NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 T 4.3694 8.1593 112.9198 59.9563 69.7697 176.5509 2 P 4.3717 0.0000 0.0000 63.2671 32.4360 175.1849 3 Q 4.5264 8.3367 117.9393 55.9906 30.9081 176.4783 4 N 4.9502 7.4604 115.2635 50.5257 41.6362 174.9106 5 I 3.6723 8.2350 120.3597 64.4183 37.7624 178.0666 6 T 3.8675 7.7905 116.3132 66.7373 68.1497 176.2880 7 D 4.3634 7.9373 119.2924 57.1094 40.7325 178.1256 8 L 4.1551 7.9546 120.8309 58.0188 41.8977 178.1832 9 C 4.3188 8.0920 118.2743 59.2912 43.3725 174.9982 10 A 3.9218 7.4866 120.6855 54.0796 18.0327 178.6384 11 E 3.9951 7.8166 115.0862 56.9101 30.0500 176.2028 12 Y 4.7455 7.0452 115.8421 56.0583 40.9045 175.2805 13 H 4.5455 8.7919 119.6670 56.7447 30.1615 174.6562 14 N 4.3628 8.9461 116.6624 55.0888 35.5362 173.7510 15 T 5.6844 8.0124 105.5666 59.1361 72.7010 173.5971 16 Q 4.6509 8.1945 118.8820 54.9817 32.2261 173.3228 17 I 4.4789 8.2786 121.9862 61.2950 38.5243 174.7697 18 H 4.8359 8.9059 123.5682 54.3162 31.3851 173.3720 19 T 4.4490 8.5387 120.1401 62.5320 69.0022 173.8705 20 L 4.0857 8.4264 126.6916 55.1597 42.9535 177.8195 21 N 4.1820 7.9183 113.2884 53.2647 36.4393 173.3726 22 D 4.7475 7.7661 115.0807 52.6992 45.1048 174.5806 23 K 4.8564 8.4390 123.4896 55.8502 33.5036 176.7486 24 I 3.2994 8.2124 121.6265 61.3223 37.5069 176.2418 25 F 4.7291 8.6695 128.9026 61.1666 40.0319 175.3896 26 S 4.2485 7.5381 110.6444 57.0344 66.6336 173.0787 27 Y 4.7185 7.6847 121.8238 56.2979 40.9696 174.4586 28 T 4.5304 8.4930 123.7097 61.9731 71.6989 173.3279 29 E 4.8930 8.1271 123.7718 54.9861 33.2436 174.1341 30 S 4.6635 8.8865 120.9715 56.4580 65.6759 173.9039 31 L 4.4660 8.6575 125.7088 55.2931 41.0646 176.5228 32 A 4.0103 8.3353 123.6734 53.5800 20.5285 180.3391 33 G 3.3268 7.9522 104.8571 45.4493 0.0000 176.2220 34 K 4.4441 9.1738 119.4643 56.1639 33.0395 177.1813 35 R 4.6525 7.6376 116.4313 55.4229 30.2832 178.3503 36 E 4.9585 7.9449 118.9049 54.9159 29.6307 177.0374 37 M 4.9099 7.9154 120.9482 53.9784 35.6519 173.2610 38 A 4.9272 8.4135 117.8767 50.1920 22.8590 175.2257 39 I 5.0498 8.2310 121.6960 59.3520 40.9030 174.8116 40 I 5.5768 9.2203 118.7880 58.2467 41.1876 174.2753 41 T 5.5805 7.8278 110.0997 59.2496 72.7665 172.0069 42 F 5.2846 8.6577 121.4814 55.8984 43.0365 177.2710 43 K 3.5325 8.3642 119.1790 57.6517 31.3849 175.7836 44 N 4.5521 8.1214 113.0564 53.5486 37.3709 175.6926 45 G 3.9171 8.1471 108.3426 45.1283 0.0000 174.1019 46 A 3.9808 8.2698 122.3674 52.7034 19.2658 176.7470 47 T 4.9548 7.7697 117.8538 61.8141 72.0906 173.5794 48 F 5.2744 8.9737 122.4814 56.1841 43.5456 173.4765 49 Q 5.1614 9.0559 120.3481 54.5424 32.1494 174.3264 50 V 4.6525 8.4611 121.1361 61.3237 33.0787 175.3172 51 E 4.6615 8.8565 127.2658 55.5161 30.4145 176.9642 52 V 3.9672 8.1973 122.3228 61.8418 32.2374 174.1518 53 P 4.4419 0.0000 0.0000 63.0988 32.1485 175.8861 54 G 4.0218 8.1299 111.0555 45.0048 0.0000 172.6947 55 S 4.3371 8.5071 112.9671 59.8331 63.4486 174.8742 56 Q 4.0610 7.8138 118.0840 57.4845 28.8082 175.2832 57 H 5.0870 7.6098 116.6390 53.7711 30.9737 174.1935 58 I 4.1417 8.1032 117.9262 60.2234 38.5264 176.8063 59 D 4.4351 8.5591 120.2372 57.1723 40.8180 179.2332 60 S 4.2483 8.0629 113.3537 60.8426 63.6845 176.1875 61 Q 4.1326 8.1357 122.8825 58.6110 28.3807 178.8013 *62 K 3.9506 7.8966 127.9952 60.7063 31.8090 184.5656 *63 K 4.3324 8.0386 124.3065 59.4100 31.8613 180.7728 64 A 4.3233 7.5466 120.9033 54.6064 18.3503 179.9651 65 I 3.7287 7.6653 118.6425 64.6429 37.3335 178.2878 66 E 4.0291 7.8067 118.0772 59.3988 29.2110 179.5020 67 R 3.9327 7.9818 118.5831 59.5571 30.1615 178.2610 68 M 4.0814 8.0381 117.7599 58.5284 32.0694 178.3855 69 K 4.2030 8.1243 118.4055 59.3091 32.1325 179.0796 70 D 4.3875 7.9871 118.9671 57.6664 40.6985 178.9526 71 T 3.9610 8.0680 116.3504 66.4972 68.4310 177.0158 72 L 4.0948 8.0322 121.0749 57.5791 41.6947 179.4807 73 R 3.0247 7.6533 118.8305 59.2498 29.8871 178.5172 74 I 3.7000 7.5700 117.8471 63.6891 37.9133 177.7272 75 A 3.9916 8.0563 122.0748 55.1042 18.0775 178.9352 76 Y 4.0198 8.1592 118.1147 60.6709 38.7442 177.5182 77 L 4.1986 7.5624 116.4446 55.0142 42.0801 177.1476 78 T 4.3896 7.1379 107.7688 60.2596 69.6360 173.6448 79 E 3.6537 7.7364 120.2419 57.2561 27.3843 174.4561 80 A 4.1205 7.8272 120.6970 51.6587 19.5967 177.8714 81 K 4.2729 8.8303 124.4272 56.8862 33.5978 175.7439 82 V 4.2703 8.4364 121.2503 60.4705 33.2337 176.2500 83 E 4.0526 9.2989 128.0565 58.2943 30.2140 176.2296 84 K 5.1489 8.0513 115.7317 54.5466 37.6580 174.6667 85 L 4.9609 8.2494 120.7187 53.0449 45.0370 175.2068 86 C 4.8560 8.4521 125.3475 56.3246 41.4573 172.8495 87 V 4.8589 8.2748 117.7103 59.5022 36.5516 174.0818 88 W 5.5488 9.2095 121.4464 54.7388 30.1809 176.9911 89 N 4.4158 9.0926 122.3095 52.7855 37.7544 174.8379 90 N 4.8896 8.2111 119.0932 53.3801 38.1115 175.3733 91 K 4.7190 7.7784 117.7709 54.3378 35.8089 178.1270 92 T 4.6429 8.2222 115.7308 61.2314 70.9630 172.5011 93 P 4.5854 0.0000 0.0000 62.4991 32.8430 175.6339 94 H 4.7115 8.8107 116.6488 56.3102 29.8334 174.7165 95 A 4.8964 8.7758 125.9896 51.1024 19.7358 176.7556 96 I 3.9112 8.8950 124.9115 62.2196 36.9931 176.0838 97 A 4.3335 8.3341 128.2885 52.8675 20.5189 176.1056 98 A 4.3961 7.2410 114.5996 51.5655 22.6852 175.0288 99 I 4.8788 8.1172 118.4521 59.5573 41.3146 174.1780 100 S 4.9113 8.7660 121.5115 56.9507 66.7697 172.6581 101 M 5.0894 8.5045 119.1422 53.7376 35.8140 175.1575 102 A 4.2366 8.0100 127.0203 52.3960 19.4990 175.5694 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 T 8.16 4.37 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 2 P 0.00 4.37 0.00 2.26 2.09 0.00 3.72 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 2.01 2.17 0.00 3 Q 8.34 4.53 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 4 N 7.46 4.95 0.00 2.84 2.86 0.00 0.00 5.85 7.65 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 5 I 8.23 3.67 1.83 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 1.56 1.24 0.87 0.00 0.00 6 T 7.79 3.87 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 1.19 0.00 0.00 7 D 7.94 4.36 0.00 2.62 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 8 L 7.95 4.16 0.00 1.85 1.81 0.95 0.74 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 9 C 8.09 4.32 0.00 3.21 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 10 A 7.49 3.92 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 11 E 7.82 4.00 0.00 2.01 1.61 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 2.27 2.52 0.00 12 Y 7.05 4.75 0.00 2.85 3.05 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 13 H 8.79 4.55 0.00 3.25 3.32 0.00 6.03 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.95 4.36 0.00 3.18 3.05 0.00 0.00 6.46 7.05 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 15 T 8.01 5.68 4.12 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 1.01 0.00 0.00 16 Q 8.19 4.65 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.11 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 17 I 8.28 4.48 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.78 0.86 0.00 0.00 18 H 8.91 4.84 0.00 2.93 3.18 0.00 5.59 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.54 4.45 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 1.17 0.00 0.00 20 L 8.43 4.09 0.00 1.41 1.34 0.61 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.92 4.18 0.00 2.77 2.81 0.00 0.00 6.61 8.06 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 22 D 7.77 4.75 0.00 2.90 2.57 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 0.00 0.00 0.00 0.00 23 K 8.44 4.86 0.00 1.97 1.96 0.00 1.24 0.00 0.00 0.83 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.53 7.81 24 I 8.21 3.30 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.58 0.87 0.00 0.00 25 F 8.67 4.73 0.00 3.06 3.22 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 26 S 7.54 4.25 0.00 3.69 3.59 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 27 Y 7.68 4.72 0.00 2.38 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 0.00 0.00 0.00 0.00 28 T 8.49 4.53 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 1.09 0.00 0.00 29 E 8.13 4.89 0.00 1.65 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 0.00 2.18 2.30 0.00 30 S 8.89 4.66 0.00 3.85 3.69 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 31 L 8.66 4.47 0.00 1.76 1.74 0.92 0.53 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 32 A 8.34 4.01 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 33 G 7.95 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 0.00 0.00 0.00 34 K 9.17 4.44 0.00 1.74 1.81 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.37 1.38 7.81 35 R 7.64 4.65 0.00 1.76 1.84 0.00 3.30 0.00 0.00 3.21 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 36 E 7.94 4.96 0.00 1.97 1.90 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 2.37 2.35 0.00 37 M 7.92 4.91 0.00 2.03 2.27 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.70 0.00 38 A 8.41 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.23 5.05 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.57 0.90 0.00 0.00 40 I 9.22 5.58 1.76 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.87 0.97 0.00 0.00 41 T 7.83 5.58 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 1.22 0.00 0.00 42 F 8.66 5.28 0.00 3.30 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 43 K 8.36 3.53 0.00 1.84 1.73 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.25 7.81 44 N 8.12 4.55 0.00 2.83 2.97 0.00 0.00 6.24 7.00 0.00 0.00 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 G 8.15 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 46 A 8.27 3.98 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 47 T 7.77 4.95 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 1.14 0.00 0.00 48 F 8.97 5.27 0.00 3.04 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 49 Q 9.06 5.16 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 50 V 8.46 4.65 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 1.00 0.00 0.00 1.00 0.00 0.00 51 E 8.86 4.66 0.00 2.01 1.92 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 2.35 2.25 0.00 52 V 8.20 3.97 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 0.96 0.00 0.00 0.99 0.00 0.00 53 P 0.00 4.44 0.00 2.10 2.03 0.00 3.75 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 2.05 2.12 0.00 54 G 8.13 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 55 S 8.51 4.34 0.00 3.96 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 56 Q 7.81 4.06 0.00 1.95 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.72 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 57 H 7.61 5.09 0.00 3.29 3.18 0.00 5.67 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.10 4.14 1.90 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 1.52 0.91 0.94 0.00 0.00 59 D 8.56 4.44 0.00 2.82 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 60 S 8.06 4.25 0.00 4.03 4.15 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 61 Q 8.14 4.13 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.77 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 *62 K 7.90 3.95 0.00 1.70 1.84 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.35 7.81 *63 K 8.04 4.33 0.00 1.75 1.85 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.07 7.81 64 A 7.55 4.32 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 I 7.67 3.73 2.03 0.00 0.00 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 1.50 1.13 0.93 0.00 0.00 66 E 7.81 4.03 0.00 2.21 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 2.52 2.48 0.00 67 R 7.98 3.93 0.00 1.93 2.09 0.00 3.10 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 68 M 8.04 4.08 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.66 0.00 69 K 8.12 4.20 0.00 1.95 1.96 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.52 1.69 7.81 70 D 7.99 4.39 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 71 T 8.07 3.96 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 1.23 0.00 0.00 72 L 8.03 4.09 0.00 1.94 1.92 1.05 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.65 3.02 0.00 1.47 1.86 0.00 2.98 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.06 0.00 74 I 7.57 3.70 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 1.01 0.00 0.00 75 A 8.06 3.99 1.45 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 0.00 0.00 76 Y 8.16 4.02 0.00 3.07 3.01 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.56 4.20 0.00 1.67 1.59 0.87 0.84 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 78 T 7.14 4.39 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 1.19 0.00 0.00 79 E 7.74 3.65 0.00 2.04 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 2.06 2.11 0.00 80 A 7.83 4.12 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 81 K 8.83 4.27 0.00 1.88 1.74 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.54 1.51 7.81 82 V 8.44 4.27 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 1.08 0.00 0.00 1.00 0.00 0.00 83 E 9.30 4.05 0.00 2.04 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 2.27 2.27 0.00 84 K 8.05 5.15 0.00 1.71 1.61 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.34 7.81 85 L 8.25 4.96 0.00 1.10 1.19 0.12 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.45 4.86 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 87 V 8.27 4.86 2.32 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 0.70 0.00 0.00 1.16 0.00 0.00 88 W 9.21 5.55 0.00 3.39 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 89 N 9.09 4.42 0.00 2.63 2.95 0.00 0.00 6.27 8.04 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 90 N 8.21 4.89 0.00 2.86 3.00 0.00 0.00 5.75 7.13 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 91 K 7.78 4.72 0.00 1.74 1.54 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.25 1.02 7.81 92 T 8.22 4.64 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 1.22 0.00 0.00 93 P 0.00 4.59 0.00 2.04 2.01 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 94 H 8.81 4.71 0.00 3.35 3.52 0.00 5.63 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 95 A 8.78 4.90 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.89 3.91 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.67 0.90 0.00 0.00 97 A 8.33 4.33 -0.15 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 98 A 7.24 4.40 1.07 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 99 I 8.12 4.88 1.84 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.04 0.90 0.00 0.00 100 S 8.77 4.91 0.00 3.90 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 0.00 101 M 8.50 5.09 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 102 A 8.01 4.24 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.