NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 T 4.3324 8.0327 117.3738 63.7732 70.9273 175.6742 8 Q 3.7936 8.3339 122.1681 58.8813 28.8650 176.8404 9 Q 4.0277 8.8307 119.9676 59.1783 29.1361 178.0457 10 M 4.0855 7.9323 119.0800 58.1623 31.9890 178.3730 11 A 4.0141 8.3680 121.3651 55.1927 18.6101 179.6738 12 V 3.5386 7.8580 116.6741 66.2420 31.5718 178.0137 13 S 4.1113 8.3959 113.0560 61.5948 62.2627 176.1787 14 I 3.7430 8.4921 123.1730 64.4524 36.8525 178.4072 15 I 3.8750 8.1389 120.8915 64.6567 36.9066 178.2647 16 N 4.3697 8.3220 117.1495 56.5129 38.3066 177.6502 17 S 4.1158 8.2778 116.5470 61.5308 62.8685 176.7319 18 S 4.0968 8.1304 115.9226 61.3015 62.1785 176.0036 19 F 3.4963 7.7123 123.2303 61.1517 39.0468 176.8750 20 E 3.4606 8.2759 118.2376 59.0952 29.1170 179.3375 21 A 3.8948 8.0283 120.7401 55.1048 18.4381 179.5028 22 A 3.8947 7.8912 119.3147 55.1327 18.3809 180.1017 23 V 3.2926 7.2816 116.6311 66.1794 31.6537 178.3587 24 V 3.5907 7.7058 117.7201 65.8667 31.2338 177.8051 25 A 3.8912 8.1530 120.2393 55.1105 18.3007 179.2434 26 A 3.7908 8.0096 119.2344 55.6607 18.3672 179.5515 27 T 3.1337 8.3389 111.7029 65.2162 67.4228 176.1784 28 S 4.2851 8.5918 115.5415 60.5359 63.0738 176.3139 29 A 3.9781 7.7952 125.2248 54.9744 18.0832 179.4454 30 L 3.9639 7.7971 117.5507 57.9596 41.7467 179.3800 31 E 4.0344 8.0678 119.2588 59.4243 29.4442 178.3100 32 N 4.5231 8.1271 115.2701 55.7687 39.0397 175.6441 33 M 4.5224 7.4510 118.3870 54.1703 32.4581 175.7830 34 G 3.9455 7.8855 106.7324 46.7643 0.0000 173.8248 35 I 4.4208 7.9852 122.8133 59.4615 39.0198 176.8243 36 E 4.2787 8.7289 121.4316 56.1199 30.4187 172.0975 37 Y 4.6865 7.3707 114.3856 56.0603 40.2323 173.2717 38 D 4.8268 8.3472 120.1471 52.7654 43.2999 175.6205 39 Y 4.5119 8.8573 128.0409 61.6733 38.7309 178.1820 40 Q 3.8796 8.4125 117.8812 59.1421 28.8446 178.5806 41 D 4.3310 8.6379 118.9494 57.6982 41.3728 178.5404 42 I 3.7450 7.9887 120.1484 64.1831 37.1025 177.9695 43 Y 3.7488 8.3785 120.9751 60.6867 38.6157 178.0594 44 S 4.1567 8.3545 114.1653 61.3022 62.5977 176.3252 45 R 3.8969 8.0480 120.7839 59.4122 29.8701 179.2864 46 V 3.6827 7.7277 117.9787 65.6261 31.3979 178.0560 47 K 3.7366 8.0005 119.3621 59.4780 32.0980 178.4104 48 N 4.3090 8.1833 116.7887 56.2602 38.4800 177.2784 49 K 3.9889 7.9675 120.2689 59.5139 32.3587 178.4234 50 F 3.9714 8.6852 121.3065 61.5291 39.2953 176.8111 51 D 4.3866 8.6556 118.7276 57.3981 40.6537 178.6213 52 F 4.0771 8.3557 121.1216 61.1141 39.3751 177.3341 53 V 3.4454 8.5629 120.6297 66.9611 31.3933 178.6086 54 M 3.8358 7.9724 120.4519 59.4116 31.0811 179.7760 55 D 4.3211 7.9924 118.6769 57.2944 41.3649 177.8003 56 D 4.0622 7.7049 117.9258 57.2457 41.1287 178.2028 57 S 4.1857 7.8189 113.4819 59.1273 63.2210 175.4233 58 G 3.8215 7.8474 110.4933 46.2401 0.0000 175.4305 59 V 3.6502 7.4534 119.6327 64.8970 31.6706 177.8947 60 K 4.0454 7.9292 119.8819 59.6315 32.1252 178.4635 61 N 4.3020 8.0784 116.2867 56.1761 38.3700 176.4769 62 N 4.1895 7.7840 118.2452 56.3795 38.8735 175.1838 63 P 4.2115 0.0000 0.0000 65.6253 31.5386 178.6620 64 I 3.8315 7.6185 118.3715 64.2926 37.0137 178.7014 65 G 3.5705 8.1006 106.3868 47.8274 0.0000 175.8741 66 K 3.9505 8.1377 121.2145 58.9339 32.0331 179.1770 67 A 4.0119 8.8992 122.1715 55.4275 18.2657 179.7973 68 I 3.6719 8.0613 118.5634 64.7866 37.1327 178.7899 69 T 3.8556 7.9026 116.6427 66.6233 68.1823 176.7980 70 I 3.7602 7.5981 121.3989 64.2225 36.9137 178.0140 71 D 4.3298 7.7852 118.7803 57.5433 40.9338 178.5849 72 Q 4.0329 8.1332 118.0714 59.0664 28.8716 178.8841 73 A 3.4682 7.8633 121.5092 55.0120 18.1133 179.4931 74 L 4.0572 7.7594 116.1638 56.6267 41.6721 177.8835 75 N 4.6988 7.7521 116.3035 52.8965 39.1473 174.1038 76 N 3.8524 7.4239 113.1369 53.8080 36.3047 175.3317 77 K 4.4263 6.9885 118.3679 54.6889 31.9560 176.5865 78 F 4.4831 8.1944 118.1928 57.6742 39.4079 176.4200 79 G 3.8719 7.6627 107.1918 48.2982 0.0000 175.7763 80 S 4.1272 8.0314 114.5641 60.8685 62.6086 175.7890 81 A 4.0981 8.0213 123.0382 55.2727 18.1642 179.5178 82 I 3.7303 8.7692 119.2287 64.5347 37.1151 178.6267 83 R 3.9581 8.0286 119.6615 59.2278 29.8813 178.0943 84 N 4.4369 8.7139 119.8625 57.3261 39.0290 177.6368 85 R 4.0124 8.1377 121.8936 61.6768 29.5686 180.1949 86 N 4.5648 8.2991 117.6446 55.8250 38.3147 177.0969 87 W 4.2830 8.2693 128.5967 60.8342 30.9400 177.8392 88 L 3.7363 8.1687 117.2566 57.3099 41.0975 178.8817 89 A 4.2281 7.7964 119.4590 52.5509 19.2178 177.4387 90 D 4.2877 7.5347 117.6772 55.0121 41.3844 178.0736 91 T 3.7923 8.6766 114.0617 64.5575 68.6552 174.8475 92 S 4.4877 7.8109 115.3960 58.1823 64.0227 175.4147 93 R 3.6004 7.8932 122.0458 59.2373 29.5950 176.2520 94 P 4.1210 0.0000 0.0000 65.3797 31.2702 178.3548 95 A 3.9265 7.8620 118.9615 55.1108 18.3408 179.6081 96 K 3.8682 8.2266 117.1721 59.7977 32.1437 179.7164 97 L 4.0493 8.3238 119.4771 57.7089 41.4293 179.2848 98 D 4.3142 8.5030 119.3519 57.4716 40.7472 178.7417 99 E 3.9596 8.4423 119.2763 59.2081 29.4392 178.7310 100 D 4.2489 8.0749 118.1380 57.4267 41.2992 178.2516 101 V 3.5615 8.4292 118.9757 66.1046 31.4296 177.4687 102 N 4.2468 8.2928 116.4630 56.6479 38.6182 176.6711 103 K 3.8668 7.7043 118.3542 59.6168 32.5933 178.7429 104 L 4.1398 7.7899 118.7862 58.1821 41.1932 180.0363 105 R 3.9762 8.2150 117.8506 59.3588 29.7131 178.8319 106 M 4.0900 8.0552 117.3832 58.6705 32.2320 177.9004 107 M 4.2242 7.6450 118.0034 57.6217 33.0498 177.2302 108 L 4.1580 7.3852 120.4540 54.4626 41.6985 176.6389 *112 G 3.7516 7.7138 111.6807 47.1169 0.0000 174.8322 113 I 3.4151 8.5200 117.0839 60.7524 34.2927 172.1553 114 D 4.4724 7.9582 122.3386 59.1612 40.7950 179.1919 115 Q 3.9979 8.0163 120.4506 60.0824 28.1420 180.0510 116 K 4.0575 8.1449 121.5317 59.9301 31.5487 178.5001 117 M 4.0833 8.2840 118.7548 58.1889 31.6916 178.5028 118 R 4.0711 7.9956 119.0013 59.6293 28.7634 178.7832 119 V 3.6735 7.6828 117.2972 65.9797 31.4904 178.0343 120 L 4.4075 8.1782 118.8598 58.0428 41.3128 179.2893 121 N 4.3577 9.3902 115.3932 55.7687 38.5234 176.4539 122 A 4.3072 7.4564 118.6369 53.0098 19.0949 177.3512 123 C 4.3978 7.1934 112.8058 58.9813 30.6170 174.0576 124 F 5.3505 8.0655 116.6495 55.5251 42.4788 174.5061 125 S 4.8006 9.1392 115.6938 56.5441 65.4044 172.6680 126 V 4.7657 8.6169 128.8234 62.0269 33.0005 175.1926 127 K 4.8632 9.3395 130.5472 53.5889 36.7463 171.3726 128 R 4.7519 8.1589 116.5343 56.5509 33.0657 174.6598 129 I 3.9156 8.5507 127.6386 60.2537 37.6639 173.4191 130 P 4.1423 0.0000 0.0000 64.2335 31.4549 176.6710 131 G 3.9573 8.9682 111.1829 45.1998 0.0000 173.4255 132 K 4.4145 7.7050 118.9900 55.2640 33.3632 176.8315 133 S 4.3454 8.3468 115.8332 59.5573 63.9212 174.5751 134 S 4.4572 7.6976 115.2374 57.3594 64.4098 171.7369 135 S 5.0014 8.1864 114.2358 56.6339 66.2912 173.0879 136 I 4.6386 8.5844 119.3346 59.6178 40.5664 174.8459 137 I 4.8612 8.6064 129.5880 60.1258 39.1282 175.7084 138 K 4.8722 9.2091 130.5111 53.7795 35.2879 172.4048 139 C 5.2199 8.3497 117.8846 56.9552 32.6598 173.3555 140 T 4.3142 8.5484 110.7228 61.5405 69.8064 176.4236 141 K 4.1542 8.7002 129.5469 60.3249 31.6761 180.7128 142 L 4.2096 7.9444 122.9250 59.7549 40.6892 181.3269 143 M 4.2654 8.6290 122.0536 59.2380 32.1828 178.5840 144 R 4.2618 8.5478 123.5155 62.6689 29.2595 180.6132 145 D 4.6441 8.8590 123.7115 58.9417 39.9112 181.4511 146 K 4.4177 8.1363 126.5912 60.0979 31.9551 181.4112 147 L 4.4799 8.8155 127.0823 59.7314 41.5786 181.5689 148 E 4.6277 8.8342 121.9140 57.3966 27.5775 178.6890 149 R 4.8861 7.0202 118.3823 56.1020 37.7003 177.8462 150 G 3.8117 7.5111 103.4389 44.8076 0.0000 172.1623 151 E 4.1010 8.2887 118.9283 56.9372 29.8405 176.5659 152 V 4.3804 8.0550 120.5932 62.1348 34.6319 174.6976 153 E 4.5813 8.6661 122.7683 54.8367 31.0704 173.3451 154 V 4.0692 8.2236 119.7888 61.6530 33.6860 171.8214 155 D 4.6157 8.3283 128.9486 54.6967 39.2114 175.0533 156 D 4.4391 8.7275 126.8953 58.3829 39.4467 175.5128 157 S 4.3313 8.1077 116.2577 62.6990 62.7664 176.7809 *158 F 3.9779 7.4373 121.8899 62.0670 37.9435 179.0224 159 V 3.8906 7.8148 118.4454 66.2243 31.2478 177.4571 160 D 4.4212 8.0124 120.5939 58.2208 40.5238 179.3995 161 E 4.4094 8.3770 119.9261 60.3721 29.6235 180.2208 162 K 4.6732 8.2429 120.8977 55.5451 33.0655 182.1397 163 M 3.5645 8.3817 124.6000 55.8438 31.8497 179.2756 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 7 T 8.03 4.33 4.58 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 1.25 0.00 0.00 8 Q 8.33 3.79 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 9 Q 8.83 4.03 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 10 M 7.93 4.09 0.00 2.07 2.28 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.61 0.00 11 A 8.37 4.01 1.39 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 0.00 0.00 12 V 7.86 3.54 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.97 0.00 0.00 13 S 8.40 4.11 0.00 3.99 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.49 3.74 2.05 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 1.55 0.95 0.95 0.00 0.00 15 I 8.14 3.88 2.13 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.90 1.16 0.00 0.00 16 N 8.32 4.37 0.00 2.99 2.92 0.00 0.00 7.08 6.85 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 17 S 8.28 4.12 0.00 4.04 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 18 S 8.13 4.10 0.00 4.03 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 0.00 19 F 7.71 3.50 0.00 1.60 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 20 E 8.28 3.46 0.00 2.13 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 2.29 2.33 0.00 21 A 8.03 3.89 1.37 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 0.00 0.00 22 A 7.89 3.89 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 23 V 7.28 3.29 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 -0.02 0.00 0.00 24 V 7.71 3.59 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 0.93 0.00 0.00 1.00 0.00 0.00 25 A 8.15 3.89 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 26 A 8.01 3.79 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.34 3.13 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 1.32 0.00 0.00 28 S 8.59 4.29 0.00 4.06 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 29 A 7.80 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 30 L 7.80 3.96 0.00 1.71 2.08 0.91 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.07 4.03 0.00 2.22 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 2.36 2.39 0.00 32 N 8.13 4.52 0.00 2.78 2.85 0.00 0.00 7.21 7.68 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 33 M 7.45 4.52 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.54 0.00 34 G 7.89 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 0.00 0.00 0.00 35 I 7.99 4.42 2.07 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 1.19 0.91 0.99 0.00 0.00 36 E 8.73 4.28 0.00 1.99 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 2.23 1.86 0.00 37 Y 7.37 4.69 0.00 3.02 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 38 D 8.35 4.83 0.00 2.76 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 39 Y 8.86 4.51 0.00 3.19 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 40 Q 8.41 3.88 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.58 2.43 0.00 41 D 8.64 4.33 0.00 2.83 2.96 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 42 I 7.99 3.75 1.81 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.52 0.76 0.00 0.00 43 Y 8.38 3.75 0.00 2.31 2.82 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 0.00 0.00 0.00 44 S 8.35 4.16 0.00 4.06 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.05 3.90 0.00 1.90 1.95 0.00 3.19 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 46 V 7.73 3.68 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 1.07 0.00 0.00 0.90 0.00 0.00 47 K 8.00 3.74 0.00 1.91 1.76 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.30 1.21 7.81 48 N 8.18 4.31 0.00 2.94 2.86 0.00 0.00 6.73 6.99 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 49 K 7.97 3.99 0.00 1.95 2.05 0.00 1.57 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.57 7.81 50 F 8.69 3.97 0.00 3.40 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 51 D 8.66 4.39 0.00 2.87 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 52 F 8.36 4.08 0.00 3.20 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 53 V 8.56 3.45 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 0.80 0.00 0.00 1.02 0.00 0.00 54 M 7.97 3.84 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 55 D 7.99 4.32 0.00 2.71 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 56 D 7.70 4.06 0.00 1.58 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.82 4.19 0.00 3.97 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 58 G 7.85 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.45 3.65 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 0.77 0.00 0.00 0.87 0.00 0.00 60 K 7.93 4.05 0.00 1.91 1.72 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.48 7.81 61 N 8.08 4.30 0.00 2.87 3.00 0.00 0.00 6.70 6.92 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 62 N 7.78 4.19 0.00 2.79 2.93 0.00 0.00 7.19 8.93 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 63 P 0.00 4.21 0.00 2.19 2.08 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 64 I 7.62 3.83 1.95 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 1.45 0.68 0.89 0.00 0.00 65 G 8.10 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 0.00 0.00 0.00 66 K 8.14 3.95 0.00 1.96 1.86 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.58 7.81 67 A 8.90 4.01 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 68 I 8.06 3.67 2.01 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 1.50 0.84 0.88 0.00 0.00 69 T 7.90 3.86 4.40 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 1.22 0.00 0.00 70 I 7.60 3.76 2.03 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 1.53 0.77 0.91 0.00 0.00 71 D 7.79 4.33 0.00 2.80 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 72 Q 8.13 4.03 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 73 A 7.86 3.47 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 L 7.76 4.06 0.00 1.80 1.70 0.91 0.85 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 75 N 7.75 4.70 0.00 2.60 2.79 0.00 0.00 7.24 7.36 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 76 N 7.42 3.85 0.00 2.91 2.95 0.00 0.00 6.67 7.15 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 77 K 6.99 4.43 0.00 1.74 1.64 0.00 1.60 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.46 7.81 78 F 8.19 4.48 0.00 3.12 3.10 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 79 G 7.66 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.03 4.13 0.00 3.88 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 81 A 8.02 4.10 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 I 8.77 3.73 2.19 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 1.44 1.10 0.95 0.00 0.00 83 R 8.03 3.96 0.00 1.98 2.11 0.00 3.07 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 84 N 8.71 4.44 0.00 2.87 3.07 0.00 0.00 7.30 7.31 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 85 R 8.14 4.01 0.00 1.87 1.92 0.00 3.33 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 1.56 1.55 0.00 86 N 8.30 4.56 0.00 2.82 2.97 0.00 0.00 6.73 7.05 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 87 W 8.27 4.28 0.00 3.31 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 88 L 8.17 3.74 0.00 1.86 1.70 1.04 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.80 4.23 1.37 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 0.00 0.00 90 D 7.53 4.29 0.00 2.81 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 91 T 8.68 3.79 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 92 S 7.81 4.49 0.00 3.86 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 93 R 7.89 3.60 0.00 1.74 1.72 0.00 2.21 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.17 0.00 94 P 0.00 4.12 0.00 2.12 2.01 0.00 3.50 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 95 A 7.86 3.93 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 96 K 8.23 3.87 0.00 1.86 1.87 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.61 7.81 97 L 8.32 4.05 0.00 1.54 1.68 0.59 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 98 D 8.50 4.31 0.00 2.86 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.44 3.96 0.00 1.99 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 2.58 0.00 100 D 8.07 4.25 0.00 2.88 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 0.00 101 V 8.43 3.56 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 1.01 0.00 0.00 0.98 0.00 0.00 102 N 8.29 4.25 0.00 2.96 2.92 0.00 0.00 7.24 6.34 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 0.00 103 K 7.70 3.87 0.00 1.91 1.87 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.68 1.64 7.81 104 L 7.79 4.14 0.00 1.91 1.72 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.22 3.98 0.00 1.97 1.98 0.00 3.12 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 106 M 8.06 4.09 0.00 2.01 2.21 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 2.61 2.72 0.00 107 M 7.64 4.22 0.00 2.06 2.32 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.58 0.00 108 L 7.39 4.16 0.00 1.80 1.69 0.92 0.80 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 *112 G 7.71 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 0.00 0.00 0.00 113 I 8.52 3.42 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 0.58 0.91 0.00 0.00 114 D 7.96 4.47 0.00 2.66 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 0.00 115 Q 8.02 4.00 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.84 0.00 0.00 0.00 0.00 0.00 2.37 1.99 0.00 116 K 8.14 4.06 0.00 1.82 2.07 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.58 7.81 117 M 8.28 4.08 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.89 0.00 118 R 8.00 4.07 0.00 2.00 2.14 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 119 V 7.68 3.67 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 1.00 0.00 0.00 0.94 0.00 0.00 120 L 8.18 4.41 0.00 1.95 1.89 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 121 N 9.39 4.36 0.00 2.79 2.90 0.00 0.00 7.03 7.23 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 0.00 122 A 7.46 4.31 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 0.00 123 C 7.19 4.40 0.00 2.08 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 0.00 0.00 0.00 124 F 8.07 5.35 0.00 2.89 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 0.00 125 S 9.14 4.80 0.00 3.89 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 0.00 126 V 8.62 4.77 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 0.81 0.00 0.00 0.95 0.00 0.00 127 K 9.34 4.86 0.00 1.38 1.63 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.25 1.21 7.81 128 R 8.16 4.75 0.00 1.72 1.75 0.00 3.16 0.00 0.00 3.28 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 129 I 8.55 3.92 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 1.40 0.40 0.89 0.00 0.00 130 P 0.00 4.14 0.00 2.01 2.02 0.00 3.68 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 131 G 8.97 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 0.00 132 K 7.71 4.41 0.00 1.89 1.69 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.32 7.81 133 S 8.35 4.35 0.00 3.93 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 0.00 134 S 7.70 4.46 0.00 3.97 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 0.00 135 S 8.19 5.00 0.00 3.94 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 8.58 4.64 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 1.21 1.10 0.91 0.00 0.00 137 I 8.61 4.86 1.82 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 1.14 0.51 0.84 0.00 0.00 138 K 9.21 4.87 0.00 1.36 1.62 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.25 1.21 7.81 139 C 8.35 5.22 0.00 2.98 3.27 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 0.00 140 T 8.55 4.31 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 141 K 8.70 4.15 0.00 1.78 1.86 0.00 1.81 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.07 7.81 142 L 7.94 4.21 0.00 1.64 1.72 0.92 0.77 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 M 8.63 4.27 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.53 0.00 144 R 8.55 4.26 0.00 1.81 1.94 0.00 3.34 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 145 D 8.86 4.64 0.00 2.73 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 0.00 146 K 8.14 4.42 0.00 1.86 1.76 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.33 7.81 147 L 8.82 4.48 0.00 1.58 1.70 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.83 4.63 0.00 2.02 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 2.26 2.19 0.00 149 R 7.02 4.89 0.00 1.77 1.79 0.00 3.29 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.17 0.00 150 G 7.51 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 0.00 151 E 8.29 4.10 0.00 2.08 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 2.29 2.40 0.00 152 V 8.05 4.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.01 0.00 0.00 153 E 8.67 4.58 0.00 2.02 1.71 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 2.18 1.85 0.00 154 V 8.22 4.07 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 0.00 155 D 8.33 4.62 0.00 2.92 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 0.00 156 D 8.73 4.44 0.00 2.68 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 0.00 157 S 8.11 4.33 0.00 3.85 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 *158 F 7.44 3.98 0.00 2.33 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 V 7.81 3.89 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 1.02 0.00 0.00 0.91 0.00 0.00 160 D 8.01 4.42 0.00 2.83 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 E 8.38 4.41 0.00 2.05 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 2.26 2.21 0.00 162 K 8.24 4.67 0.00 1.68 1.65 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 1.20 7.81 163 M 8.38 3.56 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.