NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4247 8.1927 115.2904 57.8545 63.8509 174.2547 3 V 3.2759 8.2735 126.9065 65.8920 31.0797 176.5412 4 Y 4.0381 8.3408 116.3833 61.1628 38.2988 177.4446 5 D 4.5219 8.0521 119.1577 57.0632 41.1153 178.4791 6 A 3.9451 8.1764 121.2349 55.0534 18.4137 179.5663 7 A 3.8668 8.2395 119.1149 54.9380 18.1862 179.3687 8 A 4.1104 7.4745 118.1135 54.4812 18.5176 179.3397 9 Q 4.2231 7.8399 116.1013 57.6020 29.7362 177.1875 10 L 4.1888 7.2903 120.0946 54.3591 39.7055 177.2234 11 T 4.2274 7.7583 114.8190 60.3374 71.6721 175.0436 12 A 3.9663 8.4685 122.1541 55.6777 18.2562 179.5691 13 D 4.2928 7.9788 116.6535 57.4241 40.9955 178.9927 14 V 3.5356 7.3318 118.1740 65.9746 31.5233 178.2865 15 K 3.9093 8.1466 118.2749 59.2142 31.7420 179.3136 16 K 4.0264 7.9655 119.6192 59.5438 32.1559 178.7365 17 D 4.6403 8.1615 119.1647 57.2067 40.6957 178.7387 18 L 3.8155 7.9472 119.7852 57.5926 41.5972 179.7753 19 R 4.0219 8.0415 118.0248 59.4703 30.2971 178.7669 20 D 4.4864 8.4804 119.1619 57.5167 40.8741 179.1104 21 S 3.1960 8.2235 114.6519 60.7095 63.0762 176.3026 22 W 4.3639 8.5180 131.8647 59.8668 30.1997 177.8764 23 K 3.7697 7.8950 119.0457 58.7056 31.5000 178.4444 24 V 3.8051 6.8099 116.4563 65.1335 31.6823 178.0754 25 I 3.5132 7.2359 110.4440 63.0066 37.6454 177.0391 26 G 2.1604 6.8764 108.8537 45.8085 0.0000 174.9288 27 S 4.0504 7.0844 114.1268 60.2140 63.5235 174.1009 28 D 4.6539 7.2485 120.2335 51.0772 41.1500 175.4035 29 K 3.8393 8.0261 123.4506 58.5853 32.5020 178.3867 30 K 4.0044 7.9554 119.5957 59.3270 32.3792 178.8923 31 G 4.0908 8.0273 106.7473 47.6995 0.0000 175.3227 32 N 4.4995 8.2686 119.6598 54.9799 38.5367 178.0684 33 G 3.4814 7.9265 107.7211 47.8439 0.0000 176.0948 34 V 3.6839 7.9468 121.9418 64.7985 31.4735 177.9789 35 A 4.0085 7.6303 121.6009 54.3757 18.2026 179.5814 36 L 3.7534 7.9733 117.5438 58.2155 41.7576 179.6541 37 M 3.5044 7.7027 118.6111 58.4619 31.8689 179.0319 38 T 3.9682 8.0466 110.1766 65.1653 68.7994 176.7117 39 T 3.9824 7.8040 118.5772 65.9588 68.3092 176.6484 40 L 3.8234 7.5368 122.4618 58.2371 41.7531 179.1489 41 F 4.5182 7.7972 117.3879 60.2426 38.5219 177.7018 42 A 4.0718 7.7791 120.0990 55.1942 18.4156 178.9576 43 D 4.6144 8.1903 115.8579 55.4499 42.6914 176.8243 44 N 5.2545 8.2552 115.7720 49.3522 38.9204 174.9225 45 Q 4.3375 8.4000 121.3825 57.9493 28.8840 178.1491 46 E 4.1633 8.2661 117.9944 58.6964 29.8076 178.4736 47 T 4.1935 8.3831 110.8934 64.0162 69.2728 176.5764 48 I 3.8992 7.8884 123.2392 64.3241 36.7647 178.2364 49 G 3.5478 7.4242 105.7063 47.8421 0.0000 175.0388 50 Y 4.2540 7.9286 117.6778 59.4238 38.3063 176.2153 51 F 5.0006 7.9709 119.4073 56.7453 40.0003 178.2603 52 K 3.9426 8.2685 122.2382 59.5955 32.1719 179.6286 53 R 3.8891 8.0232 117.4502 59.0888 29.9928 177.1207 54 L 4.1950 7.7486 116.2715 55.2919 42.5900 179.0017 55 G 3.7376 8.0203 106.5800 45.8053 0.0000 175.2517 56 N 4.4829 8.4349 119.5345 53.1469 38.7636 176.1996 57 V 3.8548 7.9338 120.9307 62.4991 31.6662 177.5099 58 S 4.3710 7.7567 113.9644 60.2380 63.3111 175.5163 59 Q 4.1845 8.0576 121.8772 55.3356 28.9790 177.4119 60 G 3.8501 8.5291 109.3687 46.2841 0.0000 175.5370 61 M 3.9346 9.1253 121.7191 58.3228 31.8269 176.9942 62 A 4.0050 7.6576 119.8943 54.0411 18.8164 177.2029 63 N 4.6217 8.1738 115.4300 52.5053 39.4846 174.9782 64 D 4.3732 8.6832 128.6207 57.6869 41.0987 178.8277 65 K 3.9762 8.1952 118.2317 59.5916 31.9517 178.9889 66 L 4.0586 8.2489 120.5040 58.0951 42.0274 178.9873 67 R 4.0195 8.4246 119.1377 59.2047 29.9997 178.8040 68 G 3.6185 8.6049 106.2253 47.9702 0.0000 175.2934 69 H 4.2677 8.3492 120.8415 59.0688 30.0549 177.4771 70 S 4.0871 8.4363 117.3157 61.7607 62.4601 176.8775 71 I 3.8884 7.5793 121.1406 64.7969 37.0460 178.4444 72 T 4.2301 8.0582 116.5606 66.3391 68.2751 176.5307 73 L 4.0363 8.0782 122.5636 58.5230 42.1501 179.0065 74 M 4.2526 7.8450 117.4008 58.1938 31.8610 177.9446 75 Y 4.1414 7.8215 116.3267 59.8925 38.1465 177.6376 76 A 3.7587 7.7979 122.2518 54.8206 18.4948 179.6281 77 L 3.6007 7.4967 117.0411 57.6283 41.7296 179.1770 78 Q 3.4440 7.7063 119.5424 58.9362 28.7293 177.9192 79 N 4.1697 7.3956 116.6466 56.7965 39.4024 176.3285 80 F 4.5180 7.3161 118.9470 60.8333 38.8644 177.7339 81 I 3.4993 7.5533 119.2098 64.4618 36.6533 178.0580 82 D 4.4812 7.9524 117.6651 56.1559 40.9817 177.5871 83 Q 4.4203 7.6838 117.4986 55.8532 29.0062 177.1414 84 L 4.0043 7.4302 120.8586 57.6334 41.6387 178.0977 85 D 4.3617 8.0242 117.7142 55.9550 41.3469 175.8756 86 N 4.8173 8.0479 117.3889 50.4131 40.4317 172.5735 87 P 4.2765 0.0000 0.0000 65.9008 31.0447 177.9700 88 D 4.4191 8.2868 118.8693 57.2845 40.6949 178.2698 89 D 4.4004 8.1700 119.0371 56.9616 41.0479 178.3114 90 L 3.9435 7.9883 120.9898 58.0678 42.0417 179.3099 91 V 3.4384 7.7528 118.4796 66.0435 31.3907 177.8761 92 C 4.2463 7.9232 114.1456 61.1429 29.4107 176.1929 93 V 3.8017 7.8376 115.1688 63.9918 31.2814 178.6257 94 V 3.6007 7.8606 118.1429 65.9917 31.1905 178.0174 95 E 3.9550 8.2206 118.4550 59.2092 29.0641 179.1779 96 K 3.9721 7.7421 118.6877 59.4319 32.7117 178.3121 97 F 4.3579 8.5776 120.9156 61.3024 39.2786 177.0399 98 A 3.7370 8.4825 120.4976 55.1845 18.1687 179.4518 99 V 3.3624 7.5059 116.3522 66.7933 31.1887 177.9901 100 N 4.3084 8.0079 115.3753 56.6481 38.4762 177.0398 101 H 4.1971 7.4885 115.0878 58.2839 28.7570 177.8305 102 I 3.7835 7.9520 122.7917 64.2066 36.7769 178.2119 103 T 4.0684 7.6452 109.0400 63.8416 68.7112 175.8952 104 R 4.3414 7.2819 118.4369 54.5802 30.9213 176.2229 105 K 3.7777 7.6815 116.8884 57.4348 30.1393 176.1049 106 I 4.0323 7.7226 119.2744 59.8860 37.7765 177.4346 107 S 4.4889 8.3699 120.8922 57.4708 65.4413 174.7639 108 A 4.0273 8.5025 123.2096 55.1132 17.7851 179.8633 109 A 3.9799 7.9039 118.2974 55.2786 18.9169 179.1725 110 E 4.1304 8.0215 116.6753 59.7390 29.6163 179.4027 111 F 4.1070 8.7591 121.0906 61.2131 39.4472 177.1713 112 G 3.8592 8.3655 104.8508 47.0127 0.0000 175.3966 113 K 4.1811 8.0350 120.5502 58.6837 32.0142 178.6424 114 I 3.7576 7.6831 119.0639 63.2459 37.8152 177.2957 115 N 4.4602 8.1731 118.0056 56.3026 38.3237 177.2407 116 G 3.5841 7.6826 106.1483 47.5090 0.0000 173.8159 117 P 4.2262 0.0000 0.0000 65.1205 31.3515 178.7854 118 I 3.5029 7.6915 118.4993 64.1327 36.9136 178.3774 119 K 3.9742 8.0833 120.4643 59.4752 32.0422 179.0851 120 K 3.9682 8.1052 118.8336 59.4001 31.7564 179.6065 121 V 3.5697 7.7182 117.7800 65.7379 31.5894 177.9001 122 L 4.0458 7.9763 118.6169 57.7642 41.5267 179.1793 123 A 4.1672 8.2745 121.1396 55.2797 18.0598 179.7576 124 S 4.2492 8.1365 111.5167 60.4482 63.0449 175.8143 125 K 4.4781 7.8454 120.9578 55.5867 32.3053 175.5341 126 N 4.1443 8.0038 115.8073 54.5487 37.5551 173.8769 127 F 4.5217 8.2193 115.3037 54.9546 40.4726 176.7525 128 G 4.0389 8.5543 115.1525 44.2886 0.0000 171.6966 129 D 4.4994 8.9114 118.6929 57.6528 40.2981 178.5741 130 K 3.8708 8.1645 119.3763 59.8482 31.9848 178.0754 131 Y 4.3024 8.1094 116.1540 60.5436 38.0182 177.6856 132 A 4.1949 8.1556 121.3995 55.4581 18.5254 179.3273 133 N 4.4069 8.9519 115.0880 56.1177 38.3068 177.6375 134 A 3.9555 7.7290 121.8392 55.0899 18.4752 179.8203 135 W 3.8841 8.6762 117.2244 59.5268 29.0561 178.6897 136 A 4.1014 8.1705 121.1687 54.9098 17.5303 179.8018 137 K 3.8769 7.5753 116.0281 59.5370 32.4728 178.9836 138 L 3.9084 7.5014 120.3913 58.1365 41.9416 179.1244 139 V 3.7107 8.1555 118.1109 65.9757 31.4126 177.7735 140 A 4.4200 8.0609 121.9708 54.5422 17.9046 179.7750 141 V 3.4076 7.2858 116.1507 66.0532 31.8362 178.1872 142 V 3.4802 7.3305 117.5627 65.8262 31.2901 177.8463 143 Q 3.8759 8.2019 117.8138 58.8128 28.3715 178.4111 144 A 4.0944 7.8877 119.7722 53.6976 18.4898 178.2403 145 A 4.3874 7.4557 117.4848 51.8707 19.8406 176.8704 146 L 4.1001 7.4723 122.4608 54.7086 41.8321 176.5653 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 2 S 8.19 4.42 0.00 3.93 4.09 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 0.00 0.00 0.00 3 V 8.27 3.28 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.76 0.00 0.00 4 Y 8.34 4.04 0.00 3.00 2.99 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 0.00 0.00 0.00 5 D 8.05 4.52 0.00 2.85 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 6 A 8.18 3.95 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 7 A 8.24 3.87 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 8 A 7.47 4.11 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 9 Q 7.84 4.22 0.00 2.21 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.25 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 10 L 7.29 4.19 0.00 1.65 1.55 0.77 0.88 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 11 T 7.76 4.23 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 12 A 8.47 3.97 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 13 D 7.98 4.29 0.00 2.67 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 14 V 7.33 3.54 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.88 0.00 0.00 15 K 8.15 3.91 0.00 1.94 1.79 0.00 1.73 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.62 7.81 16 K 7.97 4.03 0.00 1.99 1.93 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.66 1.51 7.81 17 D 8.16 4.64 0.00 2.91 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 18 L 7.95 3.82 0.00 1.65 1.24 0.56 -0.41 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 19 R 8.04 4.02 0.00 2.08 2.05 0.00 3.15 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 20 D 8.48 4.49 0.00 2.92 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 21 S 8.22 3.20 0.00 3.47 3.62 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 22 W 8.52 4.36 0.00 3.82 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 7.90 3.77 0.00 2.11 1.81 0.00 1.87 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.47 7.81 24 V 6.81 3.81 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.04 0.00 0.00 25 I 7.24 3.51 1.58 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 1.26 0.26 0.59 0.00 0.00 26 G 6.88 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 0.00 0.00 0.00 27 S 7.08 4.05 0.00 3.86 3.96 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 28 D 7.25 4.65 0.00 2.61 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.03 3.84 0.00 1.72 1.68 0.00 1.16 0.00 0.00 0.69 0.00 0.00 2.29 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.26 1.36 7.81 30 K 7.96 4.00 0.00 1.82 1.78 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.51 7.81 31 G 8.03 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.27 4.50 0.00 2.68 2.73 0.00 0.00 7.02 6.89 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 33 G 7.93 3.48 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 0.00 0.00 0.00 0.00 34 V 7.95 3.68 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 1.21 0.00 0.00 1.00 0.00 0.00 35 A 7.63 4.01 1.35 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 36 L 7.97 3.75 0.00 1.77 1.58 0.80 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 37 M 7.70 3.50 0.00 1.64 1.94 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 2.53 2.70 0.00 38 T 8.05 3.97 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 1.29 0.00 0.00 39 T 7.80 3.98 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 1.18 0.00 0.00 40 L 7.54 3.82 0.00 1.59 1.29 0.89 0.69 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 41 F 7.80 4.52 0.00 3.10 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 42 A 7.78 4.07 1.39 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 0.00 0.00 0.00 43 D 8.19 4.61 0.00 2.72 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 N 8.26 5.25 0.00 2.98 2.91 0.00 0.00 7.01 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 45 Q 8.40 4.34 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.92 0.00 0.00 0.00 0.00 0.00 2.48 2.59 0.00 46 E 8.27 4.16 0.00 2.18 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 2.46 2.37 0.00 47 T 8.38 4.19 4.72 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 1.46 0.00 0.00 48 I 7.89 3.90 1.91 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 1.06 1.16 0.68 0.00 0.00 49 G 7.42 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.93 4.25 0.00 2.72 2.48 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 0.00 51 F 7.97 5.00 0.00 3.04 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 52 K 8.27 3.94 0.00 1.81 1.85 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.62 7.81 53 R 8.02 3.89 0.00 1.78 2.01 0.00 3.25 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 54 L 7.75 4.19 0.00 1.88 1.75 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.02 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 0.00 0.00 0.00 56 N 8.43 4.48 0.00 2.82 2.73 0.00 0.00 6.95 7.71 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 57 V 7.93 3.85 1.80 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 0.64 0.00 0.00 0.38 0.00 0.00 58 S 7.76 4.37 0.00 3.97 3.96 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 59 Q 8.06 4.18 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.81 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 60 G 8.53 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 M 9.13 3.93 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 62 A 7.66 4.00 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 63 N 8.17 4.62 0.00 2.79 2.87 0.00 0.00 7.02 8.04 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 64 D 8.68 4.37 0.00 2.74 2.73 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 65 K 8.20 3.98 0.00 1.99 1.92 0.00 1.69 0.00 0.00 1.90 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.53 7.81 66 L 8.25 4.06 0.00 1.83 1.86 1.07 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.42 4.02 0.00 2.05 2.06 0.00 3.16 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 68 G 8.60 3.62 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 0.00 0.00 0.00 69 H 8.35 4.27 0.00 3.39 3.55 0.00 5.79 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 70 S 8.44 4.09 0.00 4.03 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 71 I 7.58 3.89 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.72 1.13 0.00 0.00 72 T 8.06 4.23 4.43 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 1.29 0.00 0.00 73 L 8.08 4.04 0.00 1.78 1.88 0.90 0.78 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 74 M 7.85 4.25 0.00 2.10 2.13 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 2.79 2.90 0.00 75 Y 7.82 4.14 0.00 3.17 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 76 A 7.80 3.76 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 77 L 7.50 3.60 0.00 1.57 1.26 0.96 1.12 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 78 Q 7.71 3.44 0.00 2.45 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.80 0.00 0.00 0.00 0.00 0.00 2.54 2.64 0.00 79 N 7.40 4.17 0.00 2.76 2.60 0.00 0.00 7.29 7.01 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 80 F 7.32 4.52 0.00 2.99 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 81 I 7.55 3.50 1.57 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 -0.25 0.80 0.00 0.00 82 D 7.95 4.48 0.00 2.78 2.73 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 83 Q 7.68 4.42 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.65 2.56 0.00 84 L 7.43 4.00 0.00 1.56 1.68 0.76 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.02 4.36 0.00 2.66 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 86 N 8.05 4.82 0.00 2.72 2.75 0.00 0.00 6.82 7.76 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 87 P 0.00 4.28 0.00 2.30 2.29 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 88 D 8.29 4.42 0.00 2.99 2.78 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 89 D 8.17 4.40 0.00 2.82 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.99 3.94 0.00 1.89 1.75 0.83 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.75 3.44 2.20 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 0.68 0.00 0.00 0.90 0.00 0.00 92 C 7.92 4.25 0.00 3.16 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 7.84 3.80 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 0.80 0.00 0.00 1.14 0.00 0.00 94 V 7.86 3.60 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 0.79 0.00 0.00 0.47 0.00 0.00 95 E 8.22 3.96 0.00 2.06 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 2.21 2.41 0.00 96 K 7.74 3.97 0.00 1.79 2.18 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.59 7.81 97 F 8.58 4.36 0.00 3.46 3.31 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 98 A 8.48 3.74 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 99 V 7.51 3.36 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 1.00 0.00 0.00 1.00 0.00 0.00 100 N 8.01 4.31 0.00 2.73 2.73 0.00 0.00 6.96 8.16 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 0.00 101 H 7.49 4.20 0.00 3.22 3.28 0.00 5.81 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 0.00 102 I 7.95 3.78 2.00 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 1.53 1.03 0.89 0.00 0.00 103 T 7.65 4.07 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 104 R 7.28 4.34 0.00 1.72 1.90 0.00 3.10 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 1.55 1.72 0.00 105 K 7.68 3.78 0.00 1.91 1.91 0.00 1.58 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.45 7.81 106 I 7.72 4.03 1.96 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.61 0.90 0.00 0.00 107 S 8.37 4.49 0.00 4.08 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 0.00 108 A 8.50 4.03 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 0.00 109 A 7.90 3.98 1.35 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 0.00 110 E 8.02 4.13 0.00 2.33 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 2.42 2.55 0.00 111 F 8.76 4.11 0.00 3.28 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 0.00 112 G 8.37 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 0.00 113 K 8.03 4.18 0.00 1.95 1.89 0.00 1.85 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.50 1.77 7.81 114 I 7.68 3.76 1.54 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.10 0.70 0.00 0.00 115 N 8.17 4.46 0.00 3.00 2.89 0.00 0.00 6.70 7.62 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 0.00 116 G 7.68 3.58 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 0.00 0.00 0.00 117 P 0.00 4.23 0.00 2.16 2.15 0.00 3.68 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 2.02 2.12 0.00 118 I 7.69 3.50 1.96 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 1.17 0.96 0.66 0.00 0.00 119 K 8.08 3.97 0.00 1.95 2.01 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.53 7.81 120 K 8.11 3.97 0.00 1.95 1.81 0.00 1.79 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.59 7.81 121 V 7.72 3.57 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 0.69 0.00 0.00 0.84 0.00 0.00 122 L 7.98 4.05 0.00 1.94 1.93 0.94 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.27 4.17 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 0.00 124 S 8.14 4.25 0.00 4.03 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 0.00 125 K 7.85 4.48 0.00 2.02 2.04 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.50 7.81 126 N 8.00 4.14 0.00 2.78 2.64 0.00 0.00 6.91 7.15 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 0.00 127 F 8.22 4.52 0.00 3.10 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 0.00 128 G 8.55 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 0.00 129 D 8.91 4.50 0.00 2.81 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 0.00 130 K 8.16 3.87 0.00 1.70 1.49 0.00 1.53 0.00 0.00 1.67 0.00 0.00 2.50 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.14 1.39 7.81 131 Y 8.11 4.30 0.00 3.49 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 0.00 132 A 8.16 4.19 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.95 4.41 0.00 2.79 2.90 0.00 0.00 6.93 7.64 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 0.00 134 A 7.73 3.96 1.39 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 0.00 0.00 0.00 135 W 8.68 3.88 0.00 3.60 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.17 4.10 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.58 3.88 0.00 1.79 1.83 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.81 1.55 7.81 138 L 7.50 3.91 0.00 1.44 1.68 0.60 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.16 3.71 2.35 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 1.29 0.00 0.00 1.17 0.00 0.00 140 A 8.06 4.42 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 V 7.29 3.41 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 0.59 0.00 0.00 0.83 0.00 0.00 142 V 7.33 3.48 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 0.40 0.00 0.00 0.46 0.00 0.00 143 Q 8.20 3.88 0.00 2.28 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.50 2.70 0.00 144 A 7.89 4.09 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 0.00 145 A 7.46 4.39 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 0.00 146 L 7.47 4.10 0.00 1.72 1.52 0.64 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00