NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 D 4.6405 8.3649 120.5372 53.5621 42.7646 175.3074 2 I 3.6357 7.8194 120.2247 61.1917 37.4695 173.3064 3 Q 4.5462 9.5106 125.3457 54.7900 33.1877 174.1962 4 M 4.6745 8.6520 126.3137 54.3077 31.3514 175.1387 5 T 4.4419 9.1746 113.8103 60.4207 68.6916 173.9536 6 Q 5.2501 9.3162 131.8951 55.5604 32.4171 173.7856 7 S 4.9881 8.8430 116.7747 56.8898 66.5082 172.4999 8 P 4.9064 0.0000 0.0000 62.6700 32.3124 174.6732 9 S 4.5210 8.1733 109.3444 60.5711 63.3647 175.5102 10 S 5.0618 7.7457 117.6818 56.7341 64.8839 174.5803 11 L 4.7041 7.8736 118.7775 53.4950 42.9299 175.4892 12 S 4.2941 8.1330 114.8760 59.1613 63.4931 173.0335 13 A 4.4655 7.8664 125.5732 51.8763 21.7673 175.0203 14 S 4.7645 8.4899 113.1337 56.0935 65.6620 174.2848 15 V 3.4403 8.3190 120.5663 65.1020 31.3473 175.8079 16 G 4.1070 8.8074 113.7993 45.1814 0.0000 173.6098 17 D 4.7884 7.5428 118.3543 53.6189 42.0295 177.1040 18 R 4.9154 7.9793 122.7673 54.7730 28.3011 174.7233 19 V 3.7705 7.5031 120.7700 62.6944 33.1530 174.4080 20 T 4.6879 8.4757 124.5954 61.8262 70.5496 173.7082 21 I 4.6512 8.0042 126.0293 59.6095 40.1650 174.6669 22 T 5.1627 8.6194 116.9790 60.2032 71.7173 172.6889 23 C 5.4190 8.8569 119.4590 55.7475 41.1163 173.4638 24 R 5.0134 8.4262 119.3772 54.8953 33.5674 174.9733 25 A 4.6952 9.9872 127.1338 51.6247 19.3719 177.1996 26 S 4.6385 8.1061 113.1016 59.0420 63.9571 173.8421 27 Q 4.4016 7.7439 116.9972 54.2854 30.9710 173.5506 28 S 3.9759 8.8269 111.9108 58.2966 62.9162 174.3287 29 I 3.0770 8.2791 124.0813 63.1055 37.0398 177.9103 30 S 3.7219 5.8100 120.3266 58.0928 64.5039 173.6373 31 S 4.7240 7.9159 113.1138 57.1860 65.8633 176.7096 32 Y 4.3407 7.6204 118.5973 58.8610 35.7792 175.5400 33 L 4.6872 7.3365 121.8905 53.4215 44.7944 175.3315 34 N 5.1131 9.8584 123.6572 51.2026 41.5671 173.6018 35 W 5.1649 9.0621 122.8675 55.3341 32.3261 174.6976 36 Y 5.3903 9.6306 121.7109 55.4468 40.6363 173.3037 37 Q 4.5157 8.7217 125.9980 55.5440 31.0755 174.0179 38 Q 4.7075 9.5575 128.5378 54.0669 31.4493 174.4722 39 K 4.5314 8.5557 126.4024 55.4057 32.9375 175.4798 40 P 4.4045 0.0000 0.0000 63.2962 32.4428 177.4895 41 G 4.0551 8.7094 107.7709 45.7868 0.0000 174.0328 42 K 4.4849 6.7337 115.7065 55.5579 30.8822 179.0223 43 A 4.3902 8.2254 127.6372 51.5347 21.3210 174.1398 44 P 4.9470 0.0000 0.0000 61.9034 33.3106 175.2929 45 K 4.6564 8.5790 120.9126 54.3798 35.2541 175.6626 46 L 3.2602 8.5683 125.8631 55.7940 40.8794 176.4795 47 L 3.8733 8.9620 126.6690 55.5611 41.6902 177.0880 48 I 5.0732 8.0495 119.9903 60.7680 40.8218 174.5539 49 Y 4.9325 9.0173 119.7402 56.8597 40.9918 174.1033 50 A 3.3623 9.2221 118.7487 52.5627 16.4539 178.8553 51 A 4.0328 8.0625 125.4856 53.1143 18.2904 179.4342 52 S 5.2301 7.7283 105.6216 58.9942 65.0916 175.0581 53 S 4.2766 7.6105 115.5869 57.4770 63.4502 172.9811 54 L 4.7595 8.0043 120.7174 53.4485 43.4633 176.3162 55 Q 4.3733 8.3319 120.0073 55.7059 29.9240 176.1630 56 S 4.2842 8.4345 116.9693 59.8199 63.0150 175.3160 57 G 3.9796 9.4522 113.8752 44.8551 0.0000 173.1238 58 V 4.1667 7.2785 119.0309 59.3486 32.8850 174.0126 59 P 4.3325 0.0000 0.0000 62.2132 30.7428 175.1839 60 S 4.6915 8.4564 111.0289 59.2012 64.5486 176.1833 61 R 3.9720 7.7937 117.5996 58.5366 30.2434 176.3453 62 F 5.0154 7.3278 119.3890 56.5807 40.0346 175.8492 63 S 4.5488 8.5760 118.9878 57.0327 66.4132 174.2620 64 G 4.7130 9.0806 111.7510 45.6640 0.0000 172.0312 65 S 4.9546 9.0308 114.2005 58.0708 66.6977 174.4501 66 G 4.6454 8.7137 106.4476 43.9839 0.0000 173.8262 67 S 4.7188 8.0075 114.3776 58.2367 65.4729 172.5415 68 G 4.0947 9.2944 121.7731 43.4970 0.0000 174.4606 69 T 4.1267 7.4693 112.1188 63.4149 72.7364 173.7214 70 D 4.8535 7.4671 120.6087 52.9520 43.4628 175.6689 71 F 5.3287 8.8244 122.8630 57.4990 44.4312 173.1136 72 T 4.6044 9.2982 113.7372 63.2791 73.2303 173.4258 73 L 4.3167 8.9563 129.0318 54.3848 44.5740 176.0558 74 T 4.4694 7.6556 119.2198 62.6684 71.9851 172.5023 75 I 3.8832 7.9887 128.2957 61.0053 37.4365 177.2570 76 S 4.2219 8.5689 124.6789 60.5073 63.4933 174.6038 77 S 5.3373 7.5870 112.1574 55.5480 66.3620 172.3745 78 L 4.7958 8.1655 124.4647 53.6333 46.0251 174.7873 79 Q 4.8600 8.1495 119.6715 54.0276 33.0984 174.4489 80 P 4.4658 0.0000 0.0000 64.7759 31.5951 176.9355 81 E 4.6647 8.1911 114.9414 56.1915 29.9097 176.2004 82 D 4.7715 9.2375 122.0873 56.8488 42.3926 177.9208 83 F 3.9422 7.1048 122.7333 56.5126 37.3381 174.2126 84 A 4.8447 8.8226 124.2292 50.2129 23.6850 176.9294 85 T 4.4114 8.4253 116.9366 63.8771 69.8777 173.2572 86 Y 5.1220 8.9967 124.8752 56.8760 39.9695 175.0103 87 Y 5.4899 9.7173 122.8099 56.6819 41.5841 171.8874 88 C 5.7312 8.4592 113.9375 53.2461 44.0808 172.1549 89 Q 5.3209 7.9571 117.0099 55.9328 32.1999 172.7428 90 Q 5.5543 8.1473 122.4853 53.5682 30.1488 175.6247 91 S 4.4147 8.7917 116.9875 59.9275 62.2366 174.5128 92 Y 4.0019 8.5785 120.7108 60.3879 38.9218 175.4903 93 S 4.8057 7.9759 112.5784 56.4187 66.4086 172.3367 94 T 4.9867 8.0824 110.4659 58.7929 70.7233 172.4835 95 P 4.2290 0.0000 0.0000 63.0756 31.8095 175.8238 96 N 5.4758 9.1827 120.2305 53.7384 38.8976 174.4566 97 T 4.8440 9.2346 114.1125 60.0438 72.1148 173.2134 98 F 5.1837 8.6867 120.3345 55.3641 42.0978 175.5725 99 G 4.6264 9.2365 109.8749 45.6660 0.0000 173.5789 100 Q 4.0991 8.7261 116.8469 56.6392 29.0575 177.2359 101 G 3.4997 7.9835 103.7139 45.7191 0.0000 173.5016 102 T 5.4340 8.2020 115.6071 60.2062 70.0400 173.4421 103 K 4.6191 8.4318 125.4193 56.1757 33.8088 175.9011 104 V 4.6675 7.9476 122.5817 61.2026 34.0937 175.2737 105 E 4.0008 8.8392 126.7036 56.2374 30.8090 176.9072 106 I 3.9316 6.9806 120.7198 61.8689 38.1949 175.0374 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 D 8.36 4.64 0.00 2.69 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 2 I 7.82 3.64 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.18 0.91 0.00 0.00 3 Q 9.51 4.55 0.00 2.16 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.84 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 M 8.65 4.67 0.00 1.92 2.10 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 5 T 9.17 4.44 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 1.22 0.00 0.00 6 Q 9.32 5.25 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 7 S 8.84 4.99 0.00 3.94 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 P 0.00 4.91 0.00 2.30 2.10 0.00 3.54 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 2.12 2.08 0.00 9 S 8.17 4.52 0.00 3.93 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 10 S 7.75 5.06 0.00 3.80 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 11 L 7.87 4.70 0.00 1.51 1.58 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.13 4.29 0.00 3.88 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 13 A 7.87 4.47 1.15 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 14 S 8.49 4.76 0.00 3.82 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 15 V 8.32 3.44 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 0.77 0.00 0.00 0.91 0.00 0.00 16 G 8.81 4.11 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 0.00 0.00 0.00 17 D 7.54 4.79 0.00 2.63 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 18 R 7.98 4.92 0.00 1.80 1.81 0.00 3.01 0.00 0.00 3.76 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.50 0.00 19 V 7.50 3.77 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 0.88 0.00 0.00 0.89 0.00 0.00 20 T 8.48 4.69 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 1.23 0.00 0.00 21 I 8.00 4.65 1.77 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 1.30 0.78 1.09 0.00 0.00 22 T 8.62 5.16 4.59 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 1.26 0.00 0.00 23 C 8.86 5.42 0.00 3.06 3.04 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 24 R 8.43 5.01 0.00 1.92 1.79 0.00 3.53 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 25 A 9.99 4.70 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 26 S 8.11 4.64 0.00 3.76 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 27 Q 7.74 4.40 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.92 0.00 0.00 0.00 0.00 0.00 2.19 2.29 0.00 28 S 8.83 3.98 0.00 3.81 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 29 I 8.28 3.08 1.59 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 1.24 1.10 0.73 0.00 0.00 30 S 5.81 3.72 0.00 4.00 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 31 S 7.92 4.72 0.00 4.05 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 32 Y 7.62 4.34 0.00 3.29 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.34 4.69 0.00 0.84 0.98 0.71 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.86 5.11 0.00 2.69 2.30 0.00 0.00 6.43 7.55 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 35 W 9.06 5.16 0.00 3.33 3.03 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 36 Y 9.63 5.39 0.00 3.30 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.72 4.52 0.00 2.31 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.84 0.00 0.00 0.00 0.00 0.00 2.32 1.95 0.00 38 Q 9.56 4.71 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 39 K 8.56 4.53 0.00 1.64 1.67 0.00 2.00 0.00 0.00 1.77 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.41 7.81 40 P 0.00 4.40 0.00 2.20 2.11 0.00 3.34 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.96 0.00 41 G 8.71 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 0.00 0.00 0.00 42 K 6.73 4.48 0.00 1.86 0.85 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.47 7.81 43 A 8.23 4.39 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 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.95 0.00 2.01 1.92 0.00 3.32 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 45 K 8.58 4.66 0.00 1.72 1.70 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.75 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.34 7.81 46 L 8.57 3.26 0.00 1.44 1.25 -0.05 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.96 3.87 0.00 1.86 1.44 0.14 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.05 5.07 2.07 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 1.67 0.70 1.24 0.00 0.00 49 Y 9.02 4.93 0.00 3.03 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 50 A 9.22 3.36 1.04 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 51 A 8.06 4.03 1.16 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 52 S 7.73 5.23 0.00 3.99 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 S 7.61 4.28 0.00 3.97 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 54 L 8.00 4.76 0.00 1.62 1.71 1.01 1.22 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 55 Q 8.33 4.37 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.86 0.00 0.00 0.00 0.00 0.00 2.20 2.30 0.00 56 S 8.43 4.28 0.00 3.76 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.45 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 58 V 7.28 4.17 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 0.76 0.00 0.00 0.89 0.00 0.00 59 P 0.00 4.33 0.00 2.42 2.21 0.00 3.81 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 60 S 8.46 4.69 0.00 3.98 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 61 R 7.79 3.97 0.00 1.73 2.03 0.00 2.93 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 1.23 0.00 62 F 7.33 5.02 0.00 3.02 2.86 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 63 S 8.58 4.55 0.00 3.80 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 64 G 9.08 4.71 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 65 S 9.03 4.95 0.00 3.92 3.98 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 0.00 0.00 0.00 66 G 8.71 4.65 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 0.00 67 S 8.01 4.72 0.00 3.85 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 68 G 9.29 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 69 T 7.47 4.13 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 1.15 0.00 0.00 70 D 7.47 4.85 0.00 2.60 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 0.00 0.00 0.00 0.00 71 F 8.82 5.33 0.00 3.12 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 72 T 9.30 4.60 4.46 0.00 0.00 0.00 0.00 0.00 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 73 L 8.96 4.32 0.00 0.27 0.88 0.21 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 74 T 7.66 4.47 4.25 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 1.13 0.00 0.00 75 I 7.99 3.88 1.64 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.25 0.39 0.00 0.00 76 S 8.57 4.22 0.00 3.63 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.59 5.34 0.00 3.74 3.51 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 78 L 8.17 4.80 0.00 1.91 1.47 0.89 0.47 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 79 Q 8.15 4.86 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 80 P 0.00 4.47 0.00 2.09 2.16 0.00 3.69 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 2.05 2.09 0.00 81 E 8.19 4.66 0.00 2.13 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 2.29 2.31 0.00 82 D 9.24 4.77 0.00 3.04 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 83 F 7.10 3.94 0.00 3.20 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 84 A 8.82 4.84 0.95 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 0.00 0.00 85 T 8.43 4.41 4.49 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 1.41 0.00 0.00 86 Y 9.00 5.12 0.00 3.16 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 87 Y 9.72 5.49 0.00 3.28 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 C 8.46 5.73 0.00 1.69 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 89 Q 7.96 5.32 0.00 1.26 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.89 0.00 0.00 0.00 0.00 0.00 1.90 1.16 0.00 90 Q 8.15 5.55 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.83 0.00 0.00 0.00 0.00 0.00 2.54 2.19 0.00 91 S 8.79 4.41 0.00 3.92 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 92 Y 8.58 4.00 0.00 3.05 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 93 S 7.98 4.81 0.00 4.02 4.05 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 94 T 8.08 4.99 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 1.30 0.00 0.00 95 P 0.00 4.23 0.00 2.11 2.11 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 96 N 9.18 5.48 0.00 2.72 2.94 0.00 0.00 7.14 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 97 T 9.23 4.84 4.31 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 1.29 0.00 0.00 98 F 8.69 5.18 0.00 2.95 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 9.24 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 8.73 4.10 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.71 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 101 G 7.98 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.20 5.43 4.42 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 1.35 0.00 0.00 103 K 8.43 4.62 0.00 1.80 1.82 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.58 1.47 7.81 104 V 7.95 4.67 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 0.89 0.00 0.00 1.19 0.00 0.00 105 E 8.84 4.00 0.00 1.76 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 2.28 2.30 0.00 106 I 6.98 3.93 1.00 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 1.10 0.69 0.89 0.00 0.00