NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.1039 8.0393 120.3964 62.9893 31.6410 174.8353 3 T 3.7996 8.4723 118.9324 61.9252 69.2227 174.4419 4 G 3.7603 9.0010 108.0828 46.2303 0.0000 175.4344 5 G 3.9734 7.7246 106.6416 45.8486 0.0000 173.8917 *7 A 4.1053 7.2524 119.5308 51.8748 20.5329 176.8986 8 S 4.4265 8.9789 115.6284 57.3056 63.1759 175.7063 9 K 3.8057 8.2581 124.4356 58.8900 32.4237 177.5465 10 W 4.8976 7.7749 118.5157 56.8762 29.6572 177.7375 11 D 4.7762 8.1170 121.0340 56.9664 40.2513 178.0359 12 Q 4.0884 7.9876 118.8623 58.8424 29.4487 177.4943 13 K 4.2017 8.1145 120.4324 59.3395 32.2201 179.4980 14 G 2.1835 7.5602 103.1362 45.0166 0.0000 174.8637 *16 D 4.6705 8.0783 122.7661 54.1564 43.0986 178.2089 17 I 3.6928 7.8193 119.5835 64.1747 37.0300 178.2080 18 A 4.0219 8.1634 121.7466 55.4524 18.1491 179.0679 19 Y 4.0608 8.0243 117.4254 60.8565 38.8940 177.7645 20 E 3.7150 8.3984 119.6193 59.5223 29.0904 179.2876 21 E 3.8865 8.4426 118.4870 59.2255 29.4697 179.2820 22 A 3.9433 8.0287 120.6239 55.0556 18.4562 179.5685 23 A 3.7647 7.7488 119.5716 55.0004 18.3564 179.6449 24 L 3.9251 8.0198 119.1478 58.2072 42.0900 179.3938 25 G 3.5271 8.0571 105.9798 47.8517 0.0000 174.9385 26 Y 4.2465 8.1269 121.8944 60.6169 38.6349 178.5092 27 K 3.9666 7.9690 117.9274 59.0327 32.2048 178.3622 28 E 4.2858 7.8094 116.6786 56.5934 29.5795 177.4785 29 G 3.7426 7.9904 107.7556 45.2825 0.0000 173.4561 30 G 4.2376 7.6967 109.3015 43.0650 0.0000 173.4360 31 V 2.4556 8.2123 119.3977 61.7749 32.2111 175.6890 32 P 4.7045 0.0000 0.0000 62.0758 29.9430 175.3350 33 I 4.5350 7.4094 121.0775 60.1560 41.1718 176.1165 34 G 4.5113 8.8890 113.3845 44.8352 0.0000 170.8971 35 G 4.6370 8.9785 106.5247 46.4126 0.0000 171.7038 36 C 5.2866 8.7559 112.7773 57.2677 33.4261 172.6777 37 L 5.3271 8.8753 122.3355 53.4778 44.4479 175.0412 38 I 4.9138 8.7283 126.7892 59.3141 40.6565 174.3712 39 N 4.7160 8.8945 125.8941 53.2925 38.9972 175.5195 40 N 4.4950 9.1735 125.4101 56.2969 38.7142 177.1743 41 K 4.2273 8.4222 118.4846 58.8622 32.1483 177.3769 42 D 4.7297 7.5772 112.9928 52.0906 40.5529 176.2340 43 G 2.0000 7.6426 108.0325 44.6343 0.0000 174.1043 44 S 4.0170 7.7143 116.9447 58.2877 64.0519 173.8157 45 V 4.1727 8.1241 124.6041 62.2351 30.8071 175.6998 46 L 4.0918 9.2246 130.3039 56.8985 42.7493 177.3875 47 G 4.0901 7.6004 105.0277 46.3496 0.0000 172.4876 48 R 5.0794 8.2959 115.5456 54.8837 32.4279 173.9910 49 G 4.2283 8.4654 105.6095 44.3109 0.0000 171.2983 50 H 5.5086 8.3752 114.6446 53.5515 32.1222 172.3283 51 N 4.9136 8.4791 117.8987 53.5722 39.1506 174.1883 *53 R 4.8998 8.5053 116.9747 56.5566 31.5573 177.4898 54 F 4.2163 8.0583 114.1541 60.0556 39.5115 177.1596 55 Q 4.2096 8.3578 118.6513 58.2446 28.5895 177.0746 56 K 4.4523 7.8334 112.9359 55.0966 33.3548 175.7962 57 G 3.7960 7.8954 106.7636 46.5202 0.0000 173.8708 58 S 4.5140 7.7897 113.3259 56.3406 63.6465 173.9794 59 A 4.3558 8.5217 129.8624 53.0576 19.0469 177.3425 60 T 4.4113 7.5807 103.4448 61.4391 71.2213 175.0387 61 L 4.3184 7.8366 125.1110 54.1412 40.1538 175.4746 62 H 4.8885 7.7608 119.2763 54.9678 31.3954 176.2601 63 G 3.7934 8.6508 108.2725 48.4195 0.0000 175.7533 64 E 4.0644 8.1720 120.4200 59.1960 29.5269 179.3756 65 I 3.8769 7.7384 119.4360 64.3969 37.1950 178.2533 66 S 4.0846 8.6086 114.4747 61.5317 61.9489 176.3013 67 T 3.8730 7.8512 117.5909 66.7832 68.5015 176.2582 68 L 4.1768 8.0570 120.7833 57.7358 41.6503 179.2078 69 E 3.9908 8.5485 119.6050 59.3834 29.3972 178.5400 70 N 4.5073 8.2519 115.1639 55.7693 38.6644 176.6997 71 C 4.5039 7.1343 118.5944 59.4934 28.4969 174.4858 72 G 3.9032 7.7044 107.8409 44.2427 0.0000 173.0886 73 R 4.1438 8.2466 117.5873 56.1913 30.4704 176.5898 74 L 4.7590 8.1146 120.9134 52.3080 45.8877 175.9668 75 E 4.0763 8.5688 122.1757 55.9970 30.2428 177.7579 76 G 4.1116 9.1691 112.8172 48.4696 0.0000 175.8644 77 K 4.0502 8.1646 119.9434 58.8699 31.8541 179.3020 78 V 3.4970 7.8154 118.8752 66.3630 31.2695 177.7423 79 Y 4.1804 7.5691 115.7883 60.7422 37.4390 178.3327 80 K 4.5043 7.7468 119.0537 57.3848 33.1800 176.0541 81 D 5.1116 8.1472 119.5588 53.9294 40.5410 173.6107 82 T 5.2527 7.8428 108.5956 60.2684 73.7017 173.8742 83 T 4.8738 8.7601 117.5248 61.6495 72.2835 172.9198 84 L 4.9305 8.5559 128.5091 53.8716 43.6437 174.4307 85 Y 5.0647 9.2021 124.6223 56.7179 40.3531 174.7169 86 T 5.0792 8.9769 118.2672 60.5001 70.3928 174.6668 87 T 4.4422 9.0356 118.1258 63.7728 69.9665 173.7319 88 L 5.0613 7.7088 123.5766 52.7983 45.5047 175.9553 89 S 4.3888 8.8196 120.4620 58.0632 62.7335 172.4751 90 P 4.7237 0.0000 0.0000 62.2510 31.8184 176.0060 91 C 4.8750 8.6645 115.9236 57.8454 31.0074 174.7966 92 D 4.7546 8.5247 116.5303 54.9347 39.7139 178.5926 *94 C 4.5620 8.2137 119.0413 60.2776 30.6153 176.4756 95 T 3.9897 8.4264 116.6315 66.7409 67.7782 176.8124 96 G 3.6752 8.0492 106.0046 47.6577 0.0000 175.2731 97 A 4.1059 7.8108 121.7352 55.0468 18.8240 179.2525 98 I 3.9106 7.7689 118.3398 64.4802 37.2547 179.2786 99 I 3.6532 7.6449 117.9641 62.0768 36.5781 177.2878 *101 Y 4.5127 7.8989 117.2183 56.5778 39.4843 175.4914 102 G 3.8857 7.9751 107.9153 46.4273 0.0000 173.6104 103 I 4.4414 8.0380 121.1014 59.6171 37.1303 174.7024 104 P 4.4642 0.0000 0.0000 65.0402 32.5399 176.4646 105 R 5.0953 7.8700 118.5754 54.2119 34.2551 174.2224 106 C 5.0936 9.0344 123.0351 57.6410 34.6010 172.5107 107 V 4.6310 8.3726 127.0075 61.2471 33.2447 174.2890 108 V 4.6952 9.1552 129.0107 61.1958 33.3597 176.1519 109 G 3.8797 9.5152 116.8344 48.9548 0.0000 172.8241 110 E 5.1740 7.9808 117.2173 54.5663 33.4117 174.5632 111 N 5.4109 8.4177 115.4037 51.6974 38.2654 175.7923 112 V 3.9184 8.3415 120.1875 66.2808 32.0476 176.8524 113 N 4.6058 8.8589 115.8947 55.1600 38.8495 174.9818 114 F 4.8742 7.8761 117.1382 57.5388 42.1868 172.3386 115 K 4.1551 7.4288 126.2287 55.2738 35.1227 174.7462 116 S 4.5963 7.8843 119.9514 56.0844 65.8495 174.4345 117 K 4.3562 8.3875 117.9913 58.2135 31.5557 179.4611 118 G 4.1265 8.3401 108.8178 47.0664 0.0000 175.2426 119 E 3.9534 7.8358 120.2734 59.3189 29.5889 178.9973 120 K 4.1368 8.0216 118.8835 59.3577 32.3161 177.9180 121 Y 4.2801 8.1632 120.0325 60.6494 38.5677 177.9788 122 L 3.8213 8.3465 120.3242 57.9591 41.7300 179.6249 123 Q 4.1441 7.5546 117.8892 59.3010 28.4487 178.7231 124 T 3.9114 7.8551 115.7783 66.5458 68.5659 175.9016 125 R 4.2126 7.7064 117.0845 56.1178 30.2227 177.3218 126 G 3.8872 8.0187 107.5193 45.3109 0.0000 173.4793 127 H 4.7493 8.0235 116.4465 54.8104 30.4986 174.1561 128 E 4.5526 8.9500 121.7776 54.9036 31.2732 174.7513 129 V 4.8272 8.4098 126.2848 61.0403 34.1321 174.4445 130 V 4.4062 8.7520 127.6213 61.0333 34.1931 174.0587 131 V 4.6072 8.3989 127.7874 61.3939 32.2802 175.3081 132 V 3.6707 9.0131 129.6272 62.7309 32.0825 175.4027 133 D 4.2605 7.7949 117.8794 55.0422 39.0887 173.5809 134 D 4.5084 8.5741 120.5014 53.7215 41.8385 176.5718 135 E 4.0346 8.6901 127.2251 59.1241 29.5411 179.5351 136 R 3.6993 7.9665 118.5948 59.1967 29.7730 178.7385 137 C 4.2636 7.9186 114.7231 62.7560 28.3354 175.4537 138 K 4.3392 7.6377 121.0702 58.8669 32.0289 178.6230 139 K 4.1227 8.1613 118.6905 59.2841 32.1357 180.1026 140 I 3.5352 7.3892 117.0969 61.1686 37.8556 177.4128 *142 K 4.1130 8.0728 121.1435 55.9811 34.1447 177.5838 143 Q 3.9438 8.0695 117.7950 58.9262 28.5571 178.6391 144 F 4.2295 8.0225 121.1849 61.4296 39.2339 177.2347 145 I 3.6507 7.5815 117.8350 64.3311 36.9275 177.7150 146 D 4.4341 8.0222 119.2007 57.3811 40.7355 178.2842 147 E 4.1347 7.9570 117.8714 57.9256 31.1994 177.5727 148 R 4.4653 7.8326 116.8359 52.7811 30.8381 173.7934 149 P 3.9942 0.0000 0.0000 66.3037 31.5837 178.6866 150 Q 4.2162 7.9908 117.2969 58.6440 28.4471 178.3060 151 D 4.6766 8.0394 118.9125 56.9302 41.3864 178.1180 152 W 4.8198 8.3786 129.0038 60.8451 30.7994 178.0154 153 F 4.1935 8.1172 118.0471 60.5972 38.3628 177.2911 154 E 4.0210 8.4133 119.0180 59.3225 29.2184 178.4109 155 D 4.4215 7.8862 117.0521 56.1041 41.2086 177.1988 156 I 4.2542 6.8985 111.3588 59.7860 38.2059 175.3717 157 G 3.8800 7.5578 106.3739 47.2400 0.0000 174.3376 158 E 4.1446 8.5039 125.0964 56.0630 29.5688 176.1843 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 V 8.04 4.10 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 1.01 0.00 0.00 0.94 0.00 0.00 3 T 8.47 3.80 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 4 G 9.00 3.76 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 0.00 0.00 0.00 5 G 7.72 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 *7 A 7.25 4.11 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 8 S 8.98 4.43 0.00 3.95 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 9 K 8.26 3.81 0.00 1.34 1.54 0.00 1.12 0.00 0.00 0.88 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.41 0.21 7.81 10 W 7.77 4.90 0.00 3.56 3.20 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 0.00 11 D 8.12 4.78 0.00 2.87 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 12 Q 7.99 4.09 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 7.05 0.00 0.00 0.00 0.00 0.00 2.34 2.63 0.00 13 K 8.11 4.20 0.00 1.94 2.06 0.00 1.93 0.00 0.00 1.88 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.52 7.81 14 G 7.56 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 0.00 0.00 0.00 0.00 0.00 0.00 *16 D 8.08 4.67 0.00 2.93 2.80 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 17 I 7.82 3.69 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.75 0.90 0.00 0.00 18 A 8.16 4.02 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 19 Y 8.02 4.06 0.00 3.03 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 0.00 20 E 8.40 3.72 0.00 2.21 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 2.33 2.62 0.00 21 E 8.44 3.89 0.00 2.15 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 0.00 2.48 2.66 0.00 22 A 8.03 3.94 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 23 A 7.75 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 8.02 3.93 0.00 1.67 1.67 0.89 0.96 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 25 G 8.06 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 26 Y 8.13 4.25 0.00 3.10 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 27 K 7.97 3.97 0.00 1.91 1.84 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.72 7.81 28 E 7.81 4.29 0.00 2.13 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 2.34 2.52 0.00 29 G 7.99 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 30 G 7.70 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 0.00 0.00 0.00 0.00 31 V 8.21 2.46 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 0.68 0.00 0.00 1.09 0.00 0.00 32 P 0.00 4.70 0.00 2.09 2.11 0.00 2.85 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.04 0.00 33 I 7.41 4.54 1.86 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.81 0.94 0.00 0.00 34 G 8.89 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.98 4.64 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 0.00 0.00 0.00 36 C 8.76 5.29 0.00 3.20 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 37 L 8.88 5.33 0.00 1.80 1.55 1.02 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.73 4.91 2.16 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.68 0.74 0.00 0.00 39 N 8.89 4.72 0.00 2.64 2.67 0.00 0.00 7.05 6.49 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 40 N 9.17 4.50 0.00 2.94 3.03 0.00 0.00 7.10 7.63 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 41 K 8.42 4.23 0.00 1.86 1.89 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.57 1.52 7.81 42 D 7.58 4.73 0.00 2.66 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 43 G 7.64 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 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.71 4.02 0.00 3.71 3.66 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 45 V 8.12 4.17 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 0.80 0.00 0.00 0.85 0.00 0.00 46 L 9.22 4.09 0.00 1.67 1.59 0.77 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 47 G 7.60 4.09 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 0.00 0.00 0.00 48 R 8.30 5.08 0.00 1.89 1.86 0.00 3.07 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 49 G 8.47 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 0.00 0.00 0.00 0.00 50 H 8.38 5.51 0.00 3.19 3.30 0.00 5.55 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 N 8.48 4.91 0.00 2.78 3.03 0.00 0.00 7.05 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 *53 R 8.51 4.90 0.00 1.81 1.82 0.00 3.04 0.00 0.00 3.23 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.35 0.00 54 F 8.06 4.22 0.00 3.19 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.36 4.21 0.00 2.06 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.95 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 56 K 7.83 4.45 0.00 1.68 1.77 0.00 1.88 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.39 7.81 57 G 7.90 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 0.00 0.00 0.00 58 S 7.79 4.51 0.00 3.82 3.69 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 59 A 8.52 4.36 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 60 T 7.58 4.41 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 61 L 7.84 4.32 0.00 1.72 1.66 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 62 H 7.76 4.89 0.00 3.18 3.24 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.65 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 64 E 8.17 4.06 0.00 2.14 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 2.47 2.53 0.00 65 I 7.74 3.88 2.06 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 1.56 1.07 0.97 0.00 0.00 66 S 8.61 4.08 0.00 3.89 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 67 T 7.85 3.87 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 68 L 8.06 4.18 0.00 1.91 1.78 1.04 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.55 3.99 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 70 N 8.25 4.51 0.00 2.91 2.86 0.00 0.00 7.10 7.86 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 71 C 7.13 4.50 0.00 3.07 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 72 G 7.70 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 0.00 0.00 0.00 73 R 8.25 4.14 0.00 1.83 1.92 0.00 3.18 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 74 L 8.11 4.76 0.00 1.14 1.11 0.31 0.74 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 75 E 8.57 4.08 0.00 2.02 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 2.37 2.38 0.00 76 G 9.17 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 77 K 8.16 4.05 0.00 1.83 1.89 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.56 1.54 7.81 78 V 7.82 3.50 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 0.76 0.00 0.00 0.80 0.00 0.00 79 Y 7.57 4.18 0.00 3.25 2.99 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 80 K 7.75 4.50 0.00 1.86 1.91 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.74 1.51 7.81 81 D 8.15 5.11 0.00 2.67 2.52 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 82 T 7.84 5.25 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 83 T 8.76 4.87 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 0.49 0.00 0.00 84 L 8.56 4.93 0.00 1.80 1.50 1.06 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 9.20 5.06 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 86 T 8.98 5.08 4.32 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 1.41 0.00 0.00 87 T 9.04 4.44 4.32 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 1.40 0.00 0.00 88 L 7.71 5.06 0.00 1.60 1.60 1.12 0.97 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 89 S 8.82 4.39 0.00 4.02 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 90 P 0.00 4.72 0.00 2.40 2.23 0.00 3.51 0.00 0.00 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 91 C 8.66 4.88 0.00 3.36 3.33 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 92 D 8.52 4.75 0.00 2.83 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 *94 C 8.21 4.56 0.00 3.11 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 95 T 8.43 3.99 4.55 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 1.36 0.00 0.00 96 G 8.05 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 A 7.81 4.11 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 I 7.77 3.91 1.99 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 1.54 0.89 0.84 0.00 0.00 99 I 7.64 3.65 1.98 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 1.30 1.13 0.87 0.00 0.00 *101 Y 7.90 4.51 0.00 2.87 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 G 7.98 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 I 8.04 4.44 1.94 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.65 0.96 0.00 0.00 104 P 0.00 4.46 0.00 2.12 2.31 0.00 3.88 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 2.26 2.19 0.00 105 R 7.87 5.10 0.00 1.59 1.76 0.00 3.09 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 1.65 1.55 0.00 106 C 9.03 5.09 0.00 2.93 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 0.00 107 V 8.37 4.63 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.88 0.00 0.00 108 V 9.16 4.70 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 1.10 0.00 0.00 0.97 0.00 0.00 109 G 9.52 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 0.00 110 E 7.98 5.17 0.00 2.11 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 2.50 0.00 111 N 8.42 5.41 0.00 2.79 2.97 0.00 0.00 6.32 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 0.00 112 V 8.34 3.92 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 0.85 0.00 0.00 0.94 0.00 0.00 113 N 8.86 4.61 0.00 2.83 2.74 0.00 0.00 6.85 7.08 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 0.00 114 F 7.88 4.87 0.00 3.51 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 0.00 115 K 7.43 4.16 0.00 1.79 1.46 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.22 1.47 7.81 116 S 7.88 4.60 0.00 4.00 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 0.00 117 K 8.39 4.36 0.00 1.77 1.85 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.46 7.81 118 G 8.34 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 0.00 0.00 0.00 0.00 119 E 7.84 3.95 0.00 2.11 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 2.33 2.36 0.00 120 K 8.02 4.14 0.00 1.93 1.82 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.60 7.81 121 Y 8.16 4.28 0.00 3.14 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 0.00 122 L 8.35 3.82 0.00 1.89 1.68 0.93 0.98 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 0.00 123 Q 7.55 4.14 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 124 T 7.86 3.91 4.37 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 1.25 0.00 0.00 125 R 7.71 4.21 0.00 1.55 1.80 0.00 3.10 0.00 0.00 2.91 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.89 0.00 126 G 8.02 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 H 8.02 4.75 0.00 3.14 3.23 0.00 5.65 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 E 8.95 4.55 0.00 2.03 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 0.00 2.24 2.24 0.00 129 V 8.41 4.83 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 0.86 0.00 0.00 1.00 0.00 0.00 130 V 8.75 4.41 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 0.92 0.00 0.00 0.94 0.00 0.00 131 V 8.40 4.61 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 0.86 0.00 0.00 0.95 0.00 0.00 132 V 9.01 3.67 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.03 0.00 0.00 133 D 7.79 4.26 0.00 2.84 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 0.00 134 D 8.57 4.51 0.00 2.66 2.52 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 0.00 135 E 8.69 4.03 0.00 1.95 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 2.36 2.31 0.00 136 R 7.97 3.70 0.00 1.13 0.85 0.00 2.61 0.00 0.00 2.93 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.45 0.00 137 C 7.92 4.26 0.00 3.12 3.04 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 0.00 0.00 0.00 0.00 138 K 7.64 4.34 0.00 1.85 1.95 0.00 1.78 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.33 7.81 139 K 8.16 4.12 0.00 2.01 1.79 0.00 1.80 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.40 7.81 140 I 7.39 3.54 1.85 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.65 0.99 0.00 0.00 *142 K 8.07 4.11 0.00 1.92 1.93 0.00 1.60 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.37 1.63 7.81 143 Q 8.07 3.94 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 144 F 8.02 4.23 0.00 3.25 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 0.00 145 I 7.58 3.65 1.79 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.03 0.81 0.00 0.00 146 D 8.02 4.43 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 E 7.96 4.13 0.00 1.72 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 2.30 2.53 0.00 148 R 7.83 4.47 0.00 0.67 1.38 0.00 2.82 0.00 0.00 2.50 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.13 0.00 149 P 0.00 3.99 0.00 2.15 2.30 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 150 Q 7.99 4.22 0.00 2.15 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.95 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 151 D 8.04 4.68 0.00 2.87 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 W 8.38 4.82 0.00 3.53 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 0.00 153 F 8.12 4.19 0.00 3.25 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 0.00 154 E 8.41 4.02 0.00 2.25 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 0.00 2.29 2.33 0.00 155 D 7.89 4.42 0.00 2.82 2.60 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 0.00 156 I 6.90 4.25 1.66 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.58 -0.42 0.00 0.00 157 G 7.56 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 0.00 158 E 8.50 4.14 0.00 1.95 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 2.23 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.