NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 Y 4.6415 8.1449 118.3381 57.0334 39.3265 174.7360 11 P 4.3513 0.0000 0.0000 61.4054 32.3056 174.3634 12 Y 4.1675 8.7140 122.4029 58.0138 40.7579 174.1514 13 C 4.7494 8.0837 127.8222 58.7324 33.5290 172.7353 14 R 4.5682 8.9592 125.6921 53.9434 33.7075 174.5548 15 L 5.1415 8.4569 124.2765 53.6392 44.2915 175.2575 16 T 4.8841 8.7591 120.5378 60.4038 71.0289 174.0410 17 D 4.9144 8.8802 124.2356 53.7307 40.2089 176.2108 18 Q 4.5810 7.7242 119.1801 53.4287 30.5715 173.6527 19 P 4.2513 0.0000 0.0000 63.1118 31.8068 176.7189 20 L 4.1730 8.3973 122.4278 54.6631 42.3747 176.8975 21 S 4.6400 8.3915 115.5902 56.6084 64.0844 175.1667 22 V 3.5406 8.2394 129.2648 65.9536 31.3778 177.1928 23 D 4.3369 8.1043 118.2742 57.6383 40.7014 178.7545 24 E 3.7506 7.9552 118.5562 59.3692 29.2359 179.6677 25 V 3.0590 6.9213 116.8239 65.6030 31.6868 177.4913 26 L 3.9926 8.1606 120.2931 58.0839 41.9743 178.8439 27 A 3.9207 8.1995 120.8268 55.0603 18.1072 179.4186 28 A 4.0205 7.7591 118.1318 54.2257 18.4625 178.2820 29 V 4.1741 7.1503 114.1883 62.6639 32.7346 175.7670 30 S 4.5239 7.6164 114.6045 57.9424 63.9974 173.7133 31 G 4.2955 8.1982 113.7712 44.8358 0.0000 171.9295 32 P 4.1952 0.0000 0.0000 65.1881 31.6439 177.2233 33 E 4.3039 8.0163 114.7453 56.3048 30.1964 175.4890 34 Q 4.4116 7.9495 119.0904 54.8815 27.7526 175.6843 35 G 3.8857 7.9198 111.5142 47.1848 0.0000 172.4037 36 G 4.3798 8.4580 107.8697 44.2522 0.0000 172.2237 37 I 5.1055 8.3361 124.4413 59.3760 40.5690 174.7458 38 V 4.1697 8.8699 127.4392 60.9310 33.8651 174.2228 39 I 4.9821 8.2550 127.7234 59.4724 40.0130 174.3216 40 F 4.8072 9.3841 130.0208 56.3346 41.5743 174.2263 41 V 4.3108 7.4543 125.5873 60.8867 33.6716 174.8723 42 G 3.9092 8.7925 116.6914 45.0610 0.0000 172.1214 43 N 5.4246 8.3179 124.1954 51.1930 41.4871 174.8711 44 V 3.8022 8.5229 122.6288 63.1627 32.6134 176.1828 45 R 4.6319 8.4382 126.9171 54.5448 32.3008 175.3790 46 D 4.1541 8.3456 120.0015 54.3214 41.6401 175.4206 *54 T 4.1853 8.2669 119.9518 62.1501 67.6169 172.5256 55 R 4.5324 8.8231 128.8929 54.4661 32.6727 175.4078 56 L 5.2254 7.9036 123.8749 53.2281 45.3909 174.8794 57 F 5.3016 9.3463 124.2032 55.9209 43.1360 173.3071 58 Y 5.6594 9.1452 121.0402 56.5803 40.2071 174.4619 59 E 5.2559 9.5977 124.0459 54.6742 32.5415 175.0615 60 A 4.9597 8.5811 123.8013 51.0719 23.0069 175.4852 61 Y 4.5835 8.6582 121.0668 55.6780 38.6337 174.3346 62 P 4.1356 0.0000 0.0000 65.1406 31.5400 176.5130 63 P 4.0261 0.0000 0.0000 65.7633 31.1490 178.3125 64 M 4.0242 7.5232 116.2254 58.5484 32.2618 178.1931 65 V 3.5360 7.6086 118.2325 66.1108 31.6433 178.0206 66 I 3.6327 7.9990 119.8989 64.2731 36.9396 178.2827 67 R 3.8388 7.7954 119.2178 59.8492 29.9179 178.6344 68 T 3.8708 8.0131 115.3820 66.6781 68.3774 176.5931 69 L 4.0194 8.2760 121.2313 58.0426 41.6356 179.5182 70 M 4.0422 8.3025 118.8547 58.3107 31.9868 178.5740 71 S 4.0995 8.1376 113.2393 61.5366 62.5164 176.3472 72 I 3.6895 7.7824 122.2042 64.4855 36.8729 178.3084 73 I 3.8117 8.0196 120.8729 64.5473 36.7359 178.7104 74 G 3.6376 7.9832 105.1210 47.9052 0.0000 175.6952 75 R 4.1150 7.9876 120.2261 59.1651 29.6904 178.9681 76 C 4.2179 8.3013 116.7029 62.8303 27.9420 175.9131 77 E 4.1436 8.1961 118.8707 58.7475 29.1135 178.2509 78 D 4.4965 7.4884 116.1753 56.2427 41.3606 177.3555 79 K 4.1100 7.5540 117.1394 59.1603 32.3053 176.8247 80 A 4.6574 7.3720 118.1958 50.2862 22.0707 175.0745 81 E 3.9710 8.5528 120.9936 57.3719 29.9206 177.1212 82 G 3.8319 8.8678 112.7077 45.9416 0.0000 172.2072 83 V 4.6255 7.6507 119.4381 61.7198 32.4342 175.3285 84 R 4.9481 8.8455 126.9381 54.3778 33.0008 175.0440 85 V 5.0302 9.0381 122.7748 61.0566 34.5085 174.5060 86 A 5.1718 9.3743 128.1514 50.2916 22.7505 175.0369 87 V 5.0344 8.9400 119.5135 61.1624 35.6669 174.0214 88 A 5.2316 9.4261 128.6500 50.4480 22.2636 174.2575 89 H 5.2470 9.2777 122.0739 54.3222 33.1637 172.4496 90 R 5.2668 9.2181 125.9139 55.3765 31.7181 174.9535 91 T 4.7646 9.2514 114.4113 60.5972 72.7410 173.6688 92 G 4.0817 9.2055 107.6134 44.2409 0.0000 171.8234 93 E 4.2057 8.4930 120.3576 55.9567 30.3102 177.4326 94 L 4.9456 8.6319 125.3807 53.0557 45.8225 175.6338 95 Q 4.6710 8.9268 119.5005 53.4836 32.8484 175.3655 96 I 3.9462 8.1809 121.4772 63.4195 37.3475 176.7324 97 G 4.0004 8.7491 114.3044 45.0575 0.0000 173.4225 98 D 4.6142 7.9652 120.1141 53.8706 42.2079 175.5931 99 A 4.7517 8.7476 124.3840 51.4035 18.7075 177.1759 100 A 4.5276 9.6823 126.0240 53.9196 20.5021 177.6764 101 V 4.9013 7.5590 113.3300 60.1888 35.4122 174.6388 102 V 4.8950 9.1931 122.9484 61.3181 34.6630 174.0828 103 I 5.1059 9.2572 128.7143 59.4520 40.8569 174.7343 104 G 4.5345 9.2891 112.7835 44.3778 0.0000 171.5109 105 A 5.4570 9.2436 125.5903 50.1001 22.8396 175.1445 106 S 5.2302 9.1007 115.8161 56.9461 67.2012 172.6275 107 A 4.9708 8.6152 120.2772 51.3029 22.5286 175.4535 108 P 4.7142 0.0000 0.0000 64.6474 32.4854 176.5612 109 H 5.0674 7.9738 114.6273 53.2014 32.1676 174.9463 110 R 4.1560 8.6695 118.4568 59.3586 29.1686 178.8411 111 A 4.0779 8.1518 121.0751 55.3795 18.4333 179.3483 112 E 3.9888 8.0293 115.1720 59.1084 29.5029 179.4497 113 A 4.0166 7.9944 120.7853 54.9638 18.5654 179.4844 114 F 3.9872 8.5130 116.4314 60.7041 38.9947 177.4796 115 D 4.3837 8.4863 118.4015 57.4978 40.6058 178.9344 116 A 3.9743 8.0804 120.8390 55.0557 18.3688 179.4910 117 A 3.9085 8.0065 119.3597 55.3165 18.5104 179.9157 118 R 3.7443 8.0051 117.2239 59.6438 30.1922 178.3209 119 M 3.9708 8.1637 118.1013 58.7148 32.2409 177.5780 120 C 4.0230 8.2647 119.0181 62.7135 31.6623 175.5236 121 I 3.7130 7.5049 119.6240 63.7469 37.4743 177.6613 122 E 3.8744 7.9904 119.4459 59.4046 29.3475 179.2983 123 L 3.9572 7.9670 118.9604 57.5747 41.6472 179.3093 124 L 3.9145 7.9577 120.2435 58.1603 41.8499 179.0094 125 K 3.9189 7.9884 118.2973 59.5770 32.1509 178.4127 126 Q 4.1419 7.8687 117.5912 57.7453 28.7648 176.5676 127 E 4.3464 7.8769 117.5941 57.3064 31.5972 176.4443 128 V 3.4694 7.7099 119.1119 62.2016 31.3600 173.6602 129 P 4.3737 0.0000 0.0000 62.2756 31.4474 175.3792 130 I 4.7652 7.6956 122.7119 58.9083 41.4402 173.8903 131 W 4.7228 9.3591 128.9548 55.4854 30.8143 174.9834 132 K 5.3392 9.0127 126.0493 54.8070 33.5468 175.0647 133 K 4.8837 9.4412 127.2550 54.6939 35.1219 175.0267 134 E 5.2324 9.0823 125.6093 55.4536 32.7734 175.5155 *135 F 5.1026 9.1366 123.9783 55.5338 43.4918 169.8703 136 S 4.9112 8.4261 109.8061 57.8827 65.0491 174.4019 137 S 4.2731 8.7809 118.1854 58.4097 62.2046 173.4202 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 10 Y 8.14 4.64 0.00 3.00 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 11 P 0.00 4.35 0.00 2.19 2.17 0.00 3.82 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 2.09 2.18 0.00 12 Y 8.71 4.17 0.00 3.05 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 13 C 8.08 4.75 0.00 2.96 2.71 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 14 R 8.96 4.57 0.00 1.56 1.61 0.00 3.05 0.00 0.00 2.79 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.08 0.00 15 L 8.46 5.14 0.00 1.55 1.48 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 16 T 8.76 4.88 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 1.28 0.00 0.00 17 D 8.88 4.91 0.00 2.84 2.81 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 18 Q 7.72 4.58 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 19 P 0.00 4.25 0.00 2.06 2.01 0.00 3.95 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 2.04 2.01 0.00 20 L 8.40 4.17 0.00 1.65 1.64 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.39 4.64 0.00 3.88 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 22 V 8.24 3.54 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 1.04 0.00 0.00 0.88 0.00 0.00 23 D 8.10 4.34 0.00 2.68 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 24 E 7.96 3.75 0.00 2.04 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 2.32 2.30 0.00 25 V 6.92 3.06 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 0.76 0.00 0.00 0.94 0.00 0.00 26 L 8.16 3.99 0.00 1.75 1.84 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 27 A 8.20 3.92 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 28 A 7.76 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 29 V 7.15 4.17 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 0.97 0.00 0.00 30 S 7.62 4.52 0.00 4.01 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 31 G 8.20 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 0.00 0.00 0.00 0.00 32 P 0.00 4.20 0.00 2.04 2.15 0.00 3.65 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 33 E 8.02 4.30 0.00 2.00 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 2.31 2.30 0.00 34 Q 7.95 4.41 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.62 0.00 35 G 7.92 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 36 G 8.46 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.34 5.11 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.68 0.85 0.00 0.00 38 V 8.87 4.17 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 0.70 0.00 0.00 -0.16 0.00 0.00 39 I 8.26 4.98 1.82 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 1.19 0.74 0.91 0.00 0.00 40 F 9.38 4.81 0.00 3.11 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 41 V 7.45 4.31 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 0.73 0.00 0.00 0.79 0.00 0.00 42 G 8.79 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 43 N 8.32 5.42 0.00 2.60 2.69 0.00 0.00 6.70 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 44 V 8.52 3.80 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 0.87 0.00 0.00 0.85 0.00 0.00 45 R 8.44 4.63 0.00 1.74 1.87 0.00 3.27 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 46 D 8.35 4.15 0.00 2.61 2.57 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 *54 T 8.27 4.19 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 1.20 0.00 0.00 55 R 8.82 4.53 0.00 1.85 1.63 0.00 3.15 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 56 L 7.90 5.23 0.00 1.58 1.37 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 57 F 9.35 5.30 0.00 2.96 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 58 Y 9.15 5.66 0.00 2.96 2.87 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 59 E 9.60 5.26 0.00 2.07 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 2.30 2.36 0.00 60 A 8.58 4.96 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 61 Y 8.66 4.58 0.00 3.02 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 62 P 0.00 4.14 0.00 2.02 2.00 0.00 3.51 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 63 P 0.00 4.03 0.00 1.61 1.90 0.00 2.20 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.85 0.00 64 M 7.52 4.02 0.00 2.38 2.31 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.65 0.00 65 V 7.61 3.54 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 0.97 0.00 0.00 0.91 0.00 0.00 66 I 8.00 3.63 1.86 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.45 0.83 0.00 0.00 67 R 7.80 3.84 0.00 2.07 2.06 0.00 3.10 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 68 T 8.01 3.87 4.38 0.00 0.00 0.00 0.00 0.00 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 69 L 8.28 4.02 0.00 1.81 1.72 0.92 0.81 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 70 M 8.30 4.04 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.79 0.00 71 S 8.14 4.10 0.00 3.90 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 72 I 7.78 3.69 2.02 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.55 0.95 0.00 0.00 73 I 8.02 3.81 2.03 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 1.49 0.83 0.95 0.00 0.00 74 G 7.98 3.64 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 75 R 7.99 4.11 0.00 2.04 1.99 0.00 3.13 0.00 0.00 3.42 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 76 C 8.30 4.22 0.00 3.12 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 77 E 8.20 4.14 0.00 1.96 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 2.44 2.57 0.00 78 D 7.49 4.50 0.00 3.00 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 79 K 7.55 4.11 0.00 1.97 1.86 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.64 1.54 7.81 80 A 7.37 4.66 1.21 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 0.00 0.00 0.00 81 E 8.55 3.97 0.00 1.93 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 2.29 2.37 0.00 82 G 8.87 3.83 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 0.00 0.00 0.00 83 V 7.65 4.63 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 0.88 0.00 0.00 0.98 0.00 0.00 84 R 8.85 4.95 0.00 1.78 1.79 0.00 3.11 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 85 V 9.04 5.03 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 0.94 0.00 0.00 86 A 9.37 5.17 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 87 V 8.94 5.03 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 1.10 0.00 0.00 0.99 0.00 0.00 88 A 9.43 5.23 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 89 H 9.28 5.25 0.00 3.20 3.10 0.00 5.57 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 9.22 5.27 0.00 1.87 1.91 0.00 3.45 0.00 0.00 3.44 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 91 T 9.25 4.76 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 1.31 0.00 0.00 92 G 9.21 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 0.00 0.00 0.00 93 E 8.49 4.21 0.00 1.84 1.73 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 1.91 1.47 0.00 94 L 8.63 4.95 0.00 1.10 1.29 0.88 0.69 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 95 Q 8.93 4.67 0.00 1.86 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 96 I 8.18 3.95 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.71 0.93 0.00 0.00 97 G 8.75 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 98 D 7.97 4.61 0.00 2.71 2.55 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 99 A 8.75 4.75 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 0.00 100 A 9.68 4.53 1.53 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 0.00 101 V 7.56 4.90 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 1.06 0.00 0.00 1.10 0.00 0.00 102 V 9.19 4.89 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 1.02 0.00 0.00 0.91 0.00 0.00 103 I 9.26 5.11 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.66 0.96 0.00 0.00 104 G 9.29 4.53 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 0.00 105 A 9.24 5.46 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 0.00 106 S 9.10 5.23 0.00 3.88 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 0.00 107 A 8.62 4.97 1.33 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 0.00 0.00 108 P 0.00 4.71 0.00 1.95 2.00 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.95 0.00 109 H 7.97 5.07 0.00 3.36 3.16 0.00 5.62 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 0.00 110 R 8.67 4.16 0.00 2.33 2.33 0.00 3.11 0.00 0.00 3.45 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.82 0.00 111 A 8.15 4.08 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.03 3.99 0.00 2.17 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 2.36 2.40 0.00 113 A 7.99 4.02 1.33 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 0.00 0.00 114 F 8.51 3.99 0.00 3.23 3.10 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 0.00 115 D 8.49 4.38 0.00 2.88 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 0.00 116 A 8.08 3.97 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 0.00 117 A 8.01 3.91 1.32 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 0.00 0.00 0.00 118 R 8.01 3.74 0.00 1.99 1.95 0.00 3.04 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 119 M 8.16 3.97 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 120 C 8.26 4.02 0.00 3.16 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 0.00 121 I 7.50 3.71 1.54 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 0.67 1.00 0.60 0.00 0.00 122 E 7.99 3.87 0.00 2.01 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 2.51 2.45 0.00 123 L 7.97 3.96 0.00 1.82 1.70 0.91 0.37 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 0.00 124 L 7.96 3.91 0.00 1.89 1.85 0.99 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 125 K 7.99 3.92 0.00 1.97 1.79 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.51 7.81 126 Q 7.87 4.14 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.51 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 127 E 7.88 4.35 0.00 2.02 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 2.21 2.24 0.00 128 V 7.71 3.47 2.17 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 0.63 0.00 0.00 0.93 0.00 0.00 129 P 0.00 4.37 0.00 2.17 2.00 0.00 3.73 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.93 0.00 130 I 7.70 4.77 1.71 0.00 0.00 0.58 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 1.16 0.76 0.00 0.00 131 W 9.36 4.72 0.00 3.53 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 0.00 132 K 9.01 5.34 0.00 1.99 1.88 0.00 1.96 0.00 0.00 1.94 0.00 0.00 3.07 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.54 1.87 7.81 133 K 9.44 4.88 0.00 1.92 1.81 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.51 7.81 134 E 9.08 5.23 0.00 1.86 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 2.23 2.35 0.00 *135 F 9.14 5.10 0.00 1.93 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 0.00 0.00 0.00 136 S 8.43 4.91 0.00 3.82 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 0.00 137 S 8.78 4.27 0.00 3.88 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 * Residues marked with a * may have inaccurate shift predictions.