NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4531 8.2649 123.5790 51.6965 20.6389 175.2695 2 E 4.5898 8.9362 118.2070 56.6191 35.0640 175.1800 3 F 4.9099 9.6447 120.5074 58.0421 44.4534 173.0100 4 K 4.3177 7.9575 125.1216 54.8574 36.8679 174.5269 5 H 4.6941 9.3186 125.1573 54.4057 32.1067 172.7641 6 V 4.4686 8.4483 127.2397 61.4412 33.3270 174.3600 7 F 5.1786 9.2626 127.1313 55.6756 41.7502 174.4145 8 V 4.6125 8.5748 124.3688 60.8269 33.6840 174.2340 9 C 4.9681 8.5349 129.1275 58.8595 31.9217 173.5547 10 V 4.7461 8.2739 120.0731 59.9707 32.7270 175.7528 11 Q 4.1465 8.1898 121.9687 56.4464 30.0341 174.3304 12 D 5.6445 8.4369 123.5697 51.6269 44.7031 174.7363 13 R 4.6979 8.3146 120.4669 53.5593 34.4872 173.5355 14 P 4.4289 0.0000 0.0000 62.1176 31.9201 175.7377 15 P 4.2964 0.0000 0.0000 65.4939 31.3143 177.9736 16 G 3.7330 7.9404 105.1773 46.9634 0.0000 173.3625 17 H 4.1299 8.2138 121.4770 55.5213 30.1549 173.7060 18 P 4.2658 0.0000 0.0000 66.0698 31.2119 177.7771 19 Q 4.1117 8.3451 114.5055 56.3887 29.6137 178.3341 20 G 3.7823 7.8740 106.8899 46.8120 0.0000 172.4998 21 S 4.5759 7.8980 113.4167 57.6586 65.4700 176.3904 22 C 4.1370 8.5680 118.5864 62.8734 28.1890 176.3691 23 A 4.0216 8.2758 122.6811 55.1780 18.0159 179.6061 24 Q 4.0579 7.9600 114.4935 58.7208 29.0790 177.5595 25 R 4.3476 7.8030 115.1028 56.1225 29.8789 176.6637 26 G 4.2823 7.9960 106.8496 47.1207 0.0000 176.3192 27 S 4.3891 8.3626 117.4988 60.6710 63.0260 175.9062 28 R 4.0741 7.9835 121.8376 59.2134 29.9761 178.4929 29 E 4.0324 8.2075 118.1150 59.1571 29.4223 179.3220 30 V 3.6051 7.4863 117.0557 65.9303 31.5781 177.6740 31 F 4.3416 8.4684 120.2833 61.7972 39.2820 177.0889 32 Q 3.8110 8.7118 117.6251 58.6649 28.4901 178.6502 33 A 4.0518 8.3340 122.2337 55.3991 18.4686 179.4970 34 F 3.9007 8.3812 116.3002 61.2044 38.6039 178.0131 35 M 4.0002 8.0819 118.0262 57.9665 31.7130 178.3822 36 E 4.1200 8.1423 118.6663 58.4059 29.3130 178.8100 37 K 3.9916 7.7883 120.0222 59.2620 32.0435 178.9451 38 I 3.8143 7.7281 119.4649 64.1773 37.0398 177.9050 39 Q 4.1673 7.5517 116.8747 58.3704 28.8971 177.5417 40 T 4.2463 7.5855 113.5343 62.9178 69.1237 173.8310 41 D 4.9718 7.1194 120.8847 51.4850 43.1683 174.0798 42 P 4.5356 0.0000 0.0000 65.3114 31.6875 177.1466 43 Q 4.4153 8.5125 114.7190 55.5605 31.0444 177.3816 44 L 3.9299 8.4385 120.0518 58.2165 41.7915 178.6881 45 F 4.3492 8.3919 112.2479 59.9481 37.7250 176.7533 46 M 3.8233 6.9274 118.8654 57.3431 31.7644 176.6021 47 T 4.9709 7.9232 108.8186 61.1974 70.4985 173.6410 48 T 4.9599 7.9932 116.8220 63.0661 72.7453 173.4439 49 V 4.4908 8.3782 124.5669 61.0762 35.2578 174.0011 50 I 4.8355 8.3237 126.7848 59.7697 39.7996 174.9819 51 T 4.8502 8.9390 123.1634 61.0386 72.1418 171.3029 52 P 4.8946 0.0000 0.0000 62.3121 32.9736 175.0177 53 T 4.6954 8.7289 112.2459 59.9616 72.9651 173.0318 54 G 4.3808 8.3605 109.2085 44.4612 0.0000 172.7655 55 C 3.9359 8.4058 119.2599 60.7501 31.5936 173.6379 56 M 4.6211 8.6475 124.7239 54.8442 32.1172 175.3179 57 N 4.2842 8.4064 113.4163 54.3182 36.1218 174.2854 58 A 4.7773 7.6776 116.6509 51.2822 20.2102 178.8604 59 C 4.0579 8.6990 120.5987 64.6936 28.4450 176.8064 60 M 4.1628 8.0858 115.3594 57.8381 31.2324 176.5444 61 M 4.6066 8.1334 118.7099 55.0012 33.0399 176.6044 62 G 4.1336 8.0594 106.7163 45.2423 0.0000 171.9876 63 P 4.6948 0.0000 0.0000 62.5875 32.8252 175.6121 64 V 4.6536 8.4805 123.8788 61.5825 33.8436 174.6031 65 V 5.0009 8.7549 126.8675 61.2347 34.8444 174.1307 66 V 4.4363 8.5611 127.4993 59.6200 34.3287 174.7187 67 V 4.7124 8.3605 123.4381 61.4830 33.9131 174.0594 68 Y 5.2055 8.8435 125.3911 55.5227 40.9213 175.3360 69 P 4.6077 0.0000 0.0000 64.8419 31.8201 177.6948 70 D 4.5030 8.2756 118.3558 57.9272 40.7866 179.0882 71 G 3.5839 8.6548 106.2167 45.4727 0.0000 172.2404 72 V 4.4859 7.4103 119.1545 60.9422 33.5128 174.2323 73 W 5.0017 9.0780 127.9201 55.2206 31.4975 174.6072 74 Y 5.2536 9.5718 122.9235 56.4039 40.3552 175.0541 75 G 4.4329 8.9234 108.6293 44.7392 0.0000 172.0049 76 Q 3.8009 8.9456 117.6501 55.3690 26.9994 174.8784 77 V 3.8191 7.5260 116.1699 62.6043 32.6025 175.1493 78 K 4.6926 9.3537 126.3638 53.7846 34.8641 175.4521 79 P 4.1604 0.0000 0.0000 65.9455 31.2382 178.4799 80 E 4.0535 8.1401 110.8395 57.4556 29.4999 177.2068 81 D 4.6393 8.2844 120.9038 55.2880 42.0587 178.3666 82 V 2.9457 7.3194 119.3338 65.9824 31.2588 177.1918 83 D 4.1880 7.8985 116.7866 57.6620 40.9541 178.0349 84 E 3.9285 8.0033 118.7699 59.0722 29.5781 178.6914 85 I 3.7355 7.3896 119.7609 64.0168 37.2745 178.3660 86 V 3.5997 8.1503 119.4294 66.2901 31.3361 177.7516 87 E 3.9566 8.2715 118.2379 59.4311 29.3889 179.5229 88 K 3.9552 8.2842 118.2747 59.4456 32.0992 177.9722 89 H 4.9141 7.8476 118.1403 57.5785 30.4642 176.7227 90 L 3.8943 8.2094 120.8405 56.9932 41.5169 177.7683 91 K 4.3804 7.7244 115.5113 57.9076 33.7687 178.0467 92 G 3.6569 8.3007 107.9345 46.9907 0.0000 174.4841 93 G 3.9440 8.4943 107.2679 45.5517 0.0000 172.7110 94 E 4.6120 8.2960 117.5980 53.0919 31.6900 173.6621 95 P 4.2991 0.0000 0.0000 62.7026 32.1310 177.4082 96 V 4.0190 8.6361 123.0938 60.9685 29.9098 175.8309 97 E 3.8670 8.4919 125.7793 58.8524 29.9298 179.0965 98 R 4.1687 8.0778 113.0773 57.7671 29.7476 176.6693 99 L 4.7427 8.3161 117.8461 54.3544 43.4714 176.4489 100 V 4.0740 7.5839 120.1093 62.8142 31.7588 175.3536 101 I 4.5042 8.2066 119.4641 60.7967 39.2207 174.8533 102 S 4.5587 7.5875 115.6696 57.9584 66.0489 174.3333 103 K 4.9025 7.9029 121.5761 56.1118 35.6230 177.3468 104 G 4.2631 10.7959 115.0119 45.7313 0.0000 173.5911 105 K 4.6973 7.5129 115.6548 53.9037 36.2406 174.2054 106 P 2.0000 0.0000 0.0000 60.8796 31.7491 174.4839 107 P 4.0156 0.0000 0.0000 64.3739 31.4244 176.7050 108 G 3.7632 8.8212 111.1228 46.3660 0.0000 172.8885 109 M 4.2005 7.4467 124.3702 55.1992 32.3917 175.0716 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 A 8.26 4.45 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 2 E 8.94 4.59 0.00 2.03 1.71 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 2.24 2.37 0.00 3 F 9.64 4.91 0.00 2.95 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 4 K 7.96 4.32 0.00 1.43 1.39 0.00 1.70 0.00 0.00 1.43 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.22 1.24 7.81 5 H 9.32 4.69 0.00 3.07 3.24 0.00 5.59 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.45 4.47 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 0.26 0.00 0.00 0.72 0.00 0.00 7 F 9.26 5.18 0.00 2.83 2.82 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 8 V 8.57 4.61 2.27 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 1.08 0.00 0.00 0.86 0.00 0.00 9 C 8.53 4.97 0.00 3.10 2.87 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 V 8.27 4.75 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 0.82 0.00 0.00 0.82 0.00 0.00 11 Q 8.19 4.15 0.00 2.24 1.96 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 2.41 2.40 0.00 12 D 8.44 5.64 0.00 2.64 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.31 4.70 0.00 1.72 1.68 0.00 3.13 0.00 0.00 2.73 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 14 P 0.00 4.43 0.00 2.20 2.00 0.00 3.65 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 2.14 2.13 0.00 15 P 0.00 4.30 0.00 2.04 2.15 0.00 3.68 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 2.04 2.12 0.00 16 G 7.94 3.73 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 0.00 0.00 0.00 17 H 8.21 4.13 0.00 3.28 3.21 0.00 5.81 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 P 0.00 4.27 0.00 2.07 2.12 0.00 3.50 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 1.98 2.11 0.00 19 Q 8.35 4.11 0.00 2.11 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.09 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 20 G 7.87 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 0.00 0.00 0.00 21 S 7.90 4.58 0.00 4.13 3.90 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 22 C 8.57 4.14 0.00 3.03 3.06 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 23 A 8.28 4.02 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 24 Q 7.96 4.06 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.98 0.00 0.00 0.00 0.00 0.00 2.46 2.57 0.00 25 R 7.80 4.35 0.00 1.98 1.98 0.00 3.21 0.00 0.00 3.26 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 26 G 8.00 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 27 S 8.36 4.39 0.00 4.21 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 28 R 7.98 4.07 0.00 1.93 2.09 0.00 3.14 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 29 E 8.21 4.03 0.00 2.25 2.02 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 2.42 2.45 0.00 30 V 7.49 3.61 2.43 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 1.38 0.00 0.00 1.14 0.00 0.00 31 F 8.47 4.34 0.00 3.21 3.33 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 32 Q 8.71 3.81 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.50 2.74 0.00 33 A 8.33 4.05 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 34 F 8.38 3.90 0.00 3.15 2.96 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 35 M 8.08 4.00 0.00 1.81 1.96 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.81 0.00 36 E 8.14 4.12 0.00 2.09 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 2.27 2.50 0.00 37 K 7.79 3.99 0.00 1.93 1.91 0.00 1.46 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.48 7.81 38 I 7.73 3.81 1.85 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 1.79 0.90 0.96 0.00 0.00 39 Q 7.55 4.17 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.91 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 40 T 7.59 4.25 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 1.19 0.00 0.00 41 D 7.12 4.97 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.54 0.00 2.11 2.16 0.00 3.71 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 43 Q 8.51 4.42 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.76 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 44 L 8.44 3.93 0.00 1.92 1.74 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.39 4.35 0.00 3.23 3.18 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 46 M 6.93 3.82 0.00 1.70 1.95 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.29 0.00 47 T 7.92 4.97 4.40 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 1.22 0.00 0.00 48 T 7.99 4.96 4.30 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 1.11 0.00 0.00 49 V 8.38 4.49 1.88 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 0.94 0.00 0.00 1.02 0.00 0.00 50 I 8.32 4.84 1.75 0.00 0.00 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 1.26 0.97 0.72 0.00 0.00 51 T 8.94 4.85 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 1.27 0.00 0.00 52 P 0.00 4.89 0.00 1.66 0.85 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.76 0.00 53 T 8.73 4.70 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 1.40 0.00 0.00 54 G 8.36 4.38 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 0.00 0.00 0.00 55 C 8.41 3.94 0.00 2.96 2.91 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 0.00 0.00 0.00 56 M 8.65 4.62 0.00 2.25 2.17 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 57 N 8.41 4.28 0.00 2.91 2.92 0.00 0.00 6.79 7.35 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 58 A 7.68 4.78 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 59 C 8.70 4.06 0.00 3.02 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 60 M 8.09 4.16 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.57 0.00 61 M 8.13 4.61 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 62 G 8.06 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.69 0.00 2.28 2.06 0.00 3.80 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 2.29 2.19 0.00 64 V 8.48 4.65 2.18 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 1.19 0.00 0.00 1.06 0.00 0.00 65 V 8.75 5.00 2.27 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 0.95 0.00 0.00 1.05 0.00 0.00 66 V 8.56 4.44 0.67 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 0.38 0.00 0.00 -0.47 0.00 0.00 67 V 8.36 4.71 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 0.69 0.00 0.00 1.00 0.00 0.00 68 Y 8.84 5.21 0.00 3.12 2.84 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 69 P 0.00 4.61 0.00 2.16 2.25 0.00 3.77 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 2.19 2.33 0.00 70 D 8.28 4.50 0.00 2.83 2.77 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 71 G 8.65 3.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 7.41 4.49 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 0.54 0.00 0.00 0.86 0.00 0.00 73 W 9.08 5.00 0.00 3.24 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 74 Y 9.57 5.25 0.00 3.14 2.87 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 75 G 8.92 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 0.00 0.00 0.00 0.00 76 Q 8.95 3.80 0.00 2.18 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.78 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 77 V 7.53 3.82 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 0.79 0.00 0.00 1.02 0.00 0.00 78 K 9.35 4.69 0.00 1.93 1.66 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.43 7.81 79 P 0.00 4.16 0.00 2.14 2.08 0.00 3.59 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 80 E 8.14 4.05 0.00 2.03 2.02 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 2.24 2.31 0.00 81 D 8.28 4.64 0.00 2.71 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 82 V 7.32 2.95 1.72 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 -0.28 0.00 0.00 0.45 0.00 0.00 83 D 7.90 4.19 0.00 2.63 2.58 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 0.00 0.00 0.00 0.00 84 E 8.00 3.93 0.00 2.02 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 2.36 2.38 0.00 85 I 7.39 3.74 1.91 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.36 0.96 0.00 0.00 86 V 8.15 3.60 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 1.03 0.00 0.00 0.92 0.00 0.00 87 E 8.27 3.96 0.00 2.01 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 2.44 2.47 0.00 88 K 8.28 3.96 0.00 2.08 1.89 0.00 1.78 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.60 7.81 89 H 7.85 4.91 0.00 3.28 3.57 0.00 5.74 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.21 3.89 0.00 1.86 1.70 1.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.72 4.38 0.00 1.99 1.81 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.48 7.81 92 G 8.30 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 93 G 8.49 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 94 E 8.30 4.61 0.00 2.12 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 0.00 2.38 2.26 0.00 95 P 0.00 4.30 0.00 2.00 1.87 0.00 3.63 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 1.93 1.80 0.00 96 V 8.64 4.02 2.22 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 1.13 0.00 0.00 0.96 0.00 0.00 97 E 8.49 3.87 0.00 2.10 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 2.40 2.42 0.00 98 R 8.08 4.17 0.00 1.99 2.08 0.00 3.05 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 99 L 8.32 4.74 0.00 2.02 1.96 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.58 4.07 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 0.76 0.00 0.00 0.89 0.00 0.00 101 I 8.21 4.50 1.88 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.90 1.03 0.00 0.00 102 S 7.59 4.56 0.00 3.65 3.33 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 0.00 103 K 7.90 4.90 0.00 1.68 1.63 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.40 7.81 104 G 10.80 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 0.00 0.00 0.00 0.00 105 K 7.51 4.70 0.00 1.64 1.55 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.41 7.81 106 P 0.00 2.00 0.00 1.76 1.14 0.00 3.43 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 2.02 2.07 0.00 107 P 0.00 4.02 0.00 1.87 1.89 0.00 3.06 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.86 0.00 108 G 8.82 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 0.00 109 M 7.45 4.20 0.00 1.87 1.75 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00