NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.7280 8.2649 122.4703 52.1787 20.1924 175.8304 2 T 4.6028 8.8892 116.5006 61.2433 72.4407 171.6567 3 K 5.3181 9.0186 124.9229 54.8396 37.0137 174.5885 4 A 5.4486 9.2498 124.1870 50.8451 23.4545 175.0528 5 V 4.9924 8.7708 117.2319 60.9813 35.4009 173.2384 6 C 4.9341 9.1283 122.1007 58.0520 35.3517 172.6482 7 V 4.4977 8.4711 126.2277 61.6334 32.8894 174.2274 8 L 4.8481 8.8509 129.4675 53.8826 43.0347 176.2463 9 K 4.9664 9.1644 122.3767 54.7104 37.2378 177.8572 10 G 4.5827 9.0741 110.1711 44.9532 0.0000 173.1889 11 D 4.8626 10.1803 119.5158 51.7498 39.9028 175.1487 12 G 3.5973 8.4408 113.1818 46.1090 0.0000 174.1342 13 P 4.2931 0.0000 0.0000 64.3835 31.6281 176.2988 14 V 4.8479 7.5184 116.8296 61.4144 32.9307 175.1119 15 Q 4.8223 8.6891 125.4925 54.8394 33.6742 173.9326 16 G 4.3317 8.6383 108.4287 45.8921 0.0000 171.9530 17 I 5.1231 8.4359 119.9946 59.4135 40.9193 174.9617 18 I 4.6764 8.7707 127.6609 59.4511 40.3336 174.3996 19 N 4.9549 8.3948 124.0249 51.3732 41.1469 173.9169 20 F 5.4560 8.9605 120.0052 55.8963 43.2225 173.7594 21 E 5.3382 9.6459 122.4962 54.8942 33.7120 173.6005 22 Q 4.7073 9.3050 127.2144 54.2891 31.5676 175.8569 23 K 4.0248 9.0766 128.5222 59.0230 32.9054 176.1884 24 E 4.7168 7.7515 114.2174 54.2472 32.3876 173.9591 25 S 4.2285 8.5589 114.0720 60.3229 62.5396 174.2088 26 N 4.2348 8.9340 122.3976 53.6966 36.1710 174.2977 27 G 4.0425 7.7529 107.8835 43.1155 0.0000 171.9715 28 P 4.5991 0.0000 0.0000 62.9778 32.1222 175.7383 29 V 4.6434 8.8296 122.1922 61.3544 33.8245 174.5885 30 K 4.9186 9.1890 128.0532 55.7257 33.8404 175.9028 31 V 4.9080 9.1169 124.9155 60.8607 34.4854 174.2272 32 W 5.9814 7.5607 123.3879 55.7480 31.7064 174.9167 33 G 3.7970 7.7388 106.8620 45.9685 0.0000 170.9657 34 S 5.1309 7.9520 115.5787 57.0129 66.6509 174.2758 35 I 5.1934 8.7368 126.1761 59.3299 41.0130 174.6278 36 K 4.8124 9.2474 125.1996 55.5863 36.1460 176.8763 37 G 4.1580 8.8203 106.4963 46.8306 0.0000 173.3668 38 L 4.5109 7.5221 119.6569 52.8134 43.2612 176.4834 39 T 4.2708 8.1181 111.0059 61.0586 69.5409 174.0800 40 E 4.1555 8.5389 124.2418 58.0107 30.5959 176.1218 41 G 3.8596 8.6994 109.6245 43.9403 0.0000 172.1507 42 L 4.8973 8.1377 119.1368 54.5895 43.0957 176.3950 43 H 5.0006 9.1952 119.3517 53.6920 33.0415 173.5215 44 G 4.0524 9.1241 110.5666 46.7454 0.0000 172.8208 45 F 5.4965 8.4235 123.9761 57.5004 41.9779 172.6031 46 H 5.2939 9.1617 123.1619 53.9737 33.5799 172.8559 47 V 4.4758 8.4245 121.4639 62.3155 32.6407 174.9687 48 H 5.0426 9.3035 125.7147 54.5149 30.4998 176.0638 49 E 3.6734 8.9420 122.6620 58.6942 29.9213 177.1039 50 F 4.9822 8.1135 118.0619 54.8247 41.7462 176.8491 51 G 4.2517 8.3868 112.1476 44.6098 0.0000 174.4074 52 D 4.7427 7.9653 118.2926 52.6719 42.3274 174.2354 53 N 5.3840 8.6433 125.3083 52.6404 39.4284 176.6446 54 T 3.8604 8.4955 109.7716 63.2197 69.4246 174.5692 55 A 4.6838 7.9675 125.8842 51.4002 20.1591 176.7927 56 G 3.8811 7.9741 110.7385 47.1749 0.0000 176.3120 57 C 4.4530 8.5934 115.6108 59.4319 40.6999 175.8563 58 T 3.8348 7.3892 115.4849 66.1631 67.7931 175.6010 59 S 4.5282 7.8764 113.5601 58.7803 63.4174 175.2197 60 A 4.3458 7.4644 126.0061 53.8273 18.3152 178.9374 61 G 4.2504 7.8491 106.0193 43.9017 0.0000 170.9265 62 P 4.7112 0.0000 0.0000 61.8965 33.7270 175.1008 63 H 4.4858 8.4296 116.5341 55.7162 29.4978 175.6517 64 F 4.2696 9.0482 125.5299 58.2153 40.1983 175.3832 65 N 4.9735 7.9108 124.7124 52.2014 39.6131 173.0533 66 P 4.2555 0.0000 0.0000 64.9369 32.1342 177.9453 67 L 4.4403 7.6932 116.9513 53.7158 42.0093 176.2127 68 S 3.6318 7.6105 113.1866 59.6553 60.5953 172.3625 69 R 4.4615 8.1665 118.1907 54.9436 31.5625 176.9603 70 K 4.3137 8.7372 118.5805 56.3106 33.3765 176.5566 71 H 3.9881 8.7599 123.5164 56.6868 30.4600 174.8701 72 G 4.0264 8.0275 110.5275 45.2824 0.0000 172.0981 73 G 4.1075 9.1588 109.1786 43.5882 0.0000 173.3351 74 P 4.3605 0.0000 0.0000 65.3848 31.2590 177.6043 75 K 4.2570 7.8692 115.5401 56.9258 32.5547 176.6370 76 D 4.6213 7.6883 119.7542 53.7283 41.4855 176.5686 77 E 3.9332 8.7629 122.5814 58.9785 29.6694 176.7747 78 E 4.3005 7.9099 120.3708 54.9137 28.6637 174.7463 79 R 4.8746 7.6274 120.0874 54.6894 32.7990 174.7928 80 H 4.4454 8.9430 116.2759 55.3421 29.3651 177.1063 81 V 3.4129 8.2036 121.9875 66.1290 31.4326 177.2442 82 G 3.9304 8.1725 106.4801 46.0544 0.0000 173.1739 83 D 4.9650 7.6792 121.2531 53.2561 39.2092 176.1996 84 L 4.4980 7.9554 122.2298 52.9205 43.1428 177.0415 85 R 4.0325 8.5041 120.2360 56.7125 30.4252 175.9982 86 N 4.6687 8.7107 121.2500 54.2024 39.3161 174.7502 87 V 4.1803 8.4779 114.9247 60.4509 34.4472 175.1169 88 T 4.9621 8.2258 118.8637 61.8598 71.2499 172.9185 89 A 4.8419 8.9376 129.5651 50.6682 21.0828 177.1914 90 D 5.0211 8.8701 122.4335 52.0478 41.1409 177.2030 91 K 4.0289 8.4858 117.2325 59.5170 32.5588 177.2021 92 D 4.5589 8.5032 118.5109 54.0752 41.1273 177.1170 93 G 4.2505 8.4889 108.3175 44.5481 0.0000 172.6356 94 V 4.7186 7.8312 119.5255 60.8726 33.8501 174.1701 95 A 5.3036 8.9568 130.2874 49.5722 20.9093 175.0270 96 D 4.9414 8.6569 123.3770 53.7584 42.1143 175.6360 97 V 4.1427 8.7367 127.5645 61.8532 33.3758 175.1654 98 S 4.7444 8.5604 123.2720 57.3775 65.7865 173.1562 99 I 4.7728 9.1525 125.6801 59.2325 41.4481 174.2015 100 E 5.1666 8.9218 126.1436 54.4628 31.9758 174.3551 101 D 4.9468 9.2704 126.2814 52.7981 44.3262 175.9334 102 S 4.6207 9.0239 120.3149 58.7682 63.7123 174.5570 103 V 4.1621 8.2220 120.5209 64.2710 32.3729 176.4460 104 I 3.9845 7.8482 110.9581 61.3167 37.8497 174.4298 105 S 4.6815 8.2691 114.6414 57.4632 65.4752 173.5276 106 L 4.6488 8.8338 122.2717 54.0486 41.6179 176.3860 107 S 4.4868 8.0196 111.9350 58.4010 64.7726 175.7421 108 G 3.8575 8.5204 108.3789 45.1156 0.0000 173.7876 109 D 4.6336 8.7553 117.4743 56.9016 41.2166 176.1666 110 H 4.8732 7.7316 116.4963 54.2970 29.7363 175.7179 *112 I 3.8480 8.1661 117.1217 59.8197 39.2168 175.4454 113 I 3.7349 7.3467 122.8872 62.8801 37.5167 176.3249 114 G 3.8179 9.4565 113.6742 45.2232 0.0000 172.8301 115 R 4.9347 7.5009 118.9454 54.8305 33.8072 174.5968 116 T 4.9716 7.9974 115.7714 62.0166 70.9632 173.9697 117 L 4.7682 8.5700 128.7129 54.2241 43.9330 175.4305 118 V 5.0300 8.8624 125.7151 61.0336 35.0867 174.2222 119 V 5.0682 8.7517 126.9564 60.4694 33.9024 174.5804 120 H 5.3413 8.7773 120.2107 53.9008 31.1238 174.2679 121 E 4.2126 9.1382 121.4605 58.9116 29.9785 176.6491 122 K 4.8158 8.3967 116.7720 53.6967 36.6813 175.6759 123 A 4.3455 8.4424 122.9223 52.1332 19.0569 176.9335 124 D 4.7137 9.2357 122.4602 54.0775 41.9676 175.9081 125 D 4.5941 9.3536 125.0470 53.1871 39.5749 177.1207 126 L 3.6814 9.6681 119.2096 55.7949 39.5478 175.7507 127 G 4.1003 8.5274 104.8409 46.1313 0.0000 174.7274 128 K 4.6158 7.9536 117.9377 55.8599 32.7062 177.7287 129 G 4.0682 8.0318 110.0372 46.3342 0.0000 176.0875 130 G 4.3856 7.9601 107.9212 44.8392 0.0000 172.5249 131 N 4.9703 7.3928 115.6537 50.8978 40.7186 174.1147 132 E 4.0400 8.6993 118.7564 58.9595 30.1262 178.1193 133 E 3.9366 8.3121 119.0676 59.2440 29.4330 178.3905 134 S 4.1084 8.3244 113.4818 61.4696 62.2856 175.4507 135 T 4.3045 7.6802 109.6642 61.7663 68.4929 175.6955 136 K 4.2528 7.7059 120.7742 58.0674 33.6483 177.1523 137 T 4.1233 7.7694 104.4326 59.9418 70.1166 174.9456 138 G 3.8177 8.0500 110.6670 44.9627 0.0000 173.3351 139 N 4.2928 7.7193 115.3170 54.2719 36.7732 175.1781 140 A 4.5379 8.0446 118.1036 51.7550 19.5365 179.8522 141 G 4.1708 7.3926 105.4885 45.4814 0.0000 174.0452 142 S 4.4036 8.6751 115.6331 58.6873 64.5026 174.3590 143 R 4.3316 8.3843 121.0818 55.4523 29.5536 176.3881 144 L 4.3474 8.8986 125.8899 57.1665 43.1242 177.0522 145 A 4.9033 7.7114 117.9120 51.4434 22.7766 173.9630 146 C 5.6541 8.4794 113.4907 56.0554 46.6495 172.6326 147 G 4.6271 8.0771 104.4990 46.3658 0.0000 172.3084 148 V 4.5865 8.2482 120.5091 61.9663 32.8400 175.4364 149 I 4.1345 8.7580 129.6402 61.0678 37.9644 175.3002 150 G 4.4246 8.9704 114.6541 43.8336 0.0000 172.2721 151 I 4.2256 8.3674 121.9250 61.2870 37.6071 175.3706 152 A 4.8192 8.5634 127.7915 49.5615 22.3664 176.0801 153 Q 4.0703 8.5074 118.5872 56.4993 29.2153 175.8452 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 4.73 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 2 T 8.89 4.60 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 1.23 0.00 0.00 3 K 9.02 5.32 0.00 1.72 1.73 0.00 1.85 0.00 0.00 1.94 0.00 0.00 3.16 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.50 7.81 4 A 9.25 5.45 1.11 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 5 V 8.77 4.99 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 6 C 9.13 4.93 0.00 3.12 2.90 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 7 V 8.47 4.50 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 0.93 0.00 0.00 0.92 0.00 0.00 8 L 8.85 4.85 0.00 1.73 1.59 1.05 0.67 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 9 K 9.16 4.97 0.00 1.64 1.62 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.38 7.81 10 G 9.07 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 D 10.18 4.86 0.00 2.75 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 12 G 8.44 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 13 P 0.00 4.29 0.00 2.18 2.10 0.00 3.68 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 14 V 7.52 4.85 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 0.82 0.00 0.00 0.90 0.00 0.00 15 Q 8.69 4.82 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.36 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 16 G 8.64 4.33 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 0.00 17 I 8.44 5.12 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.75 0.82 0.00 0.00 18 I 8.77 4.68 1.83 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 1.25 1.21 0.48 0.00 0.00 19 N 8.39 4.95 0.00 1.44 1.42 0.00 0.00 6.42 8.11 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 20 F 8.96 5.46 0.00 2.88 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 21 E 9.65 5.34 0.00 2.48 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 2.32 2.53 0.00 22 Q 9.30 4.71 0.00 2.19 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 23 K 9.08 4.02 0.00 1.76 1.84 0.00 1.73 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.50 7.81 24 E 7.75 4.72 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 2.28 2.31 0.00 25 S 8.56 4.23 0.00 3.86 3.84 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 26 N 8.93 4.23 0.00 2.91 2.94 0.00 0.00 6.95 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 27 G 7.75 4.04 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 0.00 0.00 0.00 28 P 0.00 4.60 0.00 2.13 2.14 0.00 3.76 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 2.01 1.99 0.00 29 V 8.83 4.64 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 1.38 0.00 0.00 1.08 0.00 0.00 30 K 9.19 4.92 0.00 1.88 1.78 0.00 1.69 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.48 7.81 31 V 9.12 4.91 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 0.80 0.00 0.00 1.08 0.00 0.00 32 W 7.56 5.98 0.00 3.52 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 33 G 7.74 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 34 S 7.95 5.13 0.00 3.88 3.62 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 35 I 8.74 5.19 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.41 0.87 0.00 0.00 36 K 9.25 4.81 0.00 1.74 1.86 0.00 1.32 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.43 1.33 7.81 37 G 8.82 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 38 L 7.52 4.51 0.00 1.78 1.34 0.78 0.40 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 39 T 8.12 4.27 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 1.24 0.00 0.00 40 E 8.54 4.16 0.00 1.95 1.91 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 2.48 2.27 0.00 41 G 8.70 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 0.00 0.00 0.00 42 L 8.14 4.90 0.00 1.50 1.58 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 43 H 9.20 5.00 0.00 3.00 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.12 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 45 F 8.42 5.50 0.00 2.93 3.05 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 46 H 9.16 5.29 0.00 3.14 2.93 0.00 5.67 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.42 4.48 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 0.97 0.00 0.00 0.88 0.00 0.00 48 H 9.30 5.04 0.00 3.03 3.38 0.00 5.68 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.94 3.67 0.00 1.64 1.12 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 1.47 2.03 0.00 50 F 8.11 4.98 0.00 3.12 2.85 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 0.00 0.00 0.00 0.00 51 G 8.39 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 0.00 0.00 0.00 52 D 7.97 4.74 0.00 2.61 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 53 N 8.64 5.38 0.00 2.81 2.70 0.00 0.00 7.44 7.22 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 54 T 8.50 3.86 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 1.22 0.00 0.00 55 A 7.97 4.68 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 56 G 7.97 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 57 C 8.59 4.45 0.00 2.98 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 58 T 7.39 3.83 4.33 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 1.23 0.00 0.00 59 S 7.88 4.53 0.00 4.14 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 60 A 7.46 4.35 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 61 G 7.85 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 0.00 0.00 0.00 62 P 0.00 4.71 0.00 2.04 2.20 0.00 3.55 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 63 H 8.43 4.49 0.00 2.80 3.17 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.05 4.27 0.00 2.83 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 65 N 7.91 4.97 0.00 2.57 2.48 0.00 0.00 6.94 7.71 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 66 P 0.00 4.26 0.00 2.13 2.09 0.00 3.11 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.46 0.00 67 L 7.69 4.44 0.00 1.58 1.67 0.91 0.87 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 68 S 7.61 3.63 0.00 4.00 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 69 R 8.17 4.46 0.00 1.87 1.95 0.00 3.13 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 70 K 8.74 4.31 0.00 1.67 1.68 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.44 1.50 7.81 71 H 8.76 3.99 0.00 3.11 3.14 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 72 G 8.03 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 0.00 0.00 0.00 73 G 9.16 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 74 P 0.00 4.36 0.00 2.22 2.34 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 75 K 7.87 4.26 0.00 1.77 1.90 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.47 7.81 76 D 7.69 4.62 0.00 2.80 2.63 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 0.00 0.00 0.00 0.00 77 E 8.76 3.93 0.00 1.94 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 2.23 0.00 78 E 7.91 4.30 0.00 1.90 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 2.20 2.25 0.00 79 R 7.63 4.87 0.00 1.95 1.88 0.00 2.92 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 80 H 8.94 4.45 0.00 3.50 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.20 3.41 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 0.72 0.00 0.00 0.32 0.00 0.00 82 G 8.17 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 83 D 7.68 4.96 0.00 2.78 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 84 L 7.96 4.50 0.00 2.02 1.81 0.79 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.50 4.03 0.00 1.84 1.94 0.00 3.29 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 86 N 8.71 4.67 0.00 2.66 2.76 0.00 0.00 6.95 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 87 V 8.48 4.18 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 -0.21 0.00 0.00 0.79 0.00 0.00 88 T 8.23 4.96 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 1.20 0.00 0.00 89 A 8.94 4.84 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 90 D 8.87 5.02 0.00 2.87 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 91 K 8.49 4.03 0.00 1.88 1.99 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.46 7.81 92 D 8.50 4.56 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 93 G 8.49 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 0.00 0.00 0.00 94 V 7.83 4.72 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 0.95 0.00 0.00 0.92 0.00 0.00 95 A 8.96 5.30 1.16 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 96 D 8.66 4.94 0.00 2.67 2.59 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 0.00 0.00 0.00 97 V 8.74 4.14 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 0.77 0.00 0.00 0.72 0.00 0.00 98 S 8.56 4.74 0.00 3.74 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 99 I 9.15 4.77 1.99 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.83 1.02 0.00 0.00 100 E 8.92 5.17 0.00 1.96 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 0.00 2.21 2.30 0.00 101 D 9.27 4.95 0.00 2.87 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 0.00 102 S 9.02 4.62 0.00 3.92 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 0.00 103 V 8.22 4.16 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 0.79 0.00 0.00 0.95 0.00 0.00 104 I 7.85 3.98 1.93 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.82 1.02 0.00 0.00 105 S 8.27 4.68 0.00 3.81 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 0.00 106 L 8.83 4.65 0.00 1.79 1.62 1.03 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 107 S 8.02 4.49 0.00 3.95 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 0.00 108 G 8.52 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 0.00 0.00 0.00 109 D 8.76 4.63 0.00 2.67 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 0.00 110 H 7.73 4.87 0.00 3.22 3.34 0.00 5.66 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 *112 I 8.17 3.85 1.63 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.24 0.93 0.00 0.00 113 I 7.35 3.73 1.78 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 1.21 0.38 0.89 0.00 0.00 114 G 9.46 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 0.00 0.00 0.00 115 R 7.50 4.93 0.00 1.62 1.86 0.00 2.21 0.00 0.00 2.31 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.33 0.00 116 T 8.00 4.97 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 1.23 0.00 0.00 117 L 8.57 4.77 0.00 1.79 1.53 0.41 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.86 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 0.80 0.00 0.00 0.76 0.00 0.00 119 V 8.75 5.07 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 0.80 0.00 0.00 1.02 0.00 0.00 120 H 8.78 5.34 0.00 3.29 3.54 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.14 4.21 0.00 2.03 2.23 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 2.36 2.34 0.00 122 K 8.40 4.82 0.00 1.79 1.65 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.38 7.81 123 A 8.44 4.35 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 0.00 124 D 9.24 4.71 0.00 2.77 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 0.00 125 D 9.35 4.59 0.00 2.92 2.89 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 0.00 126 L 9.67 3.68 0.00 1.86 1.82 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.53 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 0.00 0.00 0.00 128 K 7.95 4.62 0.00 1.87 1.79 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.53 1.49 7.81 129 G 8.03 4.07 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 0.00 0.00 0.00 130 G 7.96 4.39 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 0.00 131 N 7.39 4.97 0.00 2.87 2.77 0.00 0.00 6.77 7.54 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 0.00 132 E 8.70 4.04 0.00 2.06 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 2.37 2.35 0.00 133 E 8.31 3.94 0.00 2.11 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 2.45 2.46 0.00 134 S 8.32 4.11 0.00 4.05 4.01 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 0.00 135 T 7.68 4.30 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 1.21 0.00 0.00 136 K 7.71 4.25 0.00 1.77 1.83 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.32 7.81 137 T 7.77 4.12 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 1.15 0.00 0.00 138 G 8.05 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 0.00 0.00 0.00 139 N 7.72 4.29 0.00 3.01 2.89 0.00 0.00 6.85 8.85 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 0.00 140 A 8.04 4.54 1.24 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 0.00 141 G 7.39 4.17 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 0.00 142 S 8.68 4.40 0.00 3.93 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 0.00 143 R 8.38 4.33 0.00 1.66 1.82 0.00 3.23 0.00 0.00 3.12 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 144 L 8.90 4.35 0.00 1.70 1.69 0.93 0.36 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 0.00 145 A 7.71 4.90 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 0.00 146 C 8.48 5.65 0.00 3.02 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 0.00 147 G 8.08 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 V 8.25 4.59 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 0.82 0.00 0.00 0.95 0.00 0.00 149 I 8.76 4.13 1.81 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.25 0.46 0.00 0.00 150 G 8.97 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.37 4.23 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.55 0.91 0.00 0.00 152 A 8.56 4.82 1.18 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 0.00 153 Q 8.51 4.07 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.