119.0845 57.7504 40.8204 178.5164 138 C 4.2132 7.9920 116.7030 62.3952 28.1958 175.9197 139 K 3.9207 8.3384 121.6745 59.8525 31.7692 179.0745 140 T 4.0117 8.2295 116.3434 66.5595 68.3364 176.3963 141 L 3.9067 8.3448 122.4814 58.1366 42.0697 178.8758 142 A 3.9984 8.1533 120.6258 55.3457 18.2555 179.5231 143 E 3.9668 8.0864 116.9493 59.3896 29.3321 179.8022 144 I 3.7030 7.9104 120.0836 64.4547 37.1656 178.4071 145 R 3.9077 8.2897 119.3518 59.4691 29.8068 178.1384 146 E 4.0521 8.2402 118.6421 59.8207 29.4111 179.0833 147 K 3.8602 8.0100 117.7067 59.4845 31.8942 179.2808 148 Q 4.0727 7.5515 117.1175 58.8646 29.1108 177.9764 149 M 4.2195 8.8049 118.8040 58.2313 32.0413 177.1864 150 A 4.3202 8.3324 121.8904 53.7278 18.7455 177.4322 151 G 3.7092 7.9739 111.1987 45.2157 0.0000 173.1570 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 7 R 8.25 4.31 0.00 1.79 1.94 0.00 3.16 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 8 K 8.56 4.22 0.00 1.82 1.78 0.00 1.68 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.52 7.81 9 T 7.21 4.70 4.36 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 1.25 0.00 0.00 10 S 8.86 4.14 0.00 3.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 S 8.46 4.28 0.00 3.85 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 12 L 7.57 3.50 0.00 1.68 1.52 0.85 0.90 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 13 S 8.77 4.21 0.00 3.78 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 14 I 7.30 3.50 1.53 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.54 0.33 0.28 0.00 0.00 15 L 7.75 3.99 0.00 1.73 1.82 0.96 0.65 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 16 A 7.62 4.10 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 17 I 8.50 3.73 1.90 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.73 0.98 0.00 0.00 18 A 7.35 4.48 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 19 G 8.33 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 0.00 0.00 0.00 20 V 7.39 4.08 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 0.69 0.00 0.00 0.84 0.00 0.00 21 E 8.32 4.74 0.00 1.96 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 2.20 2.34 0.00 22 P 0.00 4.60 0.00 2.04 2.14 0.00 3.74 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 2.04 2.08 0.00 23 Y 9.80 4.02 0.00 2.21 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 24 Q 7.36 4.00 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.71 0.00 0.00 0.00 0.00 0.00 2.01 1.87 0.00 25 E 7.83 4.12 0.00 2.13 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 0.00 2.32 2.42 0.00 26 K 10.78 4.24 0.00 1.86 1.76 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.32 7.81 27 P 0.00 3.97 0.00 2.04 2.03 0.00 3.66 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 28 G 7.71 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 0.00 0.00 0.00 29 E 7.61 4.13 0.00 2.23 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 2.68 2.37 0.00 30 E 8.57 4.33 0.00 2.00 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 2.37 2.47 0.00 31 Y 9.12 4.52 0.00 2.89 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 32 M 8.86 4.01 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 0.81 0.00 33 N 7.52 4.75 0.00 3.02 3.17 0.00 0.00 5.81 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 34 E 8.81 3.90 0.00 2.26 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 0.00 2.39 2.49 0.00 35 A 9.18 3.99 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 36 Q 7.99 3.25 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.14 2.39 0.00 37 L 8.23 4.30 0.00 2.01 2.02 0.91 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.94 3.93 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 39 H 7.60 3.91 0.00 2.86 2.91 0.00 5.59 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 40 F 7.95 4.27 0.00 3.14 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 41 R 8.19 3.77 0.00 1.85 2.03 0.00 3.06 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.57 0.00 42 R 7.80 3.96 0.00 2.06 1.98 0.00 3.26 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 43 I 7.53 3.69 2.08 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.45 0.96 0.00 0.00 44 L 8.15 4.25 0.00 1.86 1.73 0.74 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.43 3.95 0.00 2.25 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 2.32 2.31 0.00 46 A 8.30 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 W 8.57 4.29 0.00 3.50 3.35 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 48 R 8.43 3.73 0.00 1.88 2.04 0.00 3.10 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 49 N 8.50 4.34 0.00 3.06 2.87 0.00 0.00 6.72 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 50 Q 8.23 3.99 0.00 2.37 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 51 L 8.09 4.03 0.00 1.83 1.65 0.52 0.84 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 52 R 8.19 3.93 0.00 1.99 1.97 0.00 3.09 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 53 D 8.06 4.41 0.00 2.88 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 54 E 8.12 4.01 0.00 2.19 2.15 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 2.35 2.34 0.00 55 V 7.99 3.60 2.19 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 1.10 0.00 0.00 1.00 0.00 0.00 56 D 8.11 4.33 0.00 2.91 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 57 R 8.09 3.93 0.00 2.01 1.99 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.96 0.00 58 T 8.06 3.84 4.41 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 1.14 0.00 0.00 59 V 8.06 3.62 2.21 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 1.05 0.00 0.00 0.94 0.00 0.00 60 T 8.18 3.91 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 1.23 0.00 0.00 61 H 8.45 4.27 0.00 3.29 3.51 0.00 5.61 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 62 M 8.55 4.22 0.00 2.22 2.33 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.01 0.00 63 Q 8.29 4.17 0.00 2.30 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.67 0.00 64 D 8.13 4.41 0.00 3.08 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 65 E 8.41 4.08 0.00 2.24 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 2.35 2.53 0.00 66 A 8.02 4.09 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 67 A 7.46 4.35 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 68 N 8.06 4.30 0.00 2.76 2.76 0.00 0.00 7.09 7.37 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 69 F 8.21 4.80 0.00 3.02 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 70 P 0.00 4.61 0.00 2.20 2.24 0.00 3.87 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 71 D 8.45 4.62 0.00 2.85 2.64 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 72 P 0.00 4.15 0.00 2.17 2.13 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 73 V 7.87 3.67 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 0.80 0.00 0.00 0.94 0.00 0.00 74 D 8.33 4.83 0.00 2.72 2.66 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 0.00 75 R 7.64 3.91 0.00 2.03 1.91 0.00 3.03 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.62 0.00 76 A 7.99 4.19 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 77 A 7.91 4.05 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 78 Q 8.07 3.94 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 79 E 8.16 3.98 0.00 2.17 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 2.29 2.25 0.00 80 E 8.09 3.95 0.00 2.32 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 2.33 2.48 0.00 81 E 8.24 4.03 0.00 2.15 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 2.34 2.34 0.00 82 F 8.51 4.11 0.00 3.30 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.39 4.15 0.00 4.14 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 84 L 7.74 3.94 0.00 1.82 1.75 0.96 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 85 E 8.00 3.86 0.00 1.91 1.83 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 2.29 2.55 0.00 86 L 7.57 3.75 0.00 1.50 1.72 0.79 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.95 3.86 0.00 1.89 1.96 0.00 3.39 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.78 0.00 88 N 8.37 4.38 0.00 2.86 2.88 0.00 0.00 6.90 7.20 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 89 R 8.51 3.86 0.00 1.92 2.08 0.00 3.11 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 90 D 8.18 4.40 0.00 2.86 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 91 R 7.96 3.95 0.00 2.07 1.97 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 92 E 8.11 3.97 0.00 2.15 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 2.41 2.54 0.00 93 R 7.90 3.96 0.00 2.01 1.94 0.00 3.09 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 94 K 7.63 3.95 0.00 2.00 1.82 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.68 7.81 95 L 7.85 3.80 0.00 1.82 1.42 1.01 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.96 3.45 1.93 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 1.37 0.47 0.88 0.00 0.00 97 K 7.88 4.21 0.00 1.88 1.81 0.00 1.65 0.00 0.00 1.92 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.78 1.40 7.81 98 K 7.87 3.89 0.00 1.94 1.70 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.59 7.81 99 I 7.72 3.54 1.75 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.05 0.82 0.00 0.00 100 E 8.24 3.94 0.00 2.10 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 2.27 2.55 0.00 101 K 7.93 3.95 0.00 1.79 2.03 0.00 1.64 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.63 7.81 102 T 8.11 3.98 4.39 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 0.00 0.00 0.00 1.35 0.00 0.00 103 L 8.34 3.98 0.00 1.79 1.66 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.72 4.11 0.00 1.90 1.84 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.70 7.81 105 K 7.86 4.11 0.00 2.05 2.00 0.00 1.94 0.00 0.00 1.97 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.75 1.56 7.81 106 V 7.63 3.58 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 0.19 0.00 0.00 107 E 7.89 3.89 0.00 2.19 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 2.31 2.31 0.00 108 D 8.35 4.51 0.00 2.65 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 0.00 109 E 8.30 4.00 0.00 2.19 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 2.29 2.29 0.00 110 D 8.95 5.03 0.00 2.70 2.67 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 0.00 111 F 8.36 4.83 0.00 3.01 2.96 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 0.00 0.00 0.00 112 G 7.95 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.35 4.96 0.00 2.88 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 C 9.39 4.41 0.00 2.77 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 9.09 4.14 0.00 1.96 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 2.49 2.40 0.00 116 S 8.13 4.27 0.00 3.83 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 0.00 117 C 7.64 4.87 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.61 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 0.00 119 V 7.20 3.66 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 0.86 0.00 0.00 0.92 0.00 0.00 120 E 8.50 3.98 0.00 1.16 1.12 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 2.08 2.09 0.00 121 I 8.22 4.13 1.68 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.36 0.83 0.00 0.00 122 G 8.70 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 0.00 123 I 8.62 3.88 2.08 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.88 1.28 0.00 0.00 124 R 8.09 4.26 0.00 1.94 1.98 0.00 3.20 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 125 R 7.87 3.95 0.00 1.92 2.03 0.00 3.22 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 126 L 8.33 4.19 0.00 1.75 1.29 -0.35 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.48 4.34 0.00 2.35 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 0.00 2.58 2.98 0.00 128 A 7.46 4.17 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 R 8.02 4.44 0.00 1.84 1.81 0.00 3.18 0.00 0.00 3.33 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.71 0.00 130 P 0.00 4.89 0.00 2.53 2.55 0.00 3.33 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.04 0.00 131 T 8.08 4.44 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 132 A 7.98 4.06 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 0.00 133 D 8.77 4.76 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 0.00 134 L 7.59 5.03 0.00 1.58 1.53 0.92 0.89 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 0.00 135 C 8.11 4.53 0.00 3.10 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 0.00 136 I 8.15 3.67 1.86 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 1.63 0.65 0.90 0.00 0.00 137 D 7.95 4.32 0.00 2.67 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 0.00 138 C 7.99 4.21 0.00 2.96 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 K 8.34 3.92 0.00 1.96 1.94 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 140 T 8.23 4.01 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 141 L 8.34 3.91 0.00 1.93 1.83 0.92 1.12 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 0.00 142 A 8.15 4.00 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 0.00 143 E 8.09 3.97 0.00 2.18 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 2.33 2.61 0.00 144 I 7.91 3.70 1.99 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 1.86 1.69 0.95 0.00 0.00 145 R 8.29 3.91 0.00 1.99 1.99 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 146 E 8.24 4.05 0.00 2.29 2.04 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 2.32 2.53 0.00 147 K 8.01 3.86 0.00 1.91 1.86 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.71 7.81 148 Q 7.55 4.07 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 149 M 8.80 4.22 0.00 1.93 2.18 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.70 0.00 150 A 8.33 4.32 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 0.00 151 G 7.97 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 0.00 0.00 0.00