NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 E 4.4173 8.4293 120.2251 56.3739 30.3742 176.4784 9 T 4.5761 8.8207 113.3665 59.7799 69.7968 172.6690 10 E 4.0648 9.3042 122.5593 60.6616 30.3188 180.4116 11 D 4.9830 7.8488 118.1839 53.0147 41.7269 176.0611 12 S 4.5922 7.7619 112.5076 56.1742 65.3201 173.0690 13 I 3.7835 8.6730 128.0209 64.0709 38.0630 176.0163 14 L 4.2126 7.7213 120.2042 54.7631 42.7293 176.6268 15 H 5.0880 8.3924 121.0888 55.4439 30.9276 170.8058 16 Q 4.4419 8.8371 119.9408 53.6508 31.1657 174.7111 17 L 4.9688 8.0465 124.0896 53.0367 43.8790 176.0670 18 F 4.8498 8.8981 121.0396 55.5717 43.2680 174.1282 19 I 4.5387 8.5057 123.6370 61.3223 37.7392 175.6878 20 V 4.9175 9.0808 119.5052 59.6609 36.6117 174.7275 21 R 5.3215 9.0657 120.9463 53.2495 33.0865 175.0239 22 F 4.3562 9.3277 127.4111 58.5030 39.3672 174.5423 23 L 4.1456 8.8249 126.2129 53.7593 43.2773 177.0633 24 G 3.6903 5.3800 107.6312 44.5870 0.0000 170.5274 25 S 4.9886 7.5843 113.1857 57.0007 66.3868 173.2610 26 M 4.7710 8.3433 119.0727 53.3536 36.6388 174.2529 27 E 4.4020 8.7726 123.3686 56.8556 30.3555 176.1527 28 V 4.7132 8.3734 118.9796 58.7181 35.9537 175.6210 29 K 3.9737 8.5629 121.1533 57.3329 32.7881 177.7702 30 S 4.4239 8.3426 118.4408 57.5840 61.4786 172.7014 31 D 4.9381 8.0079 123.6960 52.6784 44.7458 175.2336 32 D 4.9346 8.2429 117.6001 54.7072 41.7741 176.3147 33 H 4.9488 7.9110 116.7549 53.3118 30.6969 174.0866 34 P 4.1549 0.0000 0.0000 65.2492 31.1244 177.9722 35 D 4.5661 8.1619 118.8627 56.3157 38.9739 178.5776 36 V 3.4966 7.5167 119.5743 65.9417 31.3659 178.1097 37 V 3.4151 7.4656 117.8492 66.1751 31.3280 177.6692 38 Y 4.3116 7.1431 115.9876 61.0726 37.7344 177.9797 39 E 3.9930 8.5034 120.4792 59.5047 29.7311 179.0337 40 T 3.8180 7.9516 115.8795 66.7260 68.4279 176.4601 41 M 3.9836 8.2313 120.8283 58.3904 32.0128 178.7053 42 R 3.8623 8.1099 118.6092 59.5921 30.2965 178.5845 43 Q 3.9336 8.1505 117.6528 59.0086 28.6890 178.8358 44 I 3.6204 8.0687 121.1098 64.4554 37.2516 178.5856 45 L 3.9265 8.0888 119.6606 57.5626 41.3085 179.5113 46 A 3.9518 8.0246 120.5986 55.1424 18.3534 179.5933 47 A 3.9706 8.0543 119.3185 55.2880 18.4314 180.1245 48 R 3.8209 8.2274 116.5382 59.2333 30.1248 179.1772 49 A 3.9893 7.8265 120.0348 55.4095 18.2349 179.8832 50 I 3.7553 7.8634 117.0535 63.8381 37.1230 177.3890 51 H 4.7072 7.8067 114.7374 54.3884 29.2190 174.1135 52 N 4.1745 7.9194 117.7696 54.7689 37.4930 174.5785 53 I 3.9672 8.2095 119.1628 59.6755 37.5503 175.8207 54 F 4.8726 7.1534 119.6575 56.4877 39.7418 176.1791 55 R 4.1456 7.3448 121.0118 56.4545 30.3304 175.7047 56 M 4.8141 8.5195 121.3312 53.6537 35.5582 174.3092 57 T 4.6757 8.3443 117.3147 60.0682 70.0966 172.6716 58 E 4.5467 8.9197 130.0399 56.4601 30.5804 175.5701 59 S 4.9604 9.7331 121.9402 57.1595 67.8915 172.1193 60 H 5.3960 9.0711 118.0304 54.2575 30.9988 173.7285 61 L 4.8943 9.2848 126.0408 53.5407 43.7948 174.5350 62 L 4.9346 8.9991 129.2895 53.3537 44.4859 174.8582 63 V 4.5542 8.6105 126.9908 61.5294 33.2863 174.6145 64 T 5.1305 8.1461 117.2741 58.6627 71.4535 173.9755 65 C 4.2303 9.0035 119.2254 62.4432 28.2919 175.0766 66 D 4.6405 7.8344 118.3989 55.6021 41.7708 175.2466 67 C 5.1222 7.6866 111.7543 57.6756 33.5970 172.7178 68 L 5.1760 8.7199 119.8258 53.2129 43.5600 176.1339 69 K 5.0753 9.0437 121.7875 54.5632 36.4655 175.0139 70 L 5.2340 8.9527 123.4684 53.2032 44.1923 175.4669 71 I 4.9838 8.6721 125.1210 59.2526 40.6429 174.4697 72 D 4.7935 8.8508 127.0179 53.1767 41.3623 175.4935 73 P 4.1478 0.0000 0.0000 65.6666 31.7789 177.9336 74 Q 4.0825 8.2253 118.1756 58.8918 28.5950 177.4725 75 T 4.2204 7.9697 104.6247 61.0365 69.7557 174.8085 76 Q 3.5167 8.1171 119.5069 56.6144 27.3068 173.5079 77 V 3.7413 7.4564 118.2597 62.5574 32.0731 175.6399 78 T 4.5130 8.2878 123.7176 63.4381 67.9001 174.5219 79 R 4.1995 8.5992 127.4023 58.6453 30.8527 177.6035 80 L 4.5899 7.5691 116.6306 53.2417 46.3654 175.3370 81 T 4.7428 7.7750 115.6110 60.2667 70.8550 173.0600 82 F 4.8166 9.2180 126.4730 54.8744 42.2247 172.9487 83 P 4.6882 0.0000 0.0000 62.0857 32.1122 177.5585 84 L 3.9436 8.9564 125.4707 57.7647 42.1646 177.5384 85 P 4.3646 0.0000 0.0000 65.3069 31.5437 176.9418 86 C 4.2833 8.1676 115.0472 60.7632 28.4824 173.4498 87 V 4.4576 7.4665 119.7167 62.4450 29.6871 175.2300 88 V 4.3798 8.5123 120.4296 61.8241 32.9975 176.4486 89 L 4.8117 7.8488 119.4896 53.3485 46.1744 174.7172 90 Y 5.2982 7.5062 118.3194 56.3014 40.7386 173.4307 91 A 4.5788 8.5787 121.4354 52.0039 23.5061 175.4394 92 T 5.0542 8.4150 113.2913 59.9014 70.1630 172.3152 93 H 4.9601 8.4348 122.3897 54.1553 31.1073 175.3673 94 Q 4.0141 8.4906 125.8281 58.8579 28.6309 177.2996 95 E 4.3581 8.2412 114.0887 56.3218 30.2032 176.0881 96 N 4.5802 7.9283 117.2651 53.2534 40.2124 174.1651 97 K 4.6042 8.3295 122.0968 56.3300 32.5153 179.1597 98 R 4.1554 8.4331 120.4179 58.3976 30.7654 176.6999 99 L 4.9738 8.0365 119.4316 54.2359 43.6049 175.9108 100 F 5.3178 9.5031 124.1872 56.8466 43.2099 173.5052 101 G 4.4252 8.4640 112.1000 44.4780 0.0000 171.1244 102 F 5.4812 8.3327 115.1279 55.0870 42.3046 173.1555 103 V 4.7517 8.9995 120.1392 61.1532 33.9902 173.9251 104 L 5.2632 9.1685 130.6338 53.6859 43.8345 174.7054 105 R 5.0473 9.0912 128.1967 55.1649 30.9769 175.2674 106 T 4.7361 9.0450 123.7974 62.1187 70.9919 174.1094 107 S 4.8779 8.4300 120.6586 56.4419 65.5829 174.9244 108 S 4.1278 8.5863 118.5753 60.7631 63.1819 174.9254 *115 L 4.3231 7.8620 121.9447 54.6482 43.5585 176.6746 116 S 4.6248 7.7755 112.4140 57.1930 65.9394 173.1534 117 S 5.3746 8.8042 122.2484 56.7783 67.1637 173.0546 118 V 4.6478 8.6416 122.1066 61.2706 35.0266 173.4470 119 C 4.9368 8.8384 128.3359 57.9310 33.6782 171.6039 120 Y 4.7296 8.4365 124.1627 56.1569 40.1083 174.6350 121 I 4.9146 8.3996 125.2368 59.5321 40.2052 174.8226 122 F 5.3390 9.5841 124.0110 55.8694 43.7066 173.2959 123 E 5.2884 9.4752 122.3048 54.8919 32.2267 174.6909 124 S 5.0466 8.9730 118.9376 56.1783 66.7341 174.3484 125 N 4.6604 8.4631 117.5257 52.9176 36.8137 174.9637 126 N 4.2752 7.9099 111.4657 55.0422 36.8402 175.2041 127 E 4.6973 8.3490 113.7034 56.0151 30.8880 178.7256 128 G 3.8382 8.5528 108.8821 48.3251 0.0000 176.1375 129 E 4.0436 8.1364 120.8506 58.8112 29.6006 179.2108 130 K 3.9454 7.9478 119.1852 59.5011 32.2669 178.7366 131 I 2.6310 7.6056 120.3909 64.2122 36.7660 178.1449 132 C 4.2472 7.9577 117.4518 63.0734 27.8869 176.0118 133 D 4.3744 8.2840 120.4902 57.2845 40.3838 178.8212 134 S 4.0497 7.9751 113.7143 61.3342 62.3559 176.3974 135 V 3.4507 7.8611 121.3463 65.7545 31.1528 178.2183 136 G 3.6442 8.1204 105.6786 47.6443 0.0000 175.4759 137 L 3.9404 8.2117 122.6921 57.7743 42.1385 178.7732 138 A 3.9659 7.9461 120.7164 55.3052 18.3289 179.7864 139 K 3.9465 8.2753 117.2000 59.5657 32.0034 179.4259 140 Q 4.0079 8.2345 119.9796 59.1130 28.9017 178.2573 141 I 3.6724 7.9199 120.6624 64.4330 37.1503 178.2917 142 A 4.0007 8.0482 121.5488 55.1311 17.9363 179.7226 143 L 3.9913 7.8537 116.8454 58.0795 41.7422 178.8299 144 H 4.2302 8.3413 117.3994 59.2333 29.8999 176.9090 145 A 4.1166 8.2230 121.7509 54.7789 18.2533 177.4315 146 E 4.1401 7.7878 121.1178 56.8735 29.8198 176.6908 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 8 E 8.43 4.42 0.00 1.99 1.64 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 2.21 2.31 0.00 9 T 8.82 4.58 4.46 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 1.29 0.00 0.00 10 E 9.30 4.06 0.00 2.08 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 0.00 2.29 2.32 0.00 11 D 7.85 4.98 0.00 2.65 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 12 S 7.76 4.59 0.00 3.75 3.68 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 13 I 8.67 3.78 1.86 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 1.40 0.79 0.90 0.00 0.00 14 L 7.72 4.21 0.00 1.62 1.54 0.89 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 15 H 8.39 5.09 0.00 3.10 3.10 0.00 5.69 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.84 4.44 0.00 2.03 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.56 0.00 0.00 0.00 0.00 0.00 2.20 2.27 0.00 17 L 8.05 4.97 0.00 1.30 1.38 0.91 0.79 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 18 F 8.90 4.85 0.00 2.78 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 19 I 8.51 4.54 1.94 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 1.39 0.44 1.00 0.00 0.00 20 V 9.08 4.92 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 0.74 0.00 0.00 0.95 0.00 0.00 21 R 9.07 5.32 0.00 1.83 1.91 0.00 3.21 0.00 0.00 3.27 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00 22 F 9.33 4.36 0.00 3.12 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 23 L 8.82 4.15 0.00 1.33 1.46 0.88 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 24 G 5.38 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 0.00 0.00 0.00 25 S 7.58 4.99 0.00 3.28 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 26 M 8.34 4.77 0.00 1.86 1.80 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 2.39 2.39 0.00 27 E 8.77 4.40 0.00 1.93 1.81 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 2.26 2.50 0.00 28 V 8.37 4.71 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 0.74 0.00 0.00 0.88 0.00 0.00 29 K 8.56 3.97 0.00 1.90 1.80 0.00 1.55 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.54 7.81 30 S 8.34 4.42 0.00 3.87 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 31 D 8.01 4.94 0.00 2.49 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 0.00 0.00 0.00 0.00 32 D 8.24 4.93 0.00 2.63 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 33 H 7.91 4.95 0.00 3.12 3.31 0.00 5.64 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 34 P 0.00 4.15 0.00 2.07 2.13 0.00 3.69 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 35 D 8.16 4.57 0.00 3.07 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 36 V 7.52 3.50 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 0.91 0.00 0.00 0.97 0.00 0.00 37 V 7.47 3.42 1.64 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 0.85 0.00 0.00 0.72 0.00 0.00 38 Y 7.14 4.31 0.00 3.16 2.92 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 39 E 8.50 3.99 0.00 2.10 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 2.30 2.38 0.00 40 T 7.95 3.82 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 1.08 0.00 0.00 41 M 8.23 3.98 0.00 2.09 2.37 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 2.80 2.57 0.00 42 R 8.11 3.86 0.00 2.02 2.13 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 43 Q 8.15 3.93 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.66 0.00 44 I 8.07 3.62 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.67 0.72 0.00 0.00 45 L 8.09 3.93 0.00 1.71 1.69 0.89 0.90 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 46 A 8.02 3.95 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 A 8.05 3.97 1.38 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 48 R 8.23 3.82 0.00 1.97 2.11 0.00 3.21 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 49 A 7.83 3.99 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 50 I 7.86 3.76 1.84 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 1.66 0.80 0.71 0.00 0.00 51 H 7.81 4.71 0.00 3.20 3.28 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 7.92 4.17 0.00 2.90 2.95 0.00 0.00 7.02 8.07 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 53 I 8.21 3.97 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.91 0.76 0.00 0.00 54 F 7.15 4.87 0.00 3.09 3.16 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 55 R 7.34 4.15 0.00 1.66 1.88 0.00 3.12 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.25 0.00 56 M 8.52 4.81 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 57 T 8.34 4.68 4.31 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 1.33 0.00 0.00 58 E 8.92 4.55 0.00 2.10 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 2.39 2.44 0.00 59 S 9.73 4.96 0.00 3.90 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 60 H 9.07 5.40 0.00 3.06 3.17 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 9.28 4.89 0.00 1.59 1.54 0.82 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 62 L 9.00 4.93 0.00 1.69 1.45 0.53 0.51 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 63 V 8.61 4.55 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 0.84 0.00 0.00 0.90 0.00 0.00 64 T 8.15 5.13 4.21 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 1.19 0.00 0.00 65 C 9.00 4.23 0.00 2.95 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 66 D 7.83 4.64 0.00 2.76 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 67 C 7.69 5.12 0.00 3.09 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 68 L 8.72 5.18 0.00 1.55 1.47 0.25 0.67 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 69 K 9.04 5.08 0.00 1.62 1.62 0.00 1.58 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.34 7.81 70 L 8.95 5.23 0.00 1.64 1.66 1.33 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 71 I 8.67 4.98 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.82 0.96 0.00 0.00 72 D 8.85 4.79 0.00 2.74 2.54 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 73 P 0.00 4.15 0.00 2.15 1.84 0.00 3.81 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 1.97 2.01 0.00 74 Q 8.23 4.08 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 75 T 7.97 4.22 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 76 Q 8.12 3.52 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 77 V 7.46 3.74 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 0.94 0.00 0.00 0.92 0.00 0.00 78 T 8.29 4.51 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 R 8.60 4.20 0.00 1.81 1.96 0.00 3.13 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 80 L 7.57 4.59 0.00 1.33 0.71 0.99 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.77 4.74 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 1.08 0.00 0.00 82 F 9.22 4.82 0.00 2.72 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 83 P 0.00 4.69 0.00 2.21 1.98 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.07 0.00 84 L 8.96 3.94 0.00 1.67 1.66 0.80 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.36 0.00 2.10 2.12 0.00 3.66 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 2.04 2.12 0.00 86 C 8.17 4.28 0.00 3.25 3.20 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 87 V 7.47 4.46 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 0.71 0.00 0.00 0.78 0.00 0.00 88 V 8.51 4.38 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 0.84 0.00 0.00 0.99 0.00 0.00 89 L 7.85 4.81 0.00 1.51 1.35 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 90 Y 7.51 5.30 0.00 3.19 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 91 A 8.58 4.58 1.12 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 0.00 0.00 92 T 8.41 5.05 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 1.32 0.00 0.00 93 H 8.43 4.96 0.00 3.29 3.34 0.00 5.74 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.49 4.01 0.00 1.93 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 95 E 8.24 4.36 0.00 1.96 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 2.26 2.32 0.00 96 N 7.93 4.58 0.00 2.67 2.64 0.00 0.00 7.17 6.14 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 97 K 8.33 4.60 0.00 1.87 1.86 0.00 2.06 0.00 0.00 2.00 0.00 0.00 3.18 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.56 1.40 7.81 98 R 8.43 4.16 0.00 1.98 2.15 0.00 3.14 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 99 L 8.04 4.97 0.00 1.82 1.67 0.93 0.86 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 0.00 100 F 9.50 5.32 0.00 3.14 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 0.00 101 G 8.46 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 0.00 0.00 0.00 0.00 102 F 8.33 5.48 0.00 3.32 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 0.00 103 V 9.00 4.75 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 0.95 0.00 0.00 0.87 0.00 0.00 104 L 9.17 5.26 0.00 2.21 1.89 1.21 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 105 R 9.09 5.05 0.00 1.87 1.86 0.00 3.33 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 106 T 9.04 4.74 4.29 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 1.25 0.00 0.00 107 S 8.43 4.88 0.00 3.84 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 0.00 108 S 8.59 4.13 0.00 3.98 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 *115 L 7.86 4.32 0.00 1.64 1.79 0.93 0.84 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 0.00 116 S 7.78 4.62 0.00 3.94 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 0.00 117 S 8.80 5.37 0.00 3.94 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 0.00 118 V 8.64 4.65 2.13 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 0.38 0.00 0.00 0.92 0.00 0.00 119 C 8.84 4.94 0.00 2.89 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 0.00 120 Y 8.44 4.73 0.00 1.76 2.61 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 0.00 121 I 8.40 4.91 1.59 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 1.10 0.57 0.83 0.00 0.00 122 F 9.58 5.34 0.00 3.21 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 0.00 123 E 9.48 5.29 0.00 2.07 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 2.29 2.29 0.00 124 S 8.97 5.05 0.00 3.85 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 0.00 125 N 8.46 4.66 0.00 2.79 2.87 0.00 0.00 6.90 8.00 0.00 0.00 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 N 7.91 4.28 0.00 2.87 2.92 0.00 0.00 7.04 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 0.00 127 E 8.35 4.70 0.00 2.02 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 2.29 2.50 0.00 128 G 8.55 3.84 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 0.00 0.00 0.00 129 E 8.14 4.04 0.00 2.05 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 2.45 2.41 0.00 130 K 7.95 3.95 0.00 1.86 1.95 0.00 1.81 0.00 0.00 2.03 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.81 1.64 7.81 131 I 7.61 2.63 1.13 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.67 0.00 0.00 132 C 7.96 4.25 0.00 3.25 3.19 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 0.00 133 D 8.28 4.37 0.00 2.84 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 0.00 134 S 7.98 4.05 0.00 4.17 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 0.00 135 V 7.86 3.45 1.54 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 0.13 0.00 0.00 0.66 0.00 0.00 136 G 8.12 3.64 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 0.00 0.00 0.00 137 L 8.21 3.94 0.00 1.84 1.81 0.92 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.95 3.97 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 0.00 139 K 8.28 3.95 0.00 1.96 1.94 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.44 1.63 7.81 140 Q 8.23 4.01 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 141 I 7.92 3.67 2.02 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 1.44 0.60 0.91 0.00 0.00 142 A 8.05 4.00 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 0.00 143 L 7.85 3.99 0.00 1.84 1.77 0.96 0.95 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 0.00 144 H 8.34 4.23 0.00 3.24 3.51 0.00 5.76 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.22 4.12 1.38 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 0.00 146 E 7.79 4.14 0.00 1.99 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 2.34 2.42 0.00 * Residues marked with a * may have inaccurate shift predictions.