NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 5.2799 8.0932 114.8122 57.7937 64.6344 174.2689 2 L 4.0366 8.5988 121.6656 57.0890 40.7920 177.9744 3 L 3.9356 8.3923 120.5833 58.5910 42.2940 178.7565 4 E 4.0414 8.0955 117.3312 59.4441 29.6166 178.6586 5 F 4.5824 8.4683 120.8857 61.9535 39.5021 177.7690 6 G 3.7629 8.3670 104.8268 47.2420 0.0000 175.4409 7 K 4.1273 7.8875 120.5483 58.9753 32.4112 178.5576 8 M 4.0853 8.5647 119.2543 58.5422 32.1516 178.0725 9 I 3.5293 8.0601 120.2814 64.3615 37.2419 177.8564 10 L 4.1770 7.6506 121.9889 57.8437 41.6328 179.0958 11 E 4.0495 8.3185 117.3129 58.8114 29.3902 178.6533 12 E 4.1576 7.8078 118.6942 58.9727 30.1210 177.9335 13 T 4.3330 8.4318 107.3230 61.5359 69.8098 175.8214 14 G 3.8106 7.8503 110.0812 45.5520 0.0000 173.2422 *16 K 4.4283 7.4444 117.5328 55.9996 33.3324 174.7823 17 L 4.3294 8.0939 121.0114 54.1223 42.6312 177.7728 18 A 4.0932 8.9441 126.8871 55.0905 18.4569 177.1954 19 I 4.4413 7.4696 115.8087 61.2035 38.2270 172.4323 20 P 4.9250 0.0000 0.0000 63.4252 28.3545 175.3784 21 S 4.3822 7.5881 111.6886 60.6775 62.6427 174.9486 22 Y 4.6827 7.8607 114.0106 57.5610 39.0504 176.5649 23 S 4.6263 8.1172 115.4522 60.0406 64.3798 175.0234 24 S 5.1605 7.7898 117.1488 57.0616 62.6770 172.7152 25 Y 4.9953 8.2672 121.6025 58.0714 41.1191 175.8303 26 G 3.4527 7.6690 115.0746 47.2768 0.0000 173.1814 27 C 4.6111 9.6883 116.1603 58.0012 41.0544 174.0561 28 Y 4.3305 8.8848 115.0436 57.9734 39.1131 175.4697 29 C 4.7553 8.2776 118.7431 59.2519 39.1082 173.1961 30 G 4.3475 9.3245 113.3408 46.4968 0.0000 173.0025 31 W 4.7615 8.5129 123.8991 57.9321 33.3140 174.2249 32 G 3.7288 6.7190 104.1788 46.9125 0.0000 173.3076 33 G 4.2637 8.1594 112.3411 46.5507 0.0000 172.4096 34 K 4.3490 7.6284 116.5704 56.4500 34.9979 174.5113 35 G 3.8905 9.4026 106.7040 44.7971 0.0000 172.2032 36 T 4.4783 7.9463 114.6854 60.8796 69.8794 173.3615 37 P 4.6497 0.0000 0.0000 62.7898 31.8492 176.7858 38 K 3.9550 8.5728 120.9541 57.9711 32.6352 176.5282 39 D 4.4536 7.8559 117.2607 51.8361 42.8960 176.9593 40 A 3.8106 7.7915 120.5001 55.1794 19.0070 179.7852 41 T 3.9971 7.9833 113.6860 66.8286 68.6342 176.4172 42 D 4.5987 8.8013 120.0851 57.2569 41.2067 178.4973 43 R 4.0225 8.1217 118.9066 59.0365 29.9675 178.0723 44 C 4.2105 8.5150 116.7135 60.3967 38.4594 175.6435 45 C 4.3309 8.1450 117.9336 59.8160 40.9656 175.8713 46 F 3.8065 8.2351 122.3511 61.3543 38.9909 177.4673 47 V 3.4262 8.3234 118.1758 65.8625 31.2343 177.5847 48 H 3.8680 8.2730 118.5099 59.2575 29.3140 176.9235 49 D 4.1642 8.5884 121.6200 57.6429 40.3867 178.3203 50 C 4.1209 7.6379 116.0232 59.7538 35.6311 175.0602 51 C 4.2750 7.9075 120.3107 59.8440 44.3094 175.2182 52 Y 4.2800 7.9053 118.5413 61.0432 37.1671 178.5915 53 G 3.7317 7.9726 105.9079 47.9014 0.0000 174.5421 54 N 4.7237 7.6348 115.3648 53.0737 39.8580 175.5396 55 L 4.8183 7.5415 119.8524 52.4890 41.9612 174.7437 56 P 4.1756 0.0000 0.0000 65.7196 32.1997 178.6852 *59 D 4.8138 7.8514 115.8281 54.2230 42.6137 175.2475 *61 C 5.3132 7.5150 115.8858 57.1869 42.5981 172.7181 *67 N 4.8737 7.9532 115.2353 52.4470 38.5503 173.2687 68 P 3.9002 0.0000 0.0000 65.3426 31.7905 179.1760 69 K 4.1406 8.0253 116.8315 58.4484 32.1746 178.6404 70 S 4.4809 7.8110 110.6799 58.0779 64.9197 173.5561 71 D 4.5186 8.1267 121.7184 53.5883 41.3951 175.5488 72 R 4.4692 8.4227 125.8789 55.1532 31.4019 174.9187 73 Y 4.9711 7.4992 118.3769 54.9845 41.4236 174.3593 74 K 4.9406 8.5959 118.0247 54.8813 35.6882 175.1725 75 Y 5.5678 8.2196 120.3965 55.5820 41.5757 173.6350 76 K 4.7354 9.2855 118.7515 55.3893 37.0751 174.9897 77 R 5.7068 8.3212 118.7858 53.9722 31.5701 176.4227 78 V 3.7177 8.8096 124.4308 65.5844 31.2333 175.5117 79 N 4.8801 7.5131 113.5468 52.7997 41.6703 175.0979 80 G 3.9917 7.8207 109.0971 45.6993 0.0000 173.4293 81 A 4.1240 7.8475 123.1039 52.2458 19.0504 175.8496 82 I 4.7600 8.1163 122.2707 60.1558 38.9221 175.5589 83 V 4.3908 8.7225 126.0953 61.2320 34.4841 173.6443 84 C 4.9736 8.8970 126.1038 56.7647 40.7518 173.5605 85 E 4.4712 8.9448 123.8793 55.2785 30.2601 176.8460 86 K 3.9866 8.6374 123.9278 56.7915 33.5220 175.8889 *88 G 4.2707 8.2787 113.9092 45.4620 0.0000 172.7442 89 T 4.2739 8.9509 114.4540 60.9581 71.1937 175.8588 90 S 4.1073 8.5021 116.5002 61.8403 62.8622 177.2268 91 C 4.2100 8.1211 119.5088 59.8812 38.7735 175.7043 92 E 4.0042 8.0836 119.8287 59.5511 29.0398 179.3298 93 N 4.2847 8.1506 116.4524 56.4378 38.5409 177.7984 94 R 3.9494 7.9386 119.2460 58.7989 30.2281 179.2390 95 I 3.6819 8.1033 120.4058 64.3425 37.1753 177.3187 96 C 2.9961 7.9535 119.6459 59.4606 37.9553 175.6213 97 E 3.7705 8.1014 120.0322 59.4136 28.9360 178.6689 98 C 4.2520 7.8685 116.8935 59.8918 36.0541 175.8889 99 D 4.0975 7.8572 120.2564 56.9805 40.4622 178.4729 100 K 3.7548 8.0103 119.9636 59.3985 32.0466 178.5291 101 A 3.8281 7.6806 120.5358 55.2370 18.2708 179.3476 102 A 3.4410 7.6437 118.5671 55.0726 18.2670 179.8166 103 A 3.8131 7.8137 119.0018 55.2528 18.4664 179.8845 104 I 3.5751 7.5148 118.2841 64.7994 37.0126 177.6989 105 C 4.1007 8.3980 118.1107 59.9213 42.9090 175.4525 106 F 4.6389 8.0627 119.6168 60.5923 38.0902 177.7067 107 R 4.0446 8.3394 118.6140 59.2680 29.7161 177.8952 108 Q 4.2538 8.2553 117.5808 57.5363 29.3608 175.8671 109 N 5.1262 7.6869 114.6578 53.2884 40.2822 176.1493 110 L 4.1521 7.9250 121.9856 57.8568 41.7551 179.2287 111 N 4.5473 8.2741 114.6682 54.8624 37.3789 175.4339 112 T 4.5525 7.6752 107.4872 61.0861 69.4739 173.6393 113 Y 4.0825 7.9680 124.5708 58.2358 39.3043 174.8459 114 S 4.8671 8.8150 121.2677 56.2004 65.0917 175.0293 115 K 4.1956 8.6689 126.5110 58.7322 32.1090 178.9016 116 K 3.9801 7.7258 116.7315 58.7393 32.7887 176.9827 117 Y 4.4244 7.0908 117.0408 57.8436 38.0297 175.1170 118 M 4.4564 7.6016 120.5903 56.0814 32.6953 176.0252 119 L 3.6787 8.4782 121.2794 55.6109 40.0654 174.6646 120 Y 4.1894 8.0749 118.1693 56.9944 39.6826 173.7124 121 P 4.4251 0.0000 0.0000 62.1999 32.6106 176.8697 122 D 4.3220 8.8443 121.9975 57.2813 41.2969 178.2428 *124 F 4.7689 7.8204 110.9432 56.5553 39.5581 175.2213 125 L 3.8408 6.7485 118.5711 54.7296 41.1163 176.4403 126 C 4.8463 7.9888 118.2801 54.8351 39.2198 172.4031 127 K 4.6310 8.1939 123.1161 55.1101 34.7030 176.3187 128 G 4.0903 8.8092 110.5268 45.1223 0.0000 172.7361 129 E 4.8366 8.4175 120.6236 54.8960 31.0740 175.6855 130 L 4.7619 8.1914 122.0239 53.1609 45.2202 176.1359 131 K 4.1930 8.5234 125.0943 56.3258 33.0686 177.8149 *133 C 4.8859 8.5760 118.6526 57.4605 41.5269 173.7200 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 8.09 5.28 0.00 4.24 4.09 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 0.00 0.00 0.00 0.00 2 L 8.60 4.04 0.00 1.81 1.93 1.06 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.39 3.94 0.00 1.76 1.68 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.10 4.04 0.00 1.96 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 0.00 2.07 2.35 0.00 5 F 8.47 4.58 0.00 3.34 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 6 G 8.37 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 7 K 7.89 4.13 0.00 1.93 2.04 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.59 1.51 7.81 8 M 8.56 4.09 0.00 2.31 2.02 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 2.35 2.51 0.00 9 I 8.06 3.53 1.83 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.15 0.63 0.00 0.00 10 L 7.65 4.18 0.00 1.79 1.92 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.32 4.05 0.00 2.17 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 2.40 2.70 0.00 12 E 7.81 4.16 0.00 2.14 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 0.00 2.40 2.36 0.00 13 T 8.43 4.33 4.27 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 1.21 0.00 0.00 14 G 7.85 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *16 K 7.44 4.43 0.00 1.82 1.60 0.00 1.43 0.00 0.00 0.98 0.00 0.00 2.54 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.27 7.81 17 L 8.09 4.33 0.00 1.70 1.69 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.94 4.09 1.28 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 19 I 7.47 4.44 1.92 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.70 0.96 0.00 0.00 20 P 0.00 4.92 0.00 2.09 2.53 0.00 3.70 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 1.87 2.01 0.00 21 S 7.59 4.38 0.00 3.71 3.32 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 22 Y 7.86 4.68 0.00 2.92 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 23 S 8.12 4.63 0.00 4.13 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 0.00 24 S 7.79 5.16 0.00 4.03 4.09 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 0.00 0.00 0.00 0.00 25 Y 8.27 5.00 0.00 2.97 2.86 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 26 G 7.67 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 0.00 0.00 0.00 27 C 9.69 4.61 0.00 3.09 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 28 Y 8.88 4.33 0.00 3.37 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 29 C 8.28 4.76 0.00 3.51 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.32 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 0.00 0.00 0.00 0.00 31 W 8.51 4.76 0.00 3.28 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 32 G 6.72 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 33 G 8.16 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 34 K 7.63 4.35 0.00 1.86 1.84 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.44 7.81 35 G 9.40 3.89 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 0.00 0.00 0.00 36 T 7.95 4.48 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 1.14 0.00 0.00 37 P 0.00 4.65 0.00 1.89 2.03 0.00 3.42 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.62 0.00 38 K 8.57 3.95 0.00 0.79 1.13 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.18 0.39 7.81 39 D 7.86 4.45 0.00 2.88 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 40 A 7.79 3.81 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 41 T 7.98 4.00 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 1.00 0.00 0.00 42 D 8.80 4.60 0.00 3.04 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 43 R 8.12 4.02 0.00 2.08 1.96 0.00 3.13 0.00 0.00 3.07 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 44 C 8.52 4.21 0.00 3.25 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.15 4.33 0.00 3.37 3.51 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 0.00 0.00 0.00 0.00 46 F 8.24 3.81 0.00 2.63 3.03 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 0.00 0.00 0.00 47 V 8.32 3.43 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 0.85 0.00 0.00 0.98 0.00 0.00 48 H 8.27 3.87 0.00 3.13 3.30 0.00 5.65 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 49 D 8.59 4.16 0.00 2.71 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.64 4.12 0.00 2.79 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 51 C 7.91 4.27 0.00 3.00 2.95 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 0.00 0.00 0.00 52 Y 7.91 4.28 0.00 3.08 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.97 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 54 N 7.63 4.72 0.00 2.61 2.82 0.00 0.00 6.82 7.78 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 55 L 7.54 4.82 0.00 1.59 1.50 0.86 0.82 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 56 P 0.00 4.18 0.00 2.18 2.28 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.96 0.00 *59 D 7.85 4.81 0.00 2.76 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 *61 C 7.52 5.31 0.00 2.87 3.02 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 *67 N 7.95 4.87 0.00 2.73 2.76 0.00 0.00 7.58 8.03 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 68 P 0.00 3.90 0.00 1.12 0.49 0.00 3.41 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.35 0.00 69 K 8.03 4.14 0.00 1.83 1.91 0.00 1.61 0.00 0.00 1.90 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.63 1.43 7.81 70 S 7.81 4.48 0.00 3.94 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 71 D 8.13 4.52 0.00 2.71 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 72 R 8.42 4.47 0.00 1.80 1.88 0.00 3.16 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 73 Y 7.50 4.97 0.00 3.06 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 74 K 8.60 4.94 0.00 1.75 1.82 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.44 1.36 7.81 75 Y 8.22 5.57 0.00 3.14 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 76 K 9.29 4.74 0.00 1.81 1.90 0.00 1.27 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.45 7.81 77 R 8.32 5.71 0.00 1.73 1.94 0.00 3.56 0.00 0.00 3.89 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.55 0.00 78 V 8.81 3.72 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 0.81 0.00 0.00 0.95 0.00 0.00 79 N 7.51 4.88 0.00 2.70 2.66 0.00 0.00 6.66 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 80 G 7.82 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 81 A 7.85 4.12 1.28 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 82 I 8.12 4.76 1.84 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 1.20 0.63 0.80 0.00 0.00 83 V 8.72 4.39 2.15 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 1.01 0.00 0.00 0.97 0.00 0.00 84 C 8.90 4.97 0.00 2.88 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 85 E 8.94 4.47 0.00 2.14 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 2.37 2.31 0.00 86 K 8.64 3.99 0.00 1.80 1.70 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.45 7.81 *88 G 8.28 4.27 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 0.00 89 T 8.95 4.27 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 1.30 0.00 0.00 90 S 8.50 4.11 0.00 4.05 4.16 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 91 C 8.12 4.21 0.00 2.97 3.14 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 92 E 8.08 4.00 0.00 2.33 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 93 N 8.15 4.28 0.00 2.72 2.82 0.00 0.00 7.04 7.75 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 94 R 7.94 3.95 0.00 1.82 1.91 0.00 3.09 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 95 I 8.10 3.68 1.83 0.00 0.00 0.81 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 1.21 0.94 0.00 0.00 96 C 7.95 3.00 0.00 1.79 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 97 E 8.10 3.77 0.00 1.93 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 2.40 2.43 0.00 98 C 7.87 4.25 0.00 3.06 2.94 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 99 D 7.86 4.10 0.00 2.81 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 0.00 100 K 8.01 3.75 0.00 1.71 1.87 0.00 1.58 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.40 7.81 101 A 7.68 3.83 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 0.00 102 A 7.64 3.44 1.14 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 0.00 103 A 7.81 3.81 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 0.00 104 I 7.51 3.58 1.94 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 1.48 0.78 0.88 0.00 0.00 105 C 8.40 4.10 0.00 2.88 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 0.00 106 F 8.06 4.64 0.00 3.07 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.34 4.04 0.00 1.95 2.09 0.00 3.31 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 108 Q 8.26 4.25 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 109 N 7.69 5.13 0.00 2.90 2.82 0.00 0.00 6.85 6.62 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 0.00 110 L 7.93 4.15 0.00 1.91 1.76 0.97 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.27 4.55 0.00 2.86 2.99 0.00 0.00 5.84 7.71 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 0.00 112 T 7.68 4.55 4.32 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 1.26 0.00 0.00 113 Y 7.97 4.08 0.00 3.05 2.95 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 0.00 0.00 0.00 114 S 8.82 4.87 0.00 3.96 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.67 4.20 0.00 1.88 1.86 0.00 1.76 0.00 0.00 1.90 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.67 1.59 7.81 116 K 7.73 3.98 0.00 1.62 1.68 0.00 1.15 0.00 0.00 1.44 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.33 0.44 7.81 117 Y 7.09 4.42 0.00 1.62 1.84 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 0.00 118 M 7.60 4.46 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.66 0.00 119 L 8.48 3.68 0.00 1.79 1.73 0.92 0.63 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 0.00 120 Y 8.07 4.19 0.00 2.99 3.02 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 0.00 121 P 0.00 4.43 0.00 2.35 2.03 0.00 2.24 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.96 0.00 122 D 8.84 4.32 0.00 2.70 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 *124 F 7.82 4.77 0.00 3.23 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 6.75 3.84 0.00 1.01 1.43 0.44 0.17 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 0.00 126 C 7.99 4.85 0.00 3.08 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 0.00 127 K 8.19 4.63 0.00 1.78 1.69 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.35 7.81 128 G 8.81 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.42 4.84 0.00 2.02 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 2.33 2.28 0.00 130 L 8.19 4.76 0.00 1.51 1.45 0.09 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.52 4.19 0.00 1.95 1.75 0.00 1.67 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.55 1.55 7.81 *133 C 8.58 4.89 0.00 2.92 2.94 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 * Residues marked with a * may have inaccurate shift predictions.