NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.2220 8.2233 119.5229 53.5833 41.4461 175.3426 4 H 4.4222 8.2881 113.5282 56.4375 28.7096 174.2952 5 D 4.6150 7.9040 118.4320 54.0643 41.8744 175.9019 6 E 4.1035 7.4973 122.3524 56.8940 30.5212 175.9477 7 R 5.0275 8.5204 123.5984 54.9418 34.2240 174.3461 8 T 4.8156 8.7915 114.2091 60.7992 71.8758 171.9335 9 F 5.3916 8.5828 127.4493 56.8598 41.5171 174.7095 10 V 4.7222 8.2883 125.4301 61.2659 34.9984 173.5309 11 M 4.8769 8.6796 127.2183 53.5688 35.5489 174.0137 12 V 4.4677 8.5661 126.3105 62.1180 33.2494 175.8613 13 K 4.4703 8.7656 127.5974 54.7820 33.7050 176.0433 14 P 4.5097 0.0000 0.0000 65.2331 30.9943 178.7129 15 D 4.5148 8.3847 117.5667 56.3828 39.5394 178.5262 16 G 3.7081 8.2080 106.9038 47.7210 0.0000 175.5941 17 V 3.7900 7.9091 120.7132 65.5432 31.3273 178.2197 18 Q 4.1513 8.2171 117.4552 58.7429 28.7125 178.0208 19 R 4.2834 8.0430 116.1298 55.5269 31.2051 176.0334 20 G 3.7316 7.6389 105.0192 47.2303 0.0000 174.2724 21 L 5.0018 8.1372 114.8256 53.2264 43.2753 179.4123 22 I 3.8270 7.7877 115.5031 64.1118 37.6425 178.2317 23 G 3.6263 7.9789 107.3738 47.3993 0.0000 175.0175 24 D 4.3733 7.9857 120.6768 57.4114 40.6802 178.9776 25 I 3.6950 7.7039 120.1512 64.0316 37.0954 178.7052 26 V 3.7638 8.2322 119.6322 66.4684 31.5143 178.1420 27 T 4.2038 8.4079 114.3541 64.6030 67.0309 176.3767 28 R 4.1108 7.8544 119.9313 58.9560 30.0402 178.9115 29 L 3.7267 7.4123 118.9470 57.2792 41.2756 179.1637 30 E 4.2419 8.1726 118.5993 59.8973 29.3041 179.1499 31 T 3.9743 8.1717 114.9129 66.9521 68.6988 176.1442 32 K 4.0793 7.6297 119.3908 57.7978 32.2947 177.6291 33 G 3.9563 8.3894 106.9762 44.8817 0.0000 173.7199 34 L 4.5656 7.1701 117.8410 54.6238 42.8170 176.2686 35 K 4.8039 9.4800 122.7233 54.7212 34.9534 174.8242 36 M 3.5031 8.7267 127.5157 55.4674 32.4514 175.9137 37 V 4.5221 8.5571 118.0674 61.3112 34.5568 175.5051 38 G 4.0777 7.3362 106.8319 44.9262 0.0000 172.3094 39 G 4.5991 8.4985 107.7776 44.8948 0.0000 172.6637 40 K 4.9349 8.6605 122.6809 55.4421 36.5581 174.8766 41 F 5.1243 9.2569 126.2136 57.7876 39.7787 174.3265 42 M 4.8947 8.3868 122.9919 53.4148 34.9647 174.2860 43 R 4.4864 8.4445 120.0734 55.4491 31.7036 175.3993 44 I 4.2938 8.1158 126.1262 59.5653 38.9329 175.0002 45 D 4.7268 8.3833 124.6890 52.3611 41.1882 177.3425 46 E 3.7884 8.7191 122.3247 59.8108 29.7371 179.7875 47 E 4.1246 8.2542 118.0415 59.4202 29.5666 179.1311 48 L 4.0624 8.4484 120.5389 57.7098 42.1260 178.5272 49 A 3.8929 7.8968 120.3363 55.6984 18.0002 179.0320 50 H 4.3931 8.6020 114.8281 59.3871 28.5826 177.9471 51 E 4.1803 7.6621 118.0012 59.3224 29.2995 178.7132 52 H 4.3558 7.9148 117.5330 59.0667 30.0936 176.4324 53 Y 4.8968 7.6010 115.8870 58.1535 38.1932 177.0461 54 A 4.5215 7.5002 127.5904 50.7772 16.6328 177.7471 55 E 5.0413 8.1893 119.6117 56.0423 33.5952 177.7833 *61 F 4.8720 7.4488 111.9210 56.6661 39.8395 176.2819 62 F 3.6833 8.0736 127.0772 62.2118 39.0597 176.3740 63 D 4.9934 8.3530 116.3145 53.2484 39.9850 179.2064 64 G 4.0810 8.2657 108.5291 47.3872 0.0000 176.0511 65 L 4.2040 7.8446 121.4879 56.9663 41.9424 178.7398 66 V 3.7127 7.2424 116.9155 65.8142 31.4423 177.7979 67 S 4.1252 7.9224 111.4100 60.7599 62.5659 175.3926 68 F 4.6044 8.2223 123.5661 60.9861 39.2516 177.2384 69 I 3.4232 7.3311 115.8650 62.7953 37.6067 176.3925 70 T 4.4128 7.4064 112.5499 62.1342 67.5537 174.8532 71 S 4.3915 7.8993 114.2661 59.2464 63.6880 173.3186 72 G 3.9024 6.8140 109.9525 44.6054 0.0000 171.0995 73 P 4.3295 0.0000 0.0000 62.6831 32.6191 176.1190 74 V 4.3702 8.2398 121.5671 61.0658 35.6944 174.3251 75 F 4.9928 8.8201 125.6537 56.3356 41.2616 173.5427 76 A 4.6601 8.3518 128.0609 51.6112 20.3579 175.8305 77 M 5.1467 8.6009 118.4196 54.0518 37.3583 174.0319 78 V 4.9113 8.3748 121.3550 60.9774 34.8489 174.4228 79 W 5.3416 9.2287 126.1998 54.8967 33.1520 173.8935 80 E 5.2104 10.7800 124.1098 54.2153 33.0234 174.8521 81 G 4.6087 8.4030 111.5688 42.7220 0.0000 172.1643 82 A 3.9802 7.7118 123.1757 53.9950 18.5373 177.2339 83 D 4.5577 9.3003 121.3696 53.0663 40.3631 175.3477 84 A 4.0505 7.9248 119.8838 55.5569 18.2768 179.9300 85 T 3.8330 7.7561 112.4388 66.7399 68.4885 176.8591 86 R 3.6135 7.8868 119.8951 59.4501 30.1506 178.1383 87 Q 3.9503 8.2004 117.9762 59.2382 28.7743 179.3310 88 V 3.4675 7.8679 118.9881 65.9497 31.2862 177.8652 89 R 4.0287 7.5381 116.9601 58.6684 30.1018 178.3221 90 Q 4.0738 8.1782 118.6118 58.9648 28.8628 177.8630 91 L 3.9322 8.0727 121.5023 58.6853 42.0208 178.8964 92 M 4.1575 8.0923 118.0206 55.0189 31.8962 177.5091 93 G 4.2404 7.4421 107.5181 43.6929 0.0000 172.6965 94 A 4.0127 8.4777 120.9011 52.5299 18.5989 177.9866 95 T 3.8634 8.6132 111.6068 64.4875 69.0585 173.9246 96 D 4.4597 7.9829 122.1718 52.8585 40.6879 176.4492 97 A 4.1284 8.3610 131.3284 54.9388 18.6368 179.3914 98 Q 4.0643 8.3102 114.4910 58.3924 28.7734 176.9513 99 D 4.6903 7.8792 115.1782 54.0061 41.9028 176.6129 100 A 4.2720 7.3122 120.6059 51.7694 19.3093 177.2171 101 A 4.3491 8.4641 122.3079 50.5147 20.3321 175.3380 102 P 4.2449 0.0000 0.0000 64.3614 31.4624 175.6138 103 G 4.0834 9.3441 112.1936 46.0097 0.0000 174.9161 104 T 4.5425 7.6415 109.6923 60.3868 71.7870 175.9375 105 I 3.9584 8.3038 122.5582 64.4811 37.1397 178.8425 106 R 4.2991 8.0617 118.2620 58.4523 30.0650 179.0923 107 G 3.6623 7.9932 104.3829 47.0429 0.0000 174.6465 108 D 4.5299 8.0044 119.7821 55.2115 41.7596 176.8281 109 Y 4.6835 8.0291 113.6526 57.4026 38.8453 175.5773 110 G 4.3438 7.9988 108.3260 44.0165 0.0000 172.6449 111 N 4.9716 8.1043 118.4839 51.5488 39.2030 173.2135 112 D 4.4224 7.4768 114.3542 53.5899 44.4041 176.0639 113 L 4.0078 8.6608 124.1645 58.6548 41.0910 178.7251 114 G 3.5221 7.8866 107.5109 47.6221 0.0000 173.9251 115 H 4.2483 7.5353 119.0042 53.9461 26.9899 174.5472 116 N 4.8995 7.9988 117.7301 52.4501 38.5705 176.6578 117 L 4.3337 9.9792 124.8328 55.5428 40.7591 174.3166 118 I 4.9406 7.1744 107.1650 60.2600 40.7286 172.7224 119 H 4.9410 9.1770 122.4278 54.2854 32.3742 172.6798 120 G 4.7950 8.2270 111.4246 44.5200 0.0000 172.5569 121 S 4.7768 8.0877 119.5491 57.8676 63.7293 173.7386 122 D 4.6289 8.6957 123.0875 54.1092 41.7205 176.1032 123 H 4.5408 9.0120 123.7066 57.7693 29.2957 176.5263 124 E 4.1569 8.5563 115.6610 56.7416 30.0128 181.4347 125 D 4.6550 8.0477 118.8223 53.2443 40.2087 175.4953 126 E 3.9346 8.4213 120.9288 57.1669 30.3714 177.8456 127 G 4.1789 8.8311 110.2755 45.3685 0.0000 175.4454 128 A 3.9803 7.8187 121.9228 55.2913 17.8579 179.3542 129 N 4.3444 8.2126 115.0370 56.6258 37.6085 177.3070 130 E 4.1091 8.1525 121.3854 58.2345 29.3444 179.1862 131 R 3.8846 8.2944 119.2134 59.6777 29.8332 178.5334 132 E 3.9825 8.3008 117.9243 58.7864 29.4528 178.8485 133 I 4.0770 7.6832 118.3517 63.3857 37.8920 177.5844 134 A 4.0631 7.7600 120.8238 54.7930 18.2070 178.9550 135 L 3.9456 7.5267 118.1557 57.2673 42.2327 178.0560 136 F 4.1920 7.5322 116.0762 56.5273 40.6336 175.6428 137 F 4.9784 7.9317 117.6374 56.2798 42.9560 174.3420 138 D 5.0288 9.8263 124.6075 51.9652 42.1417 178.9496 139 D 4.6591 8.7042 118.9697 56.6389 40.0056 178.3956 140 D 4.7078 7.9132 115.2872 55.8422 40.4896 182.7336 141 E 4.4414 8.1049 114.7864 57.1456 29.4941 176.1612 142 L 4.8843 7.6535 118.9793 52.8251 44.2541 175.8073 143 V 4.4345 8.3342 123.0032 61.3106 33.5384 174.4486 144 D 5.2883 8.6547 126.7409 52.3496 42.7798 175.4909 145 W 5.0521 8.6213 118.8544 55.6487 30.9033 173.2984 146 D 4.4586 8.6173 118.9906 52.4961 41.6677 177.3087 147 R 4.0680 7.8367 125.1033 55.4189 30.1899 176.1191 148 D 4.3339 8.6343 127.2321 57.4496 41.1223 178.6267 149 A 4.4509 8.0191 119.0038 53.8099 18.5752 179.2892 150 S 4.1606 8.8315 114.6419 61.0469 62.8432 176.2029 151 A 4.0591 7.8359 124.6730 53.5598 17.7256 178.7776 152 W 4.8932 7.7405 114.7118 57.6484 30.3749 178.1768 153 V 3.6240 7.6573 118.0053 64.5403 31.0364 174.8602 154 Y 4.9032 7.4608 113.7970 55.9878 42.0087 175.6481 155 E 4.2434 8.6240 120.7740 57.0146 27.4495 177.0493 156 D 4.3814 8.1929 121.9829 55.4604 43.6030 176.1564 157 L 4.3081 7.9638 118.8618 51.8048 43.2247 179.8471 158 A 4.2570 7.5867 118.4943 53.4609 19.1650 176.9474 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 D 8.22 4.22 0.00 2.62 2.63 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 0.00 0.00 0.00 0.00 4 H 8.29 4.42 0.00 2.90 2.81 0.00 5.85 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 7.90 4.61 0.00 2.62 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 6 E 7.50 4.10 0.00 2.13 1.82 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 2.34 2.33 0.00 7 R 8.52 5.03 0.00 1.72 1.80 0.00 3.22 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 8 T 8.79 4.82 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 1.36 0.00 0.00 9 F 8.58 5.39 0.00 3.29 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 10 V 8.29 4.72 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 0.83 0.00 0.00 1.02 0.00 0.00 11 M 8.68 4.88 0.00 1.84 1.16 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 12 V 8.57 4.47 2.25 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 0.99 0.00 0.00 1.14 0.00 0.00 13 K 8.77 4.47 0.00 2.08 1.60 0.00 2.00 0.00 0.00 1.97 0.00 0.00 3.03 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.45 1.47 7.81 14 P 0.00 4.51 0.00 2.07 2.05 0.00 3.19 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.94 0.00 15 D 8.38 4.51 0.00 2.94 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 16 G 8.21 3.71 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 0.00 0.00 0.00 17 V 7.91 3.79 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 1.28 0.00 0.00 1.12 0.00 0.00 18 Q 8.22 4.15 0.00 2.31 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.51 2.60 0.00 19 R 8.04 4.28 0.00 1.87 2.00 0.00 3.31 0.00 0.00 3.35 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 20 G 7.64 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 21 L 8.14 5.00 0.00 1.73 1.34 0.79 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.79 3.83 1.88 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.89 0.95 0.00 0.00 23 G 7.98 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.99 4.37 0.00 2.65 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.70 3.69 1.85 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.50 0.88 0.00 0.00 26 V 8.23 3.76 2.26 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 1.25 0.00 0.00 1.30 0.00 0.00 27 T 8.41 4.20 4.28 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 1.31 0.00 0.00 28 R 7.85 4.11 0.00 1.77 1.93 0.00 3.36 0.00 0.00 3.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.90 0.00 29 L 7.41 3.73 0.00 0.46 0.33 -0.52 0.42 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 30 E 8.17 4.24 0.00 2.28 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 2.64 2.79 0.00 31 T 8.17 3.97 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 1.20 0.00 0.00 32 K 7.63 4.08 0.00 1.76 1.91 0.00 1.71 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.42 7.81 33 G 8.39 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 0.00 0.00 0.00 34 L 7.17 4.57 0.00 1.85 2.00 0.83 0.86 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 35 K 9.48 4.80 0.00 1.72 1.77 0.00 0.71 0.00 0.00 1.24 0.00 0.00 2.29 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.09 0.80 7.81 36 M 8.73 3.50 0.00 1.77 0.68 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.22 0.00 37 V 8.56 4.52 2.21 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 0.84 0.00 0.00 0.87 0.00 0.00 38 G 7.34 4.08 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 0.00 39 G 8.50 4.60 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 0.00 0.00 0.00 40 K 8.66 4.93 0.00 1.87 1.97 0.00 1.27 0.00 0.00 0.77 0.00 0.00 2.75 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.11 1.24 7.81 41 F 9.26 5.12 0.00 3.22 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 42 M 8.39 4.89 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.49 0.00 43 R 8.44 4.49 0.00 1.79 1.80 0.00 3.19 0.00 0.00 3.20 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 44 I 8.12 4.29 1.97 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.76 0.85 0.00 0.00 45 D 8.38 4.73 0.00 2.78 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 46 E 8.72 3.79 0.00 2.07 2.06 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 2.40 2.47 0.00 47 E 8.25 4.12 0.00 2.04 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 2.40 2.45 0.00 48 L 8.45 4.06 0.00 1.61 1.81 0.23 0.71 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 49 A 7.90 3.89 1.31 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 0.00 0.00 0.00 50 H 8.60 4.39 0.00 3.40 3.49 0.00 5.62 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 51 E 7.66 4.18 0.00 1.93 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 2.36 2.47 0.00 52 H 7.91 4.36 0.00 3.07 2.96 0.00 5.76 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Y 7.60 4.90 0.00 2.83 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 54 A 7.50 4.52 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 55 E 8.19 5.04 0.00 1.95 1.79 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 1.97 1.68 0.00 *61 F 7.45 4.87 0.00 3.26 3.37 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 0.00 62 F 8.07 3.68 0.00 2.91 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 63 D 8.35 4.99 0.00 2.73 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 64 G 8.27 4.08 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 0.00 65 L 7.84 4.20 0.00 1.81 1.66 0.65 0.69 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 66 V 7.24 3.71 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 0.86 0.00 0.00 0.47 0.00 0.00 67 S 7.92 4.13 0.00 3.96 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 68 F 8.22 4.60 0.00 3.22 3.17 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 69 I 7.33 3.42 2.25 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 1.57 0.80 1.03 0.00 0.00 70 T 7.41 4.41 4.38 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 1.27 0.00 0.00 71 S 7.90 4.39 0.00 4.16 4.28 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 72 G 6.81 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.33 0.00 1.66 1.37 0.00 3.55 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 2.26 2.12 0.00 74 V 8.24 4.37 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 0.88 0.00 0.00 0.85 0.00 0.00 75 F 8.82 4.99 0.00 3.37 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 76 A 8.35 4.66 1.23 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 0.00 0.00 77 M 8.60 5.15 0.00 1.93 2.19 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 1.86 0.00 78 V 8.37 4.91 1.75 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 1.10 0.00 0.00 0.29 0.00 0.00 79 W 9.23 5.34 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 80 E 10.78 5.21 0.00 1.95 1.73 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 2.18 2.29 0.00 81 G 8.40 4.61 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 0.00 82 A 7.71 3.98 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 83 D 9.30 4.56 0.00 2.88 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 84 A 7.92 4.05 1.51 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 0.00 0.00 85 T 7.76 3.83 4.30 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 1.31 0.00 0.00 86 R 7.89 3.61 0.00 2.14 1.95 0.00 3.13 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.68 0.00 87 Q 8.20 3.95 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.57 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 88 V 7.87 3.47 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 0.90 0.00 0.00 0.87 0.00 0.00 89 R 7.54 4.03 0.00 2.05 1.92 0.00 3.61 0.00 0.00 3.40 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 90 Q 8.18 4.07 0.00 2.36 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.49 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 91 L 8.07 3.93 0.00 1.91 1.70 0.87 1.18 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 92 M 8.09 4.16 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 93 G 7.44 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 0.00 0.00 0.00 0.00 94 A 8.48 4.01 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 95 T 8.61 3.86 4.25 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 1.24 0.00 0.00 96 D 7.98 4.46 0.00 2.67 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 97 A 8.36 4.13 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 98 Q 8.31 4.06 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.67 0.00 0.00 0.00 0.00 0.00 2.55 2.30 0.00 99 D 7.88 4.69 0.00 2.66 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 0.00 100 A 7.31 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 0.00 101 A 8.46 4.35 1.23 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 0.00 0.00 102 P 0.00 4.24 0.00 1.92 1.97 0.00 3.63 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 2.00 2.08 0.00 103 G 9.34 4.08 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 0.00 104 T 7.64 4.54 4.45 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 1.25 0.00 0.00 105 I 8.30 3.96 1.91 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.64 0.98 0.00 0.00 106 R 8.06 4.30 0.00 2.08 1.99 0.00 3.35 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 107 G 7.99 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 0.00 0.00 0.00 108 D 8.00 4.53 0.00 2.39 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 0.00 0.00 0.00 109 Y 8.03 4.68 0.00 2.93 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 0.00 110 G 8.00 4.34 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 0.00 0.00 0.00 111 N 8.10 4.97 0.00 2.61 2.71 0.00 0.00 6.81 8.47 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 0.00 112 D 7.48 4.42 0.00 2.67 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.66 4.01 0.00 1.70 1.70 0.83 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 114 G 7.89 3.52 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 0.00 115 H 7.54 4.25 0.00 3.04 3.28 0.00 5.82 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 0.00 116 N 8.00 4.90 0.00 2.87 3.03 0.00 0.00 6.47 7.79 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 0.00 117 L 9.98 4.33 0.00 1.96 1.94 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.17 4.94 1.95 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 1.23 0.34 0.94 0.00 0.00 119 H 9.18 4.94 0.00 3.40 3.15 0.00 5.72 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 0.00 120 G 8.23 4.79 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 0.00 0.00 0.00 121 S 8.09 4.78 0.00 4.07 3.95 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 0.00 122 D 8.70 4.63 0.00 2.71 2.63 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 0.00 0.00 0.00 0.00 123 H 9.01 4.54 0.00 3.33 3.41 0.00 5.57 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.56 4.16 0.00 1.97 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 2.21 2.11 0.00 125 D 8.05 4.65 0.00 2.64 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 0.00 126 E 8.42 3.93 0.00 1.93 1.85 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 2.32 1.91 0.00 127 G 8.83 4.18 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 0.00 128 A 7.82 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.21 4.34 0.00 3.17 3.17 0.00 0.00 6.31 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 0.00 130 E 8.15 4.11 0.00 2.02 2.06 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 2.43 2.32 0.00 131 R 8.29 3.88 0.00 1.89 1.96 0.00 3.11 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 132 E 8.30 3.98 0.00 2.32 1.78 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 2.40 2.40 0.00 133 I 7.68 4.08 1.98 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 1.50 1.42 1.06 0.00 0.00 134 A 7.76 4.06 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 0.00 135 L 7.53 3.95 0.00 1.76 1.56 0.93 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 136 F 7.53 4.19 0.00 2.88 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 0.00 137 F 7.93 4.98 0.00 3.11 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 0.00 138 D 9.83 5.03 0.00 2.53 2.51 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 0.00 139 D 8.70 4.66 0.00 2.69 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 0.00 140 D 7.91 4.71 0.00 2.68 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 0.00 141 E 8.10 4.44 0.00 2.39 2.28 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 2.43 2.35 0.00 142 L 7.65 4.88 0.00 1.47 1.48 0.85 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 143 V 8.33 4.43 2.09 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 0.67 0.00 0.00 0.85 0.00 0.00 144 D 8.65 5.29 0.00 2.62 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 0.00 145 W 8.62 5.05 0.00 3.56 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 0.00 146 D 8.62 4.46 0.00 2.67 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 0.00 147 R 7.84 4.07 0.00 1.07 1.61 0.00 3.25 0.00 0.00 3.31 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 148 D 8.63 4.33 0.00 2.81 2.80 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 0.00 149 A 8.02 4.45 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 0.00 150 S 8.83 4.16 0.00 3.89 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 0.00 151 A 7.84 4.06 1.02 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 0.00 152 W 7.74 4.89 0.00 3.40 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 0.00 153 V 7.66 3.62 1.68 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 -0.34 0.00 0.00 0.88 0.00 0.00 154 Y 7.46 4.90 0.00 2.74 2.67 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 0.00 0.00 0.00 0.00 155 E 8.62 4.24 0.00 1.98 1.93 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 2.33 2.37 0.00 156 D 8.19 4.38 0.00 2.65 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 0.00 157 L 7.96 4.31 0.00 1.65 1.45 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 158 A 7.59 4.26 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 * Residues marked with a * may have inaccurate shift predictions.