NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 E 4.2473 8.4444 120.2216 55.6940 31.4404 174.6106 17 I 4.2772 7.6021 120.0271 59.5412 39.5299 173.2593 18 Q 4.6861 9.7839 129.3402 53.9850 31.7957 174.5511 19 I 4.0372 8.6362 125.9404 61.2830 37.9427 176.3296 20 G 4.0141 8.1943 114.5198 44.0150 0.0000 172.3336 21 P 4.3757 0.0000 0.0000 65.6322 32.1140 177.9380 22 G 4.1838 8.4807 108.3395 45.7147 0.0000 171.3786 23 S 4.4467 8.3255 115.6720 57.8880 66.2302 176.2655 24 A 4.1257 8.3765 122.2498 55.2237 18.3653 178.1313 25 T 4.6746 7.4822 106.0626 60.3929 69.5734 174.0087 26 R 5.0838 8.0720 120.1185 56.8926 34.4544 173.0276 27 L 4.9991 8.9380 126.7748 53.0719 44.4049 175.3368 28 E 4.9799 8.2044 121.5057 54.6790 33.1503 174.8926 29 F 5.5203 8.4786 119.4211 56.3787 44.1638 173.6229 30 R 5.1434 8.8389 118.5269 55.0700 34.8481 174.2588 31 R 4.8457 8.8573 122.0474 55.3114 33.9538 173.0992 32 H 5.1358 8.4823 125.3266 55.2191 31.4623 174.1151 33 F 4.5476 8.7347 122.4853 55.5344 43.0920 174.5679 34 A 4.6045 8.6517 125.3280 49.7013 16.3510 176.1042 35 A 4.3528 7.4788 121.2951 50.9085 22.4626 176.6716 36 T 4.1799 8.4856 111.2191 60.4103 69.8947 174.0389 37 P 4.2238 0.0000 0.0000 66.6346 30.5968 178.2120 38 E 4.0496 7.6969 114.5748 59.4010 29.4515 179.4684 39 Q 4.0277 8.6790 118.3536 58.7675 28.9835 178.3047 40 L 3.7916 7.7335 120.9142 57.6064 41.9902 178.6761 41 W 3.9940 8.7555 128.8907 60.2165 30.6286 177.8944 42 A 4.0017 7.9852 120.4895 55.1005 17.5906 179.5061 43 A 4.0104 7.6603 118.0356 54.7855 18.5096 179.0603 44 L 4.5084 7.4479 115.1963 55.5447 42.1826 177.3406 45 T 3.0797 6.9423 106.4979 59.8025 69.9854 173.8773 46 S 4.5866 7.6346 118.0912 56.3540 64.0839 172.8074 47 P 4.2425 0.0000 0.0000 65.4141 31.1989 178.1566 48 A 4.1485 7.6252 118.6537 54.0728 18.5330 178.6143 49 L 4.4881 7.6022 116.4231 56.3454 42.8966 178.4032 50 L 3.6963 7.9206 119.0436 57.6587 41.3866 177.9156 51 P 4.2941 0.0000 0.0000 64.7894 31.3481 177.9494 52 A 4.3844 8.2159 119.5424 53.7184 18.4379 178.0550 53 W 5.0852 7.7512 110.4993 57.2584 30.9568 175.7699 54 L 3.7492 6.8230 122.4983 52.2868 39.5080 174.6836 55 F 4.8521 7.1872 115.8416 55.6052 41.0413 173.4253 56 A 4.6033 8.3167 123.4507 49.5439 21.5224 175.4120 57 R 4.1579 8.6352 119.4600 58.2067 30.2977 176.5663 58 G 3.9741 9.4000 113.0294 45.7162 0.0000 172.7563 59 W 5.5952 8.4117 117.4359 52.7882 30.6620 174.7627 60 P 4.5110 0.0000 0.0000 62.9618 30.5477 180.5734 *62 T 4.3391 8.6037 107.5434 61.0069 70.5110 172.0356 63 E 4.6057 7.7396 123.3885 55.1108 33.6896 173.5378 64 C 4.8578 8.4308 126.5687 58.2301 34.5850 172.8443 65 V 4.3702 8.7127 127.0638 60.9936 33.8117 174.3058 66 F 4.6040 8.7539 130.2469 57.1689 41.8689 173.5233 67 E 4.6399 8.5077 128.0377 53.0387 30.9360 175.7717 68 P 4.9435 0.0000 0.0000 61.8897 30.5008 175.1071 69 H 5.0058 7.3227 113.4915 54.0299 32.1423 173.0458 70 K 3.9557 8.6879 121.3873 58.3846 32.0273 177.0564 71 G 3.9696 8.9485 114.5161 45.1775 0.0000 173.7361 72 G 3.7752 8.2514 107.8876 45.5930 0.0000 172.9344 73 L 4.6890 9.5447 125.3180 53.9918 44.2034 175.4175 74 I 4.4986 8.2472 125.1413 59.3692 40.7401 174.6589 75 R 4.7947 9.2322 127.6911 55.1450 33.0402 173.4334 76 Q 4.7851 8.5512 125.3193 53.8764 32.2358 175.1057 77 V 4.8339 7.9441 122.0500 60.9174 35.3824 173.9906 78 W 5.2058 10.2304 127.7255 55.2948 32.2583 174.5063 79 T 4.9635 9.0644 120.2152 62.1479 70.6147 173.5396 80 G 3.5261 8.2410 118.4564 42.8045 0.0000 170.4834 81 P 4.1129 0.0000 0.0000 64.2515 31.7846 175.9929 82 E 3.5981 9.5038 118.7854 57.0138 27.0415 175.3640 83 G 3.8764 7.8814 104.2254 45.9041 0.0000 174.4823 84 R 4.3242 7.6212 117.1144 56.0667 30.6177 175.9738 85 T 5.3832 8.5731 112.1906 60.5397 71.5956 173.7320 86 R 4.8237 9.3072 122.4698 55.0522 33.7329 174.0881 87 G 4.8177 8.8209 111.5975 45.5188 0.0000 171.1169 88 L 5.3268 9.0483 119.9254 54.3353 44.5432 175.3380 89 T 4.9820 8.4070 114.8973 62.3510 73.4050 173.2626 90 G 4.6731 8.2438 109.4502 46.7497 0.0000 171.9436 91 R 5.0538 8.4633 119.6803 53.9746 33.3111 174.5771 92 V 3.8987 8.6283 127.4623 63.5433 31.9885 176.4929 93 I 4.1567 9.2132 129.8822 63.5725 38.1440 176.3231 94 L 4.6834 7.6165 119.2282 54.6684 43.5921 174.3946 95 A 5.1230 8.6601 122.5980 51.0491 21.9167 175.9112 96 E 4.5601 9.5348 124.2257 53.4086 29.7600 172.6720 97 P 2.9700 0.0000 0.0000 61.7356 31.5876 175.3940 98 P 3.1595 0.0000 0.0000 62.1920 32.3036 175.7826 99 H 4.6367 7.1625 115.0286 57.9053 29.3607 174.7134 100 R 5.4085 7.9952 119.9777 55.1217 34.0491 173.5239 101 L 5.3797 9.2775 126.7907 53.8487 46.3161 174.6178 102 I 5.2559 8.9864 126.2250 59.9362 40.7178 174.0905 103 H 5.5132 9.0627 122.2524 53.7093 32.5804 172.8026 104 S 5.0058 8.5321 113.7996 57.8179 65.2350 172.8960 105 E 5.0538 8.9553 119.9880 54.7264 34.0057 174.6362 106 L 4.7509 8.5030 125.8600 53.9109 45.2228 175.0138 107 Y 4.6039 8.8079 124.0974 56.8664 38.9204 176.4207 108 D 4.7794 8.4462 122.1718 53.0398 39.0437 177.3076 109 E 4.5778 8.0505 114.9136 56.5401 33.0331 176.5240 110 D 4.0739 8.1803 128.9301 54.7742 39.6132 175.0069 *114 G 3.7389 7.4109 108.4410 44.9311 0.0000 170.2294 115 E 4.4042 8.6189 120.5730 56.1793 30.0055 176.2598 116 T 4.5899 8.8552 117.7557 60.1561 72.1372 173.2534 117 L 4.9062 8.3177 124.0126 53.3863 44.6887 175.0679 118 V 4.7036 8.7696 127.3640 61.8488 33.4870 174.6010 119 T 5.1347 8.8968 124.1183 61.7562 71.4467 173.2280 120 L 5.0564 9.3123 126.5799 52.9692 44.8797 175.3456 121 Q 5.0678 9.0334 124.2405 54.3689 32.5029 173.4425 122 L 5.3403 9.0694 127.1442 52.8943 43.9039 175.7815 123 L 4.8525 8.4966 124.5235 53.1064 43.4427 174.0799 124 P 4.6891 0.0000 0.0000 62.4736 31.9848 175.8455 125 V 4.3941 8.1686 123.7388 60.1109 34.6026 174.0064 126 E 4.1774 8.5396 123.6628 57.5072 29.6374 175.0950 127 G 4.2683 9.1409 118.1942 45.7953 0.0000 173.8210 128 G 4.0846 7.8311 110.4482 46.5879 0.0000 176.4951 129 T 5.0181 6.9664 119.4696 61.5302 73.7083 171.7131 130 E 5.0065 9.2039 125.6813 54.4199 32.4271 174.2580 131 L 4.8026 9.5050 130.1448 53.8164 43.8237 175.5056 132 A 5.3777 9.0433 128.4250 49.5961 22.3102 174.9233 *134 A 4.6051 8.1783 119.1535 52.0546 20.5714 175.9605 135 V 4.6634 8.9074 122.1161 61.2596 34.3575 173.9311 136 D 5.3571 9.0117 129.0230 53.4537 42.4791 176.2323 137 Y 4.5462 8.6304 121.2333 56.5207 39.8232 176.3590 138 A 4.1160 8.9307 123.1911 55.1440 18.7724 178.3176 139 T 4.7641 7.5084 104.5897 58.9598 72.7595 173.0786 140 P 5.0051 0.0000 0.0000 64.6387 31.1810 178.5382 141 E 4.2257 8.1010 115.9987 58.7287 29.8939 178.3130 142 A 3.9758 8.6315 121.8081 54.8969 18.5113 179.2026 143 R 3.1047 7.6781 117.5067 59.1194 29.8953 178.2795 144 D 4.3225 7.4487 117.0857 56.4400 40.9385 177.5808 145 A 4.2211 8.0176 119.4805 51.6845 19.1969 176.9688 146 V 4.0949 6.7691 117.3831 60.6084 33.5927 174.7929 147 A 4.4785 8.2114 129.0773 50.2873 19.6076 177.3184 148 A 4.2414 8.5856 124.9811 54.0373 16.4868 178.3872 149 S 4.0494 7.5527 113.4159 60.2111 63.5531 174.7783 150 A 4.3994 7.5042 123.6182 51.8887 18.8454 178.5788 *152 A 4.1056 7.7440 124.0765 52.5825 20.9742 178.5756 153 T 4.2194 7.1562 110.4438 65.1542 69.1698 175.2626 154 E 4.3440 7.5180 120.9614 56.6555 30.2497 178.1300 *156 E 4.2873 8.3115 120.9154 56.2828 31.3816 176.9317 157 E 3.8225 7.8281 118.7285 59.4969 29.5024 178.8272 158 A 3.7898 7.7889 120.5208 55.2462 18.3270 179.2576 159 Y 4.5548 7.6696 114.8152 60.9733 37.9361 178.5307 160 R 3.9046 8.1561 119.9544 59.7827 30.0265 178.0744 161 H 4.2953 7.5323 114.3515 59.1107 28.8347 177.1040 162 L 4.0633 8.0771 120.6371 58.1162 42.0789 178.5138 163 D 4.6528 8.4911 119.1994 57.3721 40.7286 179.8463 164 V 3.5994 7.6251 115.2990 63.7780 31.4926 177.4468 *166 L 4.1738 7.8698 117.5223 54.3649 43.4517 178.8986 167 A 3.9635 8.0930 119.4822 55.2759 18.2675 178.8773 168 A 4.1148 8.2563 117.2395 54.4121 19.0742 178.1824 169 L 4.3404 7.5280 118.5816 53.6034 40.4308 176.6893 170 E 4.1228 7.8758 121.2811 56.9276 29.3594 175.0964 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 16 E 8.44 4.25 0.00 1.88 1.94 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 2.14 2.26 0.00 17 I 7.60 4.28 2.18 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.05 1.01 0.00 0.00 18 Q 9.78 4.69 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 19 I 8.64 4.04 1.87 0.00 0.00 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 1.36 0.79 0.83 0.00 0.00 20 G 8.19 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.38 0.00 2.17 2.17 0.00 3.84 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 22 G 8.48 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 23 S 8.33 4.45 0.00 3.97 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 24 A 8.38 4.13 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 25 T 7.48 4.67 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 1.28 0.00 0.00 26 R 8.07 5.08 0.00 1.96 1.80 0.00 3.08 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.77 0.00 27 L 8.94 5.00 0.00 1.85 1.34 1.08 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.20 4.98 0.00 1.73 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 2.26 2.25 0.00 29 F 8.48 5.52 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 30 R 8.84 5.14 0.00 1.74 1.78 0.00 3.50 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 31 R 8.86 4.85 0.00 1.70 1.37 0.00 3.01 0.00 0.00 2.95 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.85 0.00 32 H 8.48 5.14 0.00 3.09 3.05 0.00 5.92 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.73 4.55 0.00 2.79 2.72 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 0.00 0.00 0.00 34 A 8.65 4.60 1.24 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 35 A 7.48 4.35 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 36 T 8.49 4.18 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 1.24 0.00 0.00 37 P 0.00 4.22 0.00 2.29 2.42 0.00 3.71 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 2.09 2.11 0.00 38 E 7.70 4.05 0.00 2.11 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 2.30 2.34 0.00 39 Q 8.68 4.03 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 40 L 7.73 3.79 0.00 1.62 1.73 0.08 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 W 8.76 3.99 0.00 3.50 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 42 A 7.99 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.66 4.01 1.15 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 0.00 0.00 44 L 7.45 4.51 0.00 1.30 1.58 0.78 0.60 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 45 T 6.94 3.08 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 46 S 7.63 4.59 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 47 P 0.00 4.24 0.00 2.05 2.30 0.00 3.72 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.32 0.00 48 A 7.63 4.15 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 49 L 7.60 4.49 0.00 1.80 1.86 0.94 0.71 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 50 L 7.92 3.70 0.00 1.56 1.49 0.68 0.79 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 51 P 0.00 4.29 0.00 1.97 2.02 0.00 3.59 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 2.04 2.03 0.00 52 A 8.22 4.38 1.48 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 53 W 7.75 5.09 0.00 3.66 3.25 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 54 L 6.82 3.75 0.00 0.27 0.90 0.65 0.44 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 55 F 7.19 4.85 0.00 3.62 3.22 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 56 A 8.32 4.60 1.17 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 0.00 0.00 57 R 8.64 4.16 0.00 1.88 2.00 0.00 3.35 0.00 0.00 3.29 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 58 G 9.40 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 0.00 0.00 0.00 59 W 8.41 5.60 0.00 3.22 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 60 P 0.00 4.51 0.00 2.13 1.16 0.00 4.01 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 2.19 1.90 0.00 *62 T 8.60 4.34 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 63 E 7.74 4.61 0.00 1.87 1.62 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 2.10 2.18 0.00 64 C 8.43 4.86 0.00 2.77 2.65 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 65 V 8.71 4.37 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 0.77 0.00 0.00 0.92 0.00 0.00 66 F 8.75 4.60 0.00 2.96 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 67 E 8.51 4.64 0.00 1.68 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 2.22 2.17 0.00 68 P 0.00 4.94 0.00 2.51 2.19 0.00 3.86 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.07 0.00 69 H 7.32 5.01 0.00 3.37 3.49 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.69 3.96 0.00 1.79 1.84 0.00 1.84 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.76 7.81 71 G 8.95 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 0.00 0.00 0.00 72 G 8.25 3.78 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 0.00 0.00 0.00 73 L 9.54 4.69 0.00 1.68 1.73 0.88 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.25 4.50 1.62 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 0.28 0.48 0.00 0.00 75 R 9.23 4.79 0.00 1.71 1.63 0.00 3.05 0.00 0.00 3.08 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.62 0.00 76 Q 8.55 4.79 0.00 1.53 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 77 V 7.94 4.83 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 1.03 0.00 0.00 0.88 0.00 0.00 78 W 10.23 5.21 0.00 3.45 3.25 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 79 T 9.06 4.96 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 1.16 0.00 0.00 80 G 8.24 3.53 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 0.00 0.00 0.00 81 P 0.00 4.11 0.00 2.00 1.86 0.00 2.70 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.84 0.00 82 E 9.50 3.60 0.00 2.04 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 0.00 2.14 2.19 0.00 83 G 7.88 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 0.00 0.00 0.00 84 R 7.62 4.32 0.00 2.05 2.10 0.00 2.78 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.47 0.00 85 T 8.57 5.38 4.39 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 1.29 0.00 0.00 86 R 9.31 4.82 0.00 1.87 1.92 0.00 2.62 0.00 0.00 2.75 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 87 G 8.82 4.82 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 88 L 9.05 5.33 0.00 1.26 0.75 0.75 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.41 4.98 4.17 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 1.16 0.00 0.00 90 G 8.24 4.67 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 0.00 0.00 0.00 91 R 8.46 5.05 0.00 1.85 1.70 0.00 3.26 0.00 0.00 3.03 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 92 V 8.63 3.90 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 0.95 0.00 0.00 0.85 0.00 0.00 93 I 9.21 4.16 1.98 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 1.42 0.96 0.93 0.00 0.00 94 L 7.62 4.68 0.00 1.77 1.76 1.05 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.66 5.12 1.52 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 96 E 9.53 4.56 0.00 1.87 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 2.23 2.26 0.00 97 P 0.00 2.97 0.00 1.51 1.19 0.00 3.55 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 1.71 1.80 0.00 98 P 0.00 3.16 0.00 2.10 1.70 0.00 3.35 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 99 H 7.16 4.64 0.00 3.33 3.74 0.00 5.46 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.00 5.41 0.00 2.01 1.85 0.00 3.13 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 101 L 9.28 5.38 0.00 1.96 1.54 1.10 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.99 5.26 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.89 0.96 0.00 0.00 103 H 9.06 5.51 0.00 3.15 3.28 0.00 5.25 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.53 5.01 0.00 3.92 3.99 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 0.00 105 E 8.96 5.05 0.00 1.83 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 0.00 2.09 2.28 0.00 106 L 8.50 4.75 0.00 1.72 1.43 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.81 4.60 0.00 2.91 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.45 4.78 0.00 2.76 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 0.00 109 E 8.05 4.58 0.00 2.04 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 2.22 2.46 0.00 110 D 8.18 4.07 0.00 2.72 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 *114 G 7.41 3.74 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 0.00 0.00 0.00 115 E 8.62 4.40 0.00 2.00 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 2.27 2.42 0.00 116 T 8.86 4.59 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 0.98 0.00 0.00 117 L 8.32 4.91 0.00 1.73 1.50 0.90 0.86 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 0.00 118 V 8.77 4.70 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 0.92 0.00 0.00 0.94 0.00 0.00 119 T 8.90 5.13 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 1.27 0.00 0.00 120 L 9.31 5.06 0.00 1.63 1.64 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 121 Q 9.03 5.07 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.52 0.00 122 L 9.07 5.34 0.00 1.60 1.63 1.15 1.04 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 0.00 123 L 8.50 4.85 0.00 1.73 1.76 0.95 0.86 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 0.00 124 P 0.00 4.69 0.00 1.97 2.05 0.00 3.63 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 2.04 2.10 0.00 125 V 8.17 4.39 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 0.98 0.00 0.00 0.99 0.00 0.00 126 E 8.54 4.18 0.00 1.97 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 0.00 127 G 9.14 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 0.00 0.00 0.00 0.00 128 G 7.83 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 0.00 129 T 6.97 5.02 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 0.00 130 E 9.20 5.01 0.00 2.06 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 2.24 2.25 0.00 131 L 9.51 4.80 0.00 1.77 1.72 0.95 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 132 A 9.04 5.38 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 *134 A 8.18 4.61 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 0.00 135 V 8.91 4.66 2.27 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 0.49 0.00 0.00 1.07 0.00 0.00 136 D 9.01 5.36 0.00 2.60 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 0.00 137 Y 8.63 4.55 0.00 2.88 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 0.00 138 A 8.93 4.12 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 0.00 139 T 7.51 4.76 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 1.24 0.00 0.00 140 P 0.00 5.01 0.00 2.17 2.13 0.00 3.87 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 2.11 2.00 0.00 141 E 8.10 4.23 0.00 2.14 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 0.00 2.34 2.31 0.00 142 A 8.63 3.98 1.50 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 0.00 143 R 7.68 3.10 0.00 1.85 1.80 0.00 2.81 0.00 0.00 2.69 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.65 0.00 144 D 7.45 4.32 0.00 2.81 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 0.00 145 A 8.02 4.22 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 0.00 146 V 6.77 4.09 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 0.82 0.00 0.00 0.98 0.00 0.00 147 A 8.21 4.48 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 0.00 148 A 8.59 4.24 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 0.00 149 S 7.55 4.05 0.00 3.90 3.78 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 0.00 150 A 7.50 4.40 1.21 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 0.00 0.00 0.00 *152 A 7.74 4.11 1.60 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 0.00 153 T 7.16 4.22 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 1.17 0.00 0.00 154 E 7.52 4.34 0.00 2.06 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 2.10 2.10 0.00 *156 E 8.31 4.29 0.00 2.21 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 0.00 2.29 2.37 0.00 157 E 7.83 3.82 0.00 2.01 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 0.00 2.06 2.24 0.00 158 A 7.79 3.79 1.24 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 0.00 159 Y 7.67 4.55 0.00 3.16 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 0.00 160 R 8.16 3.90 0.00 2.04 1.99 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 161 H 7.53 4.30 0.00 3.56 3.51 0.00 5.74 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 L 8.08 4.06 0.00 1.41 2.00 0.01 -0.41 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 0.00 163 D 8.49 4.65 0.00 3.01 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 0.00 164 V 7.63 3.60 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.00 0.00 0.00 *166 L 7.87 4.17 0.00 1.95 1.74 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 167 A 8.09 3.96 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 0.00 168 A 8.26 4.11 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 7.53 4.34 0.00 1.85 1.66 0.94 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 170 E 7.88 4.12 0.00 2.13 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 2.21 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.