NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 5.0584 8.1633 120.7054 55.1772 33.8814 173.9117 2 R 4.9481 9.0409 121.7800 51.8553 34.2701 169.6636 3 V 4.9722 8.4452 121.6219 60.0919 35.7705 173.8148 4 V 4.8683 8.9315 124.1502 61.4278 33.6653 174.0953 5 I 5.0235 8.9064 129.4498 59.7343 39.6118 174.6773 6 Q 5.1968 9.0783 125.9015 53.8392 32.3769 174.8720 7 R 4.2946 8.8419 124.9202 56.4536 31.3713 175.6639 8 V 4.9958 9.0948 120.8550 60.4879 35.8479 176.9566 9 K 4.1941 9.0898 126.4661 57.1279 32.6430 177.6383 10 G 4.3424 7.7056 103.0245 45.7618 0.0000 172.2939 11 A 5.2859 8.5922 121.1473 50.3344 23.3177 175.5056 12 I 4.7396 8.8398 122.0255 59.4843 40.6388 174.2448 13 L 4.9707 8.9475 130.6432 53.8789 43.6930 175.5538 14 S 5.3607 9.4467 121.7669 56.8919 67.2206 173.2743 15 V 4.8824 8.5824 114.3745 59.2859 35.8125 175.5965 16 R 4.3363 8.8886 123.5361 57.0394 30.6164 177.6600 17 K 4.1775 8.0512 124.8091 56.6684 32.8598 177.6071 *25 K 4.3307 7.9972 119.5705 54.6775 33.5518 179.8535 26 E 4.1209 8.2263 119.0732 59.4419 30.0741 180.7981 27 L 4.4308 7.7650 118.2642 55.7495 41.1647 181.1761 28 E 4.7709 9.5658 125.9110 53.2128 32.6534 175.1771 29 I 4.6013 8.3880 127.2332 61.4713 37.6973 175.7325 30 I 4.7038 8.6609 116.9422 60.3839 39.3100 174.9419 31 S 4.6913 7.8611 116.4015 57.6720 65.7428 172.4345 32 E 5.3210 8.4476 125.0291 55.1574 32.4845 173.9456 33 I 4.8393 8.8028 119.2807 58.5669 41.4304 175.2105 34 K 4.5743 9.0296 126.6317 55.7091 30.9744 177.3746 35 N 4.4013 8.5787 123.7202 53.7508 39.0582 175.3875 36 G 4.1937 7.1670 108.1489 45.6928 0.0000 170.3635 37 L 5.2000 8.0451 119.7168 53.0026 44.7333 175.5267 38 I 4.5591 8.5534 123.6850 59.6057 40.1161 173.8931 39 C 5.1282 8.6242 127.1912 57.9696 30.9926 173.1134 40 F 4.8576 9.3216 124.7396 56.5706 40.1341 174.6796 41 L 5.0516 9.7238 127.6434 53.2881 44.3447 175.0355 42 G 4.5062 9.4827 114.7114 44.7618 0.0000 171.9454 43 I 4.9728 8.7208 126.5097 60.3825 39.0972 174.8645 44 H 4.0807 9.6764 129.9420 55.3456 31.0336 176.7285 45 K 3.8033 7.9602 125.0823 57.3554 31.4915 178.9295 46 N 5.0480 8.2083 114.5230 52.8316 39.0720 174.4301 47 D 4.7356 7.6980 118.8631 54.3332 41.6358 176.5029 48 T 4.7999 8.8170 113.8112 59.5793 71.3207 175.4176 49 W 4.4903 8.9444 130.5768 60.7619 30.6186 177.5313 50 E 4.0783 8.1125 117.3249 59.3508 28.6956 179.0468 51 D 4.3528 8.2275 118.8123 57.3444 40.9337 178.7008 52 A 3.9906 7.8778 120.7723 54.9768 18.3398 179.3247 53 L 3.4289 7.7163 117.8553 57.8664 41.5653 179.1320 54 Y 3.8132 7.7184 118.7674 60.6969 38.7163 177.9523 55 I 3.6857 7.5166 120.4203 64.6788 37.2933 178.2650 56 I 3.1754 7.5820 122.6176 64.8573 36.6849 179.1950 57 R 3.7903 7.9248 121.5461 61.5963 29.1934 180.8997 58 K 4.0932 7.9003 119.6015 59.1399 31.7098 179.4589 59 C 4.2301 8.2861 116.9215 62.8392 28.2247 175.7817 60 L 4.2486 7.9846 118.8455 56.4565 41.3831 177.4094 61 N 4.9133 7.6786 113.5320 52.6545 40.9374 174.9877 62 L 3.9284 7.8173 119.4615 55.3112 42.2360 176.8649 63 R 4.7908 8.5917 123.0130 55.5030 28.8364 176.2091 64 L 5.1819 8.5361 120.1494 54.0960 43.2027 176.1155 65 W 4.7345 8.4797 119.8031 54.7527 32.0374 175.5116 66 N 4.9891 8.6334 120.3527 52.3032 39.7047 174.0228 67 N 4.9496 8.3818 116.9166 53.5106 39.2080 175.9542 68 D 4.6486 8.4795 114.3054 54.4637 40.0194 173.8002 69 N 4.9047 8.6697 114.1799 53.5124 41.6169 174.4039 70 K 4.6593 7.6974 116.3069 54.6739 36.1902 175.1244 71 T 4.3958 8.4330 112.9326 61.3069 70.7272 174.4852 72 W 4.1499 7.5422 121.1080 57.7555 26.9044 173.4270 73 D 4.9093 8.8200 117.9093 54.9555 43.6989 177.0758 74 K 4.9583 8.1506 117.1656 54.6094 34.8172 176.0190 75 N 5.6899 9.2021 122.1364 50.7418 39.7349 176.3713 76 V 3.4503 8.7124 118.3616 64.7869 31.1337 178.6137 77 K 3.5262 7.8623 118.5128 59.3538 31.8287 178.5352 78 D 4.3101 8.0037 117.7861 57.2923 40.8788 178.4982 79 L 3.8884 6.9657 115.4118 53.2792 41.9499 175.9858 80 N 4.2909 8.0352 116.0646 54.0767 37.7492 173.4942 81 Y 4.9175 7.8016 114.0042 57.1507 39.8380 174.5612 82 E 4.9478 8.8315 119.7271 54.9919 33.0538 175.3185 83 L 5.1809 8.6855 120.1387 53.0108 45.4880 175.7164 84 L 4.7763 8.8766 126.7020 53.7259 43.3353 175.1346 85 I 4.5324 8.7347 129.3780 59.9331 38.7799 175.1521 86 V 4.6675 8.6292 128.4457 60.5731 34.0066 174.9041 87 S 4.6663 8.6832 123.2219 58.6686 63.8892 174.8080 88 Q 4.5030 9.3625 124.9014 53.6875 29.2714 174.7912 89 F 4.5515 8.2203 119.5192 59.3491 38.3840 177.2323 90 T 4.2079 6.9080 109.7595 64.2116 68.0428 175.7100 91 L 4.0260 7.6558 120.8070 56.6769 41.6239 177.9812 92 F 5.1240 8.3740 116.6231 55.8096 39.3239 175.6583 93 G 3.5006 8.0881 109.2129 45.9599 0.0000 172.7884 94 N 4.6601 9.2860 126.1500 52.6874 39.6485 175.2248 95 T 4.4379 8.3812 116.0181 61.7314 69.8221 175.5127 96 K 4.0272 8.3677 127.1353 57.8711 32.2885 183.0945 97 K 4.5637 7.5964 119.2395 51.5088 31.6090 176.2074 98 G 4.1439 7.7106 108.0454 44.4672 0.0000 172.0580 99 N 4.5737 8.5815 115.7243 52.7058 38.6289 175.2657 100 K 4.3739 7.6020 120.5318 53.4309 32.6769 173.8729 101 P 4.4095 0.0000 0.0000 62.7021 31.8522 175.4806 102 D 4.5510 8.1950 120.0261 51.5115 41.9831 175.9454 103 F 5.4466 8.1636 118.2586 57.4673 39.6259 176.9015 *104 H 4.2948 8.1608 118.1566 58.6242 29.0869 177.6113 105 L 4.0873 7.9248 118.3849 56.5342 42.7835 177.0355 106 A 4.1455 7.6610 123.6407 51.8835 18.7280 178.4573 107 K 3.8656 8.3392 126.9062 55.1456 32.4278 173.6201 108 E 3.9659 8.9032 124.7738 55.2415 30.4800 175.9054 109 P 4.4640 0.0000 0.0000 66.5387 30.8525 179.4963 110 N 4.3572 8.3768 118.0161 57.6080 37.6906 180.1486 111 E 4.2266 8.2515 120.1221 58.9687 29.4891 179.2445 112 A 4.1458 8.3504 121.1842 55.1596 18.3983 179.4225 113 L 2.9529 7.6366 118.2091 57.9300 42.0174 179.1881 114 I 3.6726 7.3789 119.1338 64.3642 37.0227 177.8892 115 F 3.9956 8.4496 121.4011 61.6337 39.1844 176.4198 116 Y 4.3654 8.8339 119.2559 61.0768 38.6834 177.8037 117 N 4.4319 8.9456 120.1711 56.9597 38.6546 178.1099 118 K 3.9598 8.5406 125.4226 59.8127 31.6830 181.0493 119 I 4.0072 8.2118 121.4337 64.5024 37.1553 178.6503 120 I 3.8623 8.1427 120.9848 64.3368 36.6039 178.2683 121 D 4.3679 7.9927 119.0440 57.4298 40.7909 178.0225 122 E 4.1490 8.1193 118.3665 59.3121 29.7716 178.4382 123 F 4.3448 8.3606 117.8085 60.7670 38.8153 177.8944 124 K 4.0068 8.0710 119.0022 59.6607 31.9287 177.9624 *125 K 4.1896 7.7459 121.3057 54.5225 33.3352 177.5084 126 Q 4.5137 8.2542 118.2657 55.4241 31.7672 174.6320 127 Y 4.9107 8.3791 115.2057 57.3622 39.1600 175.4951 128 N 4.8985 8.8176 112.5661 52.1571 42.6410 173.4426 129 D 4.2815 8.8498 125.2174 57.4882 41.4344 177.2862 130 D 4.1813 8.8426 116.4658 55.5216 41.4846 176.4107 131 K 4.1155 7.7741 117.2589 56.8900 32.6890 175.4879 132 I 4.6469 6.9471 120.1009 59.6312 38.2119 175.3740 133 K 4.6619 8.9227 127.8313 55.0998 34.3603 175.9010 134 I 5.1713 7.6053 114.8290 58.4825 41.4269 173.6408 135 G 4.1052 8.1954 108.5701 44.3478 0.0000 173.3159 136 K 4.3871 8.3951 120.9768 54.5308 31.4085 175.5499 137 F 3.8821 8.7210 128.5948 59.8333 39.4404 175.8440 138 G 3.9603 8.1555 115.0479 45.6333 0.0000 172.8565 139 N 4.9359 7.5923 116.6447 51.2353 40.4036 174.3453 140 Y 4.0759 8.5056 122.1460 58.2170 39.4454 175.2886 141 M 4.9066 7.2959 125.0761 53.4049 36.2821 174.0171 142 N 4.7480 9.0858 121.1902 51.9764 41.2692 173.4470 143 I 4.8367 8.2592 126.8492 59.5547 39.8592 174.8928 144 D 4.6407 8.8163 128.8498 53.7063 41.8536 175.9226 145 V 4.6306 8.3734 123.5518 61.4230 34.2285 175.3210 146 T 4.3964 8.7467 125.4374 62.2748 68.7263 173.2611 147 N 4.8046 8.5938 124.1540 53.1731 39.4791 174.7837 148 D 4.2899 9.9587 125.1784 55.3120 40.7345 173.7320 149 G 3.5943 8.8056 116.3544 44.4696 0.0000 171.4817 150 P 4.5325 0.0000 0.0000 61.0927 33.0613 175.6628 151 V 4.3908 8.0499 116.8134 61.6601 34.2710 173.8317 152 T 5.0902 8.6824 124.7175 61.8546 70.7338 173.8174 153 I 4.6840 9.0217 127.2581 59.5658 40.8015 173.9927 154 Y 5.2496 8.5310 125.2588 56.0011 42.0232 174.5922 155 I 4.4619 7.3986 125.1830 59.5048 41.9679 173.4699 156 D 5.2274 8.3931 126.1837 52.4016 43.0190 176.4069 157 T 3.6652 8.8069 117.7507 64.0390 69.2033 174.9308 158 H 4.7016 8.0515 118.3424 56.0637 28.5861 175.0316 159 D 4.5493 7.7972 125.9108 54.4695 40.8596 176.2332 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.16 5.06 0.00 1.73 2.02 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.15 0.00 2 R 9.04 4.95 0.00 1.37 1.65 0.00 2.25 0.00 0.00 3.22 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 3 V 8.45 4.97 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 0.66 0.00 0.00 1.06 0.00 0.00 4 V 8.93 4.87 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 1.09 0.00 0.00 1.10 0.00 0.00 5 I 8.91 5.02 1.90 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 1.27 0.55 0.93 0.00 0.00 6 Q 9.08 5.20 0.00 2.06 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.01 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 7 R 8.84 4.29 0.00 1.63 1.79 0.00 2.21 0.00 0.00 2.49 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.62 0.00 8 V 9.09 5.00 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 0.74 0.00 0.00 0.99 0.00 0.00 9 K 9.09 4.19 0.00 1.51 1.71 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.69 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.26 7.81 10 G 7.71 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 11 A 8.59 5.29 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 12 I 8.84 4.74 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 1.11 0.67 0.91 0.00 0.00 13 L 8.95 4.97 0.00 1.67 1.51 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 14 S 9.45 5.36 0.00 3.76 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 15 V 8.58 4.88 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.97 0.00 0.00 16 R 8.89 4.34 0.00 1.86 1.88 0.00 3.06 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.74 0.00 17 K 8.05 4.18 0.00 1.88 1.71 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.23 7.81 *25 K 8.00 4.33 0.00 1.79 1.77 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 26 E 8.23 4.12 0.00 1.89 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 2.31 1.87 0.00 27 L 7.76 4.43 0.00 1.42 1.58 0.92 0.72 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 28 E 9.57 4.77 0.00 1.97 1.80 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 2.20 2.26 0.00 29 I 8.39 4.60 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.66 0.95 0.00 0.00 30 I 8.66 4.70 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.67 0.93 0.00 0.00 31 S 7.86 4.69 0.00 3.92 3.67 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 32 E 8.45 5.32 0.00 1.97 1.74 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 2.18 2.46 0.00 33 I 8.80 4.84 1.84 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 1.20 0.69 0.88 0.00 0.00 34 K 9.03 4.57 0.00 1.70 1.39 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.51 7.81 35 N 8.58 4.40 0.00 1.44 1.44 0.00 0.00 6.68 7.59 0.00 0.00 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 G 7.17 4.19 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 0.00 0.00 0.00 37 L 8.05 5.20 0.00 1.67 1.60 1.08 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.55 4.56 1.77 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 1.44 0.99 0.00 0.00 39 C 8.62 5.13 0.00 2.78 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 40 F 9.32 4.86 0.00 2.96 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 9.72 5.05 0.00 1.83 1.75 1.22 0.94 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 42 G 9.48 4.51 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 0.00 43 I 8.72 4.97 2.02 0.00 0.00 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 1.46 1.11 0.63 0.00 0.00 44 H 9.68 4.08 0.00 3.15 3.40 0.00 5.60 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.96 3.80 0.00 1.80 1.73 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.40 1.30 7.81 46 N 8.21 5.05 0.00 2.65 2.82 0.00 0.00 6.93 8.06 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 47 D 7.70 4.74 0.00 2.44 2.41 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 48 T 8.82 4.80 4.41 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 1.30 0.00 0.00 49 W 8.94 4.49 0.00 3.38 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 50 E 8.11 4.08 0.00 2.25 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 0.00 2.33 2.23 0.00 51 D 8.23 4.35 0.00 3.11 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.88 3.99 0.98 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 0.00 0.00 53 L 7.72 3.43 0.00 1.58 1.55 0.57 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 7.72 3.81 0.00 3.18 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 55 I 7.52 3.69 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.85 1.01 0.00 0.00 56 I 7.58 3.18 1.49 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.06 0.08 0.00 0.00 57 R 7.92 3.79 0.00 1.79 1.95 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 58 K 7.90 4.09 0.00 1.69 1.77 0.00 1.51 0.00 0.00 1.43 0.00 0.00 2.57 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.76 1.22 7.81 59 C 8.29 4.23 0.00 3.41 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.98 4.25 0.00 1.62 1.65 1.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 61 N 7.68 4.91 0.00 2.66 2.78 0.00 0.00 6.99 8.82 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 62 L 7.82 3.93 0.00 1.81 1.64 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 63 R 8.59 4.79 0.00 2.01 2.16 0.00 3.12 0.00 0.00 3.40 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.91 0.00 64 L 8.54 5.18 0.00 0.88 1.38 0.81 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 65 W 8.48 4.73 0.00 3.48 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 66 N 8.63 4.99 0.00 2.53 2.65 0.00 0.00 6.65 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 67 N 8.38 4.95 0.00 2.75 2.77 0.00 0.00 7.39 8.27 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 68 D 8.48 4.65 0.00 2.96 2.83 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 69 N 8.67 4.90 0.00 2.69 2.79 0.00 0.00 6.92 6.54 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 70 K 7.70 4.66 0.00 1.81 1.64 0.00 1.80 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.42 7.81 71 T 8.43 4.40 3.83 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 1.12 0.00 0.00 72 W 7.54 4.15 0.00 3.54 3.35 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 73 D 8.82 4.91 0.00 2.68 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 74 K 8.15 4.96 0.00 1.81 1.66 0.00 1.64 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.34 7.81 75 N 9.20 5.69 0.00 3.01 3.21 0.00 0.00 6.61 7.82 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 76 V 8.71 3.45 2.49 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 1.01 0.00 0.00 1.18 0.00 0.00 77 K 7.86 3.53 0.00 1.73 1.58 0.00 1.38 0.00 0.00 1.46 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.30 0.94 7.81 78 D 8.00 4.31 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 79 L 6.97 3.89 0.00 0.27 0.13 0.23 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 80 N 8.04 4.29 0.00 2.67 2.85 0.00 0.00 7.16 7.89 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 81 Y 7.80 4.92 0.00 2.69 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.83 4.95 0.00 1.92 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 2.22 2.29 0.00 83 L 8.69 5.18 0.00 1.41 1.29 1.11 0.39 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 84 L 8.88 4.78 0.00 1.67 1.44 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 85 I 8.73 4.53 1.78 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.35 0.96 0.00 0.00 86 V 8.63 4.67 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 0.98 0.00 0.00 0.72 0.00 0.00 87 S 8.68 4.67 0.00 3.45 3.40 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 88 Q 9.36 4.50 0.00 2.21 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 89 F 8.22 4.55 0.00 3.37 3.30 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 90 T 6.91 4.21 4.19 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 0.34 0.00 0.00 91 L 7.66 4.03 0.00 1.54 1.46 0.99 0.71 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 92 F 8.37 5.12 0.00 3.37 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 93 G 8.09 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.29 4.66 0.00 2.69 2.86 0.00 0.00 6.30 5.94 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 95 T 8.38 4.44 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 1.16 0.00 0.00 96 K 8.37 4.03 0.00 1.83 1.77 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.26 7.81 97 K 7.60 4.56 0.00 1.73 1.62 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 0.96 7.81 98 G 7.71 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 99 N 8.58 4.57 0.00 2.71 2.84 0.00 0.00 6.71 7.61 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 0.00 100 K 7.60 4.37 0.00 1.67 1.69 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.40 7.81 101 P 0.00 4.41 0.00 1.78 1.93 0.00 3.76 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 102 D 8.20 4.55 0.00 2.80 2.62 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 0.00 103 F 8.16 5.45 0.00 3.12 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 *104 H 8.16 4.29 0.00 3.17 3.12 0.00 7.21 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 0.00 105 L 7.92 4.09 0.00 1.55 1.35 1.07 0.90 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 0.00 106 A 7.66 4.15 1.46 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 0.00 0.00 0.00 107 K 8.34 3.87 0.00 1.56 1.63 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.79 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.40 1.28 7.81 108 E 8.90 3.97 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 2.38 2.29 0.00 109 P 0.00 4.46 0.00 2.23 2.20 0.00 3.62 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 110 N 8.38 4.36 0.00 2.75 2.81 0.00 0.00 6.99 7.80 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 0.00 111 E 8.25 4.23 0.00 2.19 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 0.00 2.36 2.40 0.00 112 A 8.35 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.64 2.95 0.00 0.81 1.51 0.32 0.71 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 0.00 114 I 7.38 3.67 2.08 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 1.39 0.52 0.91 0.00 0.00 115 F 8.45 4.00 0.00 3.46 3.38 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 0.00 116 Y 8.83 4.37 0.00 3.47 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 0.00 117 N 8.95 4.43 0.00 2.94 2.89 0.00 0.00 7.21 6.82 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 0.00 118 K 8.54 3.96 0.00 1.72 1.82 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.36 7.81 119 I 8.21 4.01 2.16 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.77 1.01 0.00 0.00 120 I 8.14 3.86 1.93 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.84 0.90 0.00 0.00 121 D 7.99 4.37 0.00 2.90 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.12 4.15 0.00 2.25 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 2.20 2.27 0.00 123 F 8.36 4.34 0.00 3.31 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 0.00 124 K 8.07 4.01 0.00 1.96 1.90 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.72 7.81 *125 K 7.75 4.19 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.53 7.81 126 Q 8.25 4.51 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.26 2.57 0.00 127 Y 8.38 4.91 0.00 2.94 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 0.00 128 N 8.82 4.90 0.00 2.46 1.70 0.00 0.00 6.51 8.49 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 0.00 129 D 8.85 4.28 0.00 2.78 2.62 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 D 8.84 4.18 0.00 2.55 2.70 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 0.00 131 K 7.77 4.12 0.00 1.13 1.42 0.00 1.62 0.00 0.00 1.52 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.95 0.72 7.81 132 I 6.95 4.65 1.84 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.01 0.79 0.00 0.00 133 K 8.92 4.66 0.00 1.80 1.68 0.00 1.45 0.00 0.00 1.65 0.00 0.00 3.15 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.40 7.81 134 I 7.61 5.17 2.12 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.54 0.92 0.00 0.00 135 G 8.20 4.11 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 0.00 0.00 0.00 136 K 8.40 4.39 0.00 1.83 1.76 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.48 7.81 137 F 8.72 3.88 0.00 2.81 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 0.00 138 G 8.16 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 0.00 139 N 7.59 4.94 0.00 2.90 2.81 0.00 0.00 6.88 7.56 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 0.00 140 Y 8.51 4.08 0.00 2.96 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 0.00 141 M 7.30 4.91 0.00 1.75 1.70 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.44 0.00 142 N 9.09 4.75 0.00 2.80 2.69 0.00 0.00 6.99 7.85 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 0.00 143 I 8.26 4.84 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.75 0.91 0.00 0.00 144 D 8.82 4.64 0.00 2.63 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 0.00 145 V 8.37 4.63 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 0.87 0.00 0.00 1.00 0.00 0.00 146 T 8.75 4.40 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 1.22 0.00 0.00 147 N 8.59 4.80 0.00 2.62 2.77 0.00 0.00 6.98 8.06 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 0.00 148 D 9.96 4.29 0.00 2.75 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 0.00 149 G 8.81 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.53 0.00 2.18 2.09 0.00 3.46 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.07 0.00 151 V 8.05 4.39 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 1.24 0.00 0.00 0.99 0.00 0.00 152 T 8.68 5.09 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 1.25 0.00 0.00 153 I 9.02 4.68 1.88 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 1.10 1.08 0.89 0.00 0.00 154 Y 8.53 5.25 0.00 2.90 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 I 7.40 4.46 1.74 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 0.83 0.99 0.00 0.00 156 D 8.39 5.23 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 T 8.81 3.67 4.07 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 1.32 0.00 0.00 158 H 8.05 4.70 0.00 3.24 3.31 0.00 5.62 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 7.80 4.55 0.00 2.81 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 * Residues marked with a * may have inaccurate shift predictions.