NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.8374 8.3716 117.1840 51.4038 39.3415 173.2392 3 L 3.8420 8.3060 118.1553 53.9650 42.0065 174.1873 4 P 4.4446 0.0000 0.0000 63.3804 32.4990 176.3290 5 T 4.2591 8.9323 112.0086 60.7673 71.2776 175.6303 6 A 4.0270 8.4849 122.1683 55.6623 18.0968 179.8263 7 Q 3.9551 7.9757 115.8590 59.0955 28.7483 178.6977 8 E 3.8916 7.9422 119.2748 59.1408 29.4629 179.3903 9 V 3.0878 7.8212 118.5226 66.0203 31.6634 178.1235 10 Q 4.0979 7.9474 117.4000 58.8795 28.5194 179.1049 11 G 3.5667 7.8104 106.9413 47.6919 0.0000 175.8719 12 L 3.9995 8.1148 121.8507 57.8865 41.4812 179.5663 13 M 4.2214 8.3254 118.3966 57.9907 31.9256 178.7660 14 A 4.0040 7.9801 120.9902 54.9971 18.5473 179.5038 15 R 3.8052 7.9601 117.2846 59.7288 30.1643 177.7410 16 Y 3.9943 8.1011 119.2396 61.1906 38.6311 178.5952 17 I 3.5713 7.6710 120.3264 63.9282 37.0840 178.0547 18 E 3.8589 7.8662 119.9236 59.2722 29.4096 178.9154 19 L 3.8680 7.8610 118.9930 57.7917 41.4301 179.7204 20 V 3.4059 7.2301 117.0349 65.7150 31.4491 177.3121 21 D 4.4279 7.9926 117.2141 57.6015 41.2467 178.4815 22 V 3.8387 7.5677 111.3461 62.0852 31.6101 176.9762 23 G 3.7798 8.2151 106.1829 46.5313 0.0000 174.5941 24 D 4.5617 7.7485 120.4133 52.1875 39.4452 175.3479 25 I 3.6137 7.9088 125.4914 64.1744 37.3894 177.2515 26 E 3.9348 8.1684 118.3813 59.3665 29.0830 179.1598 27 A 4.0174 7.7124 119.8516 54.8124 18.6328 179.5961 28 I 3.6654 7.7458 118.4823 64.6065 37.1966 178.5764 29 V 3.6587 7.9143 119.3242 66.2472 31.0632 177.3188 30 Q 4.2538 7.7121 116.9563 58.0191 29.2606 177.0760 31 M 4.2401 8.3557 119.4387 57.1634 32.1565 175.7130 32 Y 4.6179 7.1943 115.7989 56.5202 39.4481 175.3678 33 A 4.3039 8.7445 126.1135 51.8242 19.3708 178.6503 34 D 4.4794 8.8657 119.8291 55.7426 39.4009 177.6725 35 D 4.5928 7.8192 117.2484 52.4365 40.0173 175.8287 36 A 4.5395 7.7831 121.7528 53.3490 19.9905 177.3976 37 T 5.0373 8.5041 108.3688 59.8509 72.3728 173.1646 38 V 4.7278 8.7064 122.9029 61.2747 35.2616 174.3069 39 E 4.6827 9.1061 125.9453 54.5246 32.1899 174.1585 40 D 4.9384 8.2219 123.8017 51.7931 43.9887 172.9980 41 P 4.5565 0.0000 0.0000 61.6639 33.1454 175.6021 42 F 4.0374 8.5161 124.1921 59.1368 39.5447 174.8130 43 G 3.4533 7.4802 115.3308 45.4211 0.0000 173.6498 44 Q 4.2937 7.0865 120.3116 53.3734 30.3682 173.4250 45 P 4.2367 0.0000 0.0000 62.3504 31.6980 174.3389 46 P 4.7679 0.0000 0.0000 62.7297 32.6486 175.0552 47 I 4.5068 8.5354 114.4716 59.3851 40.1489 173.8511 48 H 5.1159 8.9694 124.0382 55.5256 32.4921 174.0015 49 G 4.1105 9.1749 110.5584 46.0728 0.0000 174.5893 50 R 3.9256 8.4292 119.7956 58.9267 30.0018 179.2640 51 E 3.9276 8.1074 118.5651 59.6362 29.7435 178.8962 52 Q 4.0801 8.0268 117.4253 58.8969 28.6981 178.6995 53 I 3.7316 7.9562 120.9076 64.1344 37.0167 178.2871 54 A 4.1470 8.4908 121.8571 55.0743 18.2435 179.4982 55 A 3.9578 8.0660 119.2857 55.1909 18.5597 179.5293 56 F 3.9937 8.4607 119.2097 61.7108 39.5062 177.5052 57 F 3.8522 8.7062 117.5640 60.0849 38.4104 177.8322 58 R 3.8588 8.1763 118.1911 59.4892 30.0360 177.8065 59 Q 4.1309 7.8522 118.1328 59.1656 28.9989 178.3136 60 G 3.5046 7.3814 104.7080 45.8511 0.0000 174.2261 61 L 4.2069 7.6667 120.9765 53.6581 42.6837 177.3113 *65 K 4.1164 8.1942 123.3714 56.1444 32.2751 173.8903 66 V 4.8753 7.5545 119.7361 60.5752 35.1544 174.2042 67 R 5.0036 8.7965 122.2132 54.4008 32.7951 174.0244 68 A 5.4729 9.1344 122.2323 50.6041 22.4227 175.1587 69 C 4.8533 8.9396 114.3144 56.4387 33.6649 173.3222 70 L 4.6771 8.6832 121.7154 54.9535 41.7747 176.9450 71 T 4.4577 8.5608 113.4867 60.6424 69.0139 173.8968 72 G 3.9918 7.3305 109.4239 44.6938 0.0000 171.6478 73 P 4.4361 0.0000 0.0000 62.2697 31.9375 176.0219 74 V 3.9275 8.1282 119.8882 62.8321 32.4490 175.2793 75 R 4.5670 9.1404 127.6404 55.0997 31.4041 175.3380 76 A 5.2085 8.5534 125.3201 50.2270 22.3153 175.3352 77 S 4.6272 8.4774 115.8818 57.3745 65.6143 173.5866 78 H 4.7673 8.7903 115.1002 56.1688 28.9135 175.3876 79 N 4.8860 7.8827 116.9754 52.6504 37.6888 175.3983 80 G 3.9623 8.4352 104.4821 47.5049 0.0000 173.2003 81 C 5.4643 7.8223 115.8786 57.9648 31.9556 173.1306 82 G 4.6746 8.7150 106.4922 45.4232 0.0000 171.8741 83 A 5.4795 9.3244 122.9395 50.3425 23.0991 175.1409 84 M 5.2412 9.1559 117.8639 53.2737 35.3346 171.9037 85 P 5.4373 0.0000 0.0000 61.7824 33.7523 174.3425 86 F 5.5039 8.9647 117.6069 55.9806 42.1073 172.6268 87 R 4.9933 9.2019 119.1075 54.4505 33.3450 174.1916 88 V 4.9238 8.7390 124.5895 61.1365 34.7942 173.8109 89 E 5.1641 9.2504 127.7803 54.9708 32.2555 175.1648 90 M 5.1579 9.4970 121.7623 54.0313 35.5598 174.0378 91 V 4.6099 8.2844 117.4192 61.0779 33.2471 175.0057 92 W 4.5869 9.6218 135.0000 56.9893 30.0792 175.4445 93 N 4.0476 9.6519 125.1226 54.1431 34.8753 174.1141 94 G 4.2556 8.2093 112.4855 46.0012 0.0000 172.1759 95 Q 4.2752 7.5263 122.2455 54.7964 30.0155 173.5612 96 P 5.1335 0.0000 0.0000 62.9622 32.6235 175.1093 97 C 5.1261 9.4926 115.8500 57.0510 33.6764 172.4024 98 A 5.2858 8.7809 120.8875 50.1091 22.4342 174.8863 99 L 4.9741 8.7385 121.7368 53.3919 45.4584 174.8419 100 D 5.1061 8.5795 126.4619 53.0680 42.1539 176.1903 101 V 4.6796 8.3620 122.4162 61.0939 35.8357 173.9293 102 I 5.0864 8.5175 125.3029 59.7495 40.5704 174.0638 103 D 5.5686 9.2197 126.9923 52.7553 43.4411 175.5319 104 V 4.9493 9.1039 122.9057 61.4436 34.3235 174.1926 105 M 5.1779 9.0602 126.6449 53.4015 36.3599 174.2107 106 R 4.9611 8.5304 122.2252 54.6758 32.8350 174.8532 107 F 5.1185 9.2582 125.5185 56.3136 41.4160 174.7691 108 D 5.0500 9.0724 121.3364 51.3928 42.1701 176.9254 109 E 4.0654 8.8324 114.8395 58.4268 29.3217 177.4970 110 H 4.8009 8.8206 116.2862 55.4620 29.3708 174.7491 111 G 3.9098 8.5398 107.5216 46.0124 0.0000 173.7973 112 R 4.8241 7.9542 117.4882 53.7569 32.7692 175.3419 113 I 3.6453 8.1530 122.2612 61.5246 37.5024 176.6368 114 Q 4.0889 9.2602 130.2647 58.5879 30.3410 175.5516 115 T 5.1624 7.4727 111.7194 60.7376 71.4450 172.1959 116 M 5.2330 8.8754 126.0462 53.9822 36.2197 173.7286 117 Q 5.1238 9.3647 123.9446 54.0182 33.0749 173.9300 118 A 5.4034 8.9438 125.6186 50.5292 21.9132 174.6483 119 Y 4.8729 9.3550 121.8796 56.6207 39.5526 175.2240 120 W 4.8572 8.3666 120.6375 57.1549 30.5717 173.6795 121 S 4.2616 8.2584 114.0793 57.7536 65.2945 174.7769 122 E 4.2065 8.8415 118.4673 59.5395 29.2096 179.4853 123 V 3.8572 7.4635 110.0457 63.3518 31.9024 176.3590 124 N 4.9282 8.4969 116.6682 52.8152 39.7504 173.8118 125 L 4.8574 7.7455 121.8651 54.1574 43.7010 176.8490 126 S 4.7222 9.1547 121.8768 56.3129 64.6715 174.7653 127 V 4.0385 8.1419 122.3876 61.4625 31.4418 176.5239 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 N 8.37 4.84 0.00 2.76 2.70 0.00 0.00 6.64 6.90 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 3 L 8.31 3.84 0.00 1.65 1.63 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.44 0.00 1.91 1.79 0.00 3.82 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.53 0.00 5 T 8.93 4.26 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 1.19 0.00 0.00 6 A 8.48 4.03 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 7 Q 7.98 3.96 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.86 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 8 E 7.94 3.89 0.00 2.13 1.84 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 2.26 2.25 0.00 9 V 7.82 3.09 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 1.13 0.00 0.00 0.76 0.00 0.00 10 Q 7.95 4.10 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 11 G 7.81 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 12 L 8.11 4.00 0.00 1.53 1.69 0.23 0.82 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 13 M 8.33 4.22 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.69 0.00 14 A 7.98 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 R 7.96 3.81 0.00 2.04 2.13 0.00 3.12 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 16 Y 8.10 3.99 0.00 3.24 3.12 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 17 I 7.67 3.57 1.97 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.63 0.86 0.00 0.00 18 E 7.87 3.86 0.00 2.25 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 2.28 2.37 0.00 19 L 7.86 3.87 0.00 1.60 1.50 0.84 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.23 3.41 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 0.80 0.00 0.00 0.50 0.00 0.00 21 D 7.99 4.43 0.00 2.86 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 22 V 7.57 3.84 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 0.79 0.00 0.00 1.00 0.00 0.00 23 G 8.22 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.75 4.56 0.00 2.68 2.51 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 25 I 7.91 3.61 1.87 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 1.70 0.52 0.95 0.00 0.00 26 E 8.17 3.93 0.00 2.00 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 2.41 2.38 0.00 27 A 7.71 4.02 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 28 I 7.75 3.67 1.66 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.55 0.22 0.00 0.00 29 V 7.91 3.66 2.25 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 1.05 0.00 0.00 0.99 0.00 0.00 30 Q 7.71 4.25 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 31 M 8.36 4.24 0.00 2.06 2.33 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.61 0.00 32 Y 7.19 4.62 0.00 3.19 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 33 A 8.74 4.30 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 34 D 8.87 4.48 0.00 2.86 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 35 D 7.82 4.59 0.00 2.84 2.79 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 36 A 7.78 4.54 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.50 5.04 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 1.27 0.00 0.00 38 V 8.71 4.73 1.71 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 0.57 0.00 0.00 0.69 0.00 0.00 39 E 9.11 4.68 0.00 1.95 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 2.11 2.17 0.00 40 D 8.22 4.94 0.00 2.62 2.45 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 41 P 0.00 4.56 0.00 1.32 0.49 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.98 0.00 42 F 8.52 4.04 0.00 2.35 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 G 7.48 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 0.00 0.00 0.00 44 Q 7.09 4.29 0.00 2.07 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 45 P 0.00 4.24 0.00 2.15 1.98 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 46 P 0.00 4.77 0.00 2.05 2.03 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 47 I 8.54 4.51 1.78 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.06 0.76 0.00 0.00 48 H 8.97 5.12 0.00 3.09 3.16 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 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 50 R 8.43 3.93 0.00 1.90 2.03 0.00 3.17 0.00 0.00 3.14 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.70 0.00 51 E 8.11 3.93 0.00 2.05 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 2.40 2.42 0.00 52 Q 8.03 4.08 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 53 I 7.96 3.73 1.81 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.67 0.85 0.00 0.00 54 A 8.49 4.15 1.44 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 55 A 8.07 3.96 1.43 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 0.00 0.00 56 F 8.46 3.99 0.00 3.03 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.71 3.85 0.00 3.19 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 58 R 8.18 3.86 0.00 2.02 1.96 0.00 3.31 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 59 Q 7.85 4.13 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.69 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 60 G 7.38 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.67 4.21 0.00 1.81 1.62 1.17 0.97 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 *65 K 8.19 4.12 0.00 1.74 1.80 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.44 7.81 66 V 7.55 4.88 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 0.90 0.00 0.00 0.91 0.00 0.00 67 R 8.80 5.00 0.00 2.17 1.96 0.00 2.77 0.00 0.00 3.18 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 68 A 9.13 5.47 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 69 C 8.94 4.85 0.00 3.02 3.01 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 70 L 8.68 4.68 0.00 1.60 1.71 0.95 1.01 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 71 T 8.56 4.46 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 1.33 0.00 0.00 72 G 7.33 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 73 P 0.00 4.44 0.00 2.18 2.08 0.00 3.52 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 74 V 8.13 3.93 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 0.83 0.00 0.00 0.97 0.00 0.00 75 R 9.14 4.57 0.00 1.98 1.84 0.00 3.24 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 76 A 8.55 5.21 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 77 S 8.48 4.63 0.00 3.87 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 78 H 8.79 4.77 0.00 3.17 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 N 7.88 4.89 0.00 2.85 2.90 0.00 0.00 6.94 6.72 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 80 G 8.44 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 C 7.82 5.46 0.00 2.88 2.83 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 0.00 0.00 0.00 0.00 82 G 8.71 4.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 9.32 5.48 1.20 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 0.00 0.00 84 M 9.16 5.24 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.63 0.00 85 P 0.00 5.44 0.00 2.18 2.25 0.00 3.80 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.00 0.00 86 F 8.96 5.50 0.00 3.25 3.17 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 87 R 9.20 4.99 0.00 1.87 1.81 0.00 3.04 0.00 0.00 3.10 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.65 0.00 88 V 8.74 4.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 1.05 0.00 0.00 89 E 9.25 5.16 0.00 1.93 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.23 0.00 90 M 9.50 5.16 0.00 1.91 2.14 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 91 V 8.28 4.61 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 0.92 0.00 0.00 0.95 0.00 0.00 92 W 9.62 4.59 0.00 3.21 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 93 N 9.65 4.05 0.00 2.44 2.64 0.00 0.00 7.18 7.65 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 94 G 8.21 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 0.00 0.00 0.00 0.00 95 Q 7.53 4.28 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.05 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 96 P 0.00 5.13 0.00 2.14 2.05 0.00 3.81 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 2.00 1.97 0.00 97 C 9.49 5.13 0.00 2.99 3.14 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 0.00 98 A 8.78 5.29 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 99 L 8.74 4.97 0.00 1.45 1.19 0.69 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.58 5.11 0.00 2.60 2.53 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 0.00 101 V 8.36 4.68 0.67 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 1.14 0.00 0.00 0.45 0.00 0.00 102 I 8.52 5.09 1.98 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.75 0.99 0.00 0.00 103 D 9.22 5.57 0.00 3.01 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 0.00 104 V 9.10 4.95 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 1.10 0.00 0.00 1.03 0.00 0.00 105 M 9.06 5.18 0.00 1.28 1.56 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.16 0.00 106 R 8.53 4.96 0.00 1.82 1.67 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.58 0.00 107 F 9.26 5.12 0.00 2.90 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 0.00 108 D 9.07 5.05 0.00 2.75 2.84 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 0.00 109 E 8.83 4.07 0.00 2.05 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 0.00 1.89 2.14 0.00 110 H 8.82 4.80 0.00 3.25 3.36 0.00 5.91 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 0.00 111 G 8.54 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 0.00 0.00 0.00 112 R 7.95 4.82 0.00 2.25 1.94 0.00 3.33 0.00 0.00 3.52 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 113 I 8.15 3.65 1.04 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 0.11 0.40 0.52 0.00 0.00 114 Q 9.26 4.09 0.00 2.06 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 115 T 7.47 5.16 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 1.18 0.00 0.00 116 M 8.88 5.23 0.00 2.25 1.92 0.00 0.00 0.00 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.65 0.00 117 Q 9.36 5.12 0.00 1.97 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 118 A 8.94 5.40 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 0.00 119 Y 9.35 4.87 0.00 3.01 2.97 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 0.00 120 W 8.37 4.86 0.00 3.35 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 0.00 121 S 8.26 4.26 0.00 3.87 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 0.00 122 E 8.84 4.21 0.00 2.16 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 2.47 2.50 0.00 123 V 7.46 3.86 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 0.70 0.00 0.00 0.99 0.00 0.00 124 N 8.50 4.93 0.00 3.00 2.99 0.00 0.00 6.40 6.25 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 0.00 125 L 7.75 4.86 0.00 1.89 1.63 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 126 S 9.15 4.72 0.00 3.77 3.75 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 0.00 127 V 8.14 4.04 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 0.83 0.00 0.00 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.