NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2740 8.2531 123.5785 52.0148 20.8051 177.7044 4 G 3.9082 7.8366 102.0779 45.3847 0.0000 170.9802 5 V 4.0437 8.1418 124.9749 65.3270 32.4361 179.9312 6 A 4.2071 8.2823 119.1761 55.5685 17.8374 178.5624 7 A 4.1967 7.5827 114.8852 53.0417 18.9139 178.4724 8 W 4.7228 8.6861 120.3378 58.1695 29.8804 179.0295 9 L 4.1822 7.8277 123.2728 58.6999 40.1837 182.7490 10 P 4.5108 0.0000 0.0000 65.8523 30.9605 178.5878 11 F 4.3595 7.5420 116.5303 60.1317 38.9263 177.2719 12 A 4.2491 8.1415 122.7153 55.9841 18.6174 180.1405 13 R 3.7900 8.4412 119.1679 61.7153 27.9739 180.7145 14 A 4.2234 8.3923 120.1271 55.1608 18.1805 178.8932 15 A 3.9744 8.1841 116.6766 53.2583 18.8281 179.1844 16 A 3.5423 8.1618 122.3335 54.9259 18.5566 177.4927 17 I 3.6265 6.3934 118.4489 63.3162 34.0456 175.7993 18 G 3.8538 8.1552 117.4269 44.2182 0.0000 172.9530 19 W 4.4995 7.7584 121.8701 58.7108 32.7964 174.0869 20 M 2.8975 8.9963 117.5574 56.1794 28.3258 177.0598 *33 D 4.5295 8.5157 110.2888 55.5707 40.7280 173.4630 34 K 4.3184 8.0922 127.1754 57.0981 33.4764 179.6102 35 N 5.1371 7.6900 116.3277 51.8670 38.8445 177.2319 36 K 4.6314 7.9153 119.3754 54.4469 35.1078 178.2685 37 R 4.5710 7.9304 117.3120 55.4038 31.5129 180.2549 38 Q 4.4623 8.4759 125.0324 53.8937 31.0055 173.3948 39 D 5.0938 8.3854 117.4973 52.3879 43.4244 174.7596 40 E 5.1056 8.5494 123.9423 54.5328 33.7278 174.7875 41 L 4.7314 8.5161 121.6727 54.0407 42.9141 176.4084 42 I 4.6347 9.0388 117.0706 59.3603 40.9054 174.4705 43 V 4.7968 8.5257 122.6209 61.3166 34.1575 174.0950 44 L 5.1819 9.4999 129.7829 52.9837 43.5131 175.3797 45 N 4.7383 9.7410 125.2296 53.4729 40.0692 174.0157 46 V 4.3244 8.9294 128.3418 61.1938 32.8225 175.4397 47 S 3.7100 8.4768 118.7171 57.9456 62.3402 171.1294 48 G 3.6052 7.4309 113.1738 45.9505 0.0000 174.8031 49 R 3.6673 7.8359 121.5460 55.9528 30.2598 176.1980 50 R 4.6864 8.1667 122.9946 54.9725 30.1174 176.1944 51 F 4.4177 9.2407 124.0594 57.1833 40.5607 174.9505 52 Q 5.1097 8.5935 119.7934 54.6679 32.2608 174.4043 53 T 4.6142 8.6288 116.5909 60.2479 71.8827 172.8624 54 W 4.8263 8.6465 125.4626 56.4293 30.1647 177.1134 55 R 3.9912 9.5373 124.3891 60.0880 29.3400 178.6305 56 T 4.0726 7.5144 109.4199 65.6878 68.4503 175.8250 57 T 4.0059 8.1052 118.2899 66.5817 68.3390 176.3621 58 L 4.2242 8.2133 120.6040 57.7182 41.6517 179.0512 59 E 4.1271 7.8060 117.2091 59.0316 29.4067 178.9779 60 R 4.1032 7.6412 117.7545 57.9268 31.3774 175.7652 61 Y 4.4156 7.8131 116.5461 54.9177 38.1260 173.0466 62 P 4.8585 0.0000 0.0000 62.0757 32.6865 176.5504 63 D 4.5519 8.8505 114.2271 54.0200 37.9694 173.3034 64 T 4.6208 7.0036 108.5935 60.8347 70.9533 175.3762 65 L 3.7055 8.0708 126.0927 58.0760 43.4089 178.9637 66 L 3.9788 7.9472 118.1649 57.5695 41.8175 178.9846 67 G 4.4204 8.2723 107.1202 47.5617 0.0000 172.9077 68 S 5.1037 7.7518 114.6780 57.5745 65.3045 173.8444 69 T 4.1462 8.3890 111.6806 64.6690 67.2187 176.9043 70 E 4.1771 8.4102 121.5771 59.4858 29.5002 178.6793 71 K 4.4552 8.0082 117.5075 59.6962 32.3471 178.3741 72 E 4.2511 8.5920 121.3261 59.3561 29.2318 178.0882 73 F 4.6621 8.3072 115.7637 58.8991 39.1837 175.4667 74 F 4.8501 8.8946 117.1910 56.9513 40.7391 174.5029 75 F 4.5613 8.3231 122.0663 57.5662 40.4081 174.2603 76 N 4.5301 7.6642 124.8118 51.7227 39.9196 174.6327 77 E 3.8831 9.0181 127.7648 59.5836 29.1201 177.3773 78 D 4.4087 7.4181 118.0799 56.3837 41.2703 177.5133 79 T 3.7354 7.7734 114.2354 62.8132 68.9809 174.0638 80 K 3.5903 7.6413 122.1112 56.5966 31.2707 174.1050 81 E 4.7501 6.7955 111.8327 54.4314 33.4963 173.4361 82 Y 4.6768 8.5846 119.4480 57.9850 39.2160 174.4658 83 F 5.2434 8.8820 126.2699 56.3265 42.2382 174.0332 84 F 4.8845 8.3579 124.4524 55.0960 42.0446 175.0817 85 D 4.7216 8.7867 125.0397 54.7403 41.4331 175.8669 86 R 4.3952 7.4666 116.2931 53.6549 32.2187 175.7698 87 D 4.4813 8.3525 118.6429 54.0565 41.5573 175.2632 88 P 4.1951 0.0000 0.0000 65.5556 32.3375 177.3839 89 E 4.2012 8.6263 119.7195 59.2607 30.0717 178.7354 90 V 3.7192 9.5606 119.7692 65.8153 32.0361 177.4680 91 F 3.4355 7.8986 121.2578 61.3809 38.8803 177.1963 92 R 4.0167 8.1322 117.4636 59.8086 29.9516 178.7121 93 C 4.1638 8.4095 116.3828 62.7486 27.9530 176.1891 94 V 3.3413 7.3733 117.9874 65.8304 31.1973 177.3360 95 L 3.7705 7.8101 120.1003 58.2354 41.9228 178.6669 96 N 4.3734 8.6840 116.5781 56.1687 38.1447 177.1369 97 F 4.4833 8.3955 123.4540 60.8936 39.5167 176.5080 98 Y 3.8792 8.2624 115.4375 60.9629 37.6975 176.9308 99 R 4.2595 7.7185 119.4855 57.2589 30.7799 176.6783 100 T 4.2406 7.0972 108.4561 60.9437 70.4004 176.1702 101 G 3.6667 8.5903 111.8302 48.4207 0.0000 174.0058 102 K 4.2764 7.5434 118.7715 55.6763 33.2797 175.9587 103 L 4.6891 8.6871 126.8338 54.3051 43.4420 174.6147 104 H 4.9359 8.8568 123.3802 54.3055 31.1176 174.1521 105 Y 4.1026 8.5140 123.5147 55.1899 38.5147 173.2988 106 P 3.7956 0.0000 0.0000 63.4394 30.4366 178.6600 107 R 3.8709 7.9878 122.5104 56.2267 28.7200 174.3058 108 Y 4.6318 7.9917 118.1546 59.2405 39.8764 176.2596 109 E 4.1187 6.6355 118.0017 55.7567 29.8600 176.6224 110 C 4.3980 8.5015 120.9945 59.5137 33.4788 173.7059 111 I 3.7199 8.6897 128.1038 65.1288 36.6791 177.8590 112 S 4.0925 8.1566 112.3352 61.9712 61.3087 176.4403 113 A 4.0870 7.7817 121.8155 54.8445 18.0059 178.0681 114 Y 4.6198 8.5141 116.4310 58.2365 40.0055 177.6484 115 D 4.1441 8.1623 119.6811 57.5059 41.0717 177.5758 116 D 4.4338 7.9678 119.5188 57.8199 41.0312 179.2663 117 E 3.9441 7.6550 118.7679 59.5135 29.5138 179.4351 118 L 3.9015 7.6877 118.7353 57.7361 41.7297 179.5094 119 A 3.9577 8.2487 120.9897 54.8407 18.0408 179.4165 120 F 3.9962 7.7172 117.9002 61.6954 39.5041 176.5401 121 Y 4.2839 7.7689 113.8677 58.1308 37.4500 176.8293 122 G 3.7531 7.4750 107.1566 45.9346 0.0000 173.1393 123 I 4.0984 7.3110 120.0757 58.9175 38.7157 175.8248 124 L 4.0796 8.3528 125.3547 54.3841 42.2347 176.3811 125 P 3.8359 0.0000 0.0000 65.0321 32.1150 176.5968 126 E 4.5200 7.5858 113.3197 55.2878 28.9700 175.8516 127 I 4.1321 7.5497 116.3065 61.9090 37.8919 177.0710 128 I 3.9138 6.8026 121.9577 60.4690 37.4959 176.7540 129 G 3.8727 8.4856 111.4823 44.6106 0.0000 174.1465 130 D 4.4895 8.5413 119.8554 57.1173 40.7698 178.5501 131 C 4.3394 8.1491 114.2682 60.7719 29.9766 174.6058 132 C 4.8653 8.0531 119.6063 60.9832 29.4938 175.8424 *133 Y 4.3498 7.9979 121.6225 60.7696 36.2969 182.2621 134 E 4.2326 8.0909 118.2763 60.5878 29.9070 178.8586 135 E 4.1880 8.1402 117.6671 59.0417 29.4939 178.4804 136 Y 3.6989 8.5105 122.1990 61.1399 38.9622 178.0533 137 K 4.0382 7.8711 123.9485 59.4771 31.7031 181.4068 138 D 4.8626 7.9985 119.4337 55.4268 41.0191 177.1292 139 R 4.6588 7.6123 118.0878 56.3622 30.1092 175.9782 140 K 4.0101 8.1185 125.8981 55.7205 32.5274 178.2535 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 3 A 8.25 4.27 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.84 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 5 V 8.14 4.04 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 0.83 0.00 0.00 0.93 0.00 0.00 6 A 8.28 4.21 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 7 A 7.58 4.20 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 8 W 8.69 4.72 0.00 3.52 3.42 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 9 L 7.83 4.18 0.00 1.60 1.68 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.51 0.00 1.93 2.16 0.00 3.42 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.78 0.00 11 F 7.54 4.36 0.00 3.34 3.15 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 12 A 8.14 4.25 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 13 R 8.44 3.79 0.00 1.79 1.98 0.00 3.28 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 14 A 8.39 4.22 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 15 A 8.18 3.97 1.45 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 16 A 8.16 3.54 1.06 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 17 I 6.39 3.63 1.87 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 1.23 0.71 0.91 0.00 0.00 18 G 8.16 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 0.00 0.00 0.00 19 W 7.76 4.50 0.00 3.59 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 20 M 9.00 2.90 0.00 2.24 1.78 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.09 0.00 *33 D 8.52 4.53 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 34 K 8.09 4.32 0.00 1.76 1.74 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.31 0.99 7.81 35 N 7.69 5.14 0.00 2.68 2.59 0.00 0.00 6.27 7.44 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 36 K 7.92 4.63 0.00 1.70 1.63 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.25 0.98 7.81 37 R 7.93 4.57 0.00 1.78 1.71 0.00 3.22 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 38 Q 8.48 4.46 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.68 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 39 D 8.39 5.09 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 40 E 8.55 5.11 0.00 2.03 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 2.29 2.35 0.00 41 L 8.52 4.73 0.00 1.32 1.33 0.79 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 42 I 9.04 4.63 2.18 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.92 1.06 0.00 0.00 43 V 8.53 4.80 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 1.11 0.00 0.00 0.99 0.00 0.00 44 L 9.50 5.18 0.00 1.65 1.74 1.09 -0.32 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 45 N 9.74 4.74 0.00 2.86 3.01 0.00 0.00 6.32 8.30 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 46 V 8.93 4.32 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 0.90 0.00 0.00 0.06 0.00 0.00 47 S 8.48 3.71 0.00 4.17 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 48 G 7.43 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 7.84 3.67 0.00 1.76 1.42 0.00 3.17 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 50 R 8.17 4.69 0.00 1.63 1.88 0.00 3.19 0.00 0.00 3.22 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.80 0.00 51 F 9.24 4.42 0.00 3.01 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 52 Q 8.59 5.11 0.00 1.83 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 53 T 8.63 4.61 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 1.24 0.00 0.00 54 W 8.65 4.83 0.00 3.55 3.11 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 55 R 9.54 3.99 0.00 2.13 2.08 0.00 3.19 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 56 T 7.51 4.07 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 1.26 0.00 0.00 57 T 8.11 4.01 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 58 L 8.21 4.22 0.00 1.86 1.67 0.75 0.30 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 59 E 7.81 4.13 0.00 2.13 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 2.40 2.53 0.00 60 R 7.64 4.10 0.00 2.15 2.14 0.00 3.29 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.56 0.00 61 Y 7.81 4.42 0.00 2.78 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 62 P 0.00 4.86 0.00 2.21 2.12 0.00 3.47 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 63 D 8.85 4.55 0.00 3.00 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 64 T 7.00 4.62 4.45 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 1.30 0.00 0.00 65 L 8.07 3.71 0.00 1.70 1.60 0.32 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.95 3.98 0.00 1.24 1.43 0.58 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.27 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 68 S 7.75 5.10 0.00 4.04 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 69 T 8.39 4.15 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 1.26 0.00 0.00 70 E 8.41 4.18 0.00 2.20 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 0.00 2.75 2.71 0.00 71 K 8.01 4.46 0.00 2.22 2.32 0.00 0.61 0.00 0.00 1.40 0.00 0.00 2.64 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.42 1.51 7.81 72 E 8.59 4.25 0.00 2.22 1.74 0.00 0.00 0.00 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 2.32 0.00 73 F 8.31 4.66 0.00 3.28 2.78 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 74 F 8.89 4.85 0.00 3.20 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 75 F 8.32 4.56 0.00 2.80 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 76 N 7.66 4.53 0.00 2.57 2.40 0.00 0.00 6.61 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 77 E 9.02 3.88 0.00 1.93 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 2.44 0.00 78 D 7.42 4.41 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 7.77 3.74 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 1.08 0.00 0.00 80 K 7.64 3.59 0.00 1.99 1.84 0.00 1.84 0.00 0.00 2.00 0.00 0.00 3.26 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.50 7.81 81 E 6.80 4.75 0.00 2.23 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 2.11 2.35 0.00 82 Y 8.58 4.68 0.00 3.23 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 83 F 8.88 5.24 0.00 2.92 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 84 F 8.36 4.88 0.00 2.85 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 85 D 8.79 4.72 0.00 2.96 2.78 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 86 R 7.47 4.40 0.00 1.88 2.03 0.00 3.14 0.00 0.00 2.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.78 0.00 87 D 8.35 4.48 0.00 2.80 2.62 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 88 P 0.00 4.20 0.00 2.38 2.47 0.00 3.90 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 89 E 8.63 4.20 0.00 2.18 2.28 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 2.56 2.57 0.00 90 V 9.56 3.72 2.30 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 0.99 0.00 0.00 1.12 0.00 0.00 91 F 7.90 3.44 0.00 3.14 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 92 R 8.13 4.02 0.00 2.34 2.11 0.00 3.33 0.00 0.00 3.67 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.07 0.00 93 C 8.41 4.16 0.00 3.11 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 94 V 7.37 3.34 1.08 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 0.13 0.00 0.00 0.53 0.00 0.00 95 L 7.81 3.77 0.00 1.36 1.54 0.74 0.97 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 96 N 8.68 4.37 0.00 3.03 2.94 0.00 0.00 6.72 8.15 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 97 F 8.40 4.48 0.00 2.85 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 98 Y 8.26 3.88 0.00 3.07 3.26 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 99 R 7.72 4.26 0.00 1.99 1.91 0.00 3.24 0.00 0.00 3.36 8.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.90 0.00 100 T 7.10 4.24 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 1.24 0.00 0.00 101 G 8.59 3.67 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 0.00 102 K 7.54 4.28 0.00 1.69 1.58 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.36 7.81 103 L 8.69 4.69 0.00 1.72 1.50 0.81 0.66 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 0.00 104 H 8.86 4.94 0.00 3.10 3.19 0.00 5.74 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 0.00 105 Y 8.51 4.10 0.00 2.83 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 0.00 106 P 0.00 3.80 0.00 0.66 1.68 0.00 2.94 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.51 0.00 107 R 7.99 3.87 0.00 1.85 1.85 0.00 3.20 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 108 Y 7.99 4.63 0.00 2.75 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 0.00 109 E 6.64 4.12 0.00 1.39 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 2.26 2.11 0.00 110 C 8.50 4.40 0.00 3.04 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 0.00 111 I 8.69 3.72 1.83 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.69 0.86 0.00 0.00 112 S 8.16 4.09 0.00 3.90 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 0.00 113 A 7.78 4.09 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.51 4.62 0.00 3.07 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 0.00 115 D 8.16 4.14 0.00 2.76 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 0.00 116 D 7.97 4.43 0.00 2.98 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 0.00 117 E 7.66 3.94 0.00 2.34 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 0.00 2.45 2.62 0.00 118 L 7.69 3.90 0.00 1.61 1.66 0.21 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.25 3.96 1.35 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 0.00 0.00 120 F 7.72 4.00 0.00 2.78 2.80 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 0.00 121 Y 7.77 4.28 0.00 2.95 2.78 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 0.00 122 G 7.47 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 0.00 0.00 0.00 123 I 7.31 4.10 1.57 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 0.44 0.05 0.31 0.00 0.00 124 L 8.35 4.08 0.00 1.56 1.49 0.87 1.03 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 0.00 125 P 0.00 3.84 0.00 2.03 2.08 0.00 3.79 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 1.98 1.98 0.00 126 E 7.59 4.52 0.00 1.95 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 2.14 2.24 0.00 127 I 7.55 4.13 1.64 0.00 0.00 0.74 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 0.59 1.05 0.00 0.00 128 I 6.80 3.91 1.71 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.95 0.93 0.00 0.00 129 G 8.49 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 0.00 130 D 8.54 4.49 0.00 2.66 2.77 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 0.00 131 C 8.15 4.34 0.00 3.18 3.11 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 0.00 132 C 8.05 4.87 0.00 3.04 3.15 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 *133 Y 8.00 4.35 0.00 2.33 2.30 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 0.00 134 E 8.09 4.23 0.00 2.02 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 2.51 2.37 0.00 135 E 8.14 4.19 0.00 2.15 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 0.00 2.47 2.38 0.00 136 Y 8.51 3.70 0.00 2.82 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 0.00 137 K 7.87 4.04 0.00 1.85 1.74 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 138 D 8.00 4.86 0.00 2.62 2.76 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 0.00 139 R 7.61 4.66 0.00 1.97 1.92 0.00 3.08 0.00 0.00 3.47 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 140 K 8.12 4.01 0.00 1.74 1.55 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.27 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.