NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3730 8.1927 116.7867 58.0585 63.4443 173.6995 2 I 3.0261 8.0083 126.4053 62.0898 37.8331 175.9005 3 Q 4.3397 8.1422 116.8073 57.5243 29.5641 176.0807 4 A 4.1262 7.4613 121.3385 54.1206 19.3314 178.1252 5 E 3.5085 7.6919 117.0890 56.1401 29.5776 178.1793 6 E 3.8694 8.3232 122.0380 58.5807 29.9700 177.7475 7 W 4.5006 7.1685 114.9810 57.0884 28.8803 174.8085 8 Y 5.2014 7.4205 121.6628 57.0658 37.7052 174.6357 9 F 4.3093 9.4410 126.4133 56.4899 40.5376 178.2143 10 G 3.2920 5.4684 110.8333 46.7790 0.0000 176.5183 11 K 4.7814 8.5063 120.9207 54.6757 30.4604 175.1492 12 I 4.6797 7.5252 115.4196 57.8180 40.9115 176.7557 13 T 4.2841 8.1350 112.8866 60.9258 71.2210 175.7568 14 R 3.7675 9.1242 121.4876 59.6336 29.9296 178.5380 15 R 3.8956 7.8882 118.0015 59.2101 30.0951 177.9862 16 E 3.9173 8.2076 119.4497 59.2956 29.6974 178.7835 17 S 4.0737 8.3470 114.6678 61.7474 62.8471 176.4372 18 E 3.9718 8.3129 122.0362 58.8776 28.9444 179.1369 19 R 3.8985 7.9065 118.2265 59.4771 30.2275 178.3127 20 L 4.1493 7.8275 117.4311 57.8944 41.8477 179.2634 21 L 4.2242 8.1253 118.5091 56.9197 41.3118 178.3637 22 L 4.5309 7.6307 117.3778 53.7630 41.9071 176.0803 23 N 4.4276 7.6023 119.9640 53.0300 39.2511 175.8149 24 A 4.2612 8.7816 128.8830 55.2223 18.5013 178.0498 25 E 4.1388 8.3942 113.7995 57.9626 29.8813 176.8506 26 N 4.4881 8.2577 118.4623 52.1280 39.0029 173.5230 27 P 4.5657 0.0000 0.0000 61.2768 32.8963 175.5094 28 R 3.9333 8.1218 117.6432 57.9895 30.3211 177.6455 29 G 4.1268 9.1262 110.0901 46.3350 0.0000 173.4357 30 T 4.6778 7.6098 117.9293 63.9111 69.6457 173.5160 31 F 5.7352 9.1033 119.8660 55.8767 42.2346 172.5956 32 L 4.7326 8.3177 117.0859 54.8304 43.5897 173.9770 33 V 5.1669 9.2054 120.2703 61.3997 34.7235 174.5455 34 R 4.9879 9.1599 122.6294 54.6107 33.5566 173.8914 35 E 4.6449 8.8626 119.1443 56.2079 30.0613 177.4978 36 S 4.2547 8.3833 118.0538 58.4753 62.6882 174.3183 37 E 4.1438 9.0211 126.0429 59.0752 29.4316 178.0265 38 T 4.3908 7.7811 105.1262 61.4223 70.8116 173.7902 39 T 4.3641 8.1228 121.1162 61.3525 68.9931 174.3913 40 K 4.1250 8.5492 126.6495 57.9578 33.0783 177.0853 41 G 3.7114 8.7250 108.2718 46.0187 0.0000 172.6574 42 A 4.6630 7.5197 120.9871 50.0993 22.4722 175.4310 43 Y 5.2459 8.6011 115.8387 56.4221 42.5442 174.5769 44 C 5.3366 9.5146 117.3757 58.1280 32.6814 173.2310 45 L 5.0471 9.1037 125.6636 53.8099 43.7652 174.9664 46 S 5.2987 9.0522 123.2730 56.9006 65.2939 173.5777 47 V 5.0753 8.8657 124.4077 61.0993 35.0383 174.5815 48 S 5.0246 9.2094 122.4555 58.0555 64.9579 172.4316 49 D 5.1947 9.2027 120.8096 53.2016 45.4898 173.5486 50 F 5.4436 8.8002 122.2881 57.3560 42.3714 172.6458 51 D 4.5291 7.3492 123.4966 52.0143 42.3199 175.9872 52 N 3.8019 8.6635 116.5137 56.1020 39.0347 177.0359 53 A 4.0513 8.0713 120.3324 54.8118 18.5126 178.3202 54 K 4.2613 9.4642 112.7484 55.2576 34.3467 179.0521 55 G 3.3444 8.0964 108.6648 45.3189 0.0000 172.1292 56 L 4.9185 8.5798 124.5543 55.1350 43.0730 176.8572 57 N 5.0612 9.1970 122.6321 51.9861 41.5268 172.9737 58 V 4.9076 8.1528 117.5769 61.1226 34.6103 174.4681 59 K 4.5368 8.9738 126.2999 54.8010 35.4652 174.7060 60 H 5.1685 8.0454 118.7675 54.1511 32.0617 172.6011 61 Y 4.7835 8.6408 119.8179 55.9092 41.2115 174.7139 62 K 4.6547 8.8634 125.6719 56.2626 34.1431 175.2006 63 I 4.8896 8.8814 128.2674 59.8597 39.3906 174.9489 64 R 4.7840 8.7895 126.6570 54.4171 32.6381 175.3632 65 K 4.5612 8.0788 122.0104 54.5830 34.8935 176.0068 66 L 4.4175 8.8694 127.4971 54.1054 42.6403 177.7055 67 D 4.3505 8.4178 119.8700 57.0637 41.0086 178.0791 68 S 4.2143 7.9243 113.3898 59.5013 62.9306 175.0200 69 G 3.9411 8.2949 109.9594 44.7089 0.0000 174.1303 70 G 3.9865 7.7543 107.3046 46.0365 0.0000 172.6678 71 F 5.5022 9.3180 122.5479 55.9397 41.8189 174.4054 72 Y 5.2107 8.6171 118.8489 57.1403 41.0274 175.2039 73 I 4.2142 8.9879 120.6978 62.4878 38.3979 176.1135 74 T 4.7496 7.8217 114.6461 59.7936 68.9306 175.0459 75 S 2.7987 8.5850 123.0858 60.5265 63.0419 175.6874 76 R 3.9206 7.4383 119.6336 58.3377 29.8760 176.7775 77 T 4.1364 7.7372 113.7269 61.4076 69.4263 173.0052 78 Q 4.8240 7.6471 123.8404 53.9302 31.5202 175.2113 79 F 4.8752 8.6566 117.3132 55.8473 42.8509 176.0223 80 N 4.7409 8.9873 119.4213 55.2818 39.1003 175.7951 81 S 4.4822 7.6799 112.2314 55.8624 67.3124 175.0063 82 L 3.4364 7.2612 123.8633 58.0742 41.6894 179.1592 83 Q 4.1699 7.9061 117.6500 59.1612 28.6864 178.6528 84 Q 3.9370 8.1621 119.0496 58.6211 28.7280 178.5065 85 L 2.4400 7.6257 121.3305 57.6360 42.0360 179.1952 86 V 3.1411 7.6507 118.2281 65.7846 29.7637 177.7819 87 A 3.8956 7.9613 120.6228 55.1341 18.1318 179.0282 88 Y 3.8045 7.8026 118.0465 61.0208 38.8824 177.5822 89 Y 4.5067 7.5500 117.4435 59.2373 37.7446 177.5318 90 S 4.6602 7.4331 116.4547 58.9797 63.1970 174.6908 91 K 4.2168 6.9581 119.3863 56.6477 33.4138 176.2206 92 H 4.6855 7.7354 115.9486 53.6214 30.9076 175.1785 93 A 4.0390 8.6764 127.2289 54.0313 19.8294 179.2005 94 D 4.1837 7.7277 113.2201 55.9754 40.2553 175.3557 95 G 3.9037 8.9004 116.6604 46.5653 0.0000 173.4286 96 L 3.8511 7.7581 121.0790 53.8739 42.2327 177.9581 97 C 4.2895 8.6945 115.9012 61.3602 29.7632 173.2985 98 H 4.4913 7.1450 117.2090 54.9300 32.7952 173.4839 99 R 4.1504 8.0394 120.3197 55.6812 30.1939 176.2453 100 L 3.8001 8.6311 121.1143 55.8874 41.5961 175.7036 101 T 4.6723 9.4335 114.6006 61.3578 70.5486 173.8308 102 T 4.8172 7.8526 109.1708 58.4616 73.1444 173.7839 103 V 3.4584 8.2955 123.2438 62.6691 32.3088 175.1998 104 C 4.0129 8.4346 128.9220 59.2177 31.9273 171.8463 105 P 4.4981 0.0000 0.0000 62.9161 30.9739 176.1413 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 8.19 4.37 0.00 3.87 3.86 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 2 I 8.01 3.03 1.50 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 -0.19 0.83 0.64 0.00 0.00 3 Q 8.14 4.34 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 4 A 7.46 4.13 1.25 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 5 E 7.69 3.51 0.00 1.16 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 1.84 1.47 0.00 6 E 8.32 3.87 0.00 1.99 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 2.25 0.00 7 W 7.17 4.50 0.00 3.51 3.12 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 8 Y 7.42 5.20 0.00 2.68 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 9 F 9.44 4.31 0.00 2.81 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 10 G 5.47 3.29 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 0.00 11 K 8.51 4.78 0.00 1.76 1.77 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.59 7.81 12 I 7.53 4.68 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.88 0.98 0.00 0.00 13 T 8.14 4.28 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 1.21 0.00 0.00 14 R 9.12 3.77 0.00 1.75 1.99 0.00 2.97 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.18 0.00 15 R 7.89 3.90 0.00 1.90 1.90 0.00 3.23 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 16 E 8.21 3.92 0.00 2.16 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 2.35 2.41 0.00 17 S 8.35 4.07 0.00 4.03 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 18 E 8.31 3.97 0.00 2.19 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 2.57 0.00 19 R 7.91 3.90 0.00 1.91 2.08 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 20 L 7.83 4.15 0.00 1.80 1.69 1.06 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.13 4.22 0.00 1.72 1.70 0.87 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.63 4.53 0.00 1.67 1.70 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.60 4.43 0.00 2.69 2.70 0.00 0.00 7.07 8.09 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 24 A 8.78 4.26 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 0.00 0.00 25 E 8.39 4.14 0.00 2.07 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 0.00 2.33 2.27 0.00 26 N 8.26 4.49 0.00 2.77 2.76 0.00 0.00 6.98 7.97 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 27 P 0.00 4.57 0.00 2.19 2.15 0.00 3.70 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 2.06 1.97 0.00 28 R 8.12 3.93 0.00 1.52 1.66 0.00 3.26 0.00 0.00 3.47 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.68 0.00 29 G 9.13 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 30 T 7.61 4.68 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 31 F 9.10 5.74 0.00 3.22 3.20 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 0.00 0.00 0.00 0.00 32 L 8.32 4.73 0.00 1.00 0.99 0.76 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 33 V 9.21 5.17 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 1.34 0.00 0.00 1.05 0.00 0.00 34 R 9.16 4.99 0.00 2.04 2.01 0.00 3.04 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 35 E 8.86 4.64 0.00 1.96 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 2.50 2.51 0.00 36 S 8.38 4.25 0.00 3.89 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 37 E 9.02 4.14 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 2.31 2.29 0.00 38 T 7.78 4.39 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 39 T 8.12 4.36 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 1.18 0.00 0.00 40 K 8.55 4.13 0.00 1.83 1.79 0.00 1.71 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.37 7.81 41 G 8.72 3.71 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 42 A 7.52 4.66 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 8.60 5.25 0.00 3.17 3.20 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 0.00 0.00 0.00 0.00 44 C 9.51 5.34 0.00 2.87 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 45 L 9.10 5.05 0.00 1.81 1.80 0.94 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 46 S 9.05 5.30 0.00 3.80 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 47 V 8.87 5.08 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 1.17 0.00 0.00 1.10 0.00 0.00 48 S 9.21 5.02 0.00 3.93 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 49 D 9.20 5.19 0.00 2.78 2.66 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 50 F 8.80 5.44 0.00 3.09 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 51 D 7.35 4.53 0.00 2.63 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 52 N 8.66 3.80 0.00 2.70 2.90 0.00 0.00 6.90 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 53 A 8.07 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 54 K 9.46 4.26 0.00 1.69 1.76 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.28 7.81 55 G 8.10 3.34 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 0.00 56 L 8.58 4.92 0.00 1.91 1.70 1.10 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 57 N 9.20 5.06 0.00 2.79 2.84 0.00 0.00 6.02 8.53 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 58 V 8.15 4.91 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 0.68 0.00 0.00 0.92 0.00 0.00 59 K 8.97 4.54 0.00 1.56 1.08 0.00 1.53 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.56 7.81 60 H 8.05 5.17 0.00 2.85 3.08 0.00 5.64 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.64 4.78 0.00 2.93 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 62 K 8.86 4.65 0.00 1.88 1.72 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.66 7.81 63 I 8.88 4.89 2.15 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.94 1.18 0.00 0.00 64 R 8.79 4.78 0.00 0.67 1.53 0.00 3.19 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.61 0.00 65 K 8.08 4.56 0.00 1.04 1.56 0.00 1.13 0.00 0.00 0.67 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.22 1.30 7.81 66 L 8.87 4.42 0.00 1.75 1.57 1.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.42 4.35 0.00 2.66 2.72 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 68 S 7.92 4.21 0.00 3.86 3.91 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 69 G 8.29 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 70 G 7.75 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 0.00 0.00 0.00 0.00 71 F 9.32 5.50 0.00 3.22 3.12 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 72 Y 8.62 5.21 0.00 3.41 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 73 I 8.99 4.21 1.92 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.31 0.95 0.00 0.00 74 T 7.82 4.75 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 1.33 0.00 0.00 75 S 8.58 2.80 0.00 3.47 3.48 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 76 R 7.44 3.92 0.00 1.73 1.97 0.00 3.07 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 77 T 7.74 4.14 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 0.73 0.00 0.00 78 Q 7.65 4.82 0.00 1.83 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.80 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 79 F 8.66 4.88 0.00 3.27 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 80 N 8.99 4.74 0.00 3.03 2.97 0.00 0.00 6.75 7.57 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 81 S 7.68 4.48 0.00 3.75 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 82 L 7.26 3.44 0.00 0.89 1.49 0.74 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.91 4.17 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 2.58 2.89 0.00 84 Q 8.16 3.94 0.00 2.34 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.40 0.00 85 L 7.63 2.44 0.00 1.58 1.61 1.19 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.65 3.14 1.69 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 0.37 0.00 0.00 -0.10 0.00 0.00 87 A 7.96 3.90 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 88 Y 7.80 3.80 0.00 2.85 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 0.00 0.00 0.00 0.00 89 Y 7.55 4.51 0.00 2.94 2.72 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 90 S 7.43 4.66 0.00 3.84 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 91 K 6.96 4.22 0.00 1.56 1.47 0.00 1.54 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.37 7.81 92 H 7.74 4.69 0.00 2.54 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.68 4.04 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 94 D 7.73 4.18 0.00 3.10 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 0.00 0.00 0.00 95 G 8.90 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 0.00 0.00 0.00 96 L 7.76 3.85 0.00 1.70 1.28 0.37 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 97 C 8.69 4.29 0.00 3.40 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 98 H 7.14 4.49 0.00 3.15 3.17 0.00 5.75 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.04 4.15 0.00 2.00 1.81 0.00 3.28 0.00 0.00 3.14 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.63 0.00 100 L 8.63 3.80 0.00 1.13 0.52 0.07 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 101 T 9.43 4.67 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 1.34 0.00 0.00 102 T 7.85 4.82 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 1.27 0.00 0.00 103 V 8.30 3.46 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 0.87 0.00 0.00 0.92 0.00 0.00 104 C 8.43 4.01 0.00 2.85 2.50 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 0.00 105 P 0.00 4.50 0.00 2.11 1.97 0.00 3.76 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00