NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5510 8.3644 120.3176 51.5518 39.9287 173.0079 3 Q 4.1363 7.8479 118.3112 55.3933 31.8598 171.7244 4 L 4.0402 8.7192 125.8534 55.9364 43.1103 177.0342 5 T 4.7153 8.6325 112.7359 60.6277 72.7803 174.7059 6 E 3.4630 8.3256 119.5072 58.1056 29.9449 179.0178 7 E 4.1593 8.2499 118.9140 59.8459 29.9391 178.8484 8 Q 4.1356 8.0560 119.0934 59.7446 28.9967 179.0268 9 I 3.9492 8.6016 120.3738 64.4872 37.0332 178.0377 10 A 4.0048 8.7605 121.7654 55.6469 18.4021 179.4180 11 E 4.0571 9.1529 117.2335 59.8252 29.5546 179.3514 12 F 4.5120 8.7151 118.1874 61.1029 38.8719 178.0677 13 K 4.2681 8.8360 118.2128 59.3878 31.7964 178.4615 14 E 3.9266 8.1591 118.6331 59.7819 29.3353 178.8628 15 A 3.8735 8.1843 118.9853 55.3665 18.5898 178.9339 16 F 4.1466 8.2821 118.9140 61.5790 39.3520 177.3738 17 S 4.1246 8.8174 112.1236 61.3270 62.2670 175.8528 18 L 3.8936 8.4556 121.7173 56.2850 41.4002 177.2783 19 F 5.1026 7.4058 117.7541 57.5847 40.4759 174.9014 20 D 5.4697 7.6558 115.0248 55.3843 41.0762 177.4414 21 K 4.5626 7.6349 122.2175 60.2939 34.0754 177.4169 22 D 4.4065 8.1367 119.5404 56.4080 40.7104 178.4539 23 G 4.0980 9.9971 105.6696 45.1996 0.0000 174.1538 24 D 4.4872 7.8342 118.6336 53.7321 39.9928 175.8860 25 G 4.1595 8.0604 120.6436 47.5004 0.0000 174.4638 26 T 4.7532 8.1442 110.6643 60.0076 69.8660 172.5772 27 I 3.7866 8.2549 131.0706 61.5829 38.1963 176.2749 28 T 4.6553 8.5326 116.2870 61.0287 71.0546 175.5638 29 T 3.8266 7.7116 115.4466 65.5793 67.3416 175.8963 30 K 4.0386 7.8864 120.5592 59.6758 32.5090 178.4768 31 E 3.9038 8.5636 119.1349 59.1579 29.0149 179.2873 32 L 3.9050 8.3009 120.2152 58.0184 42.2762 178.7229 33 G 3.8610 7.5055 103.9829 48.3115 0.0000 174.9095 34 T 3.8532 7.8378 118.3601 66.2411 68.0443 176.5291 35 V 3.8328 7.4876 115.8119 64.5996 31.4004 177.3624 *37 R 5.0276 7.7907 116.9345 56.5023 31.6664 177.3743 38 S 4.3018 8.2907 110.2307 60.0433 62.3457 174.1629 39 L 4.6561 7.6522 116.9683 54.6988 42.8035 177.1192 40 G 4.0681 8.8563 107.3932 45.2335 0.0000 174.1705 41 Q 4.4356 7.9146 118.6928 55.0925 30.5407 174.6361 42 N 5.2353 8.2066 118.0055 51.1453 38.5175 172.4334 43 P 4.3463 0.0000 0.0000 62.9006 32.5120 177.9507 44 T 4.2432 8.2990 112.8526 61.1106 71.1186 175.3102 45 E 3.8761 8.7375 122.1516 59.2475 29.5986 179.2101 46 A 3.9372 7.8671 120.5203 55.0393 18.4960 178.7262 47 E 3.9057 8.7676 117.4959 59.7639 29.7207 178.9840 48 L 4.1532 8.1089 117.6035 57.0489 41.9873 178.8911 49 Q 4.2092 7.4764 119.5340 58.7033 29.1423 179.1256 50 D 4.7838 8.3949 120.8074 54.1558 40.7105 178.9165 *52 I 4.1428 7.7109 119.7686 61.6387 39.1938 177.1163 53 N 4.5014 8.2418 115.9004 56.6482 37.9560 176.2794 54 E 3.1652 7.0529 112.8399 59.9583 29.9070 178.4207 55 V 3.6074 7.0981 122.1325 63.3322 32.7462 174.5138 56 D 4.2826 7.3801 131.6987 54.6802 40.8579 176.6150 57 A 4.5963 8.4675 127.5630 52.1215 19.5156 176.5170 58 D 4.6316 8.5821 116.4995 53.6967 41.2608 177.3469 59 G 4.1172 8.2778 105.9848 46.3463 0.0000 174.6012 60 N 4.3214 8.0222 118.3810 54.0627 38.5342 177.6029 61 G 4.0269 8.6410 106.0512 45.7538 0.0000 173.4111 62 T 4.7289 7.3200 109.2317 60.8248 70.7621 174.4313 63 I 4.6994 8.3862 122.8262 59.6804 40.9827 174.1648 64 D 4.8240 8.8740 126.8630 53.3942 42.4948 176.6973 65 F 2.9148 9.0439 127.7029 60.8550 39.2374 175.6203 66 P 4.2471 0.0000 0.0000 65.9375 30.9156 177.8808 67 E 3.8322 8.1461 114.9770 59.6253 29.4914 178.6269 68 F 4.2089 8.0337 119.4575 61.5703 39.4449 176.5999 69 L 3.0713 7.5533 119.4580 57.7726 43.3887 178.5468 70 T 3.8598 7.5383 117.1142 63.6661 64.6610 174.0630 *73 A 4.1145 7.6432 125.8083 52.0783 21.0546 178.7328 74 R 3.9085 7.6265 113.8536 59.5333 30.3425 177.9116 75 K 4.2388 7.5718 119.3210 56.0473 30.0161 176.7257 *77 K 4.3292 7.7429 120.3043 56.4422 34.3851 176.6054 78 D 4.7290 7.6076 115.9979 55.0017 40.9256 176.5977 79 T 4.5262 7.9077 116.1448 61.4328 70.5344 173.6765 80 D 5.0767 8.2738 126.0410 50.8845 43.5802 176.5594 81 S 4.1578 8.6515 117.2216 62.7818 62.7742 175.9994 82 E 3.8280 8.4768 119.8402 59.9177 28.8348 178.2350 83 E 3.9665 8.0388 119.4267 59.9020 30.1994 179.2186 84 E 4.2530 7.8405 116.7529 59.9936 29.4954 178.9617 85 I 3.5440 8.1018 119.3149 64.9340 37.1091 178.1197 86 R 4.0563 8.4340 120.3470 59.4071 30.3437 177.9794 87 E 4.2358 8.2777 117.8410 58.9601 29.6784 178.1523 88 A 3.9370 8.1120 121.1615 55.5690 18.5283 179.7374 89 F 4.4803 7.8812 115.1532 60.6766 39.1094 177.4221 90 R 4.2149 8.0464 117.1695 58.3282 29.6331 178.4878 91 V 3.6447 7.7925 117.7644 66.0900 31.6096 177.0033 92 F 4.5201 8.0834 114.1429 57.6191 40.5080 175.7435 93 D 4.9819 7.6854 120.4193 51.8261 39.2268 175.7376 94 K 3.7778 7.7285 120.2828 60.1791 33.0292 178.1961 95 D 4.3217 7.9634 120.9281 54.7517 40.1929 175.8831 96 G 3.6338 7.9318 106.7885 46.4352 0.0000 173.1019 97 N 4.8598 9.1235 112.4316 52.2027 38.3183 177.4247 98 G 3.8411 9.3832 107.1245 46.1492 0.0000 173.5172 99 Y 4.9582 7.3693 117.3716 56.1137 40.0039 175.1240 100 I 4.7091 8.0523 115.4365 58.0135 41.0695 175.5510 101 S 4.1481 8.6649 115.4660 58.3717 62.7277 174.4117 102 A 4.1131 8.7714 132.4596 55.6702 17.9517 178.2149 103 A 4.0019 7.9975 119.1811 54.6636 18.6550 179.0651 104 E 4.0587 9.8064 116.6600 59.9383 29.5135 179.3584 105 L 3.3661 8.2305 119.8334 57.4957 42.1527 178.5370 106 R 4.0535 7.8940 118.5122 59.9748 30.5392 178.1935 107 H 4.3823 8.7134 117.9558 59.0857 29.6328 178.0922 108 V 3.2737 7.9226 118.2024 63.8415 31.9792 177.7684 *110 T 4.2625 7.8397 107.5621 61.3755 70.0885 175.0895 111 N 4.2437 7.6265 120.3969 56.0726 38.2613 176.9900 112 L 4.1713 7.6462 122.2561 57.5566 42.6023 178.8985 113 G 3.7106 7.6141 104.4688 46.6391 0.0000 174.5412 114 E 4.3486 8.0988 121.1862 58.1246 30.1236 177.6823 115 K 4.2231 7.7439 116.3239 57.1172 32.3957 176.7653 116 L 4.8973 6.9013 117.6548 52.2902 45.5963 176.2973 117 T 4.6549 7.6256 110.7709 59.7266 72.2987 174.9023 118 D 4.3288 8.4416 124.1527 57.6392 40.9717 178.9976 119 E 3.8773 8.2624 119.0111 59.6185 29.3173 178.5833 120 E 3.8734 7.6932 116.6315 59.3949 29.6064 179.0666 121 V 3.5859 7.8182 117.2943 66.1984 31.8212 177.4887 122 D 4.4831 8.3111 118.6041 57.3417 40.5205 179.1782 123 E 3.7108 8.4646 116.3123 57.5703 29.2107 178.9344 *125 I 4.2135 7.7403 122.3139 61.6054 39.0489 178.0123 126 R 3.8274 7.7287 118.9058 59.2411 30.0453 178.1174 127 E 4.0284 7.9939 115.6582 58.5668 29.9697 177.4200 128 A 4.1828 7.1301 121.8365 52.7062 18.8488 177.1581 129 D 4.6790 7.9847 119.1173 52.9096 39.9421 176.0447 130 I 4.7912 8.0701 124.1066 59.1055 38.9423 175.2596 131 D 5.0337 8.1118 122.2932 51.3984 42.1036 176.6163 132 G 3.6901 8.8180 107.1540 49.3653 0.0000 174.9742 133 D 4.2608 7.9064 118.7251 55.3237 40.9284 177.4218 134 G 3.9557 7.6876 105.7871 45.0333 0.0000 174.0693 135 Q 4.2176 8.5999 120.1403 55.7532 29.3515 175.7417 136 V 4.4269 7.7130 119.0363 59.0511 34.3096 174.5392 137 N 4.1745 8.5321 121.2539 53.5717 38.7000 174.6591 138 Y 4.1458 8.3138 127.9163 60.1036 37.6314 178.4765 139 E 4.0755 8.1956 120.7209 59.3564 29.3032 178.6080 140 E 3.9078 8.2826 117.9624 59.8614 29.6275 179.4610 141 F 4.7325 7.8179 115.6720 60.5568 39.1510 177.4297 142 V 3.8841 7.5641 116.3202 65.5299 32.8187 176.2165 143 Q 4.1629 8.3012 120.5316 56.4445 26.1727 176.4313 *146 T 4.1346 7.6933 113.2299 61.5856 69.1779 174.7600 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 D 8.36 4.55 0.00 2.80 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 3 Q 7.85 4.14 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.83 0.00 0.00 0.00 0.00 0.00 2.12 2.51 0.00 4 L 8.72 4.04 0.00 1.67 1.66 0.84 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.63 4.72 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 6 E 8.33 3.46 0.00 2.07 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 2.41 2.44 0.00 7 E 8.25 4.16 0.00 2.03 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 2.68 2.39 0.00 8 Q 8.06 4.14 0.00 2.30 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.74 0.00 9 I 8.60 3.95 2.11 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.68 1.12 0.00 0.00 10 A 8.76 4.00 1.37 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 0.00 0.00 0.00 11 E 9.15 4.06 0.00 2.13 1.95 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 2.31 2.44 0.00 12 F 8.72 4.51 0.00 3.48 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 13 K 8.84 4.27 0.00 2.02 1.76 0.00 1.13 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.01 1.29 7.81 14 E 8.16 3.93 0.00 2.07 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 2.41 2.38 0.00 15 A 8.18 3.87 1.52 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 0.00 0.00 16 F 8.28 4.15 0.00 3.46 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 17 S 8.82 4.12 0.00 3.94 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 18 L 8.46 3.89 0.00 1.26 0.41 0.77 0.53 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 19 F 7.41 5.10 0.00 2.87 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 20 D 7.66 5.47 0.00 2.31 2.40 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 21 K 7.63 4.56 0.00 1.92 1.90 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.72 1.51 7.81 22 D 8.14 4.41 0.00 2.77 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 23 G 10.00 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 24 D 7.83 4.49 0.00 2.74 2.65 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 0.00 0.00 0.00 0.00 25 G 8.06 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 26 T 8.14 4.75 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 27 I 8.25 3.79 1.74 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 0.49 -0.04 0.77 0.00 0.00 28 T 8.53 4.66 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 29 T 7.71 3.83 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 30 K 7.89 4.04 0.00 1.84 1.74 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.50 7.81 31 E 8.56 3.90 0.00 2.18 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 2.40 2.29 0.00 32 L 8.30 3.90 0.00 1.64 1.91 0.96 1.16 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 33 G 7.51 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 34 T 7.84 3.85 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 -0.18 0.00 0.00 35 V 7.49 3.83 2.20 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 1.11 0.00 0.00 0.92 0.00 0.00 *37 R 7.79 5.03 0.00 1.88 1.98 0.00 3.44 0.00 0.00 3.21 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 38 S 8.29 4.30 0.00 3.99 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 39 L 7.65 4.66 0.00 1.63 1.67 1.21 0.91 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 40 G 8.86 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 41 Q 7.91 4.44 0.00 2.20 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.96 0.00 0.00 0.00 0.00 0.00 2.46 2.42 0.00 42 N 8.21 5.24 0.00 2.66 2.72 0.00 0.00 7.04 7.69 0.00 0.00 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 P 0.00 4.35 0.00 2.24 2.10 0.00 3.90 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 44 T 8.30 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 1.27 0.00 0.00 45 E 8.74 3.88 0.00 2.10 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 2.37 2.44 0.00 46 A 7.87 3.94 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 47 E 8.77 3.91 0.00 1.93 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 2.35 2.38 0.00 48 L 8.11 4.15 0.00 1.80 1.73 0.92 1.08 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 49 Q 7.48 4.21 0.00 2.50 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.13 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 50 D 8.39 4.78 0.00 2.68 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 *52 I 7.71 4.14 1.88 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 1.67 0.76 0.92 0.00 0.00 53 N 8.24 4.50 0.00 2.75 2.89 0.00 0.00 7.09 7.26 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 54 E 7.05 3.17 0.00 2.17 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 2.32 2.34 0.00 55 V 7.10 3.61 2.13 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 0.85 0.00 0.00 0.92 0.00 0.00 56 D 7.38 4.28 0.00 2.61 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 57 A 8.47 4.60 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 58 D 8.58 4.63 0.00 3.03 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 59 G 8.28 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 60 N 8.02 4.32 0.00 2.83 2.90 0.00 0.00 6.97 7.59 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 61 G 8.64 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 62 T 7.32 4.73 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 1.23 0.00 0.00 63 I 8.39 4.70 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.12 1.09 0.00 0.00 64 D 8.87 4.82 0.00 2.90 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.04 2.91 0.00 2.57 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 66 P 0.00 4.25 0.00 2.18 2.09 0.00 3.70 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.30 0.00 67 E 8.15 3.83 0.00 2.12 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 2.31 2.38 0.00 68 F 8.03 4.21 0.00 2.91 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 69 L 7.55 3.07 0.00 0.72 1.45 0.45 0.26 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 70 T 7.54 3.86 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 1.12 0.00 0.00 *73 A 7.64 4.11 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 74 R 7.63 3.91 0.00 1.72 1.91 0.00 3.24 0.00 0.00 3.11 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 75 K 7.57 4.24 0.00 1.81 1.69 0.00 1.83 0.00 0.00 1.84 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.53 1.47 7.81 *77 K 7.74 4.33 0.00 1.81 1.90 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.60 7.81 78 D 7.61 4.73 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 4.53 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 80 D 8.27 5.08 0.00 2.83 2.74 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 0.00 0.00 0.00 81 S 8.65 4.16 0.00 3.89 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 82 E 8.48 3.83 0.00 2.05 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 2.41 2.47 0.00 83 E 8.04 3.97 0.00 1.87 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 0.00 2.38 2.58 0.00 84 E 7.84 4.25 0.00 2.23 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 2.35 2.59 0.00 85 I 8.10 3.54 2.09 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 1.57 1.04 1.12 0.00 0.00 86 R 8.43 4.06 0.00 1.85 2.05 0.00 3.29 0.00 0.00 3.25 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 87 E 8.28 4.24 0.00 2.36 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 2.46 2.60 0.00 88 A 8.11 3.94 1.10 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 89 F 7.88 4.48 0.00 3.20 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 90 R 8.05 4.21 0.00 2.23 2.10 0.00 3.12 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 91 V 7.79 3.64 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 0.62 0.00 0.00 0.94 0.00 0.00 92 F 8.08 4.52 0.00 3.33 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 93 D 7.69 4.98 0.00 2.86 2.74 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 0.00 0.00 0.00 94 K 7.73 3.78 0.00 1.82 1.83 0.00 1.87 0.00 0.00 1.79 0.00 0.00 3.39 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 95 D 7.96 4.32 0.00 2.81 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 96 G 7.93 3.63 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 97 N 9.12 4.86 0.00 3.00 3.25 0.00 0.00 7.00 8.02 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 98 G 9.38 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 0.00 0.00 0.00 99 Y 7.37 4.96 0.00 3.19 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 0.00 100 I 8.05 4.71 2.09 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 1.32 0.66 1.11 0.00 0.00 101 S 8.66 4.15 0.00 3.96 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 0.00 102 A 8.77 4.11 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 0.00 103 A 8.00 4.00 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 0.00 104 E 9.81 4.06 0.00 2.16 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 2.42 2.42 0.00 105 L 8.23 3.37 0.00 1.57 1.65 0.90 -0.01 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 0.00 106 R 7.89 4.05 0.00 2.09 2.04 0.00 3.39 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 107 H 8.71 4.38 0.00 3.21 3.34 0.00 5.80 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.92 3.27 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 1.19 0.00 0.00 1.14 0.00 0.00 *110 T 7.84 4.26 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 1.27 0.00 0.00 111 N 7.63 4.24 0.00 2.87 2.78 0.00 0.00 6.77 6.81 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 0.00 112 L 7.65 4.17 0.00 1.56 1.87 0.92 1.01 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 0.00 113 G 7.61 3.71 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 0.00 0.00 0.00 114 E 8.10 4.35 0.00 2.11 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 0.00 2.24 2.33 0.00 115 K 7.74 4.22 0.00 1.72 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.31 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.75 7.81 116 L 6.90 4.90 0.00 1.66 1.46 0.85 0.71 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 0.00 117 T 7.63 4.65 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 1.30 0.00 0.00 118 D 8.44 4.33 0.00 2.69 2.74 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 0.00 0.00 0.00 119 E 8.26 3.88 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 2.54 2.40 0.00 120 E 7.69 3.87 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 2.32 2.38 0.00 121 V 7.82 3.59 2.20 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 0.74 0.00 0.00 0.86 0.00 0.00 122 D 8.31 4.48 0.00 2.88 2.64 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 0.00 123 E 8.46 3.71 0.00 2.05 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 2.58 0.00 *125 I 7.74 4.21 1.94 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 1.44 0.97 1.02 0.00 0.00 126 R 7.73 3.83 0.00 1.98 1.94 0.00 3.11 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 127 E 7.99 4.03 0.00 2.05 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 2.49 2.32 0.00 128 A 7.13 4.18 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.98 4.68 0.00 2.69 2.74 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 0.00 0.00 0.00 130 I 8.07 4.79 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.83 1.04 0.00 0.00 131 D 8.11 5.03 0.00 2.78 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 0.00 132 G 8.82 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.91 4.26 0.00 2.61 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.69 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 0.00 135 Q 8.60 4.22 0.00 2.45 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.66 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 136 V 7.71 4.43 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 0.53 0.00 0.00 0.74 0.00 0.00 137 N 8.53 4.17 0.00 2.61 2.59 0.00 0.00 6.90 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 Y 8.31 4.15 0.00 3.08 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 0.00 139 E 8.20 4.08 0.00 2.08 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 2.04 2.39 0.00 140 E 8.28 3.91 0.00 1.70 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 2.27 2.42 0.00 141 F 7.82 4.73 0.00 3.21 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 0.00 142 V 7.56 3.88 2.47 0.00 0.00 0.00 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 1.08 0.00 0.00 143 Q 8.30 4.16 0.00 2.05 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.32 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 *146 T 7.69 4.13 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 * Residues marked with a * may have inaccurate shift predictions.