NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2776 8.2649 123.5824 52.0107 19.8877 175.9101 2 D 4.6252 8.6491 123.1744 52.3117 42.0748 174.2745 3 L 4.8182 8.2718 124.2201 52.9456 45.2160 175.5214 4 T 4.6673 8.2559 111.0476 59.9893 71.4505 172.7165 5 A 4.7591 8.1044 124.2093 51.0579 22.4281 175.2845 6 S 4.8280 8.1978 112.5580 57.0488 66.2177 173.2705 7 F 4.4470 8.3065 121.3745 57.3647 41.9143 174.0437 8 T 4.2894 7.4391 124.2828 62.3199 67.9245 175.1485 9 V 4.2090 8.2249 120.4025 61.1662 32.5261 176.0331 10 T 4.7657 8.1701 111.1786 60.1839 71.8615 172.8973 11 A 4.6676 8.2177 123.3768 51.2807 22.1384 175.6925 12 T 4.5903 8.3864 116.9186 61.6543 70.6228 174.0420 13 L 4.7653 8.4032 125.8749 52.9069 43.8858 176.1820 14 V 4.3522 8.1586 115.2573 59.4109 34.4752 174.8085 15 E 4.4008 8.5498 124.6646 53.8894 29.8489 173.9939 16 P 4.3614 0.0000 0.0000 62.2575 32.1654 175.9086 17 A 4.5141 8.3194 122.9240 51.0422 19.2722 176.5864 18 R 4.7219 8.3960 121.7964 55.0684 32.7497 175.5878 19 I 4.9588 8.4064 123.9681 59.7251 40.4951 174.7186 20 T 4.8020 8.7406 116.1376 60.0787 72.7114 172.7093 21 L 5.0431 8.2273 122.0508 54.5918 45.2103 173.9580 22 T 4.7302 9.2484 123.6421 61.9186 71.7270 172.3590 23 Y 5.3061 8.7137 127.1673 55.8660 41.2999 173.8456 24 K 4.2852 8.6883 129.0854 54.2180 34.1092 174.9285 25 E 3.8608 8.4967 126.9406 57.3409 29.9985 177.8286 26 G 4.1227 8.9274 111.3573 43.6125 0.0000 172.9511 27 A 4.1819 8.6196 122.6206 51.5265 18.7109 175.8104 28 P 4.4971 0.0000 0.0000 62.6521 32.2635 175.7386 29 I 4.2619 7.9692 120.0490 59.8281 38.7007 175.3938 30 T 4.4373 8.0490 114.5448 59.6258 69.9481 174.5341 31 I 3.9989 8.1867 127.6762 61.6423 37.6870 175.8496 32 M 4.2981 8.1691 125.0822 55.4553 32.5705 176.1615 *33 D 4.9655 8.3213 118.5100 53.6605 37.5713 181.2632 34 N 4.5889 8.0469 113.2830 52.9244 38.2570 175.7541 35 G 3.8742 8.2540 107.7332 45.8121 0.0000 172.8380 36 N 4.8991 7.4307 116.0377 51.8209 39.8941 174.4701 37 I 4.4306 7.5772 113.5897 58.8421 39.7847 175.1505 38 D 4.3826 8.1230 120.8887 54.4266 41.7411 175.7669 39 T 4.1849 8.0981 118.1029 62.1815 68.3308 173.7302 40 E 3.7988 8.4506 122.3173 57.1307 27.8963 174.6895 41 L 3.9528 7.6750 119.9817 54.7141 42.5551 176.6378 42 L 4.3200 8.6439 126.9332 55.2667 40.8703 177.0779 43 V 3.6272 8.9743 126.5727 65.3884 32.7964 175.3902 44 G 4.8446 7.5182 104.3565 46.7789 0.0000 172.1784 45 T 5.2447 8.5489 116.9489 61.6275 71.8339 173.3166 46 L 5.3289 9.2232 127.0479 53.6669 44.1116 175.5910 47 T 4.9546 9.0894 121.1413 61.7545 70.9856 173.0206 48 L 4.9345 8.9075 130.0534 54.2866 43.9298 175.8724 49 G 4.1590 8.9510 112.3955 45.4558 0.0000 171.9669 50 G 4.1898 8.2981 107.0315 46.6280 0.0000 174.1890 51 Y 4.3160 7.2270 115.8117 56.6279 38.6476 175.7950 52 K 4.2571 8.5272 121.8210 55.9623 33.1707 176.4493 53 T 4.3142 8.3361 122.2196 64.9320 68.8501 173.9575 54 G 4.1457 9.3095 114.0618 46.0919 0.0000 174.4944 55 T 3.7991 7.9991 117.0146 64.3219 69.0303 173.4879 56 T 4.9435 7.6624 116.0583 59.5124 71.1322 175.7505 57 S 4.2353 8.9228 117.4384 61.2961 62.9036 176.1339 58 T 4.1466 8.0262 109.8657 62.6396 69.1577 175.7540 59 S 4.3322 7.8143 116.7131 58.7319 63.8308 173.2023 60 V 4.7319 7.2760 122.3539 61.2386 34.0408 173.8118 61 N 5.3146 8.9481 126.0713 52.1010 42.2605 172.8250 62 F 5.0582 9.3695 126.6096 56.6673 40.4246 175.1763 63 T 5.2896 9.0748 114.8077 59.9062 71.0155 172.6693 64 D 5.2101 8.9974 121.4780 51.4281 43.0497 175.9522 65 A 4.0572 8.8832 121.5753 55.4285 18.4803 179.0594 66 A 3.9637 7.4148 115.1235 54.1008 18.4518 178.6985 67 G 3.7904 8.1247 101.0356 46.2363 0.0000 173.0207 68 D 4.4042 7.8944 119.6933 52.8990 41.0123 173.8264 69 P 4.4748 0.0000 0.0000 64.8325 31.6510 176.6535 70 M 3.2894 9.3026 122.8572 54.8099 31.1085 176.2700 71 Y 5.1061 7.2281 114.5914 56.0767 41.9418 174.9013 72 L 4.8150 8.7379 122.5103 53.6827 44.3137 175.5634 73 T 4.9412 8.8667 119.4425 61.8672 70.8955 173.4848 74 F 4.7964 8.9401 125.7881 56.0567 41.3614 175.0307 75 T 5.3418 8.6421 119.5147 61.3355 71.8780 173.8029 76 S 3.9139 8.3965 120.7217 58.1573 63.6200 173.4856 77 Q 4.4134 8.8299 124.2068 56.7400 28.8376 176.3024 78 D 4.5733 8.8824 117.2050 53.8755 40.3860 177.9881 79 G 4.8229 7.4683 119.8082 46.1073 0.0000 172.8236 80 N 4.4350 7.9435 115.6600 52.9680 39.1347 174.2248 81 N 4.1090 8.0293 115.4319 54.7477 37.4323 173.5052 82 H 4.7238 8.2836 114.4715 55.7143 30.3655 175.7295 83 Q 5.5808 8.8907 120.3771 54.3684 32.6361 174.4676 84 F 5.3002 9.1183 116.1536 55.7127 41.9610 173.4002 85 T 5.2285 8.6057 110.1001 60.5811 71.6339 173.2757 86 T 5.4935 9.4135 112.8591 59.9697 72.9706 172.3411 87 K 5.0283 9.2379 120.5725 55.0447 36.2091 175.1606 88 V 4.8057 8.2054 121.1697 61.2193 33.1635 174.5605 89 I 4.9685 8.8726 120.6989 59.9955 41.8802 174.2501 90 G 4.4371 9.6379 109.0515 45.6821 0.0000 171.4466 91 K 5.4210 8.6833 118.1082 54.7778 35.7807 176.9087 92 D 4.8318 8.5358 123.0642 52.2520 41.7338 176.8640 93 S 4.4067 8.6397 112.3185 60.4014 63.1774 174.5699 94 R 4.4818 8.1361 118.6385 55.5295 30.5715 175.3718 95 D 4.5141 8.1514 115.3568 54.9506 40.4927 173.7601 96 F 4.2181 8.8371 116.4821 57.1116 39.5159 173.8732 97 D 5.3434 8.6005 123.0663 53.6992 41.5664 176.0752 98 I 4.9542 8.9623 117.1377 59.0965 41.1010 174.5976 99 S 5.0854 8.5268 117.4658 56.0502 66.2106 171.8161 100 P 4.8525 0.0000 0.0000 61.1479 33.0619 175.5350 101 K 4.3141 8.6020 119.0929 56.5028 33.4206 176.8248 102 V 4.6104 8.3662 123.3503 61.5399 34.3030 175.4550 103 N 4.1682 10.5287 128.1467 54.3130 36.6442 175.3948 104 G 3.9994 9.1999 105.1083 45.2552 0.0000 173.8031 105 E 4.6762 7.4603 118.1320 54.1969 33.4648 174.5356 106 N 4.8053 8.5402 120.1068 53.1587 39.4854 175.1743 107 L 4.1215 8.4718 124.9197 57.1328 42.6643 177.1931 108 V 4.4000 7.4806 115.4148 60.8922 34.3564 175.7836 109 G 4.0476 8.9146 108.7840 46.0652 0.0000 173.4432 *110 D 4.5952 8.1919 117.3258 51.9066 40.6316 175.5431 111 D 4.4292 8.5895 118.3807 55.9376 41.5713 176.4191 112 V 4.6268 8.4108 118.2172 59.1150 36.2210 174.9839 113 V 4.1287 8.2901 122.8241 62.7306 31.8294 176.0153 114 L 4.3384 8.8478 128.2317 54.2731 42.3311 177.0814 115 A 4.1824 9.0703 124.5325 52.2849 18.9354 178.1623 116 T 3.8975 8.2910 117.8431 64.9346 68.2503 173.0187 117 G 3.7875 8.9548 117.9036 44.9380 0.0000 173.1795 118 S 5.0301 7.2233 113.5199 56.0831 67.3152 172.8941 119 Q 4.4082 9.0078 120.8780 54.5452 32.1825 173.3868 120 D 4.8908 8.4242 126.1814 53.5725 42.2294 175.7601 121 F 4.8923 8.8320 121.3507 55.5908 43.0072 173.8941 122 F 5.3217 9.2406 121.5775 55.8144 41.6026 174.9399 123 V 4.6088 8.8691 124.1628 62.3294 32.7355 174.8092 124 R 5.3422 9.0225 127.4196 53.9508 33.6525 175.4124 125 S 4.1604 8.7620 118.7898 59.5137 63.6542 173.2154 126 I 4.1537 8.8578 123.8298 61.1301 36.7326 179.4753 127 G 3.9355 7.5640 112.9993 46.6651 0.0000 174.6482 128 S 4.8195 8.6405 113.6628 56.4528 63.4942 174.6773 129 K 3.8035 8.6413 130.2921 59.5027 31.6527 177.0699 130 G 3.5989 7.3006 108.1988 44.5898 0.0000 174.0354 131 G 3.9535 6.1521 116.5667 43.3657 0.0000 172.8178 132 K 4.3610 7.3050 133.8530 54.1008 32.2677 175.3885 133 L 4.4330 8.4416 126.3089 54.0699 42.6626 176.9796 134 A 4.2460 8.0191 120.4919 51.5247 19.7134 177.7218 *136 G 3.8127 8.1458 106.7169 45.0254 0.0000 174.7531 137 K 4.0584 8.4087 120.2927 57.6792 33.0881 174.7158 138 Y 5.2061 9.0315 122.5730 56.3372 40.6568 175.2180 139 T 5.0006 9.7422 114.3320 60.1185 72.3081 172.3291 140 D 4.8710 8.6011 120.8540 52.4817 44.8497 174.5726 141 A 4.4695 8.4526 125.9783 50.4138 20.2137 175.5468 142 V 4.5540 8.1490 122.0553 62.1322 33.7520 174.9692 143 T 4.2965 8.7675 125.3264 62.5450 70.0772 173.9383 144 V 4.1110 8.2305 126.9095 61.6411 32.5243 174.6468 145 T 4.4594 8.5471 126.2228 61.9521 70.4720 174.1615 146 V 4.5212 8.2436 125.6321 61.3645 33.8824 175.4482 147 S 4.6047 9.1159 125.7003 56.8073 62.2776 173.4716 148 N 4.4537 8.4346 121.7490 52.7853 39.2023 175.6330 149 Q 4.1681 8.6457 120.0433 56.3968 28.7472 176.3459 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 A 8.26 4.28 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 D 8.65 4.63 0.00 2.76 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 3 L 8.27 4.82 0.00 1.60 1.55 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.26 4.67 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 1.22 0.00 0.00 5 A 8.10 4.76 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 6 S 8.20 4.83 0.00 3.93 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 7 F 8.31 4.45 0.00 2.97 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 8 T 7.44 4.29 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 1.17 0.00 0.00 9 V 8.22 4.21 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 0.98 0.00 0.00 10 T 8.17 4.77 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 11 A 8.22 4.67 1.22 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 12 T 8.39 4.59 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 1.22 0.00 0.00 13 L 8.40 4.77 0.00 1.61 1.56 0.92 0.90 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 14 V 8.16 4.35 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.93 0.00 0.00 15 E 8.55 4.40 0.00 1.90 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 2.22 2.37 0.00 16 P 0.00 4.36 0.00 2.08 1.97 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 17 A 8.32 4.51 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 18 R 8.40 4.72 0.00 1.75 1.83 0.00 3.05 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 19 I 8.41 4.96 1.88 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.89 0.94 0.00 0.00 20 T 8.74 4.80 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 1.21 0.00 0.00 21 L 8.23 5.04 0.00 1.67 1.59 1.17 0.92 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 22 T 9.25 4.73 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 1.25 0.00 0.00 23 Y 8.71 5.31 0.00 3.09 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 K 8.69 4.29 0.00 1.73 1.54 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.23 1.31 7.81 25 E 8.50 3.86 0.00 1.80 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 2.39 2.34 0.00 26 G 8.93 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.62 4.18 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 28 P 0.00 4.50 0.00 2.18 2.07 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 29 I 7.97 4.26 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.37 0.65 0.00 0.00 30 T 8.05 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 1.17 0.00 0.00 31 I 8.19 4.00 1.84 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 1.34 0.46 0.88 0.00 0.00 32 M 8.17 4.30 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 *33 D 8.32 4.97 0.00 2.76 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 34 N 8.05 4.59 0.00 2.78 2.94 0.00 0.00 6.18 7.00 0.00 0.00 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 G 8.25 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 36 N 7.43 4.90 0.00 2.96 2.67 0.00 0.00 6.67 7.21 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 37 I 7.58 4.43 1.56 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.35 0.52 0.00 0.00 38 D 8.12 4.38 0.00 2.58 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 39 T 8.10 4.18 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 40 E 8.45 3.80 0.00 2.14 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 0.00 2.24 2.39 0.00 41 L 7.68 3.95 0.00 1.55 1.55 0.81 0.47 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 42 L 8.64 4.32 0.00 1.75 1.58 1.16 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.97 3.63 2.29 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 0.91 0.00 0.00 1.02 0.00 0.00 44 G 7.52 4.84 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 45 T 8.55 5.24 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 46 L 9.22 5.33 0.00 1.79 1.86 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 47 T 9.09 4.95 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 48 L 8.91 4.93 0.00 2.07 1.78 1.08 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.95 4.16 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 0.00 0.00 0.00 0.00 50 G 8.30 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 51 Y 7.23 4.32 0.00 3.04 3.02 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 52 K 8.53 4.26 0.00 1.87 1.77 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.48 7.81 53 T 8.34 4.31 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 54 G 9.31 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.00 3.80 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 0.94 0.00 0.00 56 T 7.66 4.94 4.49 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 0.00 0.00 0.00 1.27 0.00 0.00 57 S 8.92 4.24 0.00 4.21 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 58 T 8.03 4.15 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 1.27 0.00 0.00 59 S 7.81 4.33 0.00 4.18 4.10 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 60 V 7.28 4.73 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 0.81 0.00 0.00 0.94 0.00 0.00 61 N 8.95 5.31 0.00 2.76 2.52 0.00 0.00 6.78 8.55 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 62 F 9.37 5.06 0.00 2.91 2.91 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 63 T 9.07 5.29 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 1.18 0.00 0.00 64 D 9.00 5.21 0.00 2.79 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 65 A 8.88 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 7.41 3.96 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 67 G 8.12 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 D 7.89 4.40 0.00 2.82 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 69 P 0.00 4.47 0.00 2.06 1.97 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 70 M 9.30 3.29 0.00 1.38 1.63 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.51 0.00 71 Y 7.23 5.11 0.00 2.87 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.74 4.82 0.00 1.66 1.43 0.87 0.62 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 73 T 8.87 4.94 4.16 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 1.19 0.00 0.00 74 F 8.94 4.80 0.00 1.68 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 75 T 8.64 5.34 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 1.23 0.00 0.00 76 S 8.40 3.91 0.00 3.56 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 77 Q 8.83 4.41 0.00 2.02 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 78 D 8.88 4.57 0.00 2.80 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 79 G 7.47 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 80 N 7.94 4.43 0.00 2.96 2.86 0.00 0.00 6.96 9.15 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 81 N 8.03 4.11 0.00 2.77 2.80 0.00 0.00 7.08 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 82 H 8.28 4.72 0.00 3.26 3.46 0.00 5.61 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 83 Q 8.89 5.58 0.00 1.97 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.55 0.00 84 F 9.12 5.30 0.00 3.36 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 85 T 8.61 5.23 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 1.18 0.00 0.00 86 T 9.41 5.49 4.47 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 1.42 0.00 0.00 87 K 9.24 5.03 0.00 1.84 2.12 0.00 1.33 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.42 7.81 88 V 8.21 4.81 1.61 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 0.09 0.00 0.00 0.54 0.00 0.00 89 I 8.87 4.97 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.99 0.96 0.00 0.00 90 G 9.64 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.68 5.42 0.00 1.72 1.78 0.00 1.88 0.00 0.00 1.95 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.42 7.81 92 D 8.54 4.83 0.00 2.88 2.91 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 93 S 8.64 4.41 0.00 4.02 4.05 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 94 R 8.14 4.48 0.00 2.04 2.12 0.00 3.18 0.00 0.00 3.02 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 95 D 8.15 4.51 0.00 2.87 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 96 F 8.84 4.22 0.00 3.53 3.02 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 97 D 8.60 5.34 0.00 2.61 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 98 I 8.96 4.95 1.99 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 1.01 0.00 0.00 99 S 8.53 5.09 0.00 3.85 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 0.00 100 P 0.00 4.85 0.00 2.07 1.61 0.00 3.21 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.78 0.00 101 K 8.60 4.31 0.00 1.87 1.80 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.36 7.81 102 V 8.37 4.61 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 0.85 0.00 0.00 0.76 0.00 0.00 103 N 10.53 4.17 0.00 2.87 2.80 0.00 0.00 7.27 5.17 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 0.00 104 G 9.20 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 0.00 0.00 0.00 105 E 7.46 4.68 0.00 1.85 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 2.24 2.21 0.00 106 N 8.54 4.81 0.00 2.68 2.72 0.00 0.00 6.94 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 0.00 107 L 8.47 4.12 0.00 1.41 1.62 0.88 0.95 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 0.00 108 V 7.48 4.40 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 0.79 0.00 0.00 0.97 0.00 0.00 109 G 8.91 4.05 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 0.00 *110 D 8.19 4.60 0.00 2.71 2.46 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 0.00 111 D 8.59 4.43 0.00 2.60 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 0.00 112 V 8.41 4.63 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 0.66 0.00 0.00 0.98 0.00 0.00 113 V 8.29 4.13 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 0.79 0.00 0.00 0.93 0.00 0.00 114 L 8.85 4.34 0.00 1.36 1.48 0.50 0.94 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 0.00 115 A 9.07 4.18 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 0.00 116 T 8.29 3.90 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 1.21 0.00 0.00 117 G 8.95 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 7.22 5.03 0.00 3.86 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 0.00 119 Q 9.01 4.41 0.00 2.20 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 1.87 1.22 0.00 120 D 8.42 4.89 0.00 2.30 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 0.00 0.00 0.00 121 F 8.83 4.89 0.00 2.88 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 0.00 122 F 9.24 5.32 0.00 3.09 3.02 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 0.00 123 V 8.87 4.61 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 1.10 0.00 0.00 1.06 0.00 0.00 124 R 9.02 5.34 0.00 1.80 1.82 0.00 3.57 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 125 S 8.76 4.16 0.00 3.87 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 0.00 126 I 8.86 4.15 2.01 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 1.29 0.97 0.75 0.00 0.00 127 G 7.56 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 0.00 128 S 8.64 4.82 0.00 4.28 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 0.00 129 K 8.64 3.80 0.00 1.70 1.93 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.46 7.81 130 G 7.30 3.60 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 0.00 131 G 6.15 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 0.00 132 K 7.31 4.36 0.00 1.80 1.81 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.95 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.46 7.81 133 L 8.44 4.43 0.00 1.60 1.67 0.61 0.88 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 0.00 134 A 8.02 4.25 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 *136 G 8.15 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 0.00 137 K 8.41 4.06 0.00 1.72 1.86 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.66 7.81 138 Y 9.03 5.21 0.00 3.00 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 0.00 139 T 9.74 5.00 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 140 D 8.60 4.87 0.00 1.58 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 0.00 0.00 0.00 141 A 8.45 4.47 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 0.00 142 V 8.15 4.55 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 1.01 0.00 0.00 0.81 0.00 0.00 143 T 8.77 4.30 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 1.14 0.00 0.00 144 V 8.23 4.11 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 -0.09 0.00 0.00 0.67 0.00 0.00 145 T 8.55 4.46 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 0.00 146 V 8.24 4.52 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 0.80 0.00 0.00 0.87 0.00 0.00 147 S 9.12 4.60 0.00 3.80 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 8.43 4.45 0.00 2.71 2.77 0.00 0.00 7.20 7.69 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 0.00 149 Q 8.65 4.17 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.