NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9341 8.3393 109.7370 44.7485 0.0000 174.6946 2 P 4.2787 0.0000 0.0000 61.1417 28.7552 173.2642 3 G 3.6614 7.8408 114.4067 46.0888 0.0000 172.4913 4 G 3.6606 8.1947 118.5953 45.4017 0.0000 172.3442 5 S 4.7420 8.2641 120.9131 55.4215 64.8152 172.7108 6 P 4.3442 0.0000 0.0000 64.9648 31.6640 176.3247 7 G 4.1090 8.0732 107.7885 43.1121 0.0000 171.4777 8 G 3.6036 8.6008 112.4614 45.7930 0.0000 175.4371 9 L 4.0522 8.2507 121.4459 57.0855 42.6923 178.6067 10 Q 3.9947 8.1537 114.1205 56.3207 26.2493 174.2073 11 K 5.1407 7.4508 112.4969 55.4949 34.4210 176.5467 12 R 4.7425 7.3507 118.8405 56.2873 31.7606 174.0754 13 H 4.6464 8.4781 114.9410 54.2257 28.8791 175.7177 14 A 4.7565 6.9367 128.1013 52.4794 22.4760 178.7014 15 R 4.2847 8.4168 124.3251 56.0819 27.9054 175.7221 16 V 4.3278 7.1925 112.5896 59.1039 34.6632 175.9753 *18 V 4.1417 8.0204 121.6075 63.1759 32.6564 176.5349 19 K 4.4874 8.8172 127.9516 55.5532 30.9858 176.9123 20 Y 4.6633 7.6860 119.5858 56.5039 38.7125 175.9678 21 D 5.0517 7.9894 115.9243 53.6018 42.0838 177.5590 22 R 4.3738 7.2750 120.5182 55.2538 30.5339 173.4827 23 R 4.3729 7.5836 122.5850 55.6158 32.7075 174.1713 24 E 4.1125 8.8537 119.7974 58.1709 29.7451 177.3300 25 L 4.2000 7.7640 117.8071 56.2146 40.2397 176.9041 26 Q 4.5875 8.4471 114.7278 55.9690 30.2584 175.8107 27 R 4.6008 8.0236 114.8720 56.0340 31.0921 177.3934 28 R 4.3785 7.9174 115.7609 58.8971 30.3402 178.4551 29 L 4.0029 8.1619 119.4762 57.3948 40.7858 179.0857 30 D 4.4953 8.1619 117.1030 56.5860 41.0358 178.2300 31 V 4.1346 8.2168 120.6395 65.4408 31.1858 178.3576 32 E 3.9568 8.1943 119.5746 58.3555 29.4760 179.0830 33 K 3.9839 8.0432 119.6951 58.6830 32.0102 179.0980 34 W 4.0679 9.4321 116.7080 59.5737 28.5466 178.0770 35 I 2.0000 5.4200 119.9269 62.3768 37.0871 177.1136 36 D 4.2034 7.2786 118.7716 57.4085 40.7911 178.5949 37 G 3.5713 7.4405 103.9893 47.5812 0.0000 174.9203 38 R 3.8389 7.4967 121.8482 58.9125 29.8877 178.1492 39 L 3.9927 7.6294 118.6115 57.8217 41.5308 179.2399 40 E 4.4688 7.5345 119.7750 58.7924 29.5450 177.3187 41 E 4.2083 9.0414 118.9296 56.2129 30.0668 179.0805 42 L 2.9505 6.5867 114.0057 54.0401 44.7263 177.6173 43 Y 5.3145 8.8056 125.8935 57.1583 37.7065 171.0927 44 R 3.7680 7.9191 124.8648 59.1719 28.9328 173.9084 45 G 3.9205 8.3718 113.7570 45.4233 0.0000 172.6241 46 R 4.6968 8.0146 115.4913 56.8283 35.0286 174.9684 47 E 4.2871 8.1350 115.9335 55.3562 31.7553 177.1434 48 A 3.9998 9.7613 132.3724 55.9189 19.9778 181.8787 49 D 4.2650 8.5259 115.4572 57.0258 42.4467 176.7815 50 M 4.5631 7.9933 117.7456 53.5161 32.6870 174.0136 51 P 4.3025 0.0000 0.0000 63.0514 32.2327 175.9054 52 D 4.3066 8.2237 113.5562 54.5137 42.3906 174.7059 53 E 5.3636 8.8498 120.8173 56.5604 31.4565 175.0403 54 V 4.4325 8.4896 116.2299 60.9427 38.9179 174.5688 55 N 3.9979 8.0467 117.9524 56.9610 38.4879 176.1413 56 I 3.4236 7.3577 113.8143 64.0597 37.0967 177.1013 57 D 4.7249 7.8579 120.0459 57.6719 40.9743 177.5517 58 E 3.9503 8.0904 119.7371 59.2781 29.4623 178.6344 59 L 4.1137 7.8340 119.3817 58.6447 40.4727 178.4468 60 L 4.2073 8.1821 121.0202 56.7641 43.4326 177.4028 61 E 4.9188 7.4730 113.5433 55.5951 31.9035 173.4384 62 L 4.4605 8.5263 121.3275 55.5238 46.1650 176.8431 63 E 3.9069 8.6654 115.2358 55.9676 27.8011 173.0232 64 S 4.7699 7.6201 110.6905 55.8164 64.3116 173.0001 65 E 3.7271 8.5676 125.1569 55.1495 30.7135 174.5175 66 E 4.0474 8.4399 120.7766 56.6978 27.2665 177.4311 67 E 3.9004 9.7098 124.5338 60.0303 30.6766 177.7783 68 R 4.0741 7.8983 117.8081 59.3833 30.3522 178.7202 69 S 4.1739 8.1384 113.4822 62.0287 62.2709 176.8021 70 R 3.9885 7.5502 120.1617 58.4984 29.9395 178.5824 71 K 4.0765 8.4500 120.3322 59.5259 32.2046 178.5918 72 I 4.3965 7.8654 114.1797 64.0884 37.2616 177.5513 73 Q 3.8419 8.1337 120.4204 58.3112 28.5162 178.6890 74 G 3.5124 8.6960 107.6748 47.7619 0.0000 175.2754 75 L 4.1499 7.8031 121.4554 57.0832 42.6040 177.8808 76 L 4.2742 8.8810 117.9722 55.4197 41.6630 179.1147 77 K 4.1641 8.0528 120.8192 59.4815 32.5463 176.9967 78 S 4.0477 8.1520 113.7236 61.2885 62.9026 170.7677 79 C 3.9738 8.3488 124.1895 59.5209 32.6046 172.7077 80 T 4.7101 8.3496 116.9186 61.4959 70.2431 172.3001 81 N 4.6551 8.0581 123.3252 52.8843 42.8199 174.5217 82 P 4.4386 0.0000 0.0000 63.6017 31.0267 177.5735 83 T 4.1235 8.1206 118.7307 67.3944 68.1869 175.1548 84 E 3.9888 8.5481 120.6031 59.6112 28.6395 178.8547 85 N 4.3621 9.5220 117.0451 56.1863 38.9046 176.6997 86 F 4.2369 8.4811 121.5017 61.7261 39.4431 177.2712 87 V 3.7437 8.2185 117.5913 66.1753 31.2193 178.0701 88 Q 4.0486 8.3858 117.3194 58.9757 28.4376 177.7825 89 E 3.7781 9.4673 122.0246 59.0115 29.6583 178.3438 90 L 2.9877 6.9494 118.3370 57.5704 41.4831 179.6702 91 L 3.9799 7.2209 119.6015 57.5952 42.4022 178.5692 92 V 3.6482 8.9161 118.3268 66.0277 31.3063 178.1235 93 K 3.8280 8.2481 118.2443 59.4421 31.8368 179.1729 94 L 4.2154 7.5678 117.8938 56.5419 41.2323 178.4202 95 R 4.3811 7.5733 117.5680 57.0051 29.9474 177.3121 96 G 3.7745 7.8710 105.0338 46.9267 0.0000 174.7433 97 L 4.4118 7.4918 119.4697 56.7133 42.8574 178.4388 98 H 4.0967 7.5762 113.6473 56.3258 28.8614 175.6589 99 K 4.2545 7.5446 124.8529 56.8170 33.5225 174.8144 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 G 8.34 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 0.00 0.00 0.00 0.00 2 P 0.00 4.28 0.00 2.27 2.11 0.00 3.80 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 1.98 2.02 0.00 3 G 7.84 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 0.00 0.00 0.00 4 G 8.19 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 0.00 0.00 0.00 5 S 8.26 4.74 0.00 3.98 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 6 P 0.00 4.34 0.00 2.20 2.21 0.00 3.70 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 1.99 1.96 0.00 7 G 8.07 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 8 G 8.60 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 9 L 8.25 4.05 0.00 1.65 1.73 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.15 3.99 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.94 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 11 K 7.45 5.14 0.00 2.07 2.07 0.00 1.68 0.00 0.00 1.97 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.35 7.81 12 R 7.35 4.74 0.00 1.82 1.84 0.00 3.09 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 13 H 8.48 4.65 0.00 3.22 3.25 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 A 6.94 4.76 1.28 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 0.00 0.00 0.00 15 R 8.42 4.28 0.00 1.78 1.89 0.00 3.20 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 16 V 7.19 4.33 2.32 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 0.85 0.00 0.00 1.03 0.00 0.00 *18 V 8.02 4.14 2.36 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 0.59 0.00 0.00 1.19 0.00 0.00 19 K 8.82 4.49 0.00 1.56 1.67 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.46 7.81 20 Y 7.69 4.66 0.00 3.05 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 21 D 7.99 5.05 0.00 2.65 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 22 R 7.27 4.37 0.00 1.71 1.78 0.00 3.28 0.00 0.00 3.14 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 23 R 7.58 4.37 0.00 1.77 1.79 0.00 3.35 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 24 E 8.85 4.11 0.00 1.99 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 2.31 2.36 0.00 25 L 7.76 4.20 0.00 1.74 1.97 0.98 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.45 4.59 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.35 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 27 R 8.02 4.60 0.00 1.68 1.78 0.00 3.32 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 28 R 7.92 4.38 0.00 2.11 2.27 0.00 3.19 0.00 0.00 3.33 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.64 0.00 29 L 8.16 4.00 0.00 1.70 1.80 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.16 4.50 0.00 2.73 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 31 V 8.22 4.13 2.34 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 1.10 0.00 0.00 0.92 0.00 0.00 32 E 8.19 3.96 0.00 2.06 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 0.00 2.53 2.44 0.00 33 K 8.04 3.98 0.00 2.03 1.83 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.43 7.81 34 W 9.43 4.07 0.00 3.53 3.44 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 35 I 5.42 2.00 0.56 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 1.32 0.58 0.00 0.00 36 D 7.28 4.20 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 37 G 7.44 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 38 R 7.50 3.84 0.00 1.01 0.98 0.00 3.33 0.00 0.00 3.37 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.50 0.00 39 L 7.63 3.99 0.00 1.55 1.57 0.36 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 40 E 7.53 4.47 0.00 2.00 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 2.29 2.19 0.00 41 E 9.04 4.21 0.00 1.95 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 2.34 2.35 0.00 42 L 6.59 2.95 0.00 1.72 0.75 1.10 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 8.81 5.31 0.00 3.33 3.36 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 44 R 7.92 3.77 0.00 2.00 1.98 0.00 3.43 0.00 0.00 3.39 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 45 G 8.37 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.01 4.70 0.00 1.65 1.86 0.00 2.96 0.00 0.00 2.79 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.52 0.00 47 E 8.13 4.29 0.00 1.86 1.80 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 2.04 2.00 0.00 48 A 9.76 4.00 1.01 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 49 D 8.53 4.27 0.00 2.84 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 50 M 7.99 4.56 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 51 P 0.00 4.30 0.00 2.20 2.05 0.00 3.73 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 52 D 8.22 4.31 0.00 2.59 2.43 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.85 5.36 0.00 2.30 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 2.29 0.00 54 V 8.49 4.43 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 0.83 0.00 0.00 0.97 0.00 0.00 55 N 8.05 4.00 0.00 2.57 2.44 0.00 0.00 5.87 7.07 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 56 I 7.36 3.42 1.47 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.66 0.00 0.00 57 D 7.86 4.72 0.00 3.00 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 58 E 8.09 3.95 0.00 2.12 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 2.65 2.39 0.00 59 L 7.83 4.11 0.00 1.84 1.83 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.18 4.21 0.00 1.81 2.11 1.17 1.27 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 61 E 7.47 4.92 0.00 1.93 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 2.18 2.34 0.00 62 L 8.53 4.46 0.00 1.66 1.60 1.06 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.67 3.91 0.00 2.13 2.16 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 2.14 2.26 0.00 64 S 7.62 4.77 0.00 3.85 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.57 3.73 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 66 E 8.44 4.05 0.00 2.09 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 2.28 2.33 0.00 67 E 9.71 3.90 0.00 2.07 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 0.00 2.32 2.39 0.00 68 R 7.90 4.07 0.00 1.84 1.96 0.00 3.53 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.81 0.00 69 S 8.14 4.17 0.00 3.87 4.03 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 70 R 7.55 3.99 0.00 2.03 2.03 0.00 3.15 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 71 K 8.45 4.08 0.00 1.77 1.91 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.47 7.81 72 I 7.87 4.40 2.38 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.20 1.21 0.00 0.00 73 Q 8.13 3.84 0.00 2.39 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.87 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 74 G 8.70 3.51 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 75 L 7.80 4.15 0.00 1.65 1.98 0.97 0.97 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 76 L 8.88 4.27 0.00 2.04 1.57 0.51 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 77 K 8.05 4.16 0.00 1.83 1.94 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.48 7.81 78 S 8.15 4.05 0.00 3.91 4.03 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 79 C 8.35 3.97 0.00 3.14 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 80 T 8.35 4.71 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 0.21 0.00 0.00 81 N 8.06 4.66 0.00 2.98 2.08 0.00 0.00 6.99 9.00 0.00 0.00 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 P 0.00 4.44 0.00 2.47 2.36 0.00 3.90 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 2.18 2.06 0.00 83 T 8.12 4.12 4.36 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 1.36 0.00 0.00 84 E 8.55 3.99 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 85 N 9.52 4.36 0.00 3.13 2.92 0.00 0.00 6.56 8.05 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 86 F 8.48 4.24 0.00 3.25 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 87 V 8.22 3.74 2.16 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 1.04 0.00 0.00 1.11 0.00 0.00 88 Q 8.39 4.05 0.00 2.36 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.58 0.00 89 E 9.47 3.78 0.00 2.35 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 2.83 2.34 0.00 90 L 6.95 2.99 0.00 1.54 1.43 1.36 0.44 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 91 L 7.22 3.98 0.00 1.78 1.69 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.92 3.65 2.19 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 0.91 0.00 0.00 0.93 0.00 0.00 93 K 8.25 3.83 0.00 1.85 1.59 0.00 1.05 0.00 0.00 1.42 0.00 0.00 3.04 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.16 0.92 7.81 94 L 7.57 4.22 0.00 1.77 1.58 0.83 1.17 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 95 R 7.57 4.38 0.00 1.92 1.88 0.00 3.28 0.00 0.00 3.19 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 96 G 7.87 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.49 4.41 0.00 1.55 1.56 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 98 H 7.58 4.10 0.00 3.22 3.35 0.00 5.79 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 99 K 7.54 4.25 0.00 1.89 1.77 0.00 1.82 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.35 7.81 * Residues marked with a * may have inaccurate shift predictions.