NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3171 8.1631 115.2428 61.6090 68.2814 173.6150 3 G 3.9406 7.5846 109.9793 43.8432 0.0000 169.1320 4 H 4.7441 11.0552 123.8335 54.5144 30.4276 173.4429 5 I 4.1254 8.5798 127.6688 62.8258 38.5862 176.6372 6 D 4.8967 7.5617 115.7717 50.2771 43.6633 174.9529 7 P 4.5806 0.0000 0.0000 62.8716 32.5838 176.6440 8 T 4.3241 8.2522 117.8564 63.1896 70.4632 176.4714 9 K 4.0114 8.7326 129.7970 60.4516 31.2170 178.9070 10 E 4.2106 8.1239 119.3045 59.2996 29.4301 179.5404 11 V 3.7648 7.7906 117.4950 65.4936 31.6872 177.6314 12 F 4.6285 8.5646 120.5940 60.8252 39.1123 177.0513 13 A 3.8938 7.8863 120.8312 55.4413 18.0526 179.4016 14 Q 3.9678 7.5972 114.4255 59.2188 29.0188 179.3591 15 F 4.2204 8.0889 121.3262 61.5526 39.3648 177.5752 16 R 3.8984 7.9807 116.1141 59.0217 29.8580 178.4732 17 A 4.0582 8.4315 120.4223 54.9319 18.3812 178.9609 18 N 4.2599 8.0375 115.5600 56.4714 39.1409 177.1138 19 D 4.3590 7.9302 116.4355 53.1650 38.7644 173.9444 20 R 3.8746 7.3719 116.1895 57.5156 29.7504 175.4483 21 E 4.1010 8.6086 120.7783 56.0593 29.9924 176.0786 22 G 3.9020 7.9541 113.9942 45.1273 0.0000 169.5935 23 P 5.2092 0.0000 0.0000 61.4825 33.7872 174.6234 24 I 4.9391 8.9684 112.3158 59.8022 41.4388 174.3182 25 H 5.7508 8.8201 120.2277 52.9102 33.1634 171.7694 *27 L 4.4192 8.2293 119.4384 55.5847 43.6057 175.5210 28 N 5.1272 8.6832 124.0523 51.3999 41.2690 173.6899 29 L 4.4351 9.1599 127.6766 53.5634 43.9113 176.1304 30 V 4.7658 8.7336 123.8885 59.4858 34.5943 172.3745 31 R 4.9412 9.3622 126.5581 53.5704 31.7383 174.9509 32 L 4.7524 8.8180 127.1176 54.5952 42.6690 177.4333 33 R 4.3719 8.8439 118.9081 55.1959 31.4630 175.6311 34 P 4.3585 0.0000 0.0000 65.3453 32.8652 176.8200 35 R 4.8590 7.8145 119.5809 54.6036 30.7831 178.5278 36 A 4.4164 8.4522 127.0360 50.6386 19.3730 176.9913 37 A 4.7629 8.1617 121.1123 51.6175 19.4389 177.3387 38 Y 4.0322 8.2514 119.3256 57.6849 38.6625 175.0373 39 P 4.3723 0.0000 0.0000 63.4363 33.2972 178.9809 40 D 4.2270 9.0849 124.4740 55.3489 38.1004 175.4999 *43 E 4.2110 9.3082 113.2010 55.0544 32.4170 177.4904 44 T 4.2831 7.4277 113.2964 62.4284 68.6864 173.2986 45 T 4.7322 8.0926 114.5676 60.2824 71.5775 176.0426 46 G 4.1474 8.6655 108.7452 47.6876 0.0000 176.0832 47 A 4.1599 8.1768 125.6640 55.0918 18.4173 180.1626 48 E 3.9428 8.2643 116.7728 61.3211 29.5519 182.6472 49 A 4.4153 8.1085 122.2800 55.1003 18.4117 179.2144 50 Y 3.9788 8.5197 117.9745 60.9452 38.9196 177.8055 51 A 4.0100 8.2180 121.5100 55.5520 18.3133 178.7297 52 A 3.8136 8.2141 118.8996 55.3859 18.1756 178.8947 53 Y 4.3082 7.9131 116.2432 60.7540 39.0211 179.1703 54 G 3.6355 7.9698 108.6422 48.6069 0.0000 176.3152 55 R 3.9297 7.9599 122.6308 60.8544 29.3585 179.9709 56 D 4.7967 7.9995 120.2284 57.3824 41.5752 179.5597 57 S 4.3029 9.0839 120.4683 63.8032 62.2332 179.0034 58 G 4.1229 7.6543 109.4633 46.9646 0.0000 173.7631 59 P 4.3681 0.0000 0.0000 65.1698 31.4080 178.6273 60 V 3.6629 7.9398 118.5811 66.7569 31.4785 178.2278 *61 F 4.2367 8.2689 122.3252 62.7279 37.9464 179.9234 62 E 4.1663 9.0537 119.9844 61.1051 29.2768 181.2513 63 R 4.1392 7.6270 118.1563 59.0146 30.3177 177.8258 64 L 4.4552 7.8342 115.5037 54.7889 41.8446 177.5029 65 G 3.9301 7.8338 107.2124 45.2403 0.0000 174.1274 66 G 3.4360 8.1532 108.9462 46.4940 0.0000 174.7029 67 K 4.6991 8.3727 124.6158 53.2924 36.6734 175.8409 68 V 4.1946 8.3402 124.7183 61.7792 31.3155 176.0263 69 V 3.8484 8.8718 129.1641 65.1488 31.8646 175.7277 70 W 5.3348 7.7151 127.6287 56.0863 34.7289 173.1375 71 Q 3.8487 6.8133 120.5255 55.0276 31.2916 172.9507 72 G 4.0319 7.4446 112.4188 44.3405 0.0000 171.2365 73 Q 4.6376 8.2827 120.3305 53.4526 30.5933 174.8186 74 F 4.1391 8.9843 127.8076 58.7816 40.0211 173.1089 75 E 4.5540 8.1415 125.6279 57.4635 32.2744 174.9053 76 L 3.9561 6.2404 122.7400 54.1392 44.5694 176.2116 *78 L 4.3845 8.6649 115.2178 53.9499 43.4920 176.7765 79 I 4.4432 8.3487 117.4437 58.8249 39.7031 174.5282 80 G 4.3550 8.6682 110.3286 42.0033 0.0000 170.9740 81 P 4.4187 0.0000 0.0000 62.7238 31.9698 178.2366 82 Q 4.0044 8.9574 123.6719 58.6582 28.4241 175.2022 83 D 4.5564 8.3467 115.7130 56.3360 39.6934 180.3817 84 E 3.6396 7.4215 118.8853 56.4673 29.8178 176.7680 85 H 3.6562 7.2620 116.2281 54.2392 30.9421 172.9167 86 W 4.7658 7.0731 124.2286 55.1300 30.7878 175.7814 87 D 4.6592 8.9914 122.1621 56.0425 41.4928 176.6378 88 H 4.9499 8.2207 115.1823 54.0454 33.5585 172.5123 89 V 5.0586 8.4257 122.0754 61.2438 34.5309 173.9880 90 F 5.2458 8.6236 120.8292 56.1549 41.8756 172.9385 91 I 4.8437 9.3996 120.8860 59.7181 39.3477 174.4964 92 A 5.1005 8.8017 128.9893 50.4337 21.5820 174.8098 93 E 4.9459 9.3838 123.0205 54.6277 32.2894 174.3665 94 Y 5.2325 8.8766 123.5982 55.5493 41.4746 175.0167 95 P 4.5168 0.0000 0.0000 64.6988 32.3213 176.7871 96 S 4.6705 7.7222 112.7321 56.2399 66.5647 175.9672 97 V 3.6483 8.3496 123.3780 64.9928 30.9749 178.4939 98 A 4.0261 8.0144 120.8550 54.7949 18.0994 179.1271 99 A 4.0057 7.6608 117.9258 55.3274 18.5804 179.2392 100 F 3.6972 7.9837 117.6457 61.3419 39.2380 177.1088 101 V 3.9571 8.1145 117.7257 65.9663 31.0112 179.1781 102 E 3.8402 8.1301 117.7598 56.5882 29.3468 178.9779 *104 I 3.1763 7.7949 120.9885 60.7847 39.0718 176.8763 105 R 4.3204 7.2916 116.3017 56.4496 30.8653 176.7625 106 D 4.4256 7.6996 118.9366 53.9722 42.2164 174.5375 107 P 4.2535 0.0000 0.0000 65.7915 31.5701 178.4358 108 V 3.5992 8.3891 116.9643 66.1605 31.4781 177.3295 109 Y 3.8789 8.0617 118.6332 60.8657 38.5344 177.7549 110 R 4.1127 8.8584 120.8561 60.4147 30.4336 179.1519 111 E 4.1037 8.4488 117.4494 61.0144 29.3502 180.7061 112 A 4.3099 7.9931 121.5740 54.1590 18.3226 179.7911 113 V 3.0718 7.7109 120.2814 64.4722 31.3533 179.0394 114 K 3.5195 7.3291 124.3231 60.1782 31.7596 183.1217 115 H 4.3266 7.5979 116.1458 58.7683 28.7019 177.8188 116 R 3.7781 7.4913 122.3342 60.1478 29.5726 178.7774 117 Q 3.9150 8.2892 119.8703 60.0825 28.1975 179.9694 118 A 4.2732 7.6111 119.9627 53.3875 18.7465 178.7876 119 A 4.3191 7.8148 118.9890 52.2311 19.5112 177.1399 120 V 4.1788 7.4286 119.7511 62.9086 32.3113 176.1163 121 E 4.3010 8.8660 126.3167 59.5322 30.4384 173.2867 122 D 4.7537 7.8738 118.5272 54.1371 44.5249 175.3903 123 S 5.4788 9.1220 122.3396 57.2045 66.8992 172.5859 124 R 4.6201 8.6864 117.6329 55.1358 34.2353 174.9515 125 L 4.8000 8.3684 123.6607 53.9320 44.3704 174.8779 126 I 4.4814 8.7194 127.9706 59.4030 39.2829 175.4386 127 R 4.5780 8.5599 127.1536 55.3688 31.1122 175.3046 128 L 4.8153 9.3271 128.5521 53.4483 45.7802 176.9477 129 K 4.5398 8.6563 125.1163 52.2217 31.2508 173.2599 130 P 4.2939 0.0000 0.0000 62.2005 31.4864 175.4275 131 L 4.7658 7.9951 120.9892 52.9054 45.3667 176.7962 132 K 4.1524 8.3738 121.3579 53.6782 32.1072 173.3734 133 P 4.4468 0.0000 0.0000 62.2404 31.2273 176.1008 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 T 8.16 4.32 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 3 G 7.58 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 4 H 11.06 4.74 0.00 3.46 3.29 0.00 5.79 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.58 4.13 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.57 0.89 0.00 0.00 6 D 7.56 4.90 0.00 2.63 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.58 0.00 1.93 1.85 0.00 3.58 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.47 0.00 8 T 8.25 4.32 4.35 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 1.27 0.00 0.00 9 K 8.73 4.01 0.00 1.75 1.86 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.14 7.81 10 E 8.12 4.21 0.00 2.13 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 2.40 1.93 0.00 11 V 7.79 3.76 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 1.09 0.00 0.00 0.97 0.00 0.00 12 F 8.56 4.63 0.00 3.20 2.99 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 0.00 0.00 0.00 13 A 7.89 3.89 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 14 Q 7.60 3.97 0.00 2.32 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 15 F 8.09 4.22 0.00 3.19 3.39 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 16 R 7.98 3.90 0.00 1.75 1.90 0.00 3.05 0.00 0.00 2.69 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 17 A 8.43 4.06 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 18 N 8.04 4.26 0.00 2.70 2.73 0.00 0.00 7.11 8.50 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 19 D 7.93 4.36 0.00 2.83 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 R 7.37 3.87 0.00 1.83 1.97 0.00 3.04 0.00 0.00 3.06 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 21 E 8.61 4.10 0.00 1.94 1.90 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 2.28 2.30 0.00 22 G 7.95 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 0.00 0.00 0.00 23 P 0.00 5.21 0.00 2.15 2.13 0.00 3.74 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 1.99 1.99 0.00 24 I 8.97 4.94 1.91 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 1.57 1.08 0.88 0.00 0.00 25 H 8.82 5.75 0.00 3.22 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *27 L 8.23 4.42 0.00 1.77 1.53 1.02 0.45 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 28 N 8.68 5.13 0.00 1.44 1.76 0.00 0.00 6.34 7.53 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 29 L 9.16 4.44 0.00 0.47 0.13 0.28 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.73 4.77 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 0.71 0.00 0.00 0.93 0.00 0.00 31 R 9.36 4.94 0.00 1.84 2.07 0.00 2.60 0.00 0.00 3.01 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.57 0.00 32 L 8.82 4.75 0.00 1.58 1.61 0.85 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.84 4.37 0.00 1.97 2.06 0.00 2.88 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 34 P 0.00 4.36 0.00 2.11 2.13 0.00 3.57 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 35 R 7.81 4.86 0.00 1.57 1.72 0.00 3.28 0.00 0.00 3.23 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.17 0.00 36 A 8.45 4.42 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 37 A 8.16 4.76 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 38 Y 8.25 4.03 0.00 2.92 3.06 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 39 P 0.00 4.37 0.00 2.20 2.12 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 2.02 1.98 0.00 40 D 9.08 4.23 0.00 2.97 2.49 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 *43 E 9.31 4.21 0.00 2.04 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 2.13 1.88 0.00 44 T 7.43 4.28 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 1.19 0.00 0.00 45 T 8.09 4.73 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 46 G 8.67 4.15 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 0.00 0.00 0.00 47 A 8.18 4.16 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 48 E 8.26 3.94 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 2.24 2.20 0.00 49 A 8.11 4.42 1.65 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 0.00 0.00 50 Y 8.52 3.98 0.00 3.04 2.99 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 0.00 0.00 0.00 51 A 8.22 4.01 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 52 A 8.21 3.81 1.19 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 0.00 0.00 53 Y 7.91 4.31 0.00 2.72 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 54 G 7.97 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.96 3.93 0.00 1.90 1.87 0.00 3.26 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 56 D 8.00 4.80 0.00 2.75 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 57 S 9.08 4.30 0.00 3.62 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 58 G 7.65 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 59 P 0.00 4.37 0.00 2.17 2.13 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 60 V 7.94 3.66 2.37 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 1.18 0.00 0.00 1.07 0.00 0.00 *61 F 8.27 4.24 0.00 2.36 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 62 E 9.05 4.17 0.00 1.88 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 2.25 2.20 0.00 63 R 7.63 4.14 0.00 2.01 2.20 0.00 3.24 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 64 L 7.83 4.46 0.00 1.77 1.78 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 65 G 7.83 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 66 G 8.15 3.44 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 0.00 67 K 8.37 4.70 0.00 1.41 1.60 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.70 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 1.25 7.81 68 V 8.34 4.19 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 0.95 0.00 0.00 0.95 0.00 0.00 69 V 8.87 3.85 2.35 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 0.91 0.00 0.00 1.02 0.00 0.00 70 W 7.72 5.33 0.00 3.41 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 71 Q 6.81 3.85 0.00 1.92 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.56 0.00 0.00 0.00 0.00 0.00 1.93 2.06 0.00 72 G 7.44 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 Q 8.28 4.64 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.86 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 74 F 8.98 4.14 0.00 3.19 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 75 E 8.14 4.55 0.00 1.79 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 2.17 2.38 0.00 76 L 6.24 3.96 0.00 1.42 1.00 0.94 0.90 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 *78 L 8.66 4.38 0.00 1.64 1.72 0.93 0.88 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 79 I 8.35 4.44 1.90 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 1.36 0.81 0.94 0.00 0.00 80 G 8.67 4.35 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 0.00 81 P 0.00 4.42 0.00 2.23 2.21 0.00 3.78 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 82 Q 8.96 4.00 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.97 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 83 D 8.35 4.56 0.00 2.68 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 84 E 7.42 3.64 0.00 2.02 1.71 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 2.21 2.22 0.00 85 H 7.26 3.66 0.00 2.56 2.87 0.00 5.50 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 W 7.07 4.77 0.00 3.36 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 87 D 8.99 4.66 0.00 2.66 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 88 H 8.22 4.95 0.00 3.10 3.36 0.00 5.75 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 89 V 8.43 5.06 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 1.37 0.00 0.00 1.17 0.00 0.00 90 F 8.62 5.25 0.00 3.27 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 91 I 9.40 4.84 2.23 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.05 1.08 0.00 0.00 92 A 8.80 5.10 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 93 E 9.38 4.95 0.00 1.83 1.69 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 2.17 2.30 0.00 94 Y 8.88 5.23 0.00 3.14 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 95 P 0.00 4.52 0.00 2.23 2.23 0.00 4.04 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 96 S 7.72 4.67 0.00 4.06 3.99 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 0.00 0.00 0.00 97 V 8.35 3.65 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 0.76 0.00 0.00 0.29 0.00 0.00 98 A 8.01 4.03 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.66 4.01 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 0.00 0.00 100 F 7.98 3.70 0.00 2.87 3.38 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 0.00 101 V 8.11 3.96 2.16 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 0.96 0.00 0.00 1.07 0.00 0.00 102 E 8.13 3.84 0.00 2.27 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 2.43 2.52 0.00 *104 I 7.79 3.18 2.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.85 0.89 0.00 0.00 105 R 7.29 4.32 0.00 1.93 1.96 0.00 3.26 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 106 D 7.70 4.43 0.00 2.75 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 0.00 107 P 0.00 4.25 0.00 2.22 2.10 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 108 V 8.39 3.60 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 1.01 0.00 0.00 0.96 0.00 0.00 109 Y 8.06 3.88 0.00 3.15 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 0.00 110 R 8.86 4.11 0.00 2.08 2.06 0.00 3.24 0.00 0.00 3.29 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.81 0.00 111 E 8.45 4.10 0.00 1.98 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 2.24 2.19 0.00 112 A 7.99 4.31 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 0.00 113 V 7.71 3.07 1.90 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 0.75 0.00 0.00 0.70 0.00 0.00 114 K 7.33 3.52 0.00 1.82 1.80 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.38 7.81 115 H 7.60 4.33 0.00 3.29 3.58 0.00 5.59 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 0.00 116 R 7.49 3.78 0.00 0.67 1.22 0.00 2.96 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 117 Q 8.29 3.92 0.00 2.14 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 118 A 7.61 4.27 0.68 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 0.00 119 A 7.81 4.32 1.61 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 0.00 120 V 7.43 4.18 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 0.94 0.00 0.00 1.15 0.00 0.00 121 E 8.87 4.30 0.00 1.82 1.84 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 2.26 2.13 0.00 122 D 7.87 4.75 0.00 2.81 2.58 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 0.00 123 S 9.12 5.48 0.00 3.39 3.55 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 0.00 124 R 8.69 4.62 0.00 1.22 1.61 0.00 3.16 0.00 0.00 3.02 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.48 0.00 125 L 8.37 4.80 0.00 1.53 1.47 1.02 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.72 4.48 1.82 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.67 0.89 0.00 0.00 127 R 8.56 4.58 0.00 1.95 1.89 0.00 3.02 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 128 L 9.33 4.82 0.00 1.69 1.47 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.66 4.54 0.00 1.77 1.64 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.32 0.99 7.81 130 P 0.00 4.29 0.00 2.06 1.68 0.00 3.69 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 1.99 2.08 0.00 131 L 8.00 4.77 0.00 1.56 1.56 0.88 0.84 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 0.00 132 K 8.37 4.15 0.00 1.77 1.61 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.03 7.81 133 P 0.00 4.45 0.00 2.02 1.99 0.00 3.91 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 2.02 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.