NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.6646 8.3549 109.7066 44.8114 0.0000 174.1538 2 F 4.1771 7.6734 118.7716 54.1849 39.7361 172.9527 3 P 4.4809 0.0000 0.0000 62.7175 32.8504 175.5052 4 I 4.3732 8.2130 121.7497 59.7892 38.0338 174.3740 5 P 4.4536 0.0000 0.0000 63.0768 31.7909 176.0777 6 D 4.4991 8.2304 119.3930 52.8350 41.9877 173.2844 7 P 4.6406 0.0000 0.0000 62.8337 31.8275 176.8321 8 Y 4.5442 8.8050 120.9038 57.2606 36.8074 174.2464 9 V 4.1969 7.2804 122.4655 59.5301 35.1838 174.9707 10 W 2.5400 7.8191 134.5433 56.6268 31.3561 174.9290 11 D 4.6408 6.7733 122.1629 50.3542 42.3074 174.3810 12 P 3.8767 0.0000 0.0000 65.6981 31.3736 178.6792 13 S 4.0333 7.6954 111.3781 60.3147 62.8163 174.8241 14 F 4.4520 7.5083 119.1347 57.1686 38.8794 176.1411 15 R 4.2944 7.5987 121.4834 56.9701 30.0070 176.6963 16 T 4.0650 9.4485 112.0047 60.9480 69.9205 175.4621 17 F 3.7093 7.5125 119.0556 58.5588 36.9109 174.6892 18 Y 4.7823 7.6338 119.4296 56.2054 39.2336 176.2168 19 S 4.1420 8.8456 121.8362 62.0186 62.9889 176.8835 20 I 3.6871 7.7618 121.3097 64.5580 36.9323 178.3864 21 I 3.7491 7.8247 120.0176 64.6853 37.0098 178.1322 22 D 4.3446 8.4789 119.8686 57.3254 40.3008 178.5453 23 D 4.1709 8.3750 119.7562 56.8293 40.7107 178.4659 24 E 4.2366 8.2196 119.5339 59.2898 29.6712 178.6281 25 H 5.0761 8.1802 117.6924 58.4112 28.9293 177.8645 26 K 3.8688 7.7599 120.6042 59.6452 31.9257 179.4573 27 T 4.0447 7.4485 110.2680 64.6727 68.7077 176.7943 28 L 3.8808 7.9195 121.7921 57.5053 41.6121 179.3884 29 F 4.0936 8.3428 117.6848 60.7362 38.7691 177.2422 30 N 4.5976 8.1400 115.5698 56.6821 38.8837 177.1587 31 G 3.6341 8.0714 106.9305 47.5335 0.0000 175.1781 32 I 4.0076 7.7447 120.3640 62.5952 37.9644 177.5263 33 F 4.2529 8.5050 121.9945 61.9244 39.2037 176.8741 34 H 3.9738 8.2553 115.4940 58.6294 28.2956 177.5985 35 L 3.9705 7.4526 119.8985 57.7481 41.8475 178.8475 36 A 4.1338 7.6829 120.2901 55.1158 18.5040 179.1852 37 I 3.9516 6.9637 116.8617 63.0381 37.7118 176.5417 38 D 4.5957 8.7077 124.5430 52.2348 42.3444 176.1324 39 D 4.9021 8.5421 127.9782 54.0048 40.8089 176.0067 40 N 4.7043 8.6783 115.1213 51.4759 38.1298 175.5752 41 A 4.0222 8.5755 120.4937 55.4037 18.2321 179.9174 42 D 4.2691 7.9390 116.8933 57.7123 41.1161 178.4522 43 N 4.3046 8.0747 116.4793 56.2479 38.5072 177.0261 44 L 3.8173 7.9842 121.8864 57.9240 41.9965 179.3289 45 G 3.4952 7.6654 105.5661 47.4334 0.0000 175.4354 46 E 3.8677 8.1656 121.6954 58.8721 29.6422 178.7900 47 L 3.8306 7.7953 120.4114 58.1783 42.1353 178.9411 48 R 3.8874 7.9555 118.7031 59.0293 29.8337 178.5905 49 R 3.7630 8.1184 118.9251 59.5227 30.1692 177.8690 50 C 4.0381 7.7904 118.0631 62.9072 31.5196 175.6971 51 T 3.5265 8.3707 117.6999 66.2750 67.8261 176.9831 52 G 3.5356 7.6531 107.4050 47.7889 0.0000 175.3397 53 K 3.9057 8.4297 122.8587 59.2424 32.1576 177.8549 54 H 4.6263 8.4480 119.5270 59.0239 29.8909 177.1011 55 F 4.4284 8.3081 119.1380 60.6837 38.6163 177.6585 56 L 4.0695 7.9930 119.5017 58.1601 41.9559 178.4459 57 N 4.2903 8.4519 116.8335 56.4387 38.4734 176.9269 58 E 3.7803 8.5190 120.7203 59.5395 29.8034 178.8887 59 Q 4.2421 8.2955 117.9224 58.9798 28.7018 179.1536 60 V 3.5943 8.1294 119.9272 65.6431 31.5749 177.8867 61 L 3.8266 7.9528 120.3065 58.4330 41.8506 178.9323 62 M 4.0344 8.2838 119.0067 58.4433 31.8954 178.8087 63 Q 3.4975 8.1354 118.0593 58.3496 28.5350 178.4172 64 A 3.8858 7.6180 122.5082 55.0988 18.4535 178.4805 65 S 4.5912 7.5356 107.9381 57.5913 63.3007 174.4464 66 Q 3.2691 7.6536 117.8389 56.4948 26.4931 173.9058 67 Y 4.3682 8.6205 116.5820 58.1425 39.6346 175.9720 68 Q 3.7716 8.4550 127.8960 58.5877 29.0441 176.6912 69 F 4.7155 5.6460 115.5084 57.5453 40.0060 177.7134 70 Y 4.3448 8.1245 122.4119 61.1798 38.9311 175.9384 71 D 4.3727 8.4322 119.5213 57.7887 40.8359 178.7150 72 E 4.0115 8.2980 117.0360 60.1390 29.3571 178.5661 73 H 4.2440 8.0672 118.4298 58.6125 29.8793 177.2147 74 K 3.8115 7.9340 124.2565 59.6876 31.9597 179.6598 75 K 4.2201 7.9348 123.6949 59.8341 31.1348 181.1070 76 E 4.4641 8.0841 119.9229 59.8690 29.5693 179.2853 77 H 4.0043 8.3000 116.1242 58.8969 28.6049 177.7718 78 E 4.2498 8.4959 122.9227 59.9620 29.1235 180.0168 *79 T 3.8634 7.9638 114.8328 66.1370 68.4936 179.5657 80 F 4.2198 7.6477 122.8581 61.0764 39.1179 177.3435 81 I 3.6618 7.7478 118.0737 64.4944 37.2296 177.5862 82 H 4.3388 8.7080 119.2781 59.2471 29.6106 177.0285 83 A 3.8166 8.1786 122.8078 55.3017 17.9806 179.5942 84 L 3.7230 7.7196 115.9323 57.1342 41.6730 178.6875 85 D 4.5795 7.8296 117.7512 54.9884 42.1879 176.1736 86 N 5.0004 7.3604 115.7242 51.6352 38.8558 175.1106 87 W 4.4410 8.2149 130.0843 58.3742 31.4330 175.9236 88 K 4.0235 7.7734 126.0200 53.9009 31.9378 173.3309 89 G 3.5570 5.3800 105.9514 46.3321 0.0000 175.3713 90 D 4.5729 6.0675 122.3562 53.8742 37.5596 177.3168 91 V 4.0941 7.7522 124.1157 65.7909 32.2950 178.7877 92 K 4.2672 8.1350 119.0009 59.2109 32.1522 178.6536 93 W 4.2435 8.4202 128.0823 60.5477 30.7901 177.6568 94 A 4.2114 8.6866 120.3877 55.0840 18.0025 179.6838 95 K 3.7228 8.5076 118.5601 59.1159 32.0953 179.7712 96 S 4.2838 8.1118 114.2412 60.9665 62.9844 176.1185 97 W 3.6231 8.4978 132.3153 60.1715 30.2937 177.3361 98 Y 3.9039 8.1064 119.2681 60.7082 38.1749 177.6657 99 V 3.5488 7.6237 118.7763 66.5527 31.6345 177.7828 100 N 4.2036 8.2563 115.9220 55.9208 38.3087 176.9730 101 H 3.3818 7.4358 119.9594 58.9590 29.8068 177.2114 102 I 3.2650 6.8961 120.1377 63.9233 37.6316 178.0658 103 K 2.0000 6.7958 117.5812 57.6439 31.5198 178.3348 104 T 4.2357 6.8490 108.1111 62.5390 70.4430 175.9142 105 I 3.8553 7.2438 121.8959 63.3540 37.6302 177.9227 106 D 3.9837 7.3435 118.9709 57.4374 40.7086 178.5417 107 F 4.3879 8.1874 120.6302 61.2925 38.6054 178.6634 108 K 4.1272 7.4003 122.7090 59.0044 31.7782 181.7837 109 Y 4.6816 7.7677 115.2151 56.8800 38.2695 175.3886 110 K 4.3188 7.6831 121.5698 58.2999 32.3237 177.1244 111 G 4.0730 9.3752 111.5786 46.1565 0.0000 173.9444 112 K 4.7676 8.4782 115.9092 55.4806 33.9117 176.4205 113 I 4.1373 7.7115 117.8063 60.9552 37.6238 174.9991 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 G 8.35 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 2 F 7.67 4.18 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 3 P 0.00 4.48 0.00 2.23 2.08 0.00 3.87 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 2.03 2.00 0.00 4 I 8.21 4.37 2.04 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.98 1.29 0.00 0.00 5 P 0.00 4.45 0.00 2.09 1.95 0.00 3.90 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.23 0.00 6 D 8.23 4.50 0.00 2.70 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 7 P 0.00 4.64 0.00 2.29 2.26 0.00 3.86 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 1.99 1.99 0.00 8 Y 8.80 4.54 0.00 3.21 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 9 V 7.28 4.20 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 0.71 0.00 0.00 0.64 0.00 0.00 10 W 7.82 2.54 0.00 2.57 2.67 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 11 D 6.77 4.64 0.00 2.66 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 12 P 0.00 3.88 0.00 2.05 2.13 0.00 3.41 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.16 0.00 13 S 7.70 4.03 0.00 3.74 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 14 F 7.51 4.45 0.00 2.05 3.13 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 15 R 7.60 4.29 0.00 1.05 0.68 0.00 2.99 0.00 0.00 3.32 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.75 0.00 16 T 9.45 4.07 4.66 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 1.55 0.00 0.00 17 F 7.51 3.71 0.00 3.00 3.07 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 0.00 0.00 0.00 18 Y 7.63 4.78 0.00 3.09 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 19 S 8.85 4.14 0.00 3.90 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 20 I 7.76 3.69 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.89 0.91 0.00 0.00 21 I 7.82 3.75 2.21 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.61 1.11 0.00 0.00 22 D 8.48 4.34 0.00 2.72 2.46 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 23 D 8.37 4.17 0.00 2.73 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 24 E 8.22 4.24 0.00 2.22 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 2.34 2.64 0.00 25 H 8.18 5.08 0.00 3.38 3.74 0.00 5.65 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 26 K 7.76 3.87 0.00 1.68 1.63 0.00 1.13 0.00 0.00 1.27 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.31 0.47 7.81 27 T 7.45 4.04 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 28 L 7.92 3.88 0.00 1.86 1.09 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.34 4.09 0.00 3.33 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 30 N 8.14 4.60 0.00 2.95 3.10 0.00 0.00 7.13 7.92 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 31 G 8.07 3.63 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 0.00 0.00 0.00 32 I 7.74 4.01 1.84 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.89 1.00 0.00 0.00 33 F 8.51 4.25 0.00 3.65 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 34 H 8.26 3.97 0.00 3.29 3.35 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.45 3.97 0.00 1.84 1.85 1.06 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.68 4.13 1.32 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 0.00 0.00 0.00 37 I 6.96 3.95 1.83 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.31 0.81 0.00 0.00 38 D 8.71 4.60 0.00 2.63 2.49 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 39 D 8.54 4.90 0.00 2.83 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 40 N 8.68 4.70 0.00 2.89 3.06 0.00 0.00 6.90 7.44 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 41 A 8.58 4.02 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 42 D 7.94 4.27 0.00 2.76 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 43 N 8.07 4.30 0.00 2.83 2.84 0.00 0.00 6.70 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 44 L 7.98 3.82 0.00 1.61 1.71 0.16 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.67 3.50 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 0.00 0.00 0.00 46 E 8.17 3.87 0.00 2.06 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 2.27 2.32 0.00 47 L 7.80 3.83 0.00 1.86 1.65 0.83 0.53 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 48 R 7.96 3.89 0.00 1.86 1.95 0.00 3.05 0.00 0.00 2.91 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 49 R 8.12 3.76 0.00 1.94 2.00 0.00 3.13 0.00 0.00 3.06 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 50 C 7.79 4.04 0.00 3.17 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 51 T 8.37 3.53 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 0.66 0.00 0.00 52 G 7.65 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.43 3.91 0.00 1.79 1.93 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.47 7.81 54 H 8.45 4.63 0.00 3.35 3.45 0.00 5.90 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.31 4.43 0.00 3.24 3.07 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 0.00 0.00 0.00 56 L 7.99 4.07 0.00 1.94 1.87 1.00 1.15 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 57 N 8.45 4.29 0.00 2.96 2.87 0.00 0.00 6.72 7.51 0.00 0.00 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 E 8.52 3.78 0.00 2.00 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 2.08 2.23 0.00 59 Q 8.30 4.24 0.00 2.50 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 60 V 8.13 3.59 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 0.96 0.00 0.00 1.03 0.00 0.00 61 L 7.95 3.83 0.00 1.77 1.33 0.72 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 62 M 8.28 4.03 0.00 2.46 2.45 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.16 0.00 63 Q 8.14 3.50 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 1.35 2.08 0.00 64 A 7.62 3.89 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 65 S 7.54 4.59 0.00 4.10 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 66 Q 7.65 3.27 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 67 Y 8.62 4.37 0.00 2.98 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 68 Q 8.45 3.77 0.00 1.67 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.33 0.00 0.00 0.00 0.00 0.00 1.18 1.90 0.00 69 F 5.65 4.72 0.00 2.91 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 70 Y 8.12 4.34 0.00 3.25 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 71 D 8.43 4.37 0.00 2.85 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 72 E 8.30 4.01 0.00 2.30 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 0.00 2.58 2.75 0.00 73 H 8.07 4.24 0.00 3.57 3.38 0.00 5.60 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.93 3.81 0.00 1.16 1.72 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.20 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.58 7.81 75 K 7.93 4.22 0.00 1.84 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.35 7.81 76 E 8.08 4.46 0.00 2.24 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 2.58 2.53 0.00 77 H 8.30 4.00 0.00 3.31 3.19 0.00 5.64 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 78 E 8.50 4.25 0.00 2.24 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 2.41 2.70 0.00 *79 T 7.96 3.86 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 80 F 7.65 4.22 0.00 1.81 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 81 I 7.75 3.66 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.32 0.96 0.00 0.00 82 H 8.71 4.34 0.00 3.32 3.52 0.00 5.79 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 83 A 8.18 3.82 1.17 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 0.00 0.00 84 L 7.72 3.72 0.00 1.54 1.47 -0.16 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.83 4.58 0.00 2.83 2.73 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 86 N 7.36 5.00 0.00 2.44 2.62 0.00 0.00 6.93 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 87 W 8.21 4.44 0.00 3.14 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 88 K 7.77 4.02 0.00 1.79 1.65 0.00 1.88 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.26 0.97 7.81 89 G 5.38 3.56 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 0.00 0.00 0.00 90 D 6.07 4.57 0.00 2.34 2.36 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 91 V 7.75 4.09 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 0.76 0.00 0.00 0.93 0.00 0.00 92 K 8.13 4.27 0.00 1.90 1.95 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.55 7.81 93 W 8.42 4.24 0.00 3.59 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 94 A 8.69 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.51 3.72 0.00 2.01 1.89 0.00 1.62 0.00 0.00 1.73 0.00 0.00 2.48 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.30 1.26 7.81 96 S 8.11 4.28 0.00 4.15 4.20 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 97 W 8.50 3.62 0.00 2.18 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 98 Y 8.11 3.90 0.00 2.86 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 99 V 7.62 3.55 2.42 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 1.22 0.00 0.00 1.22 0.00 0.00 100 N 8.26 4.20 0.00 2.55 2.64 0.00 0.00 6.70 9.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 H 7.44 3.38 0.00 1.77 2.83 0.00 5.78 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 0.00 102 I 6.90 3.27 1.37 0.00 0.00 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 1.08 1.11 0.68 0.00 0.00 103 K 6.80 2.00 0.00 0.79 0.74 0.00 0.76 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.33 7.81 104 T 6.85 4.24 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 1.31 0.00 0.00 105 I 7.24 3.86 1.54 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.78 0.51 0.00 0.00 106 D 7.34 3.98 0.00 2.69 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.19 4.39 0.00 2.85 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 0.00 108 K 7.40 4.13 0.00 1.81 1.73 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.31 7.81 109 Y 7.77 4.68 0.00 2.48 2.42 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 0.00 110 K 7.68 4.32 0.00 1.71 1.78 0.00 1.31 0.00 0.00 1.48 0.00 0.00 2.92 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.32 7.81 111 G 9.38 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.48 4.77 0.00 2.16 2.14 0.00 2.15 0.00 0.00 2.09 0.00 0.00 3.14 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.71 7.81 113 I 7.71 4.14 1.70 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 -0.13 0.62 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.