NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.7954 0.0000 0.0000 62.6426 33.8188 174.3149 2 V 4.6793 8.3221 119.7789 60.2940 33.7774 169.3042 3 V 4.4836 9.5939 127.6956 61.2229 35.2788 174.7329 4 I 4.4175 8.0075 127.7461 60.2104 35.5072 175.7838 5 K 3.9916 7.8786 122.6710 58.0509 32.7689 176.2096 *9 P 4.3246 0.0000 0.0000 62.3971 32.4156 175.2428 10 A 5.0908 9.1089 123.3988 49.7297 22.8839 174.5782 11 W 5.0610 9.0717 129.3112 57.1890 32.1248 176.3265 12 T 3.8979 7.9550 122.3217 60.6560 70.9835 172.3594 13 P 4.1801 0.0000 0.0000 62.1863 31.8308 176.1389 14 L 3.9760 8.2177 119.7279 54.1107 42.3673 177.1389 15 E 3.7556 8.8237 122.6061 56.4319 30.2369 175.7236 16 P 4.1979 0.0000 0.0000 65.9130 31.5070 178.3530 17 K 3.9504 8.0310 117.5234 59.3781 31.9672 178.7314 18 L 3.9389 7.6439 118.7948 57.7163 41.6853 179.1091 19 I 3.6088 7.6445 119.6678 64.7120 36.9927 178.4138 20 T 3.7889 8.1593 116.7589 66.6848 68.2319 176.2175 21 R 3.8265 7.9417 120.2988 59.5701 29.9877 177.9682 22 L 4.6202 8.4641 121.2820 57.6585 41.4879 178.7386 23 A 3.9443 8.3555 120.8834 55.3196 18.2113 179.3937 24 D 4.3012 8.2520 117.4570 57.7042 40.8215 178.9466 25 T 3.8377 8.1038 116.4903 66.9001 68.4301 176.5291 26 V 3.6018 8.1388 122.5458 66.8176 31.1195 178.8919 27 R 4.0382 7.3702 118.3531 61.4627 29.5685 181.2948 28 T 4.2062 8.3306 115.9658 66.3707 68.6149 176.3057 29 K 3.9876 8.5503 120.0425 60.3296 32.4243 176.5582 30 G 4.1425 8.0315 101.2776 43.1811 0.0000 173.7322 31 L 4.2405 8.3739 118.9763 57.6598 41.9156 179.3880 32 R 4.0422 8.2393 116.6150 59.1972 30.5217 177.4893 33 S 3.9497 7.8573 110.6141 57.1653 64.0743 173.3494 34 P 4.3260 0.0000 0.0000 65.7522 31.4124 178.8420 35 I 3.7560 7.5602 120.1174 64.5068 36.9059 178.5130 36 T 3.8809 7.7135 116.0568 66.9324 68.5306 176.2734 37 M 4.0854 8.3531 120.0032 58.7709 32.1265 178.1912 38 A 3.9658 8.3378 121.1971 55.2974 18.6166 179.5595 39 E 3.9458 8.0762 116.6226 59.0393 29.2103 179.8737 40 V 3.2599 7.5714 117.9982 65.9009 31.9127 177.6400 41 E 4.0356 8.0045 118.0294 59.3812 28.8547 179.0380 42 A 3.9623 7.9478 120.7616 55.3433 18.1635 179.4633 43 L 3.9986 7.8246 117.4800 57.4018 42.3334 177.9277 44 M 4.6175 7.5534 117.8324 54.8412 32.2732 176.9328 45 S 4.3315 7.4674 111.6342 58.1041 62.9333 173.8931 46 S 4.5396 8.1614 112.0376 57.5169 65.2775 173.0093 47 P 4.0966 0.0000 0.0000 62.5098 31.2921 175.1213 48 L 4.9666 8.7177 123.4156 52.5933 45.0335 176.9284 49 L 4.5721 9.0493 121.5610 53.3755 44.1381 176.4328 50 P 4.5328 0.0000 0.0000 66.3640 31.4182 178.3916 51 H 4.1267 8.9543 117.2057 59.3216 29.7327 176.9469 52 D 4.3459 8.0023 119.9934 57.6508 40.8156 179.1782 53 V 3.4579 7.7574 113.0231 64.2768 31.4408 178.8473 54 T 3.7384 7.8361 109.5341 65.0890 68.6500 176.4988 55 N 4.2451 7.8728 119.6362 55.2454 38.4812 176.9516 56 L 3.7696 7.7617 121.8265 58.6753 42.1171 179.0752 57 M 3.7547 7.5572 118.2403 58.1234 31.4996 178.7634 58 R 2.5643 7.6742 118.4474 59.0227 30.2282 178.4409 59 V 3.6575 7.6350 117.1365 64.8404 31.6052 177.1662 60 I 4.0808 7.4511 111.3043 60.5841 38.5760 175.7101 61 L 4.6567 7.4046 120.2531 52.8032 43.5250 177.0574 62 G 3.8758 8.3110 107.8637 43.5235 0.0000 172.9226 63 P 4.3577 0.0000 0.0000 65.7398 31.2523 178.7219 64 A 4.0051 8.0014 118.3980 54.9443 18.4147 177.5582 65 P 4.2309 0.0000 0.0000 66.0709 31.3414 178.2157 66 Y 4.3253 8.6384 118.4369 60.5654 38.7921 177.8972 67 A 3.8870 8.1488 121.8476 55.0946 18.4761 179.3692 68 L 3.9146 8.2034 119.0387 57.9217 42.1280 179.0089 69 W 4.0131 8.6557 128.7830 60.7202 30.6920 177.8134 70 M 3.7354 8.2295 118.7381 58.3559 31.4128 178.5621 71 D 4.2063 7.9418 118.4239 57.2895 41.0205 178.5897 72 A 3.8952 7.9599 121.3437 54.9006 18.3536 179.4621 73 W 4.0399 8.1878 127.2124 60.4161 30.6011 178.3361 74 G 3.3803 7.8518 105.7015 47.6091 0.0000 175.8240 75 V 3.4628 7.5238 120.3191 65.8534 31.4907 178.0654 76 Q 3.9674 8.0428 117.7744 59.0821 28.5840 178.9182 77 L 3.8239 8.0609 120.1956 57.7861 41.5125 179.6092 78 Q 3.9151 7.8151 118.2014 59.2013 28.7001 179.0927 79 T 3.8624 7.7788 110.3498 64.5056 68.6526 176.8463 80 V 3.5563 7.4222 121.2247 65.9956 31.3721 178.1113 81 I 3.7242 7.5920 118.1785 64.0192 37.1265 178.1646 82 A 4.0488 8.1287 121.5011 55.1139 18.3084 179.3776 83 A 3.9150 8.0052 119.0565 55.4541 18.2738 179.6971 84 A 3.9655 8.0971 117.6831 54.7018 18.3912 179.8119 85 T 4.0114 7.5950 114.4951 66.7063 68.7759 176.9986 86 R 4.3177 7.9265 116.0346 57.1570 30.0768 175.4035 87 D 4.7629 7.9108 119.8711 51.3219 41.3560 174.5216 88 P 4.1867 0.0000 0.0000 65.5619 31.3268 177.1544 89 R 4.3519 8.3545 117.5675 56.0768 30.0399 175.4685 90 H 4.1988 8.2271 117.6283 55.4291 30.3824 174.5150 91 P 4.3423 0.0000 0.0000 65.1041 31.2318 177.9644 92 A 4.1652 8.2596 121.0820 54.2619 18.7983 177.3577 93 N 4.8092 8.0221 112.9556 52.6717 40.4035 176.0425 94 G 4.0976 8.1239 113.9173 46.7865 0.0000 175.6532 95 Q 4.4395 8.6850 125.2977 55.8274 28.9561 173.8829 *99 E 4.2707 8.2348 115.3646 56.9166 31.4842 179.6864 100 R 4.6804 7.8081 117.9308 57.1859 30.1681 179.3970 101 T 4.4717 8.1440 111.3634 62.6815 68.5989 173.5853 102 N 5.0227 8.0078 120.9025 49.9429 41.7698 174.8593 103 L 3.7738 8.4301 122.3544 58.6261 41.9798 178.8010 104 N 4.2856 8.1459 115.5776 56.4975 38.4960 177.4547 105 R 3.9236 9.0204 119.6010 59.3347 30.0096 179.2048 106 L 4.1195 7.7577 117.2253 56.9010 41.6315 178.6445 107 K 4.3702 7.8821 116.3045 55.3368 32.3326 176.9898 108 G 3.9828 7.7915 107.1437 46.5806 0.0000 174.6001 109 L 4.4078 8.1822 118.0147 54.0557 42.5558 176.9430 110 A 4.1501 7.6031 122.3157 51.4173 19.0221 176.2673 111 D 4.4774 8.4167 119.4202 56.0748 41.4074 176.6980 112 G 3.9890 9.1847 114.0196 45.9308 0.0000 173.3857 113 M 4.5393 8.0209 119.4349 55.1107 34.5154 176.0889 114 V 3.7140 8.1069 117.9754 64.4859 31.6342 174.9642 115 G 4.0179 8.8283 113.7840 46.1831 0.0000 172.7814 116 N 4.6736 7.8611 119.6870 49.9837 38.8552 172.9716 117 P 3.7240 0.0000 0.0000 65.1748 31.4517 177.5792 118 Q 4.1975 7.8983 117.6155 59.1919 28.9406 178.3959 119 G 3.6237 9.0327 107.1689 47.6519 0.0000 175.8634 120 Q 3.9839 8.1347 120.1901 58.8306 28.5332 178.5905 121 A 4.0455 7.9167 120.4956 54.9026 18.4478 179.4144 122 A 4.1058 7.8360 118.5719 55.3460 18.6742 179.6360 123 L 4.0933 7.8524 116.0703 56.8391 42.3275 178.3261 124 L 4.3104 7.5036 117.9933 54.7165 42.4531 178.0305 125 R 4.2780 9.7916 123.0998 55.0706 32.1606 176.3206 126 P 4.4060 0.0000 0.0000 66.2582 31.3120 179.0701 127 G 4.2184 8.0077 106.1369 46.8376 0.0000 175.5148 128 E 4.0293 8.0190 120.4533 59.4664 29.5940 178.9316 129 L 4.1344 7.8902 118.8306 57.8010 41.6203 179.8774 130 V 3.5947 7.9178 117.8451 66.0420 31.5208 177.9567 131 A 4.0626 7.8993 119.9624 55.2053 18.2510 179.5119 132 I 3.8870 8.4907 118.6133 65.0933 37.2588 178.8615 133 T 4.0034 8.4392 116.4876 66.5369 68.2411 176.7177 134 A 4.0820 8.7516 123.0199 55.3381 18.3657 179.7503 135 S 4.1880 8.9858 113.8263 61.8664 62.8961 176.9305 136 A 4.2440 8.5441 123.3761 55.0499 18.1444 179.4151 137 L 4.0177 8.2630 118.8926 58.3778 42.2321 178.8917 138 Q 4.0315 8.4718 119.3344 59.3657 29.0449 177.9117 139 A 4.0202 8.5114 122.0909 55.4071 18.2763 179.4207 140 F 4.3274 8.8676 119.0933 61.6762 39.4557 177.5874 141 R 4.0994 8.4340 117.7366 59.1464 29.7032 178.9792 142 E 3.9153 8.2902 118.4854 59.4063 29.5238 179.3877 143 V 3.5000 7.6895 117.9544 65.9140 31.3260 177.7500 144 A 3.7307 7.6505 119.5070 55.0844 18.2580 179.1939 145 R 3.9593 7.8699 115.9804 59.4884 30.3407 178.0788 146 L 4.3104 7.8536 115.0850 55.2357 42.0327 177.2656 147 A 4.2727 7.6420 126.2965 52.3599 18.4711 176.9807 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 P 0.00 4.80 0.00 2.04 2.07 0.00 3.97 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 1.97 1.94 0.00 2 V 8.32 4.68 2.14 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 0.89 0.00 0.00 1.06 0.00 0.00 3 V 9.59 4.48 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 0.93 0.00 0.00 0.88 0.00 0.00 4 I 8.01 4.42 1.88 0.00 0.00 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 1.42 0.95 0.92 0.00 0.00 5 K 7.88 3.99 0.00 1.75 1.87 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.42 7.81 *9 P 0.00 4.32 0.00 2.25 2.13 0.00 3.73 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 1.92 2.00 0.00 10 A 9.11 5.09 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 11 W 9.07 5.06 0.00 3.32 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 12 T 7.96 3.90 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 13 P 0.00 4.18 0.00 2.06 1.72 0.00 3.03 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 1.64 1.62 0.00 14 L 8.22 3.98 0.00 1.63 1.60 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.82 3.76 0.00 1.96 1.83 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 2.43 2.39 0.00 16 P 0.00 4.20 0.00 2.16 2.08 0.00 3.61 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 2.09 2.14 0.00 17 K 8.03 3.95 0.00 1.79 1.93 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.51 7.81 18 L 7.64 3.94 0.00 1.86 1.64 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 19 I 7.64 3.61 1.96 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.67 0.84 0.00 0.00 20 T 8.16 3.79 4.35 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 0.00 0.00 0.00 1.24 0.00 0.00 21 R 7.94 3.83 0.00 1.98 2.13 0.00 3.08 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 1.77 1.63 0.00 22 L 8.46 4.62 0.00 1.69 1.77 0.81 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.36 3.94 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 24 D 8.25 4.30 0.00 2.88 2.71 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 25 T 8.10 3.84 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 26 V 8.14 3.60 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 1.04 0.00 0.00 1.03 0.00 0.00 27 R 7.37 4.04 0.00 1.98 1.82 0.00 3.32 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.53 0.00 28 T 8.33 4.21 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 29 K 8.55 3.99 0.00 1.79 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.53 7.81 30 G 8.03 4.14 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 0.00 0.00 0.00 31 L 8.37 4.24 0.00 1.62 1.64 0.90 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.24 4.04 0.00 1.81 1.99 0.00 3.25 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.60 0.00 33 S 7.86 3.95 0.00 4.06 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 34 P 0.00 4.33 0.00 2.32 2.31 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.07 0.00 35 I 7.56 3.76 1.88 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 1.53 1.06 0.91 0.00 0.00 36 T 7.71 3.88 4.52 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 1.36 0.00 0.00 37 M 8.35 4.09 0.00 2.30 2.20 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.70 0.00 38 A 8.34 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.08 3.95 0.00 2.11 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 2.30 2.55 0.00 40 V 7.57 3.26 1.89 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 0.08 0.00 0.00 0.25 0.00 0.00 41 E 8.00 4.04 0.00 2.06 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 2.34 2.52 0.00 42 A 7.95 3.96 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 43 L 7.82 4.00 0.00 1.71 1.74 0.86 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 44 M 7.55 4.62 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 45 S 7.47 4.33 0.00 3.99 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 46 S 8.16 4.54 0.00 3.97 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 47 P 0.00 4.10 0.00 2.24 2.08 0.00 3.55 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 48 L 8.72 4.97 0.00 1.62 1.59 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 49 L 9.05 4.57 0.00 1.76 1.82 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.53 0.00 2.44 2.44 0.00 3.95 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 51 H 8.95 4.13 0.00 3.13 3.20 0.00 5.79 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 52 D 8.00 4.35 0.00 3.00 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 53 V 7.76 3.46 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 0.97 0.00 0.00 0.55 0.00 0.00 54 T 7.84 3.74 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 1.32 0.00 0.00 55 N 7.87 4.25 0.00 2.76 2.81 0.00 0.00 6.72 6.02 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 56 L 7.76 3.77 0.00 1.67 1.64 0.77 0.59 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 57 M 7.56 3.75 0.00 1.43 1.16 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.82 0.00 58 R 7.67 2.56 0.00 1.32 1.78 0.00 3.10 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.04 0.00 59 V 7.63 3.66 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 0.83 0.00 0.00 0.87 0.00 0.00 60 I 7.45 4.08 1.81 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.71 0.87 0.00 0.00 61 L 7.40 4.66 0.00 1.80 1.72 1.02 0.93 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 62 G 8.31 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 0.00 0.00 0.00 63 P 0.00 4.36 0.00 2.21 2.20 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 64 A 8.00 4.01 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 65 P 0.00 4.23 0.00 2.25 2.17 0.00 3.75 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 2.15 2.18 0.00 66 Y 8.64 4.33 0.00 3.12 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 67 A 8.15 3.89 1.43 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 68 L 8.20 3.91 0.00 1.79 1.91 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 69 W 8.66 4.01 0.00 3.55 3.38 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 70 M 8.23 3.74 0.00 2.04 2.08 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 2.05 2.54 0.00 71 D 7.94 4.21 0.00 2.83 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 72 A 7.96 3.90 1.27 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 0.00 0.00 73 W 8.19 4.04 0.00 1.78 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 74 G 7.85 3.38 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 75 V 7.52 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 0.97 0.00 0.00 0.90 0.00 0.00 76 Q 8.04 3.97 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.56 0.00 0.00 0.00 0.00 0.00 2.58 2.75 0.00 77 L 8.06 3.82 0.00 1.40 1.38 -0.53 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.82 3.92 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 79 T 7.78 3.86 4.22 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 1.24 0.00 0.00 80 V 7.42 3.56 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 0.95 0.00 0.00 0.98 0.00 0.00 81 I 7.59 3.72 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.82 0.85 0.00 0.00 82 A 8.13 4.05 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 83 A 8.01 3.91 1.42 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 0.00 0.00 84 A 8.10 3.97 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 85 T 7.59 4.01 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 1.19 0.00 0.00 86 R 7.93 4.32 0.00 1.96 2.05 0.00 3.00 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.73 0.00 87 D 7.91 4.76 0.00 2.75 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 88 P 0.00 4.19 0.00 2.22 2.18 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 89 R 8.35 4.35 0.00 1.78 2.04 0.00 3.28 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 90 H 8.23 4.20 0.00 3.31 3.16 0.00 5.65 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 4.34 0.00 2.24 2.27 0.00 3.31 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 1.90 1.87 0.00 92 A 8.26 4.17 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 93 N 8.02 4.81 0.00 2.98 2.76 0.00 0.00 6.87 7.54 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 94 G 8.12 4.10 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 0.00 0.00 0.00 95 Q 8.68 4.44 0.00 2.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 7.07 0.00 0.00 0.00 0.00 0.00 2.19 1.89 0.00 *99 E 8.23 4.27 0.00 1.91 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 2.21 1.88 0.00 100 R 7.81 4.68 0.00 1.82 1.77 0.00 3.22 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 101 T 8.14 4.47 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 1.15 0.00 0.00 102 N 8.01 5.02 0.00 2.92 2.81 0.00 0.00 5.54 6.67 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 0.00 103 L 8.43 3.77 0.00 1.67 1.63 0.70 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 104 N 8.15 4.29 0.00 2.91 2.84 0.00 0.00 7.11 7.66 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 0.00 105 R 9.02 3.92 0.00 1.95 1.97 0.00 3.12 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 106 L 7.76 4.12 0.00 1.57 1.59 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 107 K 7.88 4.37 0.00 1.75 1.83 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.74 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.91 1.09 7.81 108 G 7.79 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 0.00 0.00 0.00 109 L 8.18 4.41 0.00 1.69 1.71 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.60 4.15 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 0.00 111 D 8.42 4.48 0.00 2.64 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 0.00 112 G 9.18 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 0.00 113 M 8.02 4.54 0.00 2.11 2.33 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 2.50 2.43 0.00 114 V 8.11 3.71 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 0.77 0.00 0.00 0.96 0.00 0.00 115 G 8.83 4.02 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 0.00 116 N 7.86 4.67 0.00 2.72 2.65 0.00 0.00 7.21 7.63 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 0.00 117 P 0.00 3.72 0.00 1.01 0.49 0.00 3.30 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.07 0.00 118 Q 7.90 4.20 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 119 G 9.03 3.62 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 0.00 120 Q 8.13 3.98 0.00 2.25 2.17 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 2.39 2.35 0.00 121 A 7.92 4.05 1.48 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 0.00 0.00 122 A 7.84 4.11 1.40 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 0.00 0.00 0.00 123 L 7.85 4.09 0.00 1.69 1.74 0.98 0.91 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 0.00 124 L 7.50 4.31 0.00 1.79 1.65 0.99 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 125 R 9.79 4.28 0.00 2.08 1.87 0.00 3.19 0.00 0.00 3.23 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 126 P 0.00 4.41 0.00 2.28 2.34 0.00 3.72 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 2.09 2.06 0.00 127 G 8.01 4.22 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 0.00 128 E 8.02 4.03 0.00 2.22 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 2.50 2.43 0.00 129 L 7.89 4.13 0.00 1.92 1.91 0.99 0.90 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 0.00 130 V 7.92 3.59 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 1.05 0.00 0.00 1.02 0.00 0.00 131 A 7.90 4.06 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 0.00 132 I 8.49 3.89 2.21 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.19 1.30 0.00 0.00 133 T 8.44 4.00 4.47 0.00 0.00 0.00 0.00 0.00 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 0.00 134 A 8.75 4.08 1.41 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 0.00 0.00 0.00 135 S 8.99 4.19 0.00 4.38 4.14 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 0.00 136 A 8.54 4.24 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 0.00 137 L 8.26 4.02 0.00 1.93 1.93 0.97 0.65 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 0.00 138 Q 8.47 4.03 0.00 2.36 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 139 A 8.51 4.02 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 0.00 140 F 8.87 4.33 0.00 3.35 3.45 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 0.00 141 R 8.43 4.10 0.00 2.18 2.03 0.00 3.40 0.00 0.00 3.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.08 0.00 142 E 8.29 3.92 0.00 2.19 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 2.60 2.47 0.00 143 V 7.69 3.50 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 0.95 0.00 0.00 1.15 0.00 0.00 144 A 7.65 3.73 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 145 R 7.87 3.96 0.00 1.90 2.17 0.00 3.25 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 146 L 7.85 4.31 0.00 1.63 1.68 0.91 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 147 A 7.64 4.27 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 * Residues marked with a * may have inaccurate shift predictions.