NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3097 8.0333 110.9355 61.3039 70.1556 172.8860 3 I 4.3196 7.7553 122.1532 59.7097 38.0748 174.1715 *5 L 4.2418 7.9362 121.8955 54.9973 43.7638 176.2746 6 T 4.7503 8.2708 111.6537 59.1584 71.9501 171.6606 7 P 4.9962 0.0000 0.0000 62.4201 32.4062 175.5209 *9 Q 4.1415 8.6527 116.1136 55.6625 30.2729 175.8764 10 T 4.0954 8.3686 113.9178 65.3312 67.0765 176.4778 11 E 3.9841 8.1151 120.1953 59.4361 29.7556 178.5849 12 E 4.0269 8.2403 118.8439 59.0542 29.3480 178.4806 13 F 4.3381 8.8176 121.2403 61.3681 39.5576 177.0020 14 R 3.7294 7.8862 117.3631 59.7146 29.9499 179.3115 15 S 4.1355 7.8247 114.5816 61.4833 62.7335 176.3027 16 Y 3.8839 8.0175 122.3980 60.3380 38.5553 177.1570 17 L 3.0312 8.3150 122.0489 58.2022 42.0289 179.0098 18 T 3.6235 7.3278 115.3127 66.8980 68.4161 176.0315 19 Y 3.8810 7.7367 121.2535 60.7115 38.6579 177.7547 20 T 3.6795 7.8696 114.3759 64.9073 67.2763 176.7049 21 T 3.6938 7.5752 118.2945 66.1372 68.3864 176.7160 22 K 3.9607 7.8885 121.7876 59.5239 32.1731 178.4784 23 H 3.8971 7.8745 118.6214 59.3299 29.7149 176.6286 24 Y 4.0216 8.4988 121.4544 60.5942 38.5521 177.9097 25 A 4.3238 8.1682 121.4358 55.2872 18.4670 179.4005 26 E 3.8304 8.0648 117.0542 59.5002 29.4932 179.4986 27 E 3.4536 7.8268 118.4429 59.1829 29.3398 179.4791 28 K 3.7397 7.5185 118.4968 59.4394 31.9550 179.6110 29 V 3.9761 8.0438 120.1150 65.2032 31.2274 177.9986 30 K 3.7940 7.9591 118.5897 59.4838 32.1970 178.4865 31 A 4.1887 8.1173 119.4439 53.3635 18.3687 178.4798 32 G 3.9853 7.8924 105.3132 45.5552 0.0000 174.9470 33 T 4.0566 7.8445 115.8588 65.4451 68.6873 174.4498 34 W 5.1836 8.1688 119.9302 54.6752 32.1790 174.6496 35 L 4.5272 8.2832 120.4309 53.1771 41.1243 175.9740 36 P 4.2441 0.0000 0.0000 65.9937 31.2846 177.8782 37 E 3.8985 8.1567 111.0805 57.0614 29.8244 176.5593 38 D 4.5650 8.2118 119.5875 55.8941 43.6740 178.3427 39 A 4.1128 7.4884 119.4770 55.2490 18.4955 179.2408 40 Q 3.9934 8.2149 115.7748 59.1831 28.6530 178.9172 41 L 3.8974 7.7748 120.2071 58.3395 42.2788 178.9666 42 L 3.6832 8.0385 119.1317 57.5894 41.4562 179.3455 43 S 4.6436 8.3278 113.3053 61.5991 62.3112 176.2837 44 K 4.0626 7.9519 120.5618 59.9179 31.7357 179.2709 45 Q 4.2332 7.7628 119.1855 58.3884 28.6627 179.2844 46 V 3.5113 7.6414 118.9082 65.7734 31.5391 177.9499 47 F 4.4628 8.1041 117.2282 60.0179 38.8306 178.1522 48 T 3.9815 8.3941 110.1908 64.9772 68.3620 176.5016 49 D 4.3782 7.7452 120.8123 56.7965 40.8473 178.5176 50 L 4.0826 7.4269 117.6434 56.6148 43.3100 177.9432 51 L 4.6584 7.7410 118.1980 52.3767 41.1071 175.5223 52 P 4.4326 0.0000 0.0000 64.9197 32.2022 177.6737 53 R 4.6583 7.7929 117.3895 56.7775 31.9107 178.1956 54 G 4.1126 7.6594 113.5785 46.7114 0.0000 178.2520 55 L 3.4501 7.7971 124.2424 56.4054 41.4149 177.0593 56 E 4.1953 7.9857 117.2800 56.2564 29.6897 176.2949 57 T 3.8793 7.4155 118.1072 62.6237 68.2523 172.0809 58 P 4.2143 0.0000 0.0000 64.7576 31.5365 176.5560 59 H 4.2682 8.7502 115.3012 56.5565 26.9164 173.6059 60 H 5.5466 7.9196 116.8144 54.5455 30.6319 174.2947 61 H 4.3774 9.5432 119.6703 53.9116 31.6987 172.7071 62 L 4.8197 8.1112 124.1961 52.9710 42.9152 176.0500 63 W 5.2532 9.1203 124.4088 55.0652 32.7021 175.1363 64 S 5.3632 8.9820 118.1362 57.0238 64.9093 173.6726 65 L 4.6627 8.4543 124.7599 54.2763 43.2195 176.0571 66 K 4.5374 7.9437 118.0139 57.0917 34.8841 174.7922 67 L 4.0276 9.0175 126.1842 55.2359 42.7849 176.4615 68 N 4.8208 7.4813 113.9652 51.1231 40.3328 175.5298 69 E 4.6182 8.2814 118.6113 55.4638 27.6658 176.7836 70 K 4.5005 7.4133 115.8124 56.5287 38.4406 174.6403 71 D 4.5684 7.8165 118.9352 51.9857 41.1708 174.8680 72 I 4.0778 8.0111 117.9941 60.6364 37.2597 176.3106 73 V 3.8197 8.1839 119.1851 61.4730 33.2302 175.9385 74 G 3.5748 7.5526 107.2322 45.8951 0.0000 171.9530 75 W 5.6628 7.8027 116.5231 55.6293 32.1671 173.9945 76 L 5.4398 9.3723 123.4214 53.8484 45.3395 174.3945 77 W 5.4625 10.0671 135.0000 55.9852 33.1719 174.1557 78 I 5.2200 9.0948 127.8904 59.7695 40.9551 174.3330 79 H 5.3881 9.7293 125.0006 54.8362 32.2122 172.4767 80 A 4.7678 8.7186 129.6939 49.6611 18.0403 175.7557 81 E 3.6715 8.4416 119.4058 56.1336 30.2932 175.8626 82 P 4.0774 0.0000 0.0000 63.4855 31.6237 175.8082 83 E 3.6230 8.5268 124.3977 57.0828 26.0609 172.6573 84 H 4.6227 7.7643 119.3664 53.7746 31.2487 173.9117 85 P 3.6662 0.0000 0.0000 65.4687 30.9102 176.6364 86 Q 4.5435 7.7717 114.3980 54.6446 29.9335 174.8539 87 Q 3.4939 9.1038 117.7897 56.8111 26.9874 173.1705 88 E 5.0711 8.1304 113.2165 55.4277 31.9467 175.1516 89 A 4.8958 8.9114 122.7316 50.1884 22.3298 174.7862 90 F 4.6925 9.0633 125.1550 56.9677 41.3830 175.0178 91 I 4.5072 7.7574 128.1354 60.1666 36.1093 175.1224 92 Y 4.2654 8.3047 126.2403 60.7628 38.2729 176.1156 93 D 5.1038 7.9350 116.2530 53.6204 45.0260 173.8841 94 F 5.5237 8.3867 122.5740 56.8059 42.4799 173.5626 95 G 3.2156 5.4966 110.3589 46.0496 0.0000 170.5409 96 L 4.5543 6.8862 118.1966 52.5789 45.7671 176.6573 97 Y 4.4999 8.8792 118.5040 57.4867 38.8503 176.8919 98 E 4.0109 9.3426 121.8764 59.4932 29.4498 177.2966 99 P 4.3413 0.0000 0.0000 63.7611 31.1636 176.4780 100 Y 4.9811 7.9711 117.2985 56.5103 38.9663 174.2132 101 R 4.6125 7.6710 121.7523 55.1946 35.0919 177.2299 102 G 3.9356 8.7271 106.5729 46.7841 0.0000 175.7061 103 K 3.8242 7.6583 116.4763 56.7559 31.8615 177.3149 104 G 3.8428 7.7955 107.1307 47.1289 0.0000 175.9226 105 Y 4.4873 7.5774 119.9274 60.3512 37.8647 177.4769 106 A 4.2470 8.0693 121.5511 55.0888 18.6978 179.2799 107 K 3.9083 8.1125 117.5525 60.0379 32.4010 178.9277 108 Q 4.0976 7.8823 116.7989 58.4722 28.5212 178.7230 109 A 4.0453 8.4854 122.7078 55.2483 18.5473 179.6385 110 L 3.8091 8.5099 117.7263 57.7601 41.5188 179.7381 111 A 4.1008 7.9905 120.2655 55.1494 18.2918 179.6022 112 A 3.8452 7.7916 118.7933 54.8618 18.2785 179.7301 113 L 3.7695 7.8856 119.2239 58.3587 42.2019 178.8321 114 D 4.2477 8.3381 119.3273 57.3259 40.7531 178.6634 115 Q 3.8629 8.3027 119.9943 59.0498 28.8826 178.1100 116 A 3.8206 7.9784 120.5957 55.0890 18.7155 178.9673 117 A 4.1114 8.4977 119.8147 55.5208 18.1976 179.8862 118 R 3.9251 7.8041 116.0043 59.3139 30.2112 179.0784 119 S 4.4400 7.6743 114.0289 58.5778 63.1793 175.4479 *121 G 3.8178 8.0766 110.4063 44.8314 0.0000 173.5418 122 I 3.8229 7.6932 120.8351 62.4747 36.7641 175.5338 123 R 4.5280 8.3735 124.1499 55.2994 30.8629 176.4918 124 K 4.2345 7.3784 117.1376 55.6657 35.4414 173.4714 125 L 5.3096 8.6693 126.8642 53.1432 44.2173 175.5893 126 S 4.9255 8.8331 116.7766 56.8820 66.3936 172.2563 127 L 3.3256 7.7489 122.2187 55.0782 42.7724 173.1767 128 H 4.7972 8.2420 119.0775 54.0466 32.0889 173.4476 129 V 4.4609 7.5423 124.5147 59.4375 34.1666 175.4595 130 F 3.8820 8.8782 122.3418 57.0919 39.6034 175.9956 131 A 4.0051 8.7430 126.9719 55.7136 18.2178 179.1669 132 H 4.3709 8.0492 109.0555 58.0854 29.4572 176.5625 133 N 4.7716 7.7410 120.1220 52.7145 34.6530 175.5970 134 Q 4.0706 7.8479 122.4961 59.0549 29.4699 178.2715 135 T 3.7913 7.9312 116.2596 66.7004 68.5057 176.0960 136 A 3.6228 7.8725 121.7892 55.1490 18.4710 179.5911 137 R 3.9911 7.9890 116.4406 59.5654 30.2561 179.4926 138 K 4.0094 8.1837 118.2117 59.1033 32.0646 179.1033 139 L 3.8425 7.6229 120.5537 58.4885 41.9755 178.4658 140 Y 4.8800 7.3322 117.9616 60.7276 37.8083 178.8008 141 E 4.3782 8.2461 120.5686 59.1903 29.3916 179.5382 142 Q 4.1451 7.9945 116.8932 58.5072 28.9132 177.8227 143 T 4.4103 7.7795 109.0015 61.6364 68.9671 176.0705 144 G 4.0075 7.9206 110.0292 45.2850 0.0000 174.3503 145 F 4.2589 8.5594 119.4525 57.3315 39.5912 174.2195 146 Q 4.7451 8.3528 123.2022 54.1189 32.0966 174.7092 147 E 4.3149 8.7249 123.6344 56.5327 30.3357 176.7961 148 T 4.5241 8.4391 110.1855 62.1853 71.0869 173.8576 149 D 4.9108 7.7999 118.6404 52.3436 44.8960 174.7069 150 V 4.3802 8.0604 119.8311 61.3268 34.6270 174.4152 151 V 4.2473 8.0312 125.1148 60.8204 34.1137 174.4552 *153 S 4.2851 8.1120 116.1719 58.0646 63.7656 173.2512 154 K 4.4373 8.1751 121.3920 54.8205 34.7160 175.1935 155 K 4.3786 8.6021 127.6779 55.4275 33.1015 176.2127 156 L 4.4292 8.5222 126.0985 56.7482 43.8985 177.3972 157 L 4.8300 7.8993 113.3790 54.5789 43.5717 175.8180 158 E 4.4784 9.3145 126.3815 57.8932 30.3784 175.4788 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 2 T 8.03 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 1.21 0.00 0.00 3 I 7.76 4.32 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.26 0.87 0.00 0.00 *5 L 7.94 4.24 0.00 0.88 0.71 0.88 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.27 4.75 4.29 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 1.21 0.00 0.00 7 P 0.00 5.00 0.00 2.14 2.14 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 2.07 2.11 0.00 *9 Q 8.65 4.14 0.00 2.18 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.74 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 10 T 8.37 4.10 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 11 E 8.12 3.98 0.00 2.13 2.00 0.00 0.00 0.00 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 2.44 0.00 12 E 8.24 4.03 0.00 2.08 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 2.45 2.42 0.00 13 F 8.82 4.34 0.00 3.14 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 14 R 7.89 3.73 0.00 2.05 1.92 0.00 3.18 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.01 0.00 15 S 7.82 4.14 0.00 3.86 3.94 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 16 Y 8.02 3.88 0.00 3.07 3.13 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 0.00 0.00 0.00 0.00 17 L 8.32 3.03 0.00 0.48 1.00 0.54 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.33 3.62 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 1.15 0.00 0.00 19 Y 7.74 3.88 0.00 3.02 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 20 T 7.87 3.68 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.00 0.00 21 T 7.58 3.69 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 1.32 0.00 0.00 22 K 7.89 3.96 0.00 1.85 1.58 0.00 1.59 0.00 0.00 1.52 0.00 0.00 2.72 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.36 1.39 7.81 23 H 7.87 3.90 0.00 2.91 3.29 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 Y 8.50 4.02 0.00 3.63 3.29 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 25 A 8.17 4.32 1.57 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 26 E 8.06 3.83 0.00 1.99 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 2.26 2.46 0.00 27 E 7.83 3.45 0.00 1.16 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 2.01 1.88 0.00 28 K 7.52 3.74 0.00 1.69 1.30 0.00 0.61 0.00 0.00 1.15 0.00 0.00 2.18 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.51 0.21 7.81 29 V 8.04 3.98 2.20 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 1.25 0.00 0.00 1.06 0.00 0.00 30 K 7.96 3.79 0.00 1.69 1.67 0.00 1.71 0.00 0.00 1.55 0.00 0.00 2.73 0.00 0.00 2.42 0.00 0.00 0.00 0.00 1.18 1.33 7.81 31 A 8.12 4.19 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 32 G 7.89 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 0.00 0.00 0.00 33 T 7.84 4.06 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 1.16 0.00 0.00 34 W 8.17 5.18 0.00 3.35 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 35 L 8.28 4.53 0.00 1.72 1.75 0.93 1.04 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 36 P 0.00 4.24 0.00 2.18 2.15 0.00 3.62 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 37 E 8.16 3.90 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 38 D 8.21 4.56 0.00 2.74 2.42 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 39 A 7.49 4.11 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.21 3.99 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 41 L 7.77 3.90 0.00 1.69 1.66 0.89 0.54 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 42 L 8.04 3.68 0.00 0.37 0.30 -0.05 0.32 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 43 S 8.33 4.64 0.00 4.56 4.31 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 44 K 7.95 4.06 0.00 1.95 1.88 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.64 7.81 45 Q 7.76 4.23 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 46 V 7.64 3.51 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 0.42 0.00 0.00 1.29 0.00 0.00 47 F 8.10 4.46 0.00 3.18 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.39 3.98 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 49 D 7.75 4.38 0.00 2.58 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 50 L 7.43 4.08 0.00 1.94 1.76 0.16 0.48 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 51 L 7.74 4.66 0.00 1.92 1.58 0.73 0.29 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 52 P 0.00 4.43 0.00 2.03 2.13 0.00 3.57 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.30 0.00 53 R 7.79 4.66 0.00 1.87 1.81 0.00 3.23 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 54 G 7.66 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 55 L 7.80 3.45 0.00 1.27 1.38 0.71 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.99 4.20 0.00 1.94 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 2.18 2.34 0.00 57 T 7.42 3.88 4.13 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 0.00 0.00 0.00 1.27 0.00 0.00 58 P 0.00 4.21 0.00 1.92 1.98 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 59 H 8.75 4.27 0.00 3.52 3.70 0.00 5.60 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 H 7.92 5.55 0.00 3.34 3.27 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 H 9.54 4.38 0.00 2.00 1.78 0.00 5.77 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.11 4.82 0.00 1.17 1.41 0.40 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 63 W 9.12 5.25 0.00 3.44 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 64 S 8.98 5.36 0.00 3.85 3.86 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 65 L 8.45 4.66 0.00 1.65 1.52 0.99 0.81 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 66 K 7.94 4.54 0.00 1.87 1.78 0.00 1.65 0.00 0.00 1.81 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.16 7.81 67 L 9.02 4.03 0.00 1.34 1.44 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 68 N 7.48 4.82 0.00 2.90 2.88 0.00 0.00 6.00 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.28 4.62 0.00 1.94 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 2.30 2.34 0.00 70 K 7.41 4.50 0.00 1.64 1.84 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.31 1.39 7.81 71 D 7.82 4.57 0.00 2.53 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 0.00 0.00 0.00 0.00 72 I 8.01 4.08 1.96 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 1.43 0.38 0.96 0.00 0.00 73 V 8.18 3.82 1.81 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 -0.49 0.00 0.00 0.51 0.00 0.00 74 G 7.55 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 75 W 7.80 5.66 0.00 3.09 3.11 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 76 L 9.37 5.44 0.00 2.12 2.16 1.16 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 77 W 10.07 5.46 0.00 3.64 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 I 9.09 5.22 1.99 0.00 0.00 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 1.23 0.75 1.03 0.00 0.00 79 H 9.73 5.39 0.00 3.54 3.35 0.00 5.76 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 80 A 8.72 4.77 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 81 E 8.44 3.67 0.00 1.96 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 2.29 2.28 0.00 82 P 0.00 4.08 0.00 2.11 1.65 0.00 3.89 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 83 E 8.53 3.62 0.00 2.13 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 0.00 2.21 2.22 0.00 84 H 7.76 4.62 0.00 3.21 3.19 0.00 5.91 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 3.67 0.00 2.13 2.15 0.00 3.34 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.90 0.00 86 Q 7.77 4.54 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 87 Q 9.10 3.49 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 88 E 8.13 5.07 0.00 2.07 1.90 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 1.75 2.17 0.00 89 A 8.91 4.90 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 90 F 9.06 4.69 0.00 2.91 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 91 I 7.76 4.51 1.43 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 1.18 0.62 0.95 0.00 0.00 92 Y 8.30 4.27 0.00 1.43 1.59 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 93 D 7.93 5.10 0.00 3.24 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 94 F 8.39 5.52 0.00 3.12 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 G 5.50 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 0.00 0.00 0.00 96 L 6.89 4.55 0.00 1.38 1.69 1.05 0.58 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 97 Y 8.88 4.50 0.00 3.43 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 98 E 9.34 4.01 0.00 2.01 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 99 P 0.00 4.34 0.00 1.40 1.88 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.72 0.00 100 Y 7.97 4.98 0.00 3.04 3.08 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 0.00 101 R 7.67 4.61 0.00 1.81 1.74 0.00 3.26 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 102 G 8.73 3.94 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 0.00 0.00 0.00 103 K 7.66 3.82 0.00 0.79 0.92 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.45 7.81 104 G 7.80 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 0.00 0.00 0.00 105 Y 7.58 4.49 0.00 2.99 2.85 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 0.00 106 A 8.07 4.25 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 0.00 107 K 8.11 3.91 0.00 1.91 1.86 0.00 1.65 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.63 7.81 108 Q 7.88 4.10 0.00 2.51 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.60 0.00 0.00 0.00 0.00 0.00 2.42 2.60 0.00 109 A 8.49 4.05 1.70 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 0.00 0.00 110 L 8.51 3.81 0.00 1.85 1.76 1.09 0.75 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 0.00 111 A 7.99 4.10 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 0.00 112 A 7.79 3.85 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 0.00 113 L 7.89 3.77 0.00 1.81 1.84 0.84 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.34 4.25 0.00 2.87 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 0.00 115 Q 8.30 3.86 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 116 A 7.98 3.82 1.05 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 0.00 0.00 117 A 8.50 4.11 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 0.00 118 R 7.80 3.93 0.00 1.88 2.17 0.00 3.30 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 1.62 1.69 0.00 119 S 7.67 4.44 0.00 4.05 3.86 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 *121 G 8.08 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 0.00 122 I 7.69 3.82 1.97 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 1.34 0.47 0.95 0.00 0.00 123 R 8.37 4.53 0.00 1.69 1.93 0.00 3.20 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 124 K 7.38 4.23 0.00 1.76 1.58 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.35 7.81 125 L 8.67 5.31 0.00 1.48 1.67 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.83 4.93 0.00 4.04 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.75 3.33 0.00 0.93 0.86 0.14 -1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 128 H 8.24 4.80 0.00 3.20 3.29 0.00 5.67 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.54 4.46 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 0.78 0.00 0.00 1.08 0.00 0.00 130 F 8.88 3.88 0.00 3.14 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 A 8.74 4.01 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 0.00 132 H 8.05 4.37 0.00 3.28 3.47 0.00 5.53 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 N 7.74 4.77 0.00 3.07 2.89 0.00 0.00 6.84 8.34 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 0.00 134 Q 7.85 4.07 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.97 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.41 0.00 135 T 7.93 3.79 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 1.17 0.00 0.00 136 A 7.87 3.62 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 0.00 137 R 7.99 3.99 0.00 2.05 2.04 0.00 3.15 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.94 0.00 138 K 8.18 4.01 0.00 1.83 1.84 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.75 1.58 7.81 139 L 7.62 3.84 0.00 1.66 1.28 0.96 0.90 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 0.00 140 Y 7.33 4.88 0.00 3.04 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 0.00 141 E 8.25 4.38 0.00 2.24 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 2.41 2.57 0.00 142 Q 7.99 4.15 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.06 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 143 T 7.78 4.41 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 1.34 0.00 0.00 144 G 7.92 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 0.00 145 F 8.56 4.26 0.00 3.31 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 0.00 146 Q 8.35 4.75 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.97 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 147 E 8.72 4.31 0.00 2.01 1.87 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 2.33 2.33 0.00 148 T 8.44 4.52 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 1.23 0.00 0.00 149 D 7.80 4.91 0.00 2.61 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 0.00 150 V 8.06 4.38 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 0.76 0.00 0.00 0.92 0.00 0.00 151 V 8.03 4.25 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 0.89 0.00 0.00 0.90 0.00 0.00 *153 S 8.11 4.29 0.00 4.06 3.91 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 0.00 0.00 0.00 0.00 154 K 8.18 4.44 0.00 1.68 1.68 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.42 7.81 155 K 8.60 4.38 0.00 1.76 1.70 0.00 1.83 0.00 0.00 1.91 0.00 0.00 2.80 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.46 7.81 156 L 8.52 4.43 0.00 1.68 1.71 0.93 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 0.00 157 L 7.90 4.83 0.00 1.55 1.20 0.93 0.85 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 0.00 158 E 9.31 4.48 0.00 1.89 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.