NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 H 4.5866 8.4444 117.8216 55.6657 30.2394 174.2045 *5 K 4.4093 8.7619 130.6203 57.6524 33.6837 176.7669 6 H 4.0515 8.0397 115.5031 59.2539 28.5724 177.6862 7 T 3.8594 7.7951 116.9024 66.6093 68.2880 176.5078 8 E 3.9166 7.9811 120.0817 59.1462 29.3584 178.9839 9 L 3.8248 8.0787 119.3503 57.9075 41.6403 179.7346 10 R 3.8887 7.9163 117.4053 59.3066 30.0140 178.8382 11 A 3.9064 8.0414 120.2163 55.2209 18.2858 179.5436 12 A 3.8564 7.9023 119.0125 55.2574 18.4961 180.0667 13 V 3.4621 7.4082 116.6065 66.0146 31.5787 178.0759 14 L 3.8442 8.0570 118.9176 57.9475 41.5873 179.2343 15 D 4.1774 8.2800 118.6950 57.4550 40.4793 178.9026 16 A 4.0004 7.9273 121.0418 55.0525 18.3265 179.6559 17 L 4.1111 7.9494 117.6456 57.5760 41.5601 178.8627 18 E 4.1043 7.7215 118.1229 58.0914 29.6094 177.9779 19 K 4.1072 7.6847 118.7706 58.9675 32.3381 177.7161 20 H 4.4560 7.7337 116.6857 57.1512 30.2741 174.9859 21 D 4.7255 7.7437 118.4861 52.9749 43.9695 174.7089 22 T 4.5924 8.6412 115.3208 61.6180 69.8686 175.7945 23 G 3.8741 8.1827 112.1772 49.0867 0.0000 174.0968 24 A 4.5355 8.1709 120.1817 51.5600 20.1515 176.6906 25 T 4.4238 8.3013 115.2662 61.7844 70.5718 174.2975 26 F 5.0903 8.8495 125.6785 57.3912 40.1404 175.2384 27 F 4.7391 9.6945 121.4494 55.7712 42.5681 174.0258 28 D 4.6350 8.8985 123.5979 56.3060 40.7920 176.1947 29 G 4.0882 9.1381 113.1009 44.8500 0.0000 171.6250 30 R 3.7109 7.7932 121.4670 54.8221 30.4241 174.5996 31 P 4.3181 0.0000 0.0000 61.4019 33.3284 174.0416 32 A 4.2459 7.8370 120.1057 54.2883 20.7452 177.9812 33 V 3.9285 7.1483 111.9028 60.3524 32.5561 177.7188 34 F 4.9182 8.2880 120.9322 55.1619 42.7920 174.0253 35 D 4.7094 9.6792 126.6137 53.4063 41.6518 178.2989 36 E 4.1122 9.0399 120.6317 58.9925 30.2331 175.2022 37 A 4.2265 8.0252 120.0206 55.4777 18.7756 178.9667 38 D 4.4752 8.2184 115.2608 57.4770 41.0893 178.1041 39 F 4.4505 6.8403 116.0982 56.7663 39.5690 173.1533 40 P 4.5366 0.0000 0.0000 62.3404 32.2714 175.1295 41 A 5.1540 8.5238 125.8664 50.1871 22.1990 175.5499 42 V 4.9709 8.4997 119.0679 61.1241 35.2115 174.0610 43 A 5.5659 9.4453 129.3387 50.2270 22.1855 174.7248 44 V 5.0257 8.6507 122.2999 61.3300 34.0171 174.1759 45 Y 5.1953 8.3169 124.4346 56.2923 41.7243 173.1510 46 L 5.5008 8.6604 119.6381 53.3520 44.5556 176.0552 47 T 4.6363 8.5124 111.3215 60.4093 72.7810 174.0784 48 G 3.9684 9.0913 108.7216 46.2929 0.0000 173.4476 49 A 4.6296 8.3389 122.5912 52.3857 18.7457 177.5849 50 E 4.5814 9.5620 120.9754 54.5855 33.5619 174.4494 51 Y 3.1783 7.4021 123.2707 57.6160 38.7866 175.2448 52 T 3.9133 9.8631 117.1717 61.1374 70.9576 175.4798 53 G 3.3222 6.0412 108.8263 44.4222 0.0000 171.2528 54 E 3.6028 8.5318 123.3754 57.8704 29.7994 177.6264 *58 S 4.7871 8.5246 120.5714 59.0578 63.2397 171.0270 59 D 5.2260 8.2959 127.4080 50.9620 40.7449 170.4226 60 T 4.3425 8.4412 119.2461 63.5922 70.0215 173.6793 61 W 5.2139 9.2959 125.6044 54.9464 33.8495 173.8241 62 Q 5.0958 8.9179 120.0142 55.4283 32.4520 172.9942 63 A 4.9082 9.0541 125.1564 51.4862 23.9499 174.3779 64 E 4.9529 9.2408 120.9143 54.5645 31.7079 174.4151 65 L 4.7380 9.4324 130.7106 54.4644 43.7354 174.7638 66 H 5.1403 9.0170 123.8048 54.0864 31.9004 173.7991 67 I 4.5631 8.7264 122.6472 59.6389 40.2412 173.1663 68 E 4.9721 9.1775 128.9149 54.0659 31.8386 174.6921 69 V 4.5915 8.0941 127.1208 60.3240 33.7755 174.8897 70 F 4.9941 9.4980 123.8651 55.8132 41.9879 174.5544 71 L 4.6506 8.4884 120.7373 52.1952 46.7404 173.9342 72 P 4.2171 0.0000 0.0000 62.3989 32.0181 177.5250 73 A 3.8275 8.1759 124.0752 55.4173 18.1277 178.8843 74 Q 3.8937 8.3365 114.9606 59.1931 29.1376 178.0514 75 V 3.6513 7.2162 116.6459 62.3576 32.2311 173.6769 76 P 4.5347 0.0000 0.0000 61.7195 32.7057 176.5757 77 A 3.9715 8.6628 121.7705 56.0457 18.0080 180.4143 78 S 4.1298 8.0696 112.7237 61.6525 63.0106 176.3572 79 E 4.1683 8.3982 122.2374 59.0721 29.1088 178.9595 80 L 4.1202 7.8936 117.9403 57.8791 41.9542 178.4853 81 D 4.8893 8.5972 118.8092 56.8757 41.1104 178.3893 82 A 4.2765 8.6812 121.4931 54.9391 18.2640 179.7235 83 W 3.8234 8.2320 124.5701 59.5391 30.2864 177.8451 *85 E 4.3508 8.0816 115.0209 54.9656 31.3167 180.2940 86 S 4.7398 8.0656 110.9964 58.3056 64.3259 174.9997 87 R 4.4394 8.1682 117.9883 55.8967 32.0220 175.5592 88 I 4.2928 7.3500 116.7172 62.6286 39.1572 177.0443 89 Y 4.1685 8.1794 118.3705 61.1346 38.1607 176.3946 90 P 4.4521 0.0000 0.0000 65.9436 31.6032 180.0138 91 V 3.7558 7.6681 117.8184 62.6676 30.4770 177.7655 *93 S 4.3747 8.1067 114.5133 57.6531 64.6698 173.1245 94 D 4.3903 8.0281 120.0417 53.6480 42.6345 174.6423 95 I 4.5557 7.8481 128.5523 57.1329 37.9012 173.9888 96 P 4.1651 0.0000 0.0000 66.1213 30.7946 178.2423 97 A 3.9612 7.8494 118.8231 54.8361 18.6627 178.9176 98 L 3.9752 8.0512 118.8995 58.2887 42.2599 178.9517 99 S 4.0937 8.0458 112.6249 61.6669 62.0416 175.7565 100 D 4.4454 8.0403 120.3750 56.7476 40.5911 178.0586 101 L 4.3111 7.7926 118.9249 55.1588 42.0700 176.1754 102 I 4.6746 7.0297 110.4163 59.2694 40.0954 174.7873 103 T 4.6331 8.2067 109.2177 62.0320 70.5183 173.8737 104 S 4.5600 7.7131 115.6282 57.8953 66.2419 174.8141 *106 V 4.3797 7.9144 117.9303 61.3024 32.5707 175.1818 107 A 4.1154 8.8027 124.1407 52.8071 18.6787 175.4549 108 S 4.4213 8.7744 111.8729 58.7548 64.0229 174.6576 109 G 4.2555 8.3865 103.6229 45.3079 0.0000 170.0054 110 Y 4.9631 8.3233 120.1935 56.4737 41.5233 173.1214 111 D 4.8745 8.4821 126.5100 52.5749 45.1260 174.6636 112 Y 4.8537 8.4770 119.0605 56.7285 39.3022 175.2905 113 R 4.8955 8.8827 122.8801 54.4811 34.3834 174.7109 114 R 4.6572 8.3766 118.3788 54.3660 34.8935 174.2515 115 D 3.6353 7.2665 119.1527 53.0021 41.5235 176.3869 116 D 4.5434 8.7523 128.1201 55.7312 41.8034 178.0914 117 D 4.5574 8.0165 117.1950 54.8683 40.2980 182.4977 118 A 4.5977 7.4865 117.3742 50.1049 20.8893 175.5661 119 G 4.0257 8.0388 105.5264 46.8077 0.0000 175.4042 120 L 4.4878 8.3161 123.3274 55.4969 42.6977 178.7548 121 W 5.2735 7.3278 113.3106 54.9549 31.8706 175.0191 122 S 4.8901 9.4884 114.1269 57.3314 65.7407 173.0611 123 S 5.0381 9.7259 120.9313 56.5888 67.3448 172.1840 124 A 4.7420 8.1343 120.3113 49.9805 22.1355 174.6409 125 D 4.4245 8.7530 122.8460 52.1190 43.6799 174.3989 126 L 4.7125 8.3522 129.5982 54.4606 43.7526 175.5523 127 T 5.6313 8.3310 115.1210 59.1626 72.2704 172.3662 128 Y 5.2214 8.5074 120.5929 56.2534 42.4319 174.1444 129 V 4.8813 8.5768 122.2169 61.4317 33.1822 175.1738 130 I 5.7492 9.1316 120.6819 58.2714 41.1241 174.2404 131 T 5.2909 7.9350 112.9868 60.5320 71.9286 172.3618 132 Y 5.0974 7.8135 120.0391 56.9625 42.2506 174.4039 133 E 5.2823 8.6787 117.1276 55.9124 30.0622 176.2789 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 3 H 8.44 4.59 0.00 3.08 2.43 0.00 5.89 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *5 K 8.76 4.41 0.00 1.83 1.76 0.00 1.59 0.00 0.00 1.82 0.00 0.00 3.24 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.67 1.42 7.81 6 H 8.04 4.05 0.00 3.13 3.25 0.00 5.69 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 7 T 7.80 3.86 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 1.02 0.00 0.00 8 E 7.98 3.92 0.00 2.13 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 2.38 2.38 0.00 9 L 8.08 3.82 0.00 1.68 1.55 0.16 0.74 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 10 R 7.92 3.89 0.00 1.85 2.08 0.00 3.40 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 1.64 1.77 0.00 11 A 8.04 3.91 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 12 A 7.90 3.86 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 13 V 7.41 3.46 2.16 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 1.02 0.00 0.00 0.90 0.00 0.00 14 L 8.06 3.84 0.00 1.79 1.57 0.99 1.51 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 15 D 8.28 4.18 0.00 2.59 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 16 A 7.93 4.00 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 17 L 7.95 4.11 0.00 1.69 1.93 1.13 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.72 4.10 0.00 1.16 1.65 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 2.27 2.38 0.00 19 K 7.68 4.11 0.00 1.85 1.84 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.42 7.81 20 H 7.73 4.46 0.00 3.34 3.31 0.00 5.77 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.74 4.73 0.00 2.68 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 22 T 8.64 4.59 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 23 G 8.18 3.87 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 0.00 0.00 0.00 24 A 8.17 4.54 1.09 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 25 T 8.30 4.42 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 1.13 0.00 0.00 26 F 8.85 5.09 0.00 2.94 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 27 F 9.69 4.74 0.00 2.97 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 28 D 8.90 4.64 0.00 2.70 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 29 G 9.14 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 30 R 7.79 3.71 0.00 0.67 1.10 0.00 2.64 0.00 0.00 3.01 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.38 0.00 31 P 0.00 4.32 0.00 1.22 1.51 0.00 3.13 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 32 A 7.84 4.25 1.16 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 0.00 0.00 33 V 7.15 3.93 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 0.78 0.00 0.00 0.93 0.00 0.00 34 F 8.29 4.92 0.00 2.90 2.30 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 35 D 9.68 4.71 0.00 2.78 2.56 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 36 E 9.04 4.11 0.00 1.98 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 2.24 1.92 0.00 37 A 8.03 4.23 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 38 D 8.22 4.48 0.00 2.23 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 39 F 6.84 4.45 0.00 3.16 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 40 P 0.00 4.54 0.00 1.29 0.92 0.00 3.59 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 2.15 1.97 0.00 41 A 8.52 5.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.50 4.97 1.66 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 1.29 0.00 0.00 0.89 0.00 0.00 43 A 9.45 5.57 1.52 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 0.00 0.00 44 V 8.65 5.03 2.19 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 1.07 0.00 0.00 1.05 0.00 0.00 45 Y 8.32 5.20 0.00 3.13 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 46 L 8.66 5.50 0.00 1.53 1.60 0.68 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 47 T 8.51 4.64 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 1.37 0.00 0.00 48 G 9.09 3.97 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 0.00 0.00 0.00 49 A 8.34 4.63 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 0.00 0.00 0.00 0.00 0.00 50 E 9.56 4.58 0.00 1.81 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 2.17 2.09 0.00 51 Y 7.40 3.18 0.00 1.79 2.40 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 52 T 9.86 3.91 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 1.02 0.00 0.00 53 G 6.04 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 0.00 0.00 0.00 54 E 8.53 3.60 0.00 1.93 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 2.34 2.42 0.00 *58 S 8.52 4.79 0.00 3.65 3.75 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 59 D 8.30 5.23 0.00 2.30 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 60 T 8.44 4.34 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 1.10 0.00 0.00 61 W 9.30 5.21 0.00 2.32 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 62 Q 8.92 5.10 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.52 0.00 63 A 9.05 4.91 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 64 E 9.24 4.95 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 1.97 2.16 0.00 65 L 9.43 4.74 0.00 1.78 1.72 0.86 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 66 H 9.02 5.14 0.00 1.51 2.59 0.00 5.61 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 8.73 4.56 1.86 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 1.16 0.80 0.99 0.00 0.00 68 E 9.18 4.97 0.00 2.20 1.96 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 1.47 1.95 0.00 69 V 8.09 4.59 2.01 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 0.67 0.00 0.00 0.21 0.00 0.00 70 F 9.50 4.99 0.00 2.56 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 71 L 8.49 4.65 0.00 1.39 1.29 0.88 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.22 0.00 1.90 1.78 0.00 3.36 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.54 0.00 73 A 8.18 3.83 1.18 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 0.00 0.00 74 Q 8.34 3.89 0.00 1.98 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 75 V 7.22 3.65 2.20 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 0.83 0.00 0.00 0.94 0.00 0.00 76 P 0.00 4.53 0.00 2.24 2.13 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 77 A 8.66 3.97 1.08 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 0.00 0.00 78 S 8.07 4.13 0.00 3.90 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 79 E 8.40 4.17 0.00 2.09 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 2.42 2.45 0.00 80 L 7.89 4.12 0.00 2.07 1.87 1.06 1.05 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 81 D 8.60 4.89 0.00 2.91 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.68 4.28 1.47 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 0.00 0.00 0.00 83 W 8.23 3.82 0.00 3.65 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 *85 E 8.08 4.35 0.00 2.05 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 0.00 2.13 1.88 0.00 86 S 8.07 4.74 0.00 3.92 3.97 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 87 R 8.17 4.44 0.00 1.40 1.73 0.00 2.21 0.00 0.00 2.87 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.10 0.00 88 I 7.35 4.29 1.99 0.00 0.00 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 1.69 1.19 0.96 0.00 0.00 89 Y 8.18 4.17 0.00 3.05 3.06 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 0.00 0.00 0.00 90 P 0.00 4.45 0.00 1.99 2.19 0.00 3.83 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 91 V 7.67 3.76 2.22 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 0.96 0.00 0.00 0.81 0.00 0.00 *93 S 8.11 4.37 0.00 4.08 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 94 D 8.03 4.39 0.00 2.61 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 95 I 7.85 4.56 1.80 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 1.43 0.62 0.88 0.00 0.00 96 P 0.00 4.17 0.00 2.24 2.33 0.00 3.68 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 97 A 7.85 3.96 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 98 L 8.05 3.98 0.00 1.70 1.79 0.83 0.58 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 99 S 8.05 4.09 0.00 3.90 3.97 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 0.00 100 D 8.04 4.45 0.00 2.83 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 0.00 101 L 7.79 4.31 0.00 1.75 1.68 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.03 4.67 2.18 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 1.52 0.68 0.90 0.00 0.00 103 T 8.21 4.63 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 1.26 0.00 0.00 104 S 7.71 4.56 0.00 3.88 4.01 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 *106 V 7.91 4.38 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 0.87 0.00 0.00 0.98 0.00 0.00 107 A 8.80 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 0.00 108 S 8.77 4.42 0.00 3.82 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.39 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 0.00 110 Y 8.32 4.96 0.00 3.00 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 0.00 111 D 8.48 4.87 0.00 2.49 2.45 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 0.00 112 Y 8.48 4.85 0.00 2.89 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 0.00 113 R 8.88 4.90 0.00 1.92 1.96 0.00 3.07 0.00 0.00 3.41 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 114 R 8.38 4.66 0.00 1.50 1.54 0.00 3.23 0.00 0.00 3.07 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 115 D 7.27 3.64 0.00 1.58 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 0.00 0.00 0.00 116 D 8.75 4.54 0.00 2.67 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 0.00 117 D 8.02 4.56 0.00 2.69 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 0.00 118 A 7.49 4.60 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 0.00 119 G 8.04 4.03 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 0.00 0.00 0.00 120 L 8.32 4.49 0.00 1.34 1.67 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 121 W 7.33 5.27 0.00 3.56 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 0.00 122 S 9.49 4.89 0.00 3.81 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 0.00 123 S 9.73 5.04 0.00 3.30 3.24 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 0.00 124 A 8.13 4.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 D 8.75 4.42 0.00 2.73 2.34 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 0.00 126 L 8.35 4.71 0.00 1.60 1.49 0.70 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 127 T 8.33 5.63 4.03 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 0.87 0.00 0.00 128 Y 8.51 5.22 0.00 2.88 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 0.00 129 V 8.58 4.88 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 0.83 0.00 0.00 0.96 0.00 0.00 130 I 9.13 5.75 2.02 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 1.13 1.06 0.94 0.00 0.00 131 T 7.93 5.29 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 1.23 0.00 0.00 132 Y 7.81 5.10 0.00 3.15 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 0.00 133 E 8.68 5.28 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 2.36 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.