NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.5034 8.4244 119.1920 53.2497 39.7988 175.2792 4 Q 3.9357 8.7852 113.6560 55.3016 30.9288 173.1957 5 Y 5.5816 9.1083 122.6001 55.3872 42.8564 173.2855 6 Y 5.0614 9.3427 122.3505 55.7481 42.3618 174.0293 7 G 3.4846 8.3968 114.2049 45.5547 0.0000 172.6656 8 T 3.7739 7.7857 116.4957 60.0020 68.2532 171.6388 9 G 4.2854 9.7230 113.1638 44.6009 0.0000 172.9648 10 R 4.7605 7.9516 117.4056 56.0935 31.1390 173.9648 11 R 4.2391 8.5758 112.4285 56.7868 32.7382 174.0633 12 K 3.9206 9.1148 119.1072 59.0252 28.8234 174.8411 13 S 3.6756 7.8556 106.7712 59.0139 62.5461 172.9758 14 S 5.2437 8.0334 114.1214 56.6333 64.8444 172.0531 15 A 4.7689 8.5603 130.1572 50.4208 20.4485 175.6235 16 A 4.9968 8.7888 124.6950 50.4221 22.3788 176.7791 17 R 4.5112 8.7112 117.6524 54.9145 33.6438 174.5573 18 V 4.6490 8.3523 124.5125 61.2463 34.4595 174.5864 19 F 6.0740 8.6271 124.1959 54.1090 39.9187 172.4181 20 I 4.3186 8.2086 121.8312 61.6406 38.2348 174.6373 21 K 4.7866 9.4520 128.3212 52.9538 36.0207 174.7578 22 P 4.7151 0.0000 0.0000 62.8927 29.8991 177.4142 23 G 4.3466 7.9613 108.1409 45.4895 0.0000 173.0179 24 N 4.1125 7.9799 118.7300 52.2492 38.4353 176.9870 25 G 5.1765 7.0785 107.6512 44.4421 0.0000 172.7879 26 K 4.3784 7.2713 120.9547 55.6595 34.1761 175.8130 27 I 4.6970 8.2540 124.8176 59.8606 40.2146 175.4455 28 V 5.1652 8.1027 128.2353 60.0400 32.6421 172.8344 29 I 3.9570 8.0071 126.2280 60.4995 38.7445 175.6510 30 N 3.9676 9.0741 125.3624 54.4254 36.5844 174.0894 31 Q 3.6747 8.0620 109.5529 57.1979 26.3814 173.6587 32 R 4.6559 7.8243 115.6642 54.1823 34.2922 174.8564 33 S 4.7485 8.1937 113.0535 57.3998 62.9319 173.4943 34 L 4.0871 8.1040 124.4203 58.7222 42.3055 178.8931 35 E 4.6717 7.9894 116.3473 57.1231 29.7009 178.2415 36 Q 4.2840 8.3211 119.1636 58.0308 30.6601 176.1352 37 Y 4.3248 7.5385 116.8058 59.4551 39.2685 175.7896 38 F 5.1934 7.9612 115.4241 56.5245 41.0637 174.4594 39 G 4.4738 8.3159 108.9769 46.5366 0.0000 173.2767 40 R 3.7408 8.6639 119.5857 56.4806 28.8942 175.8163 41 E 4.7023 7.7226 112.7810 54.8195 33.8631 176.9121 42 T 3.8867 8.5930 113.5293 63.2980 67.3449 175.3431 43 A 3.9874 8.4152 124.0521 54.6343 18.7092 180.3224 44 R 4.1540 7.9337 112.1173 58.5842 29.6319 177.8361 45 M 4.2391 7.7860 118.1225 58.4351 31.4326 178.6633 46 V 3.9623 7.6666 114.7486 63.5628 31.4182 178.8784 47 V 3.8485 7.7094 110.9130 63.8406 31.6425 177.9124 48 R 4.2445 7.9300 117.3004 57.6551 30.0797 178.4914 49 Q 4.2954 7.6031 117.6518 58.6382 28.8110 177.1753 50 P 4.0694 0.0000 0.0000 63.6620 31.5297 176.4794 51 L 4.5006 7.7676 118.8711 56.5429 43.3773 178.2136 52 E 4.1292 8.9892 117.2149 58.2487 29.4114 177.9537 53 L 4.4725 7.6777 118.7387 55.2438 43.4227 176.7073 54 V 4.1162 7.2893 108.6628 60.0829 32.4502 171.1938 55 D 4.6604 9.1447 129.3808 53.9502 41.9668 173.3731 56 M 4.4112 8.1004 119.5625 55.8422 33.0631 175.2524 57 V 3.7926 8.7773 117.2794 64.0322 31.7926 173.3198 58 E 4.8025 8.6982 114.5725 55.5616 30.4239 175.9121 59 K 4.5569 8.3291 119.0806 57.6908 35.3999 176.0181 60 L 4.5751 7.0171 117.7916 55.7845 43.3140 172.4158 61 D 5.7295 8.5893 120.0446 53.1942 41.8015 174.3470 62 L 5.5052 7.7820 115.3161 57.0495 44.5528 173.2628 63 Y 5.0511 8.6323 120.8551 56.2045 40.7059 174.2129 64 I 4.6286 8.0193 128.1721 61.0246 39.6549 176.1184 65 T 4.4869 8.4582 121.6061 63.0771 72.1029 172.9712 66 V 5.0656 8.2100 125.5703 59.9923 34.7802 174.9099 67 K 4.6011 8.7503 119.8700 56.0274 37.3435 172.9883 68 G 4.0816 9.2113 116.1515 46.5704 0.0000 172.6034 69 G 4.1014 9.3459 107.2005 43.9509 0.0000 170.8718 70 G 4.1434 8.2877 108.1726 43.5393 0.0000 171.6635 71 I 4.0870 8.1862 118.5459 64.8606 36.8301 178.3060 72 S 4.0483 8.0131 114.3930 61.4116 62.7073 176.7727 73 G 3.5440 7.8930 108.6455 47.8270 0.0000 175.1392 74 Q 4.1736 9.3906 123.5384 57.8703 28.8690 178.7669 75 A 3.9997 8.3175 121.6165 55.5016 18.0843 179.7334 76 G 3.5860 8.0868 102.4894 47.9035 0.0000 175.1236 77 A 4.1814 8.3579 123.5909 55.0064 18.3844 179.6337 78 I 3.6723 8.1299 118.5791 64.7562 37.2427 178.5266 79 R 4.0501 8.0509 119.2424 59.5614 29.6231 178.0812 80 H 4.3271 8.3666 118.2717 59.1917 29.9565 177.2244 81 G 3.6605 8.0104 108.3119 47.5774 0.0000 174.8089 82 I 3.6838 8.2035 122.4838 64.3276 36.8830 178.1335 83 T 3.7796 7.8005 114.4048 65.4782 67.5661 176.3265 84 R 3.9640 8.2977 120.1579 59.0773 30.0952 178.7970 85 A 4.7288 8.0695 122.2719 54.6939 18.3497 179.4115 86 L 4.0757 7.9967 117.5482 58.2066 40.9286 179.4198 87 M 4.3524 7.8047 117.8411 58.2931 32.0195 177.7231 88 E 3.8465 8.5847 118.5452 58.0321 29.3079 177.7887 89 Y 4.1155 6.5333 119.0708 57.9450 39.9255 175.0170 90 D 4.2849 8.3605 121.9570 53.2827 42.1570 174.8599 91 E 4.2169 8.5742 124.0123 57.4365 29.5466 177.8757 92 S 4.6735 8.2706 114.5780 58.2291 63.3266 174.9595 93 L 4.6261 7.4449 120.8798 55.8671 41.2552 178.4595 94 R 3.8875 7.9267 119.0420 58.8833 29.8188 178.1342 95 S 4.0805 8.1796 113.0749 61.8626 62.3279 176.1367 96 E 4.0824 7.9586 120.6584 59.0767 28.8564 179.3472 97 L 3.9740 7.7239 118.8794 57.9056 41.7888 178.7392 98 R 3.8479 8.8025 119.3294 59.3632 29.7904 178.3851 99 K 4.1152 7.9772 118.6273 59.9453 32.3997 177.7177 100 A 4.6314 7.7972 119.3935 50.6704 19.7431 176.4831 101 G 3.6679 8.5702 111.4827 46.5605 0.0000 172.8566 102 F 4.9252 8.5132 121.3457 59.4001 46.7615 177.5856 103 V 3.8842 8.1664 112.5339 64.3991 31.5809 177.3975 104 T 3.9202 7.2554 109.5044 61.5178 69.0266 173.7920 105 R 4.1086 8.2209 124.2379 54.3149 30.4150 174.9117 106 D 4.3475 8.4926 126.1978 54.6296 40.2596 176.6227 107 A 4.4098 8.0445 133.0743 51.5768 16.8212 177.5459 108 R 4.7081 7.2603 119.6057 54.0083 34.2903 175.5592 109 Q 4.5346 8.4695 120.5012 54.3396 32.0133 173.8035 110 V 3.4994 8.2050 122.6774 63.0148 32.1862 174.8922 111 E 4.3620 8.4902 126.5136 54.7615 30.4565 176.1798 112 R 4.0836 8.3683 123.0593 55.4917 30.3634 176.2430 113 K 4.1482 8.5410 122.7908 56.4024 32.5826 176.0292 114 K 4.6163 8.3123 125.0666 54.1452 34.1579 176.4010 115 V 3.6366 8.0475 121.5737 63.2415 31.9861 174.8321 116 G 4.2845 9.0259 113.1468 45.9876 0.0000 174.0165 117 L 4.3777 6.8816 116.7850 53.6845 43.1188 176.0333 118 R 4.4970 8.1841 117.1609 56.6396 32.3047 176.0504 119 K 4.3106 7.9966 114.6223 56.2426 33.1811 176.4261 120 A 4.1999 8.3438 121.1317 53.6912 18.5774 178.3832 121 R 4.5449 8.5470 111.0462 57.6461 36.8973 174.4491 122 R 3.8424 8.0781 120.9412 56.7165 29.3875 174.5702 123 R 4.6207 8.2616 124.4558 53.6842 31.0932 175.1790 124 P 4.3220 0.0000 0.0000 62.7302 31.6146 176.1737 125 Q 4.2245 8.6605 120.2258 56.3674 29.2576 175.9671 126 F 4.6586 8.8254 114.1918 55.9180 39.1051 180.0936 127 S 2.8638 7.1327 112.7016 59.3689 65.2017 171.9432 128 K 3.8114 7.0609 120.9150 55.8082 33.0110 176.9949 129 R 4.6111 8.5561 125.3737 56.5982 30.0782 175.5249 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 N 8.42 4.50 0.00 2.63 2.55 0.00 0.00 6.95 6.19 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 4 Q 8.79 3.94 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.62 0.00 0.00 0.00 0.00 0.00 2.45 2.43 0.00 5 Y 9.11 5.58 0.00 3.14 3.12 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 6 Y 9.34 5.06 0.00 2.93 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 7 G 8.40 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 8 T 7.79 3.77 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 1.28 0.00 0.00 9 G 9.72 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 0.00 0.00 0.00 0.00 10 R 7.95 4.76 0.00 1.97 1.86 0.00 3.09 0.00 0.00 3.30 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.49 0.00 11 R 8.58 4.24 0.00 1.92 1.94 0.00 2.87 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 12 K 9.11 3.92 0.00 1.90 1.87 0.00 1.87 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.33 1.38 7.81 13 S 7.86 3.68 0.00 4.08 3.97 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 14 S 8.03 5.24 0.00 4.04 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.56 4.77 1.26 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 16 A 8.79 5.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.71 4.51 0.00 1.80 2.04 0.00 3.17 0.00 0.00 3.14 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 18 V 8.35 4.65 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 0.98 0.00 0.00 0.86 0.00 0.00 19 F 8.63 6.07 0.00 3.45 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 20 I 8.21 4.32 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.60 1.14 0.00 0.00 21 K 9.45 4.79 0.00 1.91 1.78 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.25 1.26 7.81 22 P 0.00 4.72 0.00 2.22 2.12 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 1.96 1.94 0.00 23 G 7.96 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 7.98 4.11 0.00 3.00 3.09 0.00 0.00 5.85 6.93 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 25 G 7.08 5.18 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 0.00 0.00 0.00 26 K 7.27 4.38 0.00 1.85 1.71 0.00 1.59 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.44 7.81 27 I 8.25 4.70 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.70 0.97 0.00 0.00 28 V 8.10 5.17 2.34 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 1.27 0.00 0.00 1.02 0.00 0.00 29 I 8.01 3.96 1.65 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 1.34 0.56 0.70 0.00 0.00 30 N 9.07 3.97 0.00 2.13 2.49 0.00 0.00 7.10 7.24 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 31 Q 8.06 3.67 0.00 2.17 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 32 R 7.82 4.66 0.00 1.80 1.74 0.00 3.06 0.00 0.00 3.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 33 S 8.19 4.75 0.00 3.87 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 34 L 8.10 4.09 0.00 1.81 1.63 1.04 0.94 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 35 E 7.99 4.67 0.00 2.16 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 0.00 2.43 2.41 0.00 36 Q 8.32 4.28 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.03 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 37 Y 7.54 4.32 0.00 2.58 2.42 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 38 F 7.96 5.19 0.00 3.14 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 G 8.32 4.47 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 0.00 40 R 8.66 3.74 0.00 1.88 1.94 0.00 3.23 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 41 E 7.72 4.70 0.00 2.34 1.74 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 2.23 2.44 0.00 42 T 8.59 3.89 4.21 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 1.15 0.00 0.00 43 A 8.42 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 7.93 4.15 0.00 2.10 2.34 0.00 3.13 0.00 0.00 3.59 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.76 0.00 45 M 7.79 4.24 0.00 2.24 2.35 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 2.61 2.69 0.00 46 V 7.67 3.96 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 1.02 0.00 0.00 0.91 0.00 0.00 47 V 7.71 3.85 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 0.96 0.00 0.00 1.08 0.00 0.00 48 R 7.93 4.24 0.00 2.05 2.24 0.00 3.18 0.00 0.00 3.19 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.88 0.00 49 Q 7.60 4.30 0.00 2.58 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.93 0.00 0.00 0.00 0.00 0.00 2.48 2.57 0.00 50 P 0.00 4.07 0.00 2.06 2.06 0.00 3.75 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 51 L 7.77 4.50 0.00 1.85 1.66 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.99 4.13 0.00 1.81 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 2.58 2.49 0.00 53 L 7.68 4.47 0.00 1.61 1.47 0.83 0.90 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 54 V 7.29 4.12 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 0.71 0.00 0.00 0.96 0.00 0.00 55 D 9.14 4.66 0.00 2.79 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 56 M 8.10 4.41 0.00 2.15 2.13 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 2.55 2.56 0.00 57 V 8.78 3.79 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 0.80 0.00 0.00 0.94 0.00 0.00 58 E 8.70 4.80 0.00 2.00 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 2.30 2.39 0.00 59 K 8.33 4.56 0.00 1.61 1.76 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.35 1.32 7.81 60 L 7.02 4.58 0.00 1.71 1.60 0.65 0.52 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 61 D 8.59 5.73 0.00 2.83 3.08 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 62 L 7.78 5.51 0.00 1.81 1.95 0.94 0.67 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 63 Y 8.63 5.05 0.00 3.10 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 64 I 8.02 4.63 1.79 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.34 0.91 0.00 0.00 65 T 8.46 4.49 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 66 V 8.21 5.07 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 0.84 0.00 0.00 1.03 0.00 0.00 67 K 8.75 4.60 0.00 1.76 1.70 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.43 7.81 68 G 9.21 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 0.00 0.00 0.00 69 G 9.35 4.10 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 0.00 0.00 0.00 70 G 8.29 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.19 4.09 1.84 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 1.68 0.50 0.87 0.00 0.00 72 S 8.01 4.05 0.00 3.97 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 73 G 7.89 3.54 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 0.00 0.00 0.00 0.00 74 Q 9.39 4.17 0.00 2.60 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.79 2.53 0.00 75 A 8.32 4.00 0.72 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 0.00 0.00 76 G 8.09 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 77 A 8.36 4.18 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.13 3.67 2.16 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.00 0.99 0.00 0.00 79 R 8.05 4.05 0.00 1.96 2.16 0.00 3.42 0.00 0.00 3.16 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.02 0.00 80 H 8.37 4.33 0.00 3.30 3.39 0.00 5.85 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 81 G 8.01 3.66 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 0.00 0.00 0.00 82 I 8.20 3.68 1.87 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 1.41 1.09 0.89 0.00 0.00 83 T 7.80 3.78 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 1.35 0.00 0.00 84 R 8.30 3.96 0.00 1.90 1.81 0.00 3.23 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.54 0.00 85 A 8.07 4.73 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 86 L 8.00 4.08 0.00 1.94 1.73 0.95 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 87 M 7.80 4.35 0.00 2.27 2.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.74 0.00 88 E 8.58 3.85 0.00 1.40 1.68 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 2.32 2.30 0.00 89 Y 6.53 4.12 0.00 2.88 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 90 D 8.36 4.28 0.00 2.62 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.57 4.22 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.23 0.00 92 S 8.27 4.67 0.00 3.95 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 93 L 7.44 4.63 0.00 1.87 1.87 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 94 R 7.93 3.89 0.00 1.86 2.02 0.00 3.13 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.65 0.00 95 S 8.18 4.08 0.00 3.88 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 7.96 4.08 0.00 1.99 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 0.00 2.33 2.49 0.00 97 L 7.72 3.97 0.00 1.75 1.55 0.82 0.70 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 98 R 8.80 3.85 0.00 1.87 2.17 0.00 3.13 0.00 0.00 3.23 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 99 K 7.98 4.12 0.00 1.93 1.98 0.00 1.67 0.00 0.00 2.05 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.70 1.70 7.81 100 A 7.80 4.63 1.74 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 0.00 101 G 8.57 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 0.00 0.00 0.00 102 F 8.51 4.93 0.00 3.06 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 0.00 103 V 8.17 3.88 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 0.78 0.00 0.00 0.97 0.00 0.00 104 T 7.26 3.92 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 105 R 8.22 4.11 0.00 1.78 1.86 0.00 3.38 0.00 0.00 3.09 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.51 0.00 106 D 8.49 4.35 0.00 2.61 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 8.04 4.41 1.25 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 0.00 0.00 108 R 7.26 4.71 0.00 1.73 1.77 0.00 3.21 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.72 0.00 109 Q 8.47 4.53 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 110 V 8.20 3.50 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 0.81 0.00 0.00 0.93 0.00 0.00 111 E 8.49 4.36 0.00 1.94 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 2.25 2.34 0.00 112 R 8.37 4.08 0.00 1.96 1.92 0.00 3.09 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 113 K 8.54 4.15 0.00 1.74 1.76 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.46 7.81 114 K 8.31 4.62 0.00 1.89 1.68 0.00 1.61 0.00 0.00 1.94 0.00 0.00 3.03 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.46 7.81 115 V 8.05 3.64 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 0.70 0.00 0.00 0.93 0.00 0.00 116 G 9.03 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 6.88 4.38 0.00 1.82 1.80 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.18 4.50 0.00 1.71 2.03 0.00 3.30 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 119 K 8.00 4.31 0.00 1.77 1.62 0.00 1.90 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.37 7.81 120 A 8.34 4.20 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 0.00 121 R 8.55 4.54 0.00 1.70 1.91 0.00 3.35 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.71 0.00 122 R 8.08 3.84 0.00 1.84 1.89 0.00 3.17 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 123 R 8.26 4.62 0.00 1.87 1.87 0.00 3.28 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.64 0.00 124 P 0.00 4.32 0.00 2.21 2.10 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 125 Q 8.66 4.22 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 126 F 8.83 4.66 0.00 3.30 3.28 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 0.00 127 S 7.13 2.86 0.00 3.89 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 0.00 128 K 7.06 3.81 0.00 1.69 1.78 0.00 1.67 0.00 0.00 1.60 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.44 7.81 129 R 8.56 4.61 0.00 2.06 1.89 0.00 3.40 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00