NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.5665 0.0000 0.0000 62.7345 33.6411 174.3686 2 L 5.0106 8.3097 118.9023 51.2417 44.5862 175.2593 3 R 4.7859 9.5426 120.2546 54.1937 33.8795 174.1160 4 L 4.8671 8.0714 120.4269 54.6308 42.3590 178.0471 5 G 4.0211 8.5952 111.1093 42.4933 0.0000 171.3714 6 G 4.3802 8.2103 119.7833 46.0133 0.0000 172.4134 7 N 4.3871 7.7147 118.3620 53.7807 37.8375 175.4084 8 G 4.1217 8.5898 108.6527 46.2014 0.0000 174.8377 9 Q 4.1964 8.6906 120.8251 55.5569 29.3244 179.4910 10 L 4.8154 8.5750 126.1881 54.3847 43.0489 175.6807 11 Q 4.7989 9.3554 123.8236 55.0080 33.1604 172.6812 12 Y 5.0576 8.3709 119.4632 54.7348 40.5710 174.4582 13 W 4.6159 8.2681 126.3019 53.9189 31.7656 174.2591 14 P 4.2396 0.0000 0.0000 61.6802 31.9292 176.0815 15 F 4.3176 8.2798 117.8386 57.7149 39.3991 175.6974 16 S 4.4045 8.6651 118.9996 57.5994 63.5521 175.0499 17 S 3.8078 8.8412 124.9204 61.5900 62.4159 176.5224 18 S 4.0996 8.0515 117.0596 61.7979 62.5192 176.0315 19 D 3.6968 7.8351 122.6170 56.5238 40.2565 178.8700 20 L 3.8172 6.9887 119.2094 57.8529 41.6549 178.8433 21 Y 4.3621 7.4956 116.3904 61.3001 37.9529 178.7610 22 N 4.2791 8.4556 117.6258 56.3227 38.4829 177.3299 23 W 4.5031 7.5637 118.6545 60.2052 29.3542 177.9488 24 K 4.0893 8.7067 120.0713 59.4816 31.4858 178.0835 25 N 4.5947 8.8884 118.1466 54.9666 38.6696 175.4158 26 N 5.0444 7.8320 116.2260 52.7449 39.4226 173.6400 27 N 5.1426 8.2326 114.8377 50.6842 42.8152 172.6655 28 P 4.4496 0.0000 0.0000 62.1270 31.7680 177.1443 29 S 4.4532 8.3935 116.1262 58.4023 64.6675 174.4991 30 F 4.5365 8.8151 122.6033 61.9327 38.7528 176.8176 31 S 3.9514 7.9745 114.9011 61.4928 62.8148 176.1338 32 E 4.3207 7.3531 120.3073 58.4596 29.7257 177.3603 33 D 4.4724 7.7557 116.1411 51.5994 43.1482 173.5688 34 P 4.6322 0.0000 0.0000 65.5667 31.1212 177.9289 35 G 3.5766 8.3387 103.6215 48.5739 0.0000 174.6767 36 K 4.1556 7.9468 119.9833 58.7668 31.9752 178.9746 37 L 3.9267 7.8806 118.2274 58.4222 41.7680 179.6118 38 T 3.8085 8.8041 115.9647 66.9280 68.3519 176.4490 39 A 3.9360 7.6608 120.9699 54.8360 18.1996 179.3460 40 L 3.6748 7.6491 118.9064 58.2753 42.2292 179.1346 41 I 3.3907 7.9493 119.9189 64.3225 36.6677 177.9155 42 E 3.9171 8.2657 120.2956 59.5227 29.3076 178.9673 43 S 4.0574 7.7679 112.9083 61.3405 62.5528 176.2082 44 V 3.8731 7.7792 122.0826 64.5182 30.8922 178.1406 45 L 4.0274 7.9636 118.8762 58.3948 41.9174 179.0428 46 T 4.0474 7.6361 115.4142 66.8328 68.1230 177.0300 47 T 3.9218 8.6552 111.4371 64.3439 69.1860 175.1706 48 H 4.6806 8.2426 116.4836 55.1321 30.2786 173.8777 49 Q 3.5087 7.8688 116.4696 56.3610 26.1647 172.2452 50 P 4.5451 0.0000 0.0000 62.4736 32.9330 178.2045 51 T 4.3987 8.4905 111.6971 60.6887 71.2945 175.3627 52 W 3.8021 8.6825 129.0021 60.8976 30.6912 177.4864 53 D 4.3174 8.3956 118.2673 57.4039 40.2878 178.0665 54 D 4.5811 7.9267 119.2477 58.1066 40.9106 178.7915 55 C 4.0078 8.0385 116.6817 63.8384 28.0591 175.5889 56 Q 3.7690 7.5973 119.4913 57.8992 27.4147 178.5434 57 Q 3.8159 8.3310 120.1081 59.5334 29.5036 179.5786 58 L 3.5466 8.6703 121.5243 58.0267 42.1452 178.5968 59 L 3.9321 8.0929 118.7855 57.9186 41.5921 179.7855 60 G 3.8045 8.3858 103.0032 46.6348 0.0000 174.1854 61 T 4.4218 7.0232 116.9086 65.0350 70.2018 175.5580 62 L 4.2674 7.7415 117.9004 55.5549 42.2464 176.8017 63 L 4.7198 7.8473 118.9661 52.4128 43.9903 176.4234 64 T 4.0325 8.4196 111.8662 61.4469 69.4352 175.2666 65 G 3.8747 9.0712 116.8090 49.2772 0.0000 175.0334 66 E 4.5694 8.2418 114.4910 56.1646 30.2338 179.1440 67 E 4.5149 8.4535 119.2615 60.4926 30.3483 182.7537 68 K 4.2436 7.9213 118.0823 60.2783 32.5273 178.4070 69 Q 4.0603 7.7022 119.8736 59.1483 28.8548 178.6757 70 R 3.9206 7.9778 119.4838 59.1232 30.2609 178.2361 71 V 3.6096 7.8331 118.0716 66.3324 31.4505 177.3997 72 L 4.0453 8.1110 117.7913 58.3540 41.3924 179.1670 73 L 3.9544 8.1535 118.1554 58.3693 41.4781 179.7926 74 E 3.8931 8.0750 116.9589 59.2292 29.7557 178.9717 75 A 3.8802 7.7178 120.9228 54.7038 18.2772 179.8913 76 R 3.7074 7.8192 116.8084 59.3987 30.0203 179.0197 77 K 3.8030 7.9331 117.9528 59.3524 32.0898 177.3146 78 A 4.3089 7.2871 117.8942 52.1259 19.3985 178.3922 79 V 4.1618 7.9687 126.7533 62.9612 30.5777 178.7780 *92 E 4.4063 8.7919 114.0154 55.0490 31.8202 176.6967 93 V 3.9372 7.6986 117.0288 66.8931 31.4113 177.4427 94 D 4.5240 8.1804 117.2671 56.7312 40.7431 178.1630 95 A 4.2704 7.4670 119.5307 55.2650 18.5716 179.1319 96 A 4.5635 8.1657 117.2470 54.0202 20.3087 177.8750 97 F 5.1590 8.1676 117.4850 56.3736 39.8331 172.2007 98 P 4.3848 0.0000 0.0000 62.5003 31.9490 178.0767 99 L 4.2709 8.7292 123.1655 56.5225 41.9397 176.8587 100 E 4.5892 7.1906 117.7931 53.4339 32.6348 175.6501 101 R 2.0000 7.6115 118.3863 55.2654 29.1050 174.8420 102 P 4.0059 0.0000 0.0000 62.1301 32.4831 175.3102 103 D 4.6752 7.8085 114.4865 52.9342 39.9397 175.4690 104 W 4.4774 7.7220 119.9959 57.7978 29.7687 175.1468 105 D 4.8063 8.5714 121.7296 52.3371 42.0623 176.5340 106 Y 4.3210 8.3006 125.2531 59.4395 38.4255 177.0120 107 T 4.1373 7.6823 110.7371 63.5328 69.5710 175.4645 108 T 4.3906 7.5506 113.8079 60.6109 71.2005 175.6678 109 T 3.8287 8.5289 114.8605 64.7553 68.4071 176.2164 110 E 3.9529 8.1536 121.9874 59.1961 29.8322 178.8044 111 G 4.0604 7.9812 107.0110 47.4646 0.0000 175.8042 112 R 3.9882 8.1501 120.7257 59.0944 29.9703 178.9654 113 N 4.2927 7.8661 116.4243 56.3814 38.4291 177.2735 114 H 3.7295 7.5130 117.8764 58.3506 28.4680 177.9286 115 L 3.9884 7.6063 120.7594 57.7570 41.6388 179.1877 116 V 3.5883 7.9006 118.5313 66.2157 31.3488 177.6281 117 L 4.4565 8.0215 120.9004 58.0199 41.9300 178.0324 118 Y 4.4718 8.4195 119.6098 61.3624 38.6167 178.6995 119 R 4.0696 8.4457 118.7005 59.1776 30.0687 178.8693 120 Q 4.0423 8.0986 117.6817 59.1796 28.7454 179.1389 121 L 3.9581 8.1693 119.8758 57.5681 41.1743 179.1763 122 L 4.0129 8.4975 120.1662 57.0874 41.5612 177.8418 123 L 4.2861 7.9470 118.9747 56.2269 42.1621 177.9980 124 A 3.9527 7.6713 121.2519 55.1352 18.4998 179.6688 125 G 3.4957 8.0818 104.3333 48.0486 0.0000 175.8581 126 L 4.2894 7.4211 118.6699 56.5218 41.7215 179.2261 127 Q 4.2335 7.4498 118.3101 58.6513 29.1770 177.5284 128 N 4.3525 8.3839 117.3719 56.4286 38.5417 177.0792 129 A 4.2861 7.9686 119.4635 53.7788 18.4927 178.7614 130 G 3.6804 7.8264 106.1010 47.1632 0.0000 174.9114 131 R 4.1113 7.5527 124.0960 55.7492 29.3782 178.5180 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 P 0.00 4.57 0.00 1.98 2.13 0.00 3.14 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.80 0.00 2 L 8.31 5.01 0.00 1.57 1.52 0.82 0.13 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 3 R 9.54 4.79 0.00 1.86 1.95 0.00 2.75 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 4 L 8.07 4.87 0.00 1.58 1.74 1.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.60 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 0.00 0.00 0.00 6 G 8.21 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 7 N 7.71 4.39 0.00 2.84 2.99 0.00 0.00 6.23 7.00 0.00 0.00 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 8.59 4.12 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 0.00 0.00 0.00 9 Q 8.69 4.20 0.00 1.73 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 10 L 8.57 4.82 0.00 1.70 1.74 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 11 Q 9.36 4.80 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.51 0.00 0.00 0.00 0.00 0.00 2.45 2.32 0.00 12 Y 8.37 5.06 0.00 2.37 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 13 W 8.27 4.62 0.00 2.84 2.86 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 14 P 0.00 4.24 0.00 2.24 2.16 0.00 3.90 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 15 F 8.28 4.32 0.00 3.08 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 16 S 8.67 4.40 0.00 3.85 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 17 S 8.84 3.81 0.00 4.07 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 18 S 8.05 4.10 0.00 3.96 4.14 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 19 D 7.84 3.70 0.00 2.33 1.54 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 20 L 6.99 3.82 0.00 1.22 1.28 0.59 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 21 Y 7.50 4.36 0.00 3.00 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 22 N 8.46 4.28 0.00 2.65 2.70 0.00 0.00 6.99 7.45 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 23 W 7.56 4.50 0.00 3.53 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.71 4.09 0.00 1.89 2.07 0.00 1.95 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.55 7.81 25 N 8.89 4.59 0.00 2.78 2.89 0.00 0.00 7.00 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 26 N 7.83 5.04 0.00 2.86 2.84 0.00 0.00 6.70 7.35 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 27 N 8.23 5.14 0.00 2.82 2.68 0.00 0.00 6.91 7.55 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 28 P 0.00 4.45 0.00 2.08 2.00 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 29 S 8.39 4.45 0.00 4.11 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 30 F 8.82 4.54 0.00 3.04 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 31 S 7.97 3.95 0.00 3.83 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 32 E 7.35 4.32 0.00 2.02 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 2.37 2.50 0.00 33 D 7.76 4.47 0.00 2.75 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 34 P 0.00 4.63 0.00 2.12 1.98 0.00 3.59 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 35 G 8.34 3.58 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 36 K 7.95 4.16 0.00 2.02 1.80 0.00 1.72 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.69 1.64 7.81 37 L 7.88 3.93 0.00 1.78 1.63 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 38 T 8.80 3.81 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 1.22 0.00 0.00 39 A 7.66 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 40 L 7.65 3.67 0.00 1.66 1.58 0.71 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.95 3.39 1.73 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 -0.02 0.80 0.00 0.00 42 E 8.27 3.92 0.00 1.98 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 0.00 2.28 2.31 0.00 43 S 7.77 4.06 0.00 3.94 3.85 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 44 V 7.78 3.87 1.72 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 0.95 0.00 0.00 -0.13 0.00 0.00 45 L 7.96 4.03 0.00 1.83 1.74 0.94 0.95 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 46 T 7.64 4.05 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 1.22 0.00 0.00 47 T 8.66 3.92 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 1.31 0.00 0.00 48 H 8.24 4.68 0.00 3.61 3.41 0.00 5.93 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 49 Q 7.87 3.51 0.00 2.33 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 50 P 0.00 4.55 0.00 2.30 2.22 0.00 3.98 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 2.10 2.07 0.00 51 T 8.49 4.40 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 1.22 0.00 0.00 52 W 8.68 3.80 0.00 3.17 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 53 D 8.40 4.32 0.00 2.83 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 54 D 7.93 4.58 0.00 2.99 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 55 C 8.04 4.01 0.00 3.04 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 56 Q 7.60 3.77 0.00 1.90 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 1.49 1.80 0.00 57 Q 8.33 3.82 0.00 2.23 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 58 L 8.67 3.55 0.00 1.75 1.78 0.84 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.09 3.93 0.00 1.77 1.63 0.88 0.62 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 60 G 8.39 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 61 T 7.02 4.42 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 1.08 0.00 0.00 62 L 7.74 4.27 0.00 1.54 1.64 0.76 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.85 4.72 0.00 1.67 1.53 0.71 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 64 T 8.42 4.03 4.29 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 1.26 0.00 0.00 65 G 9.07 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 0.00 0.00 0.00 66 E 8.24 4.57 0.00 1.98 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 2.14 1.84 0.00 67 E 8.45 4.51 0.00 2.00 1.88 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 2.22 2.17 0.00 68 K 7.92 4.24 0.00 1.93 2.03 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.46 7.81 69 Q 7.70 4.06 0.00 2.24 2.14 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 2.40 2.47 0.00 70 R 7.98 3.92 0.00 1.96 1.98 0.00 3.27 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 71 V 7.83 3.61 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 0.96 0.00 0.00 0.95 0.00 0.00 72 L 8.11 4.05 0.00 2.00 1.89 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.15 3.95 0.00 1.79 1.75 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.07 3.89 0.00 2.11 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 0.00 2.52 2.48 0.00 75 A 7.72 3.88 0.38 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 76 R 7.82 3.71 0.00 1.96 2.01 0.00 3.32 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 1.83 1.87 0.00 77 K 7.93 3.80 0.00 1.83 2.02 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 78 A 7.29 4.31 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 79 V 7.97 4.16 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 0.81 0.00 0.00 1.01 0.00 0.00 *92 E 8.79 4.41 0.00 1.96 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 0.00 2.21 1.88 0.00 93 V 7.70 3.94 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 1.10 0.00 0.00 0.98 0.00 0.00 94 D 8.18 4.52 0.00 2.71 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 95 A 7.47 4.27 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.17 4.56 1.50 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 97 F 8.17 5.16 0.00 3.09 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 98 P 0.00 4.38 0.00 1.96 1.76 0.00 3.79 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.83 0.00 99 L 8.73 4.27 0.00 1.72 1.84 1.01 1.11 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 0.00 100 E 7.19 4.59 0.00 1.62 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 2.20 2.29 0.00 101 R 7.61 2.00 0.00 1.12 0.91 0.00 3.01 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.28 0.00 102 P 0.00 4.01 0.00 0.80 1.03 0.00 2.28 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 103 D 7.81 4.68 0.00 2.72 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 0.00 104 W 7.72 4.48 0.00 3.30 2.96 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 0.00 105 D 8.57 4.81 0.00 2.60 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 0.00 106 Y 8.30 4.32 0.00 3.09 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 0.00 107 T 7.68 4.14 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 0.86 0.00 0.00 108 T 7.55 4.39 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 1.16 0.00 0.00 109 T 8.53 3.83 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 1.20 0.00 0.00 110 E 8.15 3.95 0.00 2.03 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 2.38 2.37 0.00 111 G 7.98 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 112 R 8.15 3.99 0.00 1.86 2.00 0.00 3.16 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.96 0.00 113 N 7.87 4.29 0.00 2.52 2.73 0.00 0.00 7.00 8.01 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 0.00 114 H 7.51 3.73 0.00 1.89 1.31 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 L 7.61 3.99 0.00 1.88 1.79 1.06 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.90 3.59 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 1.00 0.00 0.00 0.94 0.00 0.00 117 L 8.02 4.46 0.00 1.79 1.80 1.01 0.81 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 0.00 118 Y 8.42 4.47 0.00 3.55 3.35 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 0.00 119 R 8.45 4.07 0.00 2.16 2.04 0.00 3.28 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.02 0.00 120 Q 8.10 4.04 0.00 2.35 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 121 L 8.17 3.96 0.00 1.79 1.63 1.10 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.50 4.01 0.00 1.90 1.88 0.92 0.69 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 0.00 123 L 7.95 4.29 0.00 1.80 1.91 0.95 0.87 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 0.00 124 A 7.67 3.95 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 0.00 125 G 8.08 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 0.00 126 L 7.42 4.29 0.00 1.66 1.75 0.78 0.67 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 0.00 127 Q 7.45 4.23 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 128 N 8.38 4.35 0.00 2.77 2.96 0.00 0.00 7.00 8.17 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 0.00 129 A 7.97 4.29 1.50 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 0.00 130 G 7.83 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 0.00 131 R 7.55 4.11 0.00 1.81 1.72 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.45 0.00 * Residues marked with a * may have inaccurate shift predictions.