NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4271 8.3349 115.4130 57.8820 64.6145 173.8771 2 K 4.1433 8.0842 119.5293 57.2543 32.8781 175.4047 3 T 4.3163 8.3684 116.6934 64.8671 71.4154 175.3519 4 N 4.3947 7.9537 120.3171 53.1062 39.8418 173.7750 5 P 4.3366 0.0000 0.0000 65.3463 31.5187 178.9392 6 R 3.8739 8.5475 117.6564 59.1919 30.0930 178.4682 7 L 3.9549 8.1364 119.5250 58.3130 42.0329 178.8474 8 S 4.0747 8.0902 112.8175 61.6611 62.2917 176.4685 9 S 4.1105 8.0998 117.7767 61.3351 62.5146 176.2301 10 L 3.8775 8.4611 123.4044 58.4065 41.6498 179.1939 11 I 3.7066 7.9257 119.3233 64.2270 36.9605 178.3075 12 A 4.0017 7.8493 121.4043 55.2094 18.2272 179.3258 13 D 4.2579 8.2811 117.6039 57.6914 40.8305 179.0894 14 L 3.9408 8.2675 119.5856 57.5166 41.4789 180.0004 15 K 4.0331 7.7181 118.6912 59.6025 32.2339 179.0055 16 S 4.0816 8.2264 113.2074 61.6975 62.0399 176.2942 17 A 4.0657 8.1595 123.0365 55.0181 18.0060 179.5070 18 A 4.2488 7.7161 118.5191 55.1559 18.4514 179.8866 19 R 4.0889 7.9936 116.1759 60.1633 30.4827 178.6497 20 S 4.1414 8.0443 114.3279 61.0548 63.1240 175.9372 21 S 4.4021 8.0344 116.4191 58.5195 63.6407 175.4361 22 G 3.9703 8.5649 108.5459 45.8594 0.0000 174.3531 23 G 3.7693 7.3925 107.5020 45.3810 0.0000 173.5460 24 A 4.5725 8.0304 121.7690 51.8328 21.5447 179.1187 25 V 3.4490 7.4011 109.1986 64.2641 31.4719 178.3852 26 W 4.9253 7.4990 118.3501 60.1252 29.0404 178.6982 27 G 3.6399 8.1709 105.0615 47.5155 0.0000 175.2620 28 D 4.3117 7.9788 120.2762 57.3419 41.3299 178.5372 29 V 3.6384 8.6356 118.9629 65.8117 31.5215 177.7560 30 A 4.0389 8.3393 120.8062 55.3563 18.0077 179.5313 31 E 4.1168 7.9338 115.7728 59.4669 29.6716 179.2266 32 R 4.0762 7.9214 118.5349 59.0805 29.9056 178.4894 33 L 3.7896 7.8234 118.2939 57.4476 41.6655 178.8913 34 E 4.1363 7.9198 117.8517 58.0250 29.6277 177.8106 35 K 4.2812 7.1047 117.4960 54.9463 33.1130 174.7540 36 P 4.0724 0.0000 0.0000 62.7592 31.8320 177.4823 37 R 3.5115 8.8317 121.9344 59.3207 30.1558 178.9612 38 R 4.0000 7.8578 113.0272 58.6185 29.6646 177.4900 39 T 4.1804 8.1602 107.9211 62.9164 69.4287 174.6683 40 H 4.2596 7.5382 119.0040 56.0535 29.4348 174.2240 41 A 4.5270 8.1108 122.3494 51.5859 20.5213 177.0265 42 E 4.8283 8.6106 118.9668 54.9542 32.1194 174.6820 43 V 4.4944 8.9284 125.0062 61.0238 34.8837 174.3197 44 N 5.8187 8.3725 122.6980 50.8190 41.3417 175.7722 45 L 4.1132 8.7440 120.3403 58.2270 41.3982 179.9630 46 G 3.7492 7.6523 104.8201 47.7689 0.0000 175.2263 47 R 4.1485 7.9260 120.0433 59.0671 30.2848 178.4407 48 I 3.7669 7.7364 119.1606 64.5260 36.9616 177.8953 49 E 3.9857 8.3856 119.1793 58.8931 29.4580 178.2887 50 R 3.9579 7.5978 117.9214 57.8025 30.2166 176.1661 51 Y 4.7115 7.5970 111.9204 57.2304 39.5731 174.9105 52 A 4.6379 7.9010 123.9917 51.1500 20.5045 176.6693 53 Q 4.6243 8.0742 115.4271 54.4719 31.4145 174.3600 54 E 4.0146 8.6633 120.0127 58.2880 29.9630 177.1520 55 D 4.4257 8.8578 119.3053 54.6074 38.5730 173.4783 56 E 4.7075 7.7237 120.1621 54.1887 31.5208 175.5483 57 T 4.1680 8.3334 125.1557 64.0586 69.8372 173.8359 58 V 4.3463 8.9275 127.6842 62.4735 33.1386 174.7057 59 V 4.7751 9.3404 128.9585 61.3484 33.3981 174.4984 60 V 4.8151 9.1289 130.0076 58.9770 32.4486 175.5594 61 P 4.5212 0.0000 0.0000 60.5385 29.6967 175.6959 62 G 4.1854 7.1646 117.6380 47.6502 0.0000 175.8994 63 K 4.9876 9.1180 126.9844 54.1278 35.9082 173.4875 64 V 4.7978 8.2616 125.1311 61.2267 33.7617 174.4785 65 L 5.0156 10.3356 126.9855 52.4084 45.0654 176.2607 66 G 4.2516 8.5208 107.2324 47.1342 0.0000 173.5856 67 S 4.6280 8.1531 116.3826 58.3433 64.8569 175.5427 68 G 3.8936 9.0812 109.9610 44.7194 0.0000 172.1431 69 V 4.3915 7.8741 116.9244 60.6081 33.9001 174.3523 70 L 4.8753 8.4619 127.4361 53.4648 44.2175 175.3700 71 Q 4.4852 10.1086 125.5171 57.0187 30.8714 176.8358 72 K 3.9158 8.2789 115.4097 57.2971 32.8153 176.7698 73 D 5.2492 8.4873 122.7392 52.3822 40.0483 175.0610 74 V 4.7381 7.7861 115.4536 59.2975 36.0652 174.3996 75 T 4.8103 8.3555 119.0230 62.3420 70.3587 173.7121 76 V 4.8816 8.8062 127.1684 61.0537 34.2340 174.1740 77 A 5.9400 9.8045 129.0318 49.4904 21.5803 174.8965 78 A 4.9884 8.3906 122.6637 49.0871 23.0261 176.8367 79 V 3.5333 8.3926 118.7669 66.1733 31.9535 175.5755 80 D 4.6849 7.2928 117.0909 53.3847 44.6729 173.8052 81 F 5.4070 8.6641 119.9701 55.2874 42.8076 175.1566 82 S 4.3424 8.9202 117.6303 58.1053 63.8001 175.6328 83 G 3.6634 8.7929 106.7946 48.1543 0.0000 176.1801 84 T 3.9206 7.8920 117.3296 66.2693 68.5169 176.3789 85 A 4.0226 8.0930 122.7153 55.4437 18.3895 179.4477 86 E 3.6885 8.1080 116.9503 59.1766 29.3346 179.2738 87 T 3.8777 7.2643 115.2605 66.4784 68.8577 176.6714 88 K 4.3885 8.2696 122.1040 58.9162 31.9787 179.5393 89 I 3.7281 8.0749 120.3169 64.5517 36.9510 178.1464 90 D 4.6189 7.4503 118.4299 56.0346 40.3023 178.3779 91 Q 4.1740 7.9288 119.4793 57.9104 28.8981 177.7124 92 V 4.5336 7.7930 110.4296 60.8999 34.7112 174.4033 93 G 4.3675 8.5810 111.3291 44.3744 0.0000 173.5401 94 E 5.1242 9.4703 126.0763 54.5150 33.2348 173.2426 95 A 4.5501 9.2620 129.7816 50.8518 19.9642 176.6481 96 V 4.5809 9.1334 122.5989 60.7804 35.4827 175.2430 97 S 4.7099 8.6973 121.3056 57.7679 63.9792 174.9710 98 L 3.8586 8.2446 124.2909 58.3494 41.7847 179.4649 99 E 3.8212 8.0266 118.2121 59.0911 29.3770 179.0511 100 Q 3.9977 7.7600 118.2563 58.5710 28.9882 178.0075 101 A 3.9975 8.0031 121.9143 55.6231 18.2170 179.6810 102 I 3.0247 7.1511 116.5793 64.1275 37.0485 177.9314 103 E 4.1285 7.2639 118.3044 58.9750 29.8243 177.7298 104 N 4.6778 8.3619 113.7447 53.9823 40.3042 175.3255 105 N 5.0109 7.9411 117.0785 52.3019 40.8111 173.1385 106 P 4.6171 0.0000 0.0000 65.5040 32.1182 177.9991 107 E 4.1266 8.5877 117.3114 56.2778 30.2543 176.0470 108 G 3.5702 8.0433 108.2027 46.2985 0.0000 173.0621 109 S 4.5642 8.0966 110.6172 57.5397 66.2644 174.1812 110 H 3.9977 8.3412 116.8215 57.4524 25.9474 174.2069 111 V 4.7964 7.2523 116.1221 59.8302 35.0898 176.5724 112 R 4.5441 9.0280 122.2985 54.5862 33.0389 174.1320 113 V 4.5062 8.4542 126.6524 62.4091 32.4359 175.0089 114 I 4.7928 8.7909 128.3897 59.4076 40.9185 176.0298 115 R 4.1719 8.3627 121.4856 56.5085 29.4082 174.7494 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 S 8.33 4.43 0.00 3.99 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 2 K 8.08 4.14 0.00 1.85 1.78 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.45 1.48 7.81 3 T 8.37 4.32 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 1.21 0.00 0.00 4 N 7.95 4.39 0.00 2.75 2.71 0.00 0.00 7.23 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 5 P 0.00 4.34 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.55 3.87 0.00 1.96 1.96 0.00 3.14 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 7 L 8.14 3.95 0.00 1.75 1.82 0.92 0.84 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 8 S 8.09 4.07 0.00 4.06 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 9 S 8.10 4.11 0.00 4.02 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 10 L 8.46 3.88 0.00 1.66 1.82 0.88 0.98 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 11 I 7.93 3.71 2.03 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 1.45 0.66 0.92 0.00 0.00 12 A 7.85 4.00 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 13 D 8.28 4.26 0.00 2.78 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 14 L 8.27 3.94 0.00 1.84 1.97 0.93 0.55 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 15 K 7.72 4.03 0.00 1.99 1.86 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.58 7.81 16 S 8.23 4.08 0.00 3.88 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 17 A 8.16 4.07 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 18 A 7.72 4.25 1.49 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 19 R 7.99 4.09 0.00 1.83 2.01 0.00 3.20 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 20 S 8.04 4.14 0.00 3.98 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 21 S 8.03 4.40 0.00 4.26 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 22 G 8.56 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 0.00 0.00 0.00 23 G 7.39 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 24 A 8.03 4.57 1.18 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 25 V 7.40 3.45 1.53 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 0.56 0.00 0.00 -0.46 0.00 0.00 26 W 7.50 4.93 0.00 3.33 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 27 G 8.17 3.64 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 0.00 0.00 0.00 28 D 7.98 4.31 0.00 3.04 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 29 V 8.64 3.64 2.30 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 1.03 0.00 0.00 1.16 0.00 0.00 30 A 8.34 4.04 1.44 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 31 E 7.93 4.12 0.00 2.15 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 2.36 2.45 0.00 32 R 7.92 4.08 0.00 1.89 1.90 0.00 3.31 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 33 L 7.82 3.79 0.00 1.80 1.68 0.89 0.59 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 34 E 7.92 4.14 0.00 2.21 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 2.36 2.51 0.00 35 K 7.10 4.28 0.00 1.96 1.77 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.65 7.81 36 P 0.00 4.07 0.00 2.16 1.99 0.00 3.64 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 2.12 2.15 0.00 37 R 8.83 3.51 0.00 1.78 1.93 0.00 3.10 0.00 0.00 3.35 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 38 R 7.86 4.00 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 39 T 8.16 4.18 4.27 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 1.22 0.00 0.00 40 H 7.54 4.26 0.00 3.26 3.27 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.11 4.53 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 42 E 8.61 4.83 0.00 1.80 1.86 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 2.20 2.29 0.00 43 V 8.93 4.49 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 1.02 0.00 0.00 0.94 0.00 0.00 44 N 8.37 5.82 0.00 2.69 2.98 0.00 0.00 7.61 6.74 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 45 L 8.74 4.11 0.00 1.82 1.75 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.65 3.75 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 0.00 0.00 0.00 47 R 7.93 4.15 0.00 1.99 2.00 0.00 3.21 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.89 0.00 48 I 7.74 3.77 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.43 0.97 0.00 0.00 49 E 8.39 3.99 0.00 1.95 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 2.42 2.31 0.00 50 R 7.60 3.96 0.00 1.71 1.40 0.00 2.44 0.00 0.00 2.88 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.27 0.00 51 Y 7.60 4.71 0.00 2.96 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 52 A 7.90 4.64 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 53 Q 8.07 4.62 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 54 E 8.66 4.01 0.00 1.99 1.95 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 2.53 2.36 0.00 55 D 8.86 4.43 0.00 2.84 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 56 E 7.72 4.71 0.00 1.91 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 2.23 2.38 0.00 57 T 8.33 4.17 4.32 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 1.37 0.00 0.00 58 V 8.93 4.35 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 0.96 0.00 0.00 0.99 0.00 0.00 59 V 9.34 4.78 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 1.07 0.00 0.00 1.11 0.00 0.00 60 V 9.13 4.82 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 1.09 0.00 0.00 0.94 0.00 0.00 61 P 0.00 4.52 0.00 2.13 2.25 0.00 3.97 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 62 G 7.16 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 0.00 0.00 0.00 0.00 63 K 9.12 4.99 0.00 1.72 1.56 0.00 1.58 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.27 1.34 7.81 64 V 8.26 4.80 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 1.09 0.00 0.00 0.83 0.00 0.00 65 L 10.34 5.02 0.00 1.95 1.52 0.93 0.73 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 66 G 8.52 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 0.00 0.00 0.00 0.00 67 S 8.15 4.63 0.00 4.00 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 68 G 9.08 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 0.00 0.00 0.00 69 V 7.87 4.39 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.46 4.88 0.00 1.59 1.51 1.01 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 10.11 4.49 0.00 1.92 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 72 K 8.28 3.92 0.00 1.75 1.77 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.45 1.82 7.81 73 D 8.49 5.25 0.00 2.85 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 74 V 7.79 4.74 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 0.88 0.00 0.00 0.97 0.00 0.00 75 T 8.36 4.81 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 1.26 0.00 0.00 76 V 8.81 4.88 2.28 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 0.98 0.00 0.00 1.02 0.00 0.00 77 A 9.80 5.94 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 A 8.39 4.99 0.55 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 79 V 8.39 3.53 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 0.69 0.00 0.00 0.87 0.00 0.00 80 D 7.29 4.68 0.00 2.78 2.38 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 81 F 8.66 5.41 0.00 2.84 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 82 S 8.92 4.34 0.00 3.96 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 83 G 8.79 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 84 T 7.89 3.92 4.27 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 1.23 0.00 0.00 85 A 8.09 4.02 1.49 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 86 E 8.11 3.69 0.00 1.90 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 2.18 2.04 0.00 87 T 7.26 3.88 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 1.20 0.00 0.00 88 K 8.27 4.39 0.00 1.90 1.86 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.55 7.81 89 I 8.07 3.73 1.84 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.05 0.88 0.00 0.00 90 D 7.45 4.62 0.00 2.62 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 Q 7.93 4.17 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.74 0.00 92 V 7.79 4.53 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 0.93 0.00 0.00 0.96 0.00 0.00 93 G 8.58 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 0.00 0.00 0.00 0.00 94 E 9.47 5.12 0.00 2.02 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 2.16 2.23 0.00 95 A 9.26 4.55 0.62 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 96 V 9.13 4.58 2.25 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 1.10 0.00 0.00 0.94 0.00 0.00 97 S 8.70 4.71 0.00 4.11 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 98 L 8.24 3.86 0.00 1.67 1.59 1.00 0.96 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 99 E 8.03 3.82 0.00 2.05 1.91 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 2.35 2.37 0.00 100 Q 7.76 4.00 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 8.00 4.00 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 0.00 102 I 7.15 3.02 1.69 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 -0.06 -0.06 0.66 0.00 0.00 103 E 7.26 4.13 0.00 2.02 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 2.30 2.32 0.00 104 N 8.36 4.68 0.00 2.74 2.88 0.00 0.00 6.83 7.59 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 0.00 105 N 7.94 5.01 0.00 2.91 2.99 0.00 0.00 6.85 7.02 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 0.00 106 P 0.00 4.62 0.00 2.32 2.32 0.00 3.89 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 107 E 8.59 4.13 0.00 2.14 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 2.42 2.40 0.00 108 G 8.04 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 0.00 109 S 8.10 4.56 0.00 4.00 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 0.00 110 H 8.34 4.00 0.00 3.33 3.34 0.00 5.55 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 0.00 111 V 7.25 4.80 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 0.48 0.00 0.00 0.86 0.00 0.00 112 R 9.03 4.54 0.00 2.15 1.79 0.00 3.13 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 113 V 8.45 4.51 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 0.87 0.00 0.00 0.88 0.00 0.00 114 I 8.79 4.79 1.91 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 1.48 1.06 0.98 0.00 0.00 115 R 8.36 4.17 0.00 1.84 1.81 0.00 3.05 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00