NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 C 5.2626 8.2600 117.9073 57.1206 42.2083 172.6326 2 E 4.6852 8.5167 121.8437 53.0459 31.7896 171.5073 3 E 4.1487 9.4631 119.5117 55.3201 30.2271 175.5903 4 P 3.4782 0.0000 0.0000 61.4965 31.8910 174.2128 5 P 4.3297 0.0000 0.0000 62.8576 31.9143 175.5741 6 T 4.5916 7.5593 108.3512 59.8178 71.1872 173.1290 7 F 4.8375 8.1545 120.0377 55.6382 43.0339 174.7143 8 E 4.0242 8.8788 122.2164 58.2903 29.9833 176.8842 9 A 3.5589 7.5237 117.7785 51.1817 20.4784 175.7144 10 M 5.0676 7.5643 115.8630 54.4130 35.2726 173.6984 11 E 5.0036 9.0116 123.4005 54.0428 33.5614 174.7164 12 L 4.2437 8.5574 122.7908 55.0317 42.9850 176.3868 13 I 3.9178 8.4474 128.4429 63.6924 37.1558 176.3784 14 G 3.9333 8.8652 112.6941 44.4397 0.0000 171.8954 15 K 4.1850 8.0770 118.4249 55.0144 32.6426 175.8636 16 P 4.7082 0.0000 0.0000 62.5859 32.1988 175.3407 17 K 4.7207 8.1929 116.0526 53.7768 35.5846 175.4385 18 P 4.4561 0.0000 0.0000 65.5290 31.6216 175.5100 19 Y 5.1626 7.6327 117.8983 55.6022 41.6282 174.2313 20 Y 4.5624 7.2553 120.4948 56.3506 42.0976 175.0366 21 E 4.2346 9.1372 122.8597 54.9188 31.6617 176.2808 22 I 3.6546 8.0851 122.0203 62.9157 37.5758 177.1497 23 G 3.9227 8.9070 111.4853 45.7416 0.0000 173.6973 24 E 4.4295 7.6533 119.9606 55.8511 30.9486 175.6392 25 R 5.3305 8.6358 122.6205 54.5773 33.1847 175.1459 26 V 4.4643 8.5748 123.2924 59.9274 34.8104 174.0250 27 D 5.1982 8.3908 122.0826 52.7800 44.4190 174.5275 28 Y 5.2175 8.7833 119.4467 56.2203 41.6256 175.0801 29 K 4.6708 9.1098 118.7675 55.3912 36.2058 175.1360 30 C 4.6051 9.0945 120.4825 57.7559 36.2850 174.0804 31 K 4.4314 8.3534 122.1392 55.6573 33.6043 176.0004 32 K 4.2721 8.5142 122.7076 58.0520 32.4063 176.8430 33 G 3.9353 9.3771 114.3886 45.0720 0.0000 171.7500 34 Y 5.4822 7.8596 116.0505 56.3455 41.4283 174.3947 35 F 5.1988 8.8423 114.2701 56.0868 41.9505 172.7118 36 Y 5.1922 8.8939 120.3542 56.8461 40.7175 174.1885 37 I 4.3764 7.3740 125.5824 58.4650 40.6013 173.7226 38 P 4.2873 0.0000 0.0000 61.8860 31.5382 174.1611 39 P 4.8473 0.0000 0.0000 62.1034 31.9660 175.3915 40 L 4.0114 7.8785 118.7712 55.3575 42.0387 176.8166 41 A 4.4823 8.3186 124.6029 52.4005 19.5112 177.1030 42 T 4.7987 8.3688 107.1173 61.3465 70.7503 172.5931 43 H 5.4895 8.0318 116.0532 55.2419 32.4035 171.8242 44 T 4.6286 8.6293 111.1474 61.2510 70.9924 171.9619 45 I 5.1893 8.3704 126.9991 59.6374 40.2340 176.1640 46 C 4.1041 8.9921 126.9624 55.7765 43.8631 173.3550 47 D 4.3656 8.1544 127.7692 52.7460 40.6432 175.6290 48 R 3.9253 8.6846 117.2344 59.6419 30.0281 176.5509 49 N 4.6918 8.2135 115.4916 52.0957 40.2160 176.3124 50 H 4.5006 8.6049 123.0862 55.6038 27.0503 175.7693 51 T 4.5956 9.5446 108.2524 59.2557 71.2861 174.5680 52 W 4.6339 8.6273 126.3031 56.8970 29.9571 175.8662 53 L 4.4163 8.2079 121.9202 53.8582 42.1814 175.2401 54 P 4.6763 0.0000 0.0000 63.0665 31.9035 176.8757 55 V 4.3930 8.1141 121.0081 60.6370 33.8987 172.9471 56 S 4.6762 8.1922 116.2987 56.7330 65.9855 172.9756 57 D 4.5496 7.9895 116.2156 53.1598 39.2732 177.2043 58 D 4.2285 7.9320 119.2225 56.4351 41.3863 177.1781 59 A 4.2233 7.8487 121.4234 53.3909 18.8910 176.9790 60 C 6.0117 7.4910 113.4611 54.9956 42.3762 173.1784 61 Y 4.4590 8.1028 121.7446 56.2415 39.8661 175.7905 62 R 4.1883 7.8771 120.0787 55.8634 30.9911 176.7207 63 E 4.6174 9.6285 122.6185 56.9906 30.6571 176.1447 64 T 4.8579 8.3282 112.6021 60.0582 71.4396 174.6716 65 C 4.6679 8.3906 120.9229 55.5569 40.9836 172.0113 66 P 4.3403 0.0000 0.0000 62.9274 31.3836 175.7832 67 Y 4.4890 8.0327 116.4596 58.3643 38.3267 176.4608 68 I 4.5172 8.4292 123.0908 59.8337 39.4420 175.7908 69 R 4.2353 8.4113 124.2657 55.1997 30.7869 176.6989 70 D 4.3560 8.5755 119.7933 53.9837 41.3613 174.9562 71 P 4.1895 0.0000 0.0000 63.6837 31.4380 175.0410 72 L 3.6195 7.8521 123.6596 54.5729 42.8635 175.8566 73 N 3.9446 9.3015 122.4883 53.6066 35.7726 173.7914 74 G 4.1807 7.5676 106.4240 44.8918 0.0000 172.3338 75 Q 4.7039 9.1637 119.3396 54.3071 32.6472 173.8220 76 A 4.7432 9.3263 128.3662 50.0901 21.1457 176.2556 77 V 4.1350 8.1445 115.8643 58.7621 35.3761 173.9644 78 P 4.5859 0.0000 0.0000 62.4054 29.6152 177.1951 79 A 4.0858 7.8206 126.1971 55.0366 18.4053 179.0856 80 N 4.6586 8.1598 111.6280 52.7497 38.7695 175.8268 81 G 4.3560 8.9127 105.6765 46.1018 0.0000 173.8540 82 T 4.6097 7.0127 110.7261 60.9604 70.5537 173.0729 83 Y 4.3148 8.6114 122.5862 58.5050 38.9340 175.9514 84 E 4.3966 8.0827 119.8522 56.2021 30.0996 176.9828 85 F 4.3948 7.8446 116.6451 58.0417 38.3991 175.5900 86 G 3.6700 9.4248 109.0751 45.6021 0.0000 172.4054 87 Y 5.1478 7.3417 116.5879 56.5317 42.4794 173.6059 88 Q 5.1747 8.7030 115.6096 55.4915 32.7181 173.1860 89 M 4.5631 9.5044 120.4854 54.1046 34.6542 174.2300 90 H 5.2575 8.5376 122.3583 53.9530 32.5149 172.9909 91 F 5.3436 8.6152 120.2402 55.6373 41.8256 174.4782 92 I 4.5706 8.5529 117.6141 59.2555 39.7868 174.8033 93 C 4.9012 8.8292 123.7820 55.9537 42.9132 173.2264 94 N 4.6406 8.7586 118.4475 52.8781 38.6345 175.8175 95 E 3.7981 8.6540 119.4463 60.2486 29.8514 178.4985 96 G 3.7526 8.2219 105.5858 46.7938 0.0000 171.9520 97 Y 5.6984 8.5379 116.9778 55.3353 41.4329 174.4564 98 Y 4.9997 8.4585 117.5958 55.1817 41.5460 174.2901 99 L 4.3571 8.6695 123.5866 56.2732 43.1076 173.7131 100 I 3.8709 8.1887 119.0008 60.9256 38.4457 176.2448 101 G 3.6582 9.4189 118.0171 45.4837 0.0000 172.5503 102 E 3.8410 8.0711 125.4785 53.3946 31.3484 176.6913 103 E 4.9098 8.4220 115.4981 55.7224 29.6355 175.5836 104 I 4.9261 7.8102 118.7734 61.0401 41.7258 175.3614 105 L 4.9157 9.0008 126.0869 53.1281 45.6269 175.0197 106 Y 5.1069 10.0859 122.0736 56.3419 40.2548 174.4124 107 C 4.4248 9.1181 125.8740 56.6853 42.4091 172.0949 108 E 5.1297 9.1446 126.3493 54.1994 32.9294 175.0006 109 L 4.3524 8.1600 123.7276 54.3057 43.2590 176.7929 110 K 4.3853 9.2415 125.6100 55.1359 34.7772 177.9320 111 G 3.9590 8.8434 117.3610 45.7017 0.0000 172.4852 112 S 4.7414 8.9772 114.2999 57.5059 63.9950 173.3674 113 V 4.4944 7.2641 118.9953 61.2929 35.1395 173.3968 114 A 4.8885 8.5482 129.5629 51.1874 19.5144 176.5983 115 I 4.5721 9.1091 116.1152 58.5404 41.8457 174.9170 116 W 4.8666 8.6289 124.0463 56.8674 29.9924 176.9181 117 S 4.4747 9.5179 117.4949 58.7378 62.3793 175.4348 118 G 4.2135 7.2554 109.2398 46.7949 0.0000 173.0012 119 K 4.6434 8.4735 122.8706 53.4798 35.3718 174.2715 120 P 3.5438 0.0000 0.0000 61.9707 31.8360 174.7469 121 P 4.5831 0.0000 0.0000 61.9849 33.7606 174.3939 122 I 4.6897 7.8529 117.7722 60.2421 41.9970 174.8606 123 C 5.1377 8.6113 120.4489 55.2731 38.5320 172.9370 124 E 4.8651 8.1825 123.0518 53.7570 32.8062 176.7239 125 K 3.5590 8.8226 120.6765 57.7427 32.9668 177.2008 126 V 3.4593 8.2974 122.6738 63.0106 32.1774 170.9136 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 C 8.26 5.26 0.00 1.89 1.73 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 2 E 8.52 4.69 0.00 2.14 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 2.35 2.79 0.00 3 E 9.46 4.15 0.00 2.13 1.99 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 2.59 2.60 0.00 4 P 0.00 3.48 0.00 1.62 0.93 0.00 3.65 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 1.35 0.57 0.00 5 P 0.00 4.33 0.00 1.50 1.87 0.00 3.23 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 6 T 7.56 4.59 4.16 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 1.19 0.00 0.00 7 F 8.15 4.84 0.00 2.95 2.76 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 8 E 8.88 4.02 0.00 1.91 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 2.28 2.32 0.00 9 A 7.52 3.56 0.88 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 0.00 0.00 10 M 7.56 5.07 0.00 1.55 1.63 0.00 0.00 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.10 0.00 11 E 9.01 5.00 0.00 2.12 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 0.00 2.27 2.25 0.00 12 L 8.56 4.24 0.00 1.63 1.58 0.15 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.45 3.92 1.88 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 1.14 0.64 0.88 0.00 0.00 14 G 8.87 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 0.00 0.00 0.00 15 K 8.08 4.19 0.00 1.77 1.76 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.37 7.81 16 P 0.00 4.71 0.00 2.26 2.11 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.02 0.00 17 K 8.19 4.72 0.00 0.97 1.36 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.35 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.23 1.29 7.81 18 P 0.00 4.46 0.00 2.27 2.34 0.00 3.59 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 19 Y 7.63 5.16 0.00 2.83 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 20 Y 7.26 4.56 0.00 2.72 2.53 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 21 E 9.14 4.23 0.00 2.02 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 0.00 2.28 2.30 0.00 22 I 8.09 3.65 1.80 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.28 0.92 0.00 0.00 23 G 8.91 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 0.00 0.00 0.00 24 E 7.65 4.43 0.00 2.10 2.07 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 2.38 2.41 0.00 25 R 8.64 5.33 0.00 1.85 1.81 0.00 3.25 0.00 0.00 3.28 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 26 V 8.57 4.46 1.58 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 0.02 0.00 0.00 0.41 0.00 0.00 27 D 8.39 5.20 0.00 2.56 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 28 Y 8.78 5.22 0.00 2.79 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 29 K 9.11 4.67 0.00 1.77 1.85 0.00 1.35 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.45 7.81 30 C 9.09 4.61 0.00 3.02 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 31 K 8.35 4.43 0.00 1.65 1.79 0.00 1.54 0.00 0.00 1.47 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.32 7.81 32 K 8.51 4.27 0.00 1.76 1.77 0.00 1.74 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.45 7.81 33 G 9.38 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 0.00 0.00 0.00 34 Y 7.86 5.48 0.00 3.01 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 35 F 8.84 5.20 0.00 3.15 3.14 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 36 Y 8.89 5.19 0.00 3.17 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 37 I 7.37 4.38 1.27 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.48 0.59 0.00 0.00 38 P 0.00 4.29 0.00 2.15 2.11 0.00 3.11 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.88 0.00 39 P 0.00 4.85 0.00 2.21 2.18 0.00 3.77 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 1.90 1.95 0.00 40 L 7.88 4.01 0.00 1.68 1.71 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.32 4.48 1.22 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 0.00 0.00 0.00 42 T 8.37 4.80 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 1.17 0.00 0.00 43 H 8.03 5.49 0.00 3.27 3.35 0.00 5.56 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.63 4.63 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 1.21 0.00 0.00 45 I 8.37 5.19 1.92 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 1.33 0.85 1.03 0.00 0.00 46 C 8.99 4.10 0.00 1.75 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 47 D 8.15 4.37 0.00 2.76 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 48 R 8.68 3.93 0.00 1.77 2.01 0.00 3.32 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 49 N 8.21 4.69 0.00 2.80 2.72 0.00 0.00 7.14 7.68 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 50 H 8.60 4.50 0.00 3.24 3.42 0.00 5.75 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 9.54 4.60 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 52 W 8.63 4.63 0.00 3.21 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 53 L 8.21 4.42 0.00 1.61 1.68 0.95 0.95 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 54 P 0.00 4.68 0.00 1.96 2.01 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 2.05 2.12 0.00 55 V 8.11 4.39 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 0.91 0.00 0.00 0.70 0.00 0.00 56 S 8.19 4.68 0.00 3.94 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 57 D 7.99 4.55 0.00 2.52 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 0.00 0.00 0.00 58 D 7.93 4.23 0.00 2.61 2.63 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 59 A 7.85 4.22 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 60 C 7.49 6.01 0.00 2.90 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 61 Y 8.10 4.46 0.00 1.80 2.59 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 62 R 7.88 4.19 0.00 1.60 1.09 0.00 2.48 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.27 0.00 63 E 9.63 4.62 0.00 2.07 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 2.68 2.45 0.00 64 T 8.33 4.86 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 1.41 0.00 0.00 65 C 8.39 4.67 0.00 1.85 1.62 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 66 P 0.00 4.34 0.00 2.35 2.14 0.00 3.70 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 2.53 2.20 0.00 67 Y 8.03 4.49 0.00 3.02 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 68 I 8.43 4.52 1.84 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.86 1.01 0.00 0.00 69 R 8.41 4.24 0.00 1.82 1.86 0.00 3.22 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 70 D 8.58 4.36 0.00 2.64 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 71 P 0.00 4.19 0.00 2.15 2.27 0.00 3.86 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 2.11 0.00 72 L 7.85 3.62 0.00 1.57 1.50 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 73 N 9.30 3.94 0.00 2.34 1.42 0.00 0.00 6.80 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 74 G 7.57 4.18 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 75 Q 9.16 4.70 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.17 2.40 0.00 76 A 9.33 4.74 0.96 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 0.00 0.00 77 V 8.14 4.14 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 0.62 0.00 0.00 0.84 0.00 0.00 78 P 0.00 4.59 0.00 1.95 1.75 0.00 3.54 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 2.08 1.80 0.00 79 A 7.82 4.09 1.02 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 0.00 0.00 80 N 8.16 4.66 0.00 2.68 2.44 0.00 0.00 6.95 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 81 G 8.91 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 0.00 0.00 0.00 0.00 82 T 7.01 4.61 3.99 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 0.31 0.00 0.00 83 Y 8.61 4.31 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 84 E 8.08 4.40 0.00 2.03 1.79 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 2.48 2.32 0.00 85 F 7.84 4.39 0.00 3.04 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 86 G 9.42 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 87 Y 7.34 5.15 0.00 3.01 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 88 Q 8.70 5.17 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 89 M 9.50 4.56 0.00 1.54 1.26 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.68 0.00 90 H 8.54 5.26 0.00 2.94 3.02 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.62 5.34 0.00 2.71 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 92 I 8.55 4.57 1.89 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 1.23 1.56 0.91 0.00 0.00 93 C 8.83 4.90 0.00 2.93 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 94 N 8.76 4.64 0.00 2.82 2.78 0.00 0.00 6.93 7.36 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 95 E 8.65 3.80 0.00 1.98 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 2.35 2.41 0.00 96 G 8.22 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 97 Y 8.54 5.70 0.00 2.77 2.98 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 98 Y 8.46 5.00 0.00 3.02 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 99 L 8.67 4.36 0.00 1.69 1.62 0.96 1.02 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 0.00 100 I 8.19 3.87 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.58 0.82 0.00 0.00 101 G 9.42 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 0.00 102 E 8.07 3.84 0.00 1.98 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 2.33 2.32 0.00 103 E 8.42 4.91 0.00 2.27 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 0.00 2.27 2.38 0.00 104 I 7.81 4.93 1.79 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 1.19 0.45 0.29 0.00 0.00 105 L 9.00 4.92 0.00 1.57 1.77 0.85 0.70 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 0.00 106 Y 10.09 5.11 0.00 2.89 2.98 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 0.00 107 C 9.12 4.42 0.00 1.63 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 0.00 108 E 9.14 5.13 0.00 1.90 1.78 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 2.28 2.54 0.00 109 L 8.16 4.35 0.00 0.48 1.11 0.55 -0.04 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 0.00 110 K 9.24 4.39 0.00 1.65 1.63 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.29 1.47 7.81 111 G 8.84 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 0.00 0.00 0.00 112 S 8.98 4.74 0.00 3.82 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 0.00 113 V 7.26 4.49 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 0.68 0.00 0.00 0.89 0.00 0.00 114 A 8.55 4.89 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 0.00 115 I 9.11 4.57 1.89 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 1.18 1.23 0.88 0.00 0.00 116 W 8.63 4.87 0.00 3.45 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 0.00 117 S 9.52 4.47 0.00 4.10 4.44 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 0.00 118 G 7.26 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 0.00 0.00 0.00 0.00 119 K 8.47 4.64 0.00 1.67 1.61 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.43 7.81 120 P 0.00 3.54 0.00 1.81 1.68 0.00 3.55 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.91 0.00 121 P 0.00 4.58 0.00 1.85 2.29 0.00 2.20 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.48 0.00 122 I 7.85 4.69 1.76 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.98 0.83 0.00 0.00 123 C 8.61 5.14 0.00 2.77 2.94 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 0.00 124 E 8.18 4.87 0.00 1.68 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 2.35 2.25 0.00 125 K 8.82 3.56 0.00 1.81 1.91 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.38 7.81 126 V 8.30 3.46 2.17 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 0.64 0.00 0.00 1.25 0.00 0.00