NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 Q 4.0162 8.2033 119.5677 55.6938 30.5424 173.7326 13 F 5.2574 8.2381 122.1274 55.2219 41.5688 173.9923 14 L 4.3501 9.3798 124.0636 55.5732 43.2563 176.8230 15 R 5.3443 8.8394 122.2744 54.8051 34.3661 172.6521 16 T 4.3530 8.6644 108.5162 63.7307 70.0457 175.3909 17 D 4.6107 9.3226 121.2383 54.6841 39.5186 174.1723 18 D 4.6546 7.4513 119.6268 54.0142 42.5489 175.2560 19 E 4.8869 8.7165 122.1000 55.3673 31.1619 175.5647 20 V 4.9903 9.4054 118.3586 59.5598 36.3004 174.9729 21 V 4.8244 8.8782 114.8420 59.6989 35.3506 175.1149 22 L 5.0846 8.6165 125.8913 54.1647 43.3944 176.0772 23 Q 5.4920 9.2745 124.9899 53.9915 32.2185 170.8516 24 C 4.8120 9.3333 117.2412 57.4251 33.4160 173.5945 25 S 5.1181 8.4733 119.7491 57.6691 63.1425 172.3506 26 A 4.7729 8.8050 126.2257 49.4700 22.9803 174.6760 27 T 4.8289 8.5447 113.2262 61.3656 70.3746 175.3597 28 V 4.4076 8.6865 127.3976 61.4487 34.8363 173.3963 29 L 3.5315 8.9662 122.5556 54.8618 40.0174 171.0359 *31 E 4.2561 7.8080 115.3081 57.3987 31.3105 175.6129 32 Q 4.7842 8.5833 122.2789 55.3041 29.1823 174.8909 33 L 4.8063 9.4187 126.6162 52.4546 45.6352 177.0186 34 K 4.6331 8.5870 125.7979 54.3062 32.7112 175.0386 35 L 5.1650 8.8620 128.2582 52.6550 43.3701 175.7459 36 C 5.3863 8.8890 119.6614 55.9892 32.2063 173.1964 37 L 4.4573 9.1899 124.0799 55.3714 42.9797 175.5284 38 A 4.8471 8.6539 125.8420 50.6569 22.9602 174.6654 39 A 5.0594 8.4949 121.9782 51.3941 22.5689 176.3272 40 E 4.5903 8.8778 118.0488 54.6601 32.3333 177.8371 41 G 3.8135 8.7100 112.8326 46.4530 0.0000 173.4376 *45 R 4.3262 7.9497 124.4498 55.6412 31.4287 174.8332 46 L 4.5689 8.2314 115.6658 56.5090 42.6444 177.0407 47 C 4.8596 8.9871 121.2650 59.2343 29.6253 172.8443 48 F 5.3062 8.9745 118.0568 55.1012 41.0387 174.0063 49 L 5.0927 8.9089 119.9099 53.3497 43.7788 175.9726 50 E 4.8330 8.7773 120.9470 53.9791 32.8697 174.0404 51 P 4.9713 0.0000 0.0000 62.6425 32.5840 175.5598 52 T 4.5646 7.8038 111.8068 60.0744 69.8423 174.6949 53 S 4.0894 8.8205 120.5920 60.0639 62.9609 172.2782 *59 P 4.2407 0.0000 0.0000 61.3466 32.3015 174.5986 60 P 4.3261 0.0000 0.0000 65.0915 31.4577 176.2442 61 D 4.5700 7.8354 121.0068 51.6054 41.0518 175.6929 62 L 4.1084 8.4894 125.0876 56.3080 41.5383 175.8812 63 A 3.9388 8.1752 121.7729 56.1913 18.5644 178.9763 64 I 4.0447 7.5986 111.2511 60.7201 36.0461 178.4609 65 C 4.7791 7.3768 114.6542 59.8131 29.0833 173.2833 66 C 4.4269 7.5548 122.0862 59.0774 32.2612 171.9383 67 F 5.2177 9.3984 125.6677 55.7559 42.2206 174.2018 68 T 4.9019 8.9816 113.8189 60.0356 70.9873 174.2186 69 L 4.6413 8.8176 127.0244 54.7321 40.4528 177.4253 70 E 4.0119 9.0589 126.8654 59.3524 30.2496 177.2216 71 Q 4.7888 7.9122 118.1228 53.9760 33.1243 175.1278 72 S 5.3113 8.8073 115.3930 56.6317 64.8639 173.0591 73 L 5.0774 9.1472 126.6694 52.6830 46.1912 176.8065 74 S 4.3338 8.3210 116.0196 57.4583 64.4603 175.4718 75 V 3.4174 8.2685 119.6228 66.2887 31.1366 177.9510 76 R 3.8191 7.8429 117.6070 59.2805 29.8060 178.1285 77 A 3.9360 7.5454 119.3519 54.7123 18.2863 179.5009 78 L 3.6231 7.8591 121.4682 58.9438 42.1625 179.8634 79 Q 3.9079 7.8878 120.6128 60.0779 27.7611 179.8479 80 E 4.2223 8.0104 122.2327 59.8094 29.9531 179.1531 81 M 4.1983 7.4531 119.4259 59.5005 31.2402 182.4009 82 L 4.2589 7.6055 118.9083 57.4701 41.8943 179.1035 83 A 4.1881 7.9954 121.9874 53.5215 18.5006 179.0258 84 N 4.1944 8.0060 118.4995 56.5890 37.1474 181.8423 *94 Q 4.6498 8.9387 116.1551 55.4977 31.5539 179.6092 95 G 3.7683 8.2115 106.4488 48.1092 0.0000 173.7955 96 G 3.7824 9.2198 115.2685 44.1703 0.0000 174.2657 97 G 3.8789 7.6598 105.5956 46.6451 0.0000 172.2503 98 H 4.2408 7.6203 116.8866 56.8099 26.5986 175.9989 99 R 4.7745 8.4074 119.6383 54.9795 32.8466 178.7880 100 T 4.4342 8.4739 120.6044 62.8192 69.1005 174.4094 101 L 4.1971 9.0838 127.5576 54.7951 43.1885 176.2106 102 L 5.0668 8.0224 121.0518 52.7491 46.3333 175.5823 103 Y 4.3589 8.5689 120.4693 59.1651 38.3081 176.2862 104 G 4.1351 8.8866 113.5191 46.1080 0.0000 174.0350 105 H 4.5759 8.2562 115.4695 55.7218 30.2271 174.4659 106 A 5.4168 9.5999 123.8376 50.5071 21.3163 176.0541 107 I 5.0635 9.2568 115.1094 59.0674 41.2332 174.1184 108 L 4.2098 8.3799 126.4922 53.3489 43.9584 174.8439 109 L 4.8309 8.4816 126.4469 53.1972 44.0511 175.2515 110 R 4.5799 8.6270 125.8709 54.4696 31.9745 174.7269 111 H 3.8824 9.2991 127.9109 55.9899 30.0840 175.9037 112 A 3.8433 8.2006 130.4883 55.4166 18.4975 178.1211 113 H 4.2208 7.8103 114.6539 58.3591 30.0640 175.8394 114 S 4.4221 8.1079 113.3577 57.7644 63.9830 174.8586 115 R 3.6972 7.8001 118.0136 57.3573 27.3030 181.0367 116 M 4.6731 7.2274 116.5227 54.9036 35.4579 174.2971 117 Y 5.1632 8.4020 117.2015 55.9562 41.1659 175.3954 118 L 4.8509 9.0286 126.3235 55.4477 43.2859 175.7728 119 S 5.2014 8.9721 120.8532 56.5934 66.7757 172.9700 120 C 4.6600 8.5625 123.5014 58.7487 31.3855 173.3692 121 L 4.4709 9.0340 129.7781 55.5154 42.0413 178.2512 122 T 4.5310 8.6115 111.3687 61.6679 69.3797 175.2311 123 T 4.5133 7.6865 110.8687 61.6919 70.7145 175.3638 124 S 4.9716 8.1172 125.5158 58.6402 63.5474 175.0155 *130 K 4.3366 8.6876 123.3747 55.2326 33.4795 174.5920 131 L 4.9048 7.7570 117.2263 54.5946 41.2830 175.5540 132 A 5.0099 7.3313 118.6985 51.6644 22.9234 175.8936 133 F 5.2082 8.9381 117.4696 55.5938 43.4551 174.6462 134 D 4.9377 9.5315 121.7819 54.3534 42.5218 175.4990 135 V 4.8609 8.4835 120.5613 61.1348 34.5156 173.0438 136 G 4.1141 8.9695 117.6388 45.3707 0.0000 171.3183 137 L 5.5267 8.7614 123.5631 52.9375 45.3410 175.8481 138 Q 4.6446 8.9481 124.6808 54.9454 31.8617 176.8295 139 E 4.0861 9.2882 122.3707 58.2553 30.0756 175.4405 140 D 5.1284 7.8838 116.3262 51.2606 42.7257 175.9642 141 A 3.9266 8.1064 126.7479 52.1194 17.5848 178.0756 142 T 4.5950 7.5154 113.2690 59.6041 72.3968 176.0457 143 G 3.9614 8.8645 110.7391 43.7550 0.0000 172.2791 144 E 4.4457 8.6880 115.3845 57.2731 31.2874 177.9111 145 A 3.7493 8.0824 121.9287 55.1606 18.3954 178.1696 146 C 5.0919 7.8060 107.0740 57.2420 30.0357 172.6761 147 W 4.9373 7.9091 120.9729 55.0473 31.6042 174.6783 148 W 5.4153 9.0201 123.9906 55.0644 32.5283 174.3322 149 T 5.0969 9.4257 115.1754 60.6512 70.7773 173.5640 150 M 5.0357 8.6073 124.5896 55.0952 33.7447 175.0430 151 H 4.9905 9.2137 119.4536 53.8290 33.0363 171.6525 152 P 3.9741 0.0000 0.0000 64.6150 31.6811 176.3424 *159 E 4.1624 7.7975 131.1095 59.1968 29.6950 174.9615 160 G 4.1229 9.1823 115.3074 45.1366 0.0000 172.1606 161 E 4.3523 8.0673 120.1029 55.6549 31.0367 176.2535 162 K 4.4659 8.4407 123.4456 56.7989 34.0556 176.5890 163 V 3.9332 8.3329 123.2880 62.1318 32.2642 175.5293 164 R 4.8726 9.0781 127.7983 55.4573 31.9761 176.3519 165 V 3.7281 8.8317 122.9626 65.3268 31.5388 175.9941 166 G 4.1343 9.1871 115.5462 45.4268 0.0000 172.6959 167 D 4.7084 7.7212 120.3788 53.5384 41.7283 175.8488 168 D 4.8498 8.6494 123.6505 54.2832 41.6613 175.7020 169 L 5.2198 9.5139 123.0919 53.0040 45.9817 175.5744 170 I 4.9273 8.8413 122.2301 59.8107 39.9905 174.5453 171 L 5.2120 8.8742 127.8120 53.3605 43.5994 175.6462 172 V 4.8860 8.8007 124.3977 60.8596 34.2980 174.6389 173 S 3.9394 8.6942 123.4746 58.0521 62.6096 175.1136 174 V 3.4860 8.2648 127.7825 66.1947 31.4356 177.5287 175 S 4.0802 7.9777 114.5031 60.6580 62.3332 174.6113 176 S 4.3095 7.4642 110.6877 56.8367 64.4534 173.2132 177 E 3.7064 7.8964 119.6505 57.9182 27.3164 174.3199 178 R 4.3790 7.2024 115.3174 54.2343 34.5898 175.7719 179 Y 5.0053 8.3250 120.2425 57.6219 39.4850 174.8600 180 L 4.4794 9.1365 126.0906 55.8839 42.6972 175.5803 181 H 5.2097 9.8449 127.1584 53.9415 33.0332 172.4509 182 L 4.5451 8.8421 128.9218 55.1720 42.8300 176.3233 183 S 4.7238 9.2829 120.8511 56.9474 66.2032 172.9028 184 T 4.8153 8.6499 114.8491 59.7440 70.2227 173.9942 185 A 4.4386 8.4642 127.0950 53.3230 24.0486 176.3501 *189 L 4.2982 7.7922 120.5619 55.7358 41.6559 180.8848 190 Q 5.1627 8.9436 124.8238 53.7783 32.7889 177.1964 191 V 5.1498 7.9901 114.3376 61.8718 34.2740 174.7033 192 D 5.0316 9.4659 121.2967 52.5762 43.9471 173.2112 193 A 5.4666 9.1338 120.5569 50.5948 21.2723 175.9766 194 S 4.6348 8.6926 116.4243 57.7070 66.4946 175.0038 195 F 4.4524 8.8187 117.3170 60.3543 39.0307 176.4183 196 M 4.3739 7.6069 120.2906 54.8365 32.3778 175.6590 197 Q 4.7888 8.3074 120.1196 54.6789 31.2230 174.9650 198 T 4.4621 8.1003 114.4801 61.6197 71.9916 173.6625 199 L 4.4816 8.2780 126.2914 54.3125 42.4091 176.3210 200 W 5.0393 9.4701 123.9099 54.9078 32.8716 174.4266 201 N 5.1542 9.4894 119.8956 52.0422 41.1868 173.7970 202 M 4.7726 9.0265 126.9181 54.8380 32.1590 174.7565 203 N 4.9711 8.8369 123.3476 50.5103 39.4527 171.6958 204 P 4.7808 0.0000 0.0000 62.6952 32.8427 177.3183 205 I 3.5994 8.4608 117.8232 60.5266 35.9552 173.9735 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 12 Q 8.20 4.02 0.00 1.88 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.27 0.00 13 F 8.24 5.26 0.00 3.03 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 14 L 9.38 4.35 0.00 1.67 1.59 0.92 0.98 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 15 R 8.84 5.34 0.00 1.48 1.73 0.00 3.27 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.41 0.00 16 T 8.66 4.35 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 1.26 0.00 0.00 17 D 9.32 4.61 0.00 2.52 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 18 D 7.45 4.65 0.00 2.90 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 19 E 8.72 4.89 0.00 1.91 1.86 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 2.30 2.31 0.00 20 V 9.41 4.99 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 0.75 0.00 0.00 0.96 0.00 0.00 21 V 8.88 4.82 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 0.88 0.00 0.00 0.98 0.00 0.00 22 L 8.62 5.08 0.00 1.37 1.39 0.45 0.17 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 23 Q 9.27 5.49 0.00 1.69 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.75 0.00 0.00 0.00 0.00 0.00 2.17 2.13 0.00 24 C 9.33 4.81 0.00 2.27 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 0.00 0.00 0.00 25 S 8.47 5.12 0.00 3.41 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 26 A 8.80 4.77 1.10 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 0.00 0.00 27 T 8.54 4.83 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 28 V 8.69 4.41 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 0.70 0.00 0.00 0.93 0.00 0.00 29 L 8.97 3.53 0.00 1.78 1.64 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 *31 E 7.81 4.26 0.00 2.06 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 0.00 2.36 2.32 0.00 32 Q 8.58 4.78 0.00 1.86 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.77 0.00 0.00 0.00 0.00 0.00 2.26 1.96 0.00 33 L 9.42 4.81 0.00 1.48 1.53 0.92 0.90 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 34 K 8.59 4.63 0.00 1.44 1.73 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.79 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.40 1.03 7.81 35 L 8.86 5.17 0.00 1.63 1.63 0.88 0.71 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 36 C 8.89 5.39 0.00 3.07 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 37 L 9.19 4.46 0.00 1.77 1.52 0.77 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.65 4.85 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.49 5.06 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 40 E 8.88 4.59 0.00 1.75 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.86 0.00 41 G 8.71 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 *45 R 7.95 4.33 0.00 1.78 1.89 0.00 3.26 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.00 46 L 8.23 4.57 0.00 1.57 1.72 0.96 0.94 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 47 C 8.99 4.86 0.00 2.94 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 48 F 8.97 5.31 0.00 3.20 3.09 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 49 L 8.91 5.09 0.00 1.72 1.67 1.07 0.93 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 50 E 8.78 4.83 0.00 1.85 1.83 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 2.42 2.13 0.00 51 P 0.00 4.97 0.00 1.95 1.99 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 52 T 7.80 4.56 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 1.27 0.00 0.00 53 S 8.82 4.09 0.00 3.86 3.93 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 *59 P 0.00 4.24 0.00 2.10 2.01 0.00 3.74 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 1.92 2.08 0.00 60 P 0.00 4.33 0.00 2.20 2.20 0.00 3.72 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 2.02 1.99 0.00 61 D 7.84 4.57 0.00 2.72 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 62 L 8.49 4.11 0.00 1.60 1.72 0.92 1.00 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 63 A 8.18 3.94 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 64 I 7.60 4.04 1.87 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 1.41 0.74 0.91 0.00 0.00 65 C 7.38 4.78 0.00 3.05 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 66 C 7.55 4.43 0.00 3.06 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 67 F 9.40 5.22 0.00 2.98 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 68 T 8.98 4.90 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 1.15 0.00 0.00 69 L 8.82 4.64 0.00 1.63 1.68 0.98 0.62 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 70 E 9.06 4.01 0.00 2.08 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.32 0.00 71 Q 7.91 4.79 0.00 1.72 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.63 0.00 0.00 0.00 0.00 0.00 2.25 1.91 0.00 72 S 8.81 5.31 0.00 3.88 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 73 L 9.15 5.08 0.00 1.41 1.34 0.82 0.57 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 74 S 8.32 4.33 0.00 3.82 3.65 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 75 V 8.27 3.42 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.89 0.00 0.00 76 R 7.84 3.82 0.00 1.86 1.84 0.00 3.20 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 77 A 7.55 3.94 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 78 L 7.86 3.62 0.00 1.33 1.58 -0.75 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 7.89 3.91 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 80 E 8.01 4.22 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 98 H 7.62 4.24 0.00 3.52 3.38 0.00 5.58 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 R 8.41 4.77 0.00 1.42 1.76 0.00 3.27 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.44 0.00 100 T 8.47 4.43 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 1.12 0.00 0.00 101 L 9.08 4.20 0.00 1.67 1.45 0.96 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.02 5.07 0.00 1.20 1.40 0.77 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 8.57 4.36 0.00 3.06 2.88 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 0.00 104 G 8.89 4.14 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 0.00 105 H 8.26 4.58 0.00 3.40 3.28 0.00 5.79 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 0.00 106 A 9.60 5.42 1.34 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 0.00 107 I 9.26 5.06 1.90 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 1.25 1.12 0.96 0.00 0.00 108 L 8.38 4.21 0.00 0.66 1.26 -0.28 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.48 4.83 0.00 1.52 1.48 0.39 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 110 R 8.63 4.58 0.00 1.79 1.67 0.00 3.33 0.00 0.00 2.92 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.00 111 H 9.30 3.88 0.00 2.96 3.07 0.00 5.64 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 0.00 112 A 8.20 3.84 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 0.00 113 H 7.81 4.22 0.00 3.20 3.27 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 8.11 4.42 0.00 3.97 3.96 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 123 T 7.69 4.51 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 1.25 0.00 0.00 124 S 8.12 4.97 0.00 3.77 3.62 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 0.00 0.00 0.00 0.00 *130 K 8.69 4.34 0.00 1.80 1.76 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 131 L 7.76 4.90 0.00 2.10 2.00 1.03 0.44 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 0.00 132 A 7.33 5.01 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 0.00 133 F 8.94 5.21 0.00 2.94 3.09 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 0.00 134 D 9.53 4.94 0.00 2.70 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 0.00 135 V 8.48 4.86 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 D 7.72 4.71 0.00 2.87 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 0.00 168 D 8.65 4.85 0.00 2.59 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 0.00 169 L 9.51 5.22 0.00 1.69 1.69 0.95 1.14 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 0.00 170 I 8.84 4.93 2.13 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 1.31 0.99 1.05 0.00 0.00 171 L 8.87 5.21 0.00 1.62 1.68 0.88 0.28 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 0.00 172 V 8.80 4.89 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 0.81 0.00 0.00 1.12 0.00 0.00 173 S 8.69 3.94 0.00 3.05 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 0.00 174 V 8.26 3.49 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 0.64 0.00 0.00 0.97 0.00 0.00 175 S 7.98 4.08 0.00 3.65 3.57 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 0.00 176 S 7.46 4.31 0.00 3.51 3.39 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 0.00 177 E 7.90 3.71 0.00 2.02 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 2.15 2.16 0.00 178 R 7.20 4.38 0.00 1.58 1.78 0.00 2.93 0.00 0.00 3.53 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.44 0.00 179 Y 8.33 5.01 0.00 3.24 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 0.00 180 L 9.14 4.48 0.00 1.43 1.62 0.29 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 181 H 9.84 5.21 0.00 3.54 3.55 0.00 5.83 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 L 8.84 4.55 0.00 1.40 1.33 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 183 S 9.28 4.72 0.00 3.92 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 0.00 184 T 8.65 4.82 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 185 A 8.46 4.44 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 *189 L 7.79 4.30 0.00 1.38 1.65 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 190 Q 8.94 5.16 0.00 1.66 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 191 V 7.99 5.15 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 0.96 0.00 0.00 1.12 0.00 0.00 192 D 9.47 5.03 0.00 3.02 2.89 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 0.00 193 A 9.13 5.47 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 0.00 194 S 8.69 4.63 0.00 3.97 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 F 8.82 4.45 0.00 3.16 3.23 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 0.00 196 M 7.61 4.37 0.00 1.82 1.64 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.70 0.00 197 Q 8.31 4.79 0.00 1.74 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 1.99 2.16 0.00 198 T 8.10 4.46 4.36 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 0.43 0.00 0.00 199 L 8.28 4.48 0.00 1.38 1.54 0.85 0.87 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 0.00 200 W 9.47 5.04 0.00 3.19 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 0.00 201 N 9.49 5.15 0.00 2.68 2.73 0.00 0.00 7.12 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 0.00 202 M 9.03 4.77 0.00 1.87 2.04 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.47 0.00 203 N 8.84 4.97 0.00 2.43 2.70 0.00 0.00 6.65 7.28 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 0.00 204 P 0.00 4.78 0.00 2.07 2.10 0.00 3.89 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 205 I 8.46 3.60 1.87 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 1.16 0.58 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.