NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8669 8.0549 114.0403 61.5800 32.8429 175.2972 2 H 4.5837 8.3569 119.7745 53.9264 28.2573 172.4423 3 L 4.7945 8.6827 124.9043 52.9251 44.6656 177.2847 4 T 4.1610 9.0633 119.6189 63.0078 70.6024 173.5561 5 P 4.5324 0.0000 0.0000 64.3540 31.8652 177.2819 6 E 4.2237 7.9118 117.8759 58.1786 29.8342 178.1568 7 E 3.9122 7.8731 118.8644 59.2887 29.7901 179.1950 8 K 4.1161 8.3155 119.4248 59.9052 32.5138 179.2211 9 S 4.1290 7.8918 115.3103 61.1009 62.8055 176.4289 10 A 3.9754 8.0458 124.4911 54.8527 18.0616 179.4452 11 V 3.2251 8.1307 117.0979 66.6425 31.1644 178.3087 12 T 3.9426 7.7920 114.4530 66.5485 68.0826 176.4883 13 A 4.0741 7.9033 121.6388 55.1105 18.7663 179.2402 14 L 3.8715 7.8092 118.8637 58.0465 42.1569 178.7620 15 W 4.5923 8.8457 128.5655 60.4299 30.2583 177.9565 16 G 3.6767 7.8106 103.3675 46.8259 0.0000 174.3434 17 K 4.3849 8.0843 118.5872 56.5078 32.8573 177.1490 18 V 3.7801 6.7908 113.1564 60.5079 32.3677 176.3808 19 N 4.5258 8.1106 121.7921 52.3109 38.9115 175.7932 20 V 3.5033 8.0475 128.5289 65.7936 31.5567 177.1557 21 D 4.3658 8.1751 118.4963 57.3950 40.6770 178.2636 22 E 4.1211 8.0072 116.3138 58.2351 29.9522 178.7045 23 V 3.6786 8.0793 120.2568 65.3937 31.5221 178.1013 24 G 3.7189 8.3974 106.0081 47.9159 0.0000 175.9187 25 G 3.6215 7.7741 108.8074 47.1900 0.0000 175.4383 26 E 3.8747 8.0014 121.2744 59.0055 29.7334 178.8114 27 A 3.9236 8.3168 121.2917 54.9650 18.6001 179.3870 28 L 3.9698 8.1501 119.1499 58.1462 42.1930 179.3641 29 G 3.5707 8.0038 105.6443 48.0408 0.0000 175.8800 30 R 3.8835 8.0835 120.9439 58.5005 30.0015 178.8777 31 L 3.9993 7.9354 120.2268 58.3677 42.1581 179.2088 32 L 4.0676 7.6955 119.7248 56.8774 41.2086 179.8029 33 V 3.4712 7.2721 117.6552 65.9466 31.6866 178.0216 34 V 3.5115 7.5311 116.6003 64.1221 32.7632 175.5619 35 Y 3.6428 7.1683 116.0207 53.9496 37.8444 174.0581 36 P 4.8694 0.0000 0.0000 64.6904 31.6714 178.4818 37 W 4.2972 7.9223 116.2465 59.2620 27.9667 177.9246 38 T 4.2751 7.7633 110.8325 64.1946 68.2479 176.0830 39 Q 4.4733 8.3346 121.4633 57.8705 28.4426 178.0125 40 R 4.0241 7.6042 117.0578 58.9175 29.1442 177.7589 41 F 4.3480 7.1702 114.6430 57.1590 39.7186 175.6923 42 F 4.7238 8.2070 119.0030 56.7590 39.7191 177.3846 43 E 4.0785 8.4149 122.5266 59.4775 29.5506 179.2058 44 S 4.6065 8.1015 110.6370 59.4452 63.5043 174.6840 45 F 4.4243 8.4589 119.7840 58.4281 39.9858 176.9955 46 G 4.0057 7.6063 105.8638 44.5919 0.0000 174.2981 47 D 4.4742 8.5833 125.0604 54.4991 40.1326 175.8981 48 L 4.8723 8.3999 124.5922 54.5498 43.7475 178.4158 49 S 4.3571 8.0556 115.6991 60.5295 63.4139 174.6926 50 T 4.7244 7.3031 108.9173 58.3339 72.9897 172.6936 51 P 4.2147 0.0000 0.0000 66.2532 31.3689 178.7341 52 D 4.4382 8.0595 116.6025 56.9039 40.5900 178.5228 53 A 3.9940 7.1989 120.8790 55.0772 18.5198 179.5892 54 V 3.6486 8.3194 117.1380 66.4986 31.4923 178.1360 55 M 3.9734 8.3783 118.1803 58.0580 31.9309 177.8503 56 G 3.8360 7.8484 104.6468 45.5011 0.0000 173.7808 57 N 4.4026 7.7268 120.7782 52.7528 39.9182 173.7316 58 P 4.2627 0.0000 0.0000 65.6975 31.3169 178.6756 59 K 3.7140 8.4570 118.9714 58.7671 31.8246 179.4119 60 V 3.7555 7.8213 118.0565 65.9782 31.4802 177.9139 61 K 3.8747 8.3348 118.3334 59.6666 31.9873 179.2504 62 A 4.0011 8.1177 120.8559 55.2672 18.2394 179.2410 63 H 4.4043 8.7134 117.3576 59.3208 30.0431 177.5171 64 G 3.7689 8.3836 107.7885 48.0315 0.0000 175.6391 65 K 4.0436 7.8617 120.7157 59.1665 32.0167 179.6268 66 K 4.0705 7.6295 118.1570 59.1906 32.0181 179.5935 67 V 3.6233 7.8065 118.5378 66.1029 31.4357 177.9555 68 L 4.3533 8.2713 120.2128 57.9257 42.0065 179.0190 69 G 3.6733 8.3713 105.7910 47.7609 0.0000 175.5768 70 A 4.1270 8.2351 123.3354 54.8142 18.5857 179.4596 71 F 4.1099 8.7694 119.6788 61.5408 39.2818 177.0354 72 S 4.1502 8.9411 112.3025 61.7923 62.4893 175.4889 73 D 4.5432 8.2301 120.1596 57.1876 40.8928 178.3955 74 G 3.5253 7.8306 106.3283 47.5268 0.0000 175.5685 75 L 3.7121 7.2308 119.8802 57.3601 41.6251 178.6115 76 A 4.1903 7.4900 118.0454 52.8911 19.3107 176.7400 77 H 4.8909 8.5257 115.5224 54.3869 29.8165 175.4082 78 L 4.0183 8.1062 120.5300 57.6804 41.7818 178.5335 79 D 4.5825 7.8950 115.2729 54.0891 40.7985 176.1175 80 N 4.9738 8.4879 119.5811 51.6617 39.6207 175.1347 81 L 4.0338 7.9040 122.5586 57.8933 42.1595 179.2218 82 K 4.0119 8.1108 118.0409 59.7513 31.8681 179.5150 83 G 3.6106 7.9313 103.9426 47.8037 0.0000 175.3480 84 T 3.7562 7.3953 116.8274 66.1593 68.6554 175.8274 85 F 4.7153 7.8800 117.0101 57.1186 39.1894 177.5076 86 A 4.0914 7.6019 123.3617 55.7465 18.1567 180.5090 87 T 3.9290 7.8580 107.5959 64.8616 68.9750 176.5600 88 L 4.1079 7.9580 121.3579 57.2062 41.7430 179.1617 89 S 4.4777 8.3245 115.0825 61.0077 62.4430 175.9909 90 E 3.8616 8.2425 121.2190 59.2366 29.2207 178.9180 91 L 3.8988 8.1334 120.4934 58.8395 42.0778 178.9525 92 H 4.1901 8.4489 115.7575 59.3793 28.5991 176.3881 93 C 3.4499 7.8511 121.3636 61.3900 30.9513 175.0253 94 D 4.4000 8.1352 122.8276 56.5117 40.8291 177.4453 95 K 4.2931 7.9603 118.3259 56.6169 34.0891 176.5400 96 L 4.2984 7.7043 116.1347 54.1520 42.9474 175.6332 97 H 4.2148 7.6890 113.6769 55.5997 25.9480 175.1216 98 V 3.8987 7.9676 118.4564 61.1764 32.4570 174.7678 99 D 4.3672 8.7449 127.3353 53.6103 41.5713 174.8946 100 P 2.9700 0.0000 0.0000 65.1216 31.1286 177.9138 101 E 3.8113 7.9368 117.5691 59.1263 29.3704 178.5721 102 N 4.3548 7.9953 116.9680 56.0479 38.4678 177.3103 103 F 4.5262 7.7143 119.6714 60.7044 39.1134 177.9575 104 R 4.0102 7.9497 117.2838 58.9916 29.9827 178.8271 105 L 3.7880 7.8335 118.8697 57.6957 41.6447 179.2997 106 L 4.0525 8.0872 120.2653 58.0183 41.9374 178.9089 107 G 3.7929 8.1074 105.6933 48.1582 0.0000 175.2485 108 N 4.3936 8.0567 118.8542 56.0168 38.5929 177.7583 109 V 3.6233 7.8188 119.5752 65.6895 31.4821 177.7853 110 L 3.8343 8.4692 120.4645 58.1146 41.9634 178.9039 111 V 3.5628 8.0355 118.4666 66.5686 31.5219 177.8776 112 C 4.1877 8.2794 116.0975 62.5441 27.9869 176.3176 113 V 3.5423 7.7554 120.2703 65.6607 31.0542 178.0997 114 L 3.7760 7.9283 118.8963 57.5073 41.3187 179.0732 115 A 3.7349 7.1351 120.5275 55.5418 18.1324 178.8059 116 H 3.8983 7.6850 115.0107 59.9607 29.8390 176.3581 117 H 3.8449 7.5353 118.0281 58.5950 30.0983 176.5836 118 F 4.6414 8.6491 118.7064 56.9851 39.6538 177.2275 119 G 3.7586 9.2759 108.3681 45.8804 0.0000 175.8678 120 K 3.8726 9.1554 122.7251 59.4589 31.8958 177.1985 121 E 4.0882 8.0452 117.9032 58.7880 29.7260 177.0217 122 F 4.6686 8.4706 122.6833 56.9368 37.9375 174.9391 123 T 4.2571 7.6263 114.9686 59.8149 70.4818 174.8069 124 P 4.1611 0.0000 0.0000 65.7692 30.8072 177.1667 125 P 4.2676 0.0000 0.0000 65.2333 31.2425 178.9806 126 V 3.5499 8.2384 117.8696 65.7292 31.3262 177.8377 127 Q 3.4150 7.4096 118.5270 59.1062 28.8210 177.8167 128 A 3.7619 7.9084 121.4804 55.2171 18.2876 179.5794 129 A 3.9313 7.6870 118.1448 55.5807 18.5900 179.5420 130 Y 3.9831 8.0363 115.3319 61.1722 38.0042 178.4938 131 Q 4.1837 9.1355 119.9027 59.0049 28.8299 179.3047 132 K 3.9385 7.7493 119.2955 59.4438 32.1544 179.3307 133 V 3.4995 7.7751 118.3003 66.3727 31.5236 178.4999 134 V 3.9133 8.6087 112.0495 64.3993 31.4145 178.5542 135 A 4.1662 8.1682 120.7675 54.8995 18.1839 179.9279 136 G 3.4941 8.1467 104.4334 47.8092 0.0000 176.2083 137 V 3.2687 7.8304 120.4400 65.5324 31.4625 177.9024 138 A 3.9742 7.8366 120.4251 55.3734 18.0832 179.4505 139 N 4.3147 8.1344 114.5546 56.2781 38.4182 177.6056 140 A 4.0073 8.0980 121.6686 55.2486 18.5799 179.5110 141 L 3.9455 8.2847 117.4575 57.0917 41.6163 178.7846 142 A 4.2961 7.7757 119.3619 52.9192 18.8292 178.4165 143 H 4.0989 7.8227 117.2906 59.3671 29.8238 176.0063 144 K 4.4103 8.2947 115.0825 56.4755 32.0493 176.6240 145 Y 4.2617 7.9885 117.6573 58.3135 38.5191 175.4886 146 H 4.4618 8.2974 117.1754 56.2024 28.2772 173.3216 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 V 8.05 3.87 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 0.83 0.00 0.00 0.85 0.00 0.00 2 H 8.36 4.58 0.00 3.19 3.22 0.00 5.68 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.68 4.79 0.00 1.55 1.52 0.84 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 4 T 9.06 4.16 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 1.23 0.00 0.00 5 P 0.00 4.53 0.00 2.24 2.27 0.00 3.66 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 2.01 2.02 0.00 6 E 7.91 4.22 0.00 2.06 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 2.35 2.44 0.00 7 E 7.87 3.91 0.00 2.12 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 2.35 2.33 0.00 8 K 8.32 4.12 0.00 1.89 2.00 0.00 1.27 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.41 7.81 9 S 7.89 4.13 0.00 4.10 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 0.00 10 A 8.05 3.98 1.43 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 0.00 0.00 0.00 11 V 8.13 3.23 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 0.65 0.00 0.00 0.61 0.00 0.00 12 T 7.79 3.94 4.53 0.00 0.00 0.00 0.00 0.00 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 13 A 7.90 4.07 1.40 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 0.00 0.00 14 L 7.81 3.87 0.00 1.72 2.11 0.50 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.85 4.59 0.00 3.84 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 16 G 7.81 3.68 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 0.00 0.00 0.00 17 K 8.08 4.38 0.00 1.86 2.00 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.52 7.81 18 V 6.79 3.78 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 0.35 0.00 0.00 -0.33 0.00 0.00 19 N 8.11 4.53 0.00 2.68 2.63 0.00 0.00 6.75 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 20 V 8.05 3.50 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 1.24 0.00 0.00 0.99 0.00 0.00 21 D 8.18 4.37 0.00 2.97 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 22 E 8.01 4.12 0.00 2.17 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 2.19 2.25 0.00 23 V 8.08 3.68 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 0.95 0.00 0.00 0.71 0.00 0.00 24 G 8.40 3.72 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 0.00 25 G 7.77 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 26 E 8.00 3.87 0.00 2.13 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 2.25 2.31 0.00 27 A 8.32 3.92 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 28 L 8.15 3.97 0.00 1.76 1.65 0.92 0.96 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 29 G 8.00 3.57 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 0.00 0.00 0.00 30 R 8.08 3.88 0.00 1.93 1.92 0.00 3.06 0.00 0.00 3.00 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 31 L 7.94 4.00 0.00 1.90 1.86 1.04 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.70 4.07 0.00 1.97 1.64 0.89 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.27 3.47 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 0.69 0.00 0.00 0.92 0.00 0.00 34 V 7.53 3.51 1.70 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 -0.03 0.00 0.00 0.71 0.00 0.00 35 Y 7.17 3.64 0.00 2.64 1.43 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 0.00 36 P 0.00 4.87 0.00 2.31 2.29 0.00 3.56 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.86 0.00 37 W 7.92 4.30 0.00 3.56 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.76 4.28 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 1.10 0.00 0.00 39 Q 8.33 4.47 0.00 2.26 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.76 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 40 R 7.60 4.02 0.00 1.62 1.95 0.00 3.08 0.00 0.00 2.77 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 41 F 7.17 4.35 0.00 1.72 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 42 F 8.21 4.72 0.00 2.78 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 0.00 0.00 0.00 43 E 8.41 4.08 0.00 2.07 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 2.39 2.29 0.00 44 S 8.10 4.61 0.00 4.11 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 45 F 8.46 4.42 0.00 3.37 3.21 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 46 G 7.61 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 47 D 8.58 4.47 0.00 2.65 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 48 L 8.40 4.87 0.00 1.72 1.58 1.08 0.92 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 49 S 8.06 4.36 0.00 3.98 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 50 T 7.30 4.72 4.23 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 1.20 0.00 0.00 51 P 0.00 4.21 0.00 2.14 2.11 0.00 3.57 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 2.08 2.15 0.00 52 D 8.06 4.44 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 53 A 7.20 3.99 1.40 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 0.00 0.00 54 V 8.32 3.65 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 1.03 0.00 0.00 0.95 0.00 0.00 55 M 8.38 3.97 0.00 1.98 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.85 0.00 56 G 7.85 3.84 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 0.00 0.00 0.00 57 N 7.73 4.40 0.00 3.00 2.92 0.00 0.00 6.87 7.58 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 58 P 0.00 4.26 0.00 2.24 2.26 0.00 3.71 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 2.01 2.02 0.00 59 K 8.46 3.71 0.00 1.20 0.74 0.00 1.37 0.00 0.00 1.42 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.50 7.81 60 V 7.82 3.76 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 1.14 0.00 0.00 1.03 0.00 0.00 61 K 8.33 3.87 0.00 1.92 1.83 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.64 7.81 62 A 8.12 4.00 1.31 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 0.00 0.00 63 H 8.71 4.40 0.00 3.71 3.57 0.00 5.80 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 64 G 8.38 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 65 K 7.86 4.04 0.00 2.01 1.91 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.59 7.81 66 K 7.63 4.07 0.00 2.04 1.91 0.00 1.74 0.00 0.00 1.64 0.00 0.00 3.09 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.51 1.69 7.81 67 V 7.81 3.62 2.10 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 1.10 0.00 0.00 0.95 0.00 0.00 68 L 8.27 4.35 0.00 2.05 1.79 1.39 0.99 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 69 G 8.37 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 70 A 8.24 4.13 1.61 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 0.00 0.00 71 F 8.77 4.11 0.00 3.20 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 72 S 8.94 4.15 0.00 4.51 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 0.00 73 D 8.23 4.54 0.00 2.87 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 74 G 7.83 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.23 3.71 0.00 1.66 1.45 -0.37 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.49 4.19 1.14 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 77 H 8.53 4.89 0.00 2.96 3.12 0.00 5.64 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.11 4.02 0.00 1.54 1.68 0.75 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.90 4.58 0.00 2.74 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 80 N 8.49 4.97 0.00 2.64 2.63 0.00 0.00 7.11 6.78 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 81 L 7.90 4.03 0.00 1.73 1.81 0.82 1.09 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 82 K 8.11 4.01 0.00 1.72 1.72 0.00 1.54 0.00 0.00 1.40 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.44 7.81 83 G 7.93 3.61 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 0.00 0.00 0.00 84 T 7.40 3.76 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 0.42 0.00 0.00 85 F 7.88 4.72 0.00 3.18 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 86 A 7.60 4.09 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 87 T 7.86 3.93 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 1.21 0.00 0.00 88 L 7.96 4.11 0.00 2.04 1.89 1.12 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.32 4.48 0.00 4.21 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 90 E 8.24 3.86 0.00 2.18 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 2.34 2.61 0.00 91 L 8.13 3.90 0.00 1.86 1.89 0.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.45 4.19 0.00 3.60 3.79 0.00 5.86 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.85 3.45 0.00 1.56 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 94 D 8.14 4.40 0.00 2.90 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 95 K 7.96 4.29 0.00 1.64 1.76 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.31 1.48 7.81 96 L 7.70 4.30 0.00 1.57 1.60 0.71 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.69 4.21 0.00 3.40 3.42 0.00 5.74 0.00 0.00 0.00 0.00 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.97 3.90 2.10 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 0.18 0.00 0.00 0.47 0.00 0.00 99 D 8.74 4.37 0.00 2.85 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 0.00 100 P 0.00 2.97 0.00 1.86 1.67 0.00 3.38 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.44 0.00 101 E 7.94 3.81 0.00 1.98 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 2.30 2.41 0.00 102 N 8.00 4.35 0.00 2.58 2.74 0.00 0.00 6.85 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 0.00 103 F 7.71 4.53 0.00 3.08 2.89 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 0.00 104 R 7.95 4.01 0.00 1.96 1.97 0.00 3.27 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 105 L 7.83 3.79 0.00 1.75 1.44 0.64 -0.42 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 0.00 106 L 8.09 4.05 0.00 1.89 1.87 0.93 1.00 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 0.00 107 G 8.11 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 0.00 108 N 8.06 4.39 0.00 2.98 2.95 0.00 0.00 6.73 7.17 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 0.00 109 V 7.82 3.62 2.23 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 1.04 0.00 0.00 1.14 0.00 0.00 110 L 8.47 3.83 0.00 1.68 1.78 0.87 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.04 3.56 2.31 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 1.25 0.00 0.00 1.16 0.00 0.00 112 C 8.28 4.19 0.00 3.12 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 0.00 113 V 7.76 3.54 2.13 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 0.94 0.00 0.00 0.89 0.00 0.00 114 L 7.93 3.78 0.00 0.93 0.96 0.50 1.02 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 0.00 115 A 7.14 3.73 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 0.00 116 H 7.68 3.90 0.00 3.22 3.48 0.00 5.77 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.54 3.84 0.00 3.00 2.44 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.65 4.64 0.00 3.33 3.17 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 0.00 119 G 9.28 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 0.00 120 K 9.16 3.87 0.00 1.77 1.94 0.00 1.82 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.51 7.81 121 E 8.05 4.09 0.00 2.22 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 0.00 2.38 2.33 0.00 122 F 8.47 4.67 0.00 3.06 3.17 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 0.00 123 T 7.63 4.26 4.23 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 1.29 0.00 0.00 124 P 0.00 4.16 0.00 2.16 2.17 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.23 0.00 125 P 0.00 4.27 0.00 2.12 2.06 0.00 3.55 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 2.09 2.11 0.00 126 V 8.24 3.55 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 1.01 0.00 0.00 0.91 0.00 0.00 127 Q 7.41 3.41 0.00 1.71 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.62 0.00 0.00 0.00 0.00 0.00 2.46 2.60 0.00 128 A 7.91 3.76 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 A 7.69 3.93 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 0.00 130 Y 8.04 3.98 0.00 3.35 3.26 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 0.00 131 Q 9.14 4.18 0.00 2.22 2.23 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 2.77 2.63 0.00 132 K 7.75 3.94 0.00 2.00 1.82 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.60 7.81 133 V 7.78 3.50 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 0.91 0.00 0.00 0.79 0.00 0.00 134 V 8.61 3.91 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 1.08 0.00 0.00 1.15 0.00 0.00 135 A 8.17 4.17 1.40 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 0.00 0.00 136 G 8.15 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 0.00 0.00 0.00 137 V 7.83 3.27 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 0.49 0.00 0.00 0.58 0.00 0.00 138 A 7.84 3.97 1.46 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 0.00 0.00 0.00 139 N 8.13 4.31 0.00 2.94 2.87 0.00 0.00 6.93 7.13 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 0.00 140 A 8.10 4.01 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 0.00 141 L 8.28 3.95 0.00 1.18 0.51 -0.20 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.78 4.30 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 0.00 143 H 7.82 4.10 0.00 3.20 3.52 0.00 5.77 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.29 4.41 0.00 1.86 1.84 0.00 1.77 0.00 0.00 1.60 0.00 0.00 3.33 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.77 7.81 145 Y 7.99 4.26 0.00 3.15 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 0.00 146 H 8.30 4.46 0.00 3.22 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00