NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.6698 8.4444 117.8501 55.4999 30.0932 172.6028 6 V 3.7274 8.3770 124.6727 62.2801 32.2574 173.6989 7 L 4.5277 9.3025 126.5336 56.0036 44.3332 176.7117 8 T 4.3160 7.7435 114.6721 62.3454 69.4291 173.4329 9 L 4.7418 8.3901 128.4697 53.8398 43.4948 175.0876 10 D 4.8405 9.0476 126.5105 53.2283 42.9986 175.7138 11 L 4.8238 8.5867 122.8358 53.2517 42.8540 175.4899 12 A 4.7251 9.0606 127.4769 49.7239 20.3439 174.6057 13 P 4.6167 0.0000 0.0000 63.4650 31.9593 176.7084 14 V 4.4535 8.1518 124.4133 61.3782 32.6832 175.6005 15 T 4.7721 9.0474 112.2593 58.3973 72.1973 172.9687 16 P 4.2258 0.0000 0.0000 65.6878 30.9929 178.9074 17 K 4.1262 7.9968 115.9263 59.4226 32.7900 177.9497 18 D 4.5617 8.3554 119.3491 54.9715 40.6914 177.5709 19 A 3.9504 7.9507 123.1274 55.0932 18.3443 178.0258 20 P 4.1996 0.0000 0.0000 65.6004 31.4044 178.9277 21 L 3.9556 7.7713 117.4627 57.6511 41.6627 179.0834 22 L 3.5641 7.9367 120.3872 57.9405 41.8325 178.2893 23 H 4.1350 8.4208 118.7752 59.3819 29.7299 177.1921 24 R 3.7991 7.8844 120.3342 59.2481 29.6659 178.4993 25 V 3.5063 7.3589 117.0298 66.0943 31.7755 177.6973 26 F 4.8972 7.9767 117.3975 61.2530 38.5738 177.5070 27 H 4.1385 8.4293 114.5582 58.1324 28.2280 176.7991 28 L 4.5447 8.0790 119.7967 54.4043 41.7764 177.0883 29 S 4.9876 8.1863 115.2521 56.9695 63.6500 174.1971 30 P 4.4751 0.0000 0.0000 66.1731 31.3933 178.0004 31 S 4.2037 8.6908 115.1895 61.2973 62.6374 175.9176 32 Y 4.0477 7.7701 121.7025 60.8035 38.3485 178.1525 33 F 3.6510 8.0047 116.5890 60.1500 39.3210 177.0520 34 A 4.1040 8.0506 120.5364 55.0767 17.9889 179.2933 35 L 3.8892 7.6298 117.8791 58.0300 42.2325 178.4317 36 I 4.0665 7.0476 109.4289 59.9137 39.2229 174.5540 37 G 3.4198 7.4022 110.2870 45.9128 0.0000 172.8505 *39 E 4.0789 7.7164 120.3391 55.9056 31.1749 176.1615 40 L 3.3267 7.9835 120.4668 53.8192 42.2047 175.8343 41 P 4.2193 0.0000 0.0000 62.5890 32.0921 177.1670 42 T 4.2996 8.4572 112.8901 61.1217 71.0089 175.7848 43 L 3.8222 8.2110 122.8974 58.2227 42.0777 178.9890 44 E 3.9261 8.0488 118.1799 59.3514 29.4521 178.6442 45 D 4.3635 8.1443 118.9203 57.5426 40.8545 179.2340 46 V 3.6333 7.7649 118.4974 65.8221 31.5434 178.0678 47 V 3.5444 7.9297 118.1222 66.0860 31.3784 177.8046 48 R 4.0569 7.9733 118.2215 59.7783 30.0205 178.1665 49 D 4.3866 8.2759 118.5283 57.4306 40.8233 178.8317 50 L 4.0913 8.3668 119.8689 57.7584 41.3289 179.5971 51 Q 4.0300 8.0469 117.5144 59.0881 28.8459 178.5037 52 T 4.0414 7.9312 117.0810 66.6006 68.6754 176.7130 53 L 4.0268 7.9085 121.1969 58.3793 40.3415 178.5515 54 E 3.9306 8.0520 119.8264 59.1618 29.6003 178.4257 55 V 4.2665 7.1440 108.3032 60.4133 32.3836 175.3001 56 D 4.7297 7.6887 120.4878 51.7312 41.0465 175.1498 57 P 4.4040 0.0000 0.0000 64.9486 31.5778 177.1920 58 R 4.4746 8.3664 117.3561 56.1318 30.7009 175.9666 59 R 4.5753 7.7070 117.8287 56.0775 31.1575 176.8629 60 R 4.4246 9.4172 121.9635 54.2223 32.8237 173.8017 61 A 4.8802 7.7316 124.8407 49.7689 22.8144 174.5497 62 F 5.3231 8.7179 119.2070 55.6240 43.7929 174.3218 63 L 4.6931 8.9420 123.4061 54.7605 43.0969 175.8503 64 L 5.0791 8.5573 123.4621 53.3477 43.5887 175.4563 65 F 5.2152 9.2359 122.9718 55.5932 42.5559 174.6630 66 L 4.7426 8.9529 123.4855 52.4506 43.2383 177.8963 67 G 3.7883 8.8245 116.4904 47.1882 0.0000 173.9208 68 Q 4.2159 8.9849 123.5282 55.6001 29.1415 174.4415 69 E 4.5329 8.2722 121.4673 53.6748 30.4892 173.0485 70 P 4.0507 0.0000 0.0000 62.5716 31.9291 176.2385 71 V 4.2033 9.0529 115.2812 59.6626 33.1059 175.3943 72 G 3.8996 7.0630 106.0897 47.2130 0.0000 171.0370 73 Y 5.4112 7.9553 119.3819 56.3269 42.8135 174.0732 74 L 4.8973 8.2617 127.3244 53.2407 45.9782 174.4792 75 D 4.8836 8.9966 125.0504 52.5318 44.4734 173.9106 76 A 5.2241 8.9981 126.5869 50.0652 23.7042 174.2629 77 K 5.0158 9.0893 120.2245 54.5298 34.9245 175.5960 78 L 4.4602 8.9979 128.5686 55.6326 42.3375 177.6712 79 G 4.0034 9.8576 111.1233 45.3235 0.0000 172.4785 80 Y 4.5756 7.6162 119.1796 54.7426 41.5071 173.6699 81 P 2.9700 0.0000 0.0000 63.7217 32.0893 175.8746 82 E 4.6142 7.5465 117.2050 53.6808 32.4632 176.2074 83 A 3.9668 8.6503 123.5780 55.6712 18.4605 179.4429 84 E 4.2530 8.1548 112.7270 57.4269 30.3247 175.4364 85 D 5.4158 8.1076 119.4901 52.6963 44.4253 174.6625 86 A 5.3845 8.7918 118.9758 51.4449 23.3528 175.5869 87 T 5.3343 9.0937 115.0790 61.9963 73.3579 173.0373 88 L 4.7192 9.4229 129.6049 54.4997 42.6654 176.9325 89 S 4.6347 8.7241 121.4717 59.4872 64.7251 174.4988 90 L 4.4754 7.5349 122.0060 53.8165 45.4379 173.4542 91 L 5.0283 8.6310 127.9531 53.1782 44.7133 174.9939 92 L 4.5657 8.9048 128.3538 53.2373 45.1704 174.8181 93 I 4.7789 8.0729 126.6639 59.1107 39.2174 175.5318 94 R 4.0734 8.7643 127.5668 56.0246 30.4239 177.1676 95 E 4.0431 8.7363 125.4870 59.2601 29.8248 178.2417 96 D 4.5382 8.1140 115.7699 55.0981 39.6429 176.0981 97 H 4.7872 8.3362 116.4126 55.6072 29.4998 174.1995 98 Q 4.0701 7.6569 118.9832 56.8500 29.0213 176.0767 99 G 3.9045 8.7025 106.6628 46.6912 0.0000 174.3113 100 R 4.4499 8.0404 114.8524 55.3770 31.2221 176.7291 101 G 4.0070 8.2624 106.0116 46.0012 0.0000 175.8469 102 L 4.1557 7.7858 120.8354 57.2657 41.5617 179.4291 103 G 3.3970 7.9331 105.5163 47.7599 0.0000 175.6071 104 R 4.0532 8.0915 121.1822 59.0876 30.1033 178.1628 105 Q 3.9739 8.1976 119.2279 59.1264 29.0723 178.1191 106 A 3.9704 8.2616 121.9815 55.0442 18.3382 179.4024 107 L 4.1310 8.0690 118.9371 58.4612 42.2306 179.1102 108 E 4.0518 8.4607 118.6106 59.4042 29.2015 179.4977 109 R 3.9607 8.1839 117.7573 59.0025 30.3638 178.6664 110 F 4.2890 8.4418 120.3512 61.3015 39.5009 177.2518 111 A 3.7032 8.4569 120.5309 54.8367 17.8821 179.2305 112 A 4.0423 7.8775 118.9087 55.0916 18.4460 179.1547 113 G 3.8423 7.6823 101.2956 45.1842 0.0000 173.9978 114 L 4.5427 7.3556 120.8054 54.0678 42.0656 175.6297 115 D 4.4403 8.0079 118.5382 56.0512 41.2399 176.4215 116 G 4.0416 9.0407 114.2081 45.2375 0.0000 173.5063 117 V 4.2661 7.6013 119.5550 61.8835 33.0718 175.3706 118 R 4.2683 8.9343 127.7092 58.4904 30.8876 175.9880 119 R 4.8809 7.9622 116.6849 54.0687 34.9592 173.6378 120 L 5.1340 8.4984 123.5740 53.8679 44.3816 175.3214 121 Y 5.3165 9.4959 124.4724 57.0649 40.7241 174.5735 122 A 5.0994 9.3656 122.4706 50.1524 22.6377 175.3447 123 V 3.9666 7.7894 121.4802 59.4776 33.2901 175.2232 124 V 4.2261 8.3309 125.8799 61.1955 33.6640 173.6960 125 Y 4.7171 8.6865 125.1863 57.4403 39.6079 177.2166 126 G 3.8813 9.8500 114.6987 44.9345 0.0000 173.7452 127 H 4.5416 8.5045 116.5159 55.3911 28.3287 174.5466 128 N 5.0334 7.7358 123.4382 50.2303 39.1843 172.8539 129 P 4.3166 0.0000 0.0000 65.3260 31.8621 178.4195 130 K 3.8572 8.1517 118.9339 59.4962 32.0724 178.4143 131 A 4.0003 8.0761 120.8444 55.0333 18.3407 179.7142 132 K 3.7277 8.0983 116.6473 59.5368 32.1395 179.3757 133 A 4.0133 8.5962 121.3456 54.9737 18.1371 179.3437 134 F 3.9214 8.1238 119.0716 61.6079 39.4931 177.3931 135 F 3.7350 8.0680 117.1972 60.4836 38.5719 177.7061 136 Q 4.6953 8.4052 118.7928 58.5525 28.3084 178.7658 137 A 3.9935 7.7606 120.6730 54.6955 18.4247 178.6754 138 Q 4.2820 7.2379 114.1454 55.8616 29.0557 176.6113 139 G 3.9452 8.0908 108.7611 44.8648 0.0000 173.5359 140 F 4.6809 8.7856 120.2104 56.7723 39.9267 175.2742 141 R 5.1187 8.8402 121.2618 54.8583 31.8102 175.3343 142 Y 3.9068 8.8783 122.3213 58.4695 38.9166 174.8657 143 V 4.0162 7.7446 126.4534 63.4845 33.0098 175.5163 144 K 4.0203 6.6460 116.5910 55.5813 36.3470 173.2525 145 D 4.9835 8.8888 121.5622 51.5960 41.0974 177.5117 146 G 3.9794 8.5294 111.8876 44.4001 0.0000 173.3840 147 G 3.9131 7.7210 108.9939 44.0650 0.0000 170.7826 148 P 4.3462 0.0000 0.0000 65.4529 30.9699 177.8317 149 T 4.3705 7.8725 106.5907 62.1255 69.8617 173.8953 150 L 4.7423 7.6186 120.9196 53.2013 45.8754 175.7102 151 T 4.9169 8.5240 117.8517 61.7354 72.9807 172.8224 152 W 5.1189 9.2324 125.7314 55.3013 31.8615 174.7411 153 Y 5.5466 9.1944 120.3142 56.6100 42.4827 174.5702 154 V 4.8917 8.9787 119.4889 60.4311 35.5652 173.6865 155 R 4.6617 8.5741 122.9461 53.5913 32.8791 172.7518 156 P 4.6119 0.0000 0.0000 62.8307 32.4680 176.2766 157 L 4.3081 8.0284 120.2871 54.9315 41.4240 176.4040 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 5 H 8.44 4.67 0.00 3.17 3.35 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.38 3.73 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 0.79 0.00 0.00 0.95 0.00 0.00 7 L 9.30 4.53 0.00 1.67 1.69 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 8 T 7.74 4.32 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 1.22 0.00 0.00 9 L 8.39 4.74 0.00 1.64 1.57 0.97 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 10 D 9.05 4.84 0.00 2.76 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 11 L 8.59 4.82 0.00 1.32 1.14 0.85 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 12 A 9.06 4.73 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 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.62 0.00 1.97 1.95 0.00 3.80 0.00 0.00 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.32 0.00 14 V 8.15 4.45 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 0.79 0.00 0.00 1.04 0.00 0.00 15 T 9.05 4.77 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 16 P 0.00 4.23 0.00 2.18 2.16 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.16 0.00 17 K 8.00 4.13 0.00 1.91 1.95 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.55 7.81 18 D 8.36 4.56 0.00 2.86 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 19 A 7.95 3.95 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 20 P 0.00 4.20 0.00 2.16 2.09 0.00 3.66 0.00 0.00 3.74 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 21 L 7.77 3.96 0.00 1.80 1.66 1.11 0.59 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 22 L 7.94 3.56 0.00 1.46 1.39 -0.35 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.42 4.13 0.00 3.23 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 R 7.88 3.80 0.00 1.92 2.01 0.00 3.15 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 25 V 7.36 3.51 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 0.79 0.00 0.00 0.80 0.00 0.00 26 F 7.98 4.90 0.00 3.19 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 27 H 8.43 4.14 0.00 3.09 3.34 0.00 5.84 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.08 4.54 0.00 1.71 1.70 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.19 4.99 0.00 4.26 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 30 P 0.00 4.48 0.00 2.30 2.34 0.00 3.96 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 31 S 8.69 4.20 0.00 4.01 3.98 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 32 Y 7.77 4.05 0.00 2.95 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 33 F 8.00 3.65 0.00 3.01 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 34 A 8.05 4.10 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 35 L 7.63 3.89 0.00 1.75 1.75 0.94 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 36 I 7.05 4.07 1.66 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.51 0.52 0.00 0.00 37 G 7.40 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 0.00 0.00 0.00 *39 E 7.72 4.08 0.00 1.92 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 2.18 2.25 0.00 40 L 7.98 3.33 0.00 1.34 0.93 0.73 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.22 0.00 2.02 1.82 0.00 2.82 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.44 0.00 42 T 8.46 4.30 4.40 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 1.19 0.00 0.00 43 L 8.21 3.82 0.00 1.42 1.57 0.81 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.05 3.93 0.00 2.07 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 2.43 0.00 45 D 8.14 4.36 0.00 2.89 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 46 V 7.76 3.63 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 1.07 0.00 0.00 1.18 0.00 0.00 47 V 7.93 3.54 2.21 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 0.93 0.00 0.00 0.98 0.00 0.00 48 R 7.97 4.06 0.00 2.00 2.09 0.00 3.14 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 1.63 1.68 0.00 49 D 8.28 4.39 0.00 2.90 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 50 L 8.37 4.09 0.00 1.80 1.72 0.94 0.93 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 51 Q 8.05 4.03 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.95 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 52 T 7.93 4.04 4.40 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 1.22 0.00 0.00 53 L 7.91 4.03 0.00 1.97 1.95 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.05 3.93 0.00 2.13 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 2.33 2.37 0.00 55 V 7.14 4.27 2.09 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 0.83 0.00 0.00 0.99 0.00 0.00 56 D 7.69 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 57 P 0.00 4.40 0.00 2.24 2.19 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 58 R 8.37 4.47 0.00 2.08 2.23 0.00 3.29 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 59 R 7.71 4.58 0.00 1.85 1.84 0.00 3.44 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.77 0.00 60 R 9.42 4.42 0.00 1.86 2.14 0.00 3.46 0.00 0.00 3.23 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.99 0.00 61 A 7.73 4.88 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 0.00 0.00 0.00 0.00 0.00 0.00 62 F 8.72 5.32 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 63 L 8.94 4.69 0.00 1.78 1.23 0.94 0.40 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 64 L 8.56 5.08 0.00 1.57 1.54 0.88 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 65 F 9.24 5.22 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 66 L 8.95 4.74 0.00 1.59 1.63 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.82 3.79 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 0.00 0.00 0.00 68 Q 8.98 4.22 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.72 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 69 E 8.27 4.53 0.00 2.11 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 2.25 2.25 0.00 70 P 0.00 4.05 0.00 1.89 1.40 0.00 3.76 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.94 0.00 71 V 9.05 4.20 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 0.49 0.00 0.00 0.89 0.00 0.00 72 G 7.06 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 73 Y 7.96 5.41 0.00 2.86 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 74 L 8.26 4.90 0.00 1.57 1.32 0.77 0.16 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 75 D 9.00 4.88 0.00 2.29 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 0.00 0.00 0.00 0.00 76 A 9.00 5.22 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 77 K 9.09 5.02 0.00 1.88 1.75 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.37 1.57 7.81 78 L 9.00 4.46 0.00 1.66 1.68 1.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 79 G 9.86 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 0.00 0.00 0.00 80 Y 7.62 4.58 0.00 2.95 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 81 P 0.00 2.97 0.00 1.55 1.10 0.00 3.47 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.73 0.00 82 E 7.55 4.61 0.00 2.08 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 2.07 2.11 0.00 83 A 8.65 3.97 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 84 E 8.15 4.25 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 2.38 2.39 0.00 85 D 8.11 5.42 0.00 2.69 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 86 A 8.79 5.38 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.09 5.33 4.57 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 1.50 0.00 0.00 88 L 9.42 4.72 0.00 1.90 1.68 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.72 4.63 0.00 4.03 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 90 L 7.53 4.48 0.00 1.82 1.58 0.76 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.63 5.03 0.00 1.67 1.58 0.85 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 92 L 8.90 4.57 0.00 1.58 1.51 0.68 1.10 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 93 I 8.07 4.78 1.75 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.87 0.94 0.00 0.00 94 R 8.76 4.07 0.00 1.92 1.84 0.00 3.12 0.00 0.00 3.28 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 95 E 8.74 4.04 0.00 2.22 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 2.32 2.26 0.00 96 D 8.11 4.54 0.00 2.77 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 97 H 8.34 4.79 0.00 3.16 3.31 0.00 5.85 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 7.66 4.07 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.41 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 99 G 8.70 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 0.00 100 R 8.04 4.45 0.00 1.78 1.90 0.00 3.27 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.86 0.00 101 G 8.26 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 0.00 0.00 0.00 102 L 7.79 4.16 0.00 1.67 1.70 0.97 0.90 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 0.00 103 G 7.93 3.40 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 0.00 104 R 8.09 4.05 0.00 1.98 2.13 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 1.73 1.79 0.00 105 Q 8.20 3.97 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 106 A 8.26 3.97 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 0.00 107 L 8.07 4.13 0.00 2.13 1.97 1.26 1.25 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 0.00 108 E 8.46 4.05 0.00 2.06 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 2.57 2.51 0.00 109 R 8.18 3.96 0.00 1.81 1.97 0.00 3.25 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 110 F 8.44 4.29 0.00 3.03 3.29 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 0.00 111 A 8.46 3.70 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 0.00 112 A 7.88 4.04 1.38 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 0.00 113 G 7.68 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 0.00 114 L 7.36 4.54 0.00 1.69 1.55 0.56 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 115 D 8.01 4.44 0.00 2.58 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 0.00 116 G 9.04 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 0.00 117 V 7.60 4.27 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 0.81 0.00 0.00 0.95 0.00 0.00 118 R 8.93 4.27 0.00 1.92 2.22 0.00 3.09 0.00 0.00 3.17 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 119 R 7.96 4.88 0.00 1.63 1.49 0.00 3.21 0.00 0.00 3.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 120 L 8.50 5.13 0.00 1.82 1.53 1.28 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 121 Y 9.50 5.32 0.00 3.21 3.28 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 0.00 122 A 9.37 5.10 0.32 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 0.00 123 V 7.79 3.97 0.67 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 0.29 0.00 0.00 -0.42 0.00 0.00 124 V 8.33 4.23 2.14 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 1.09 0.00 0.00 0.84 0.00 0.00 125 Y 8.69 4.72 0.00 2.90 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 0.00 126 G 9.85 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 0.00 127 H 8.50 4.54 0.00 3.11 3.28 0.00 5.87 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 N 7.74 5.03 0.00 2.77 2.70 0.00 0.00 6.81 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 0.00 129 P 0.00 4.32 0.00 2.29 2.25 0.00 3.74 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.93 0.00 130 K 8.15 3.86 0.00 1.84 1.86 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.49 7.81 131 A 8.08 4.00 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 0.00 132 K 8.10 3.73 0.00 2.07 1.97 0.00 1.77 0.00 0.00 1.88 0.00 0.00 3.16 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.64 1.78 7.81 133 A 8.60 4.01 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 0.00 134 F 8.12 3.92 0.00 2.97 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 0.00 135 F 8.07 3.74 0.00 2.70 2.61 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 0.00 136 Q 8.41 4.70 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 137 A 7.76 3.99 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 0.00 138 Q 7.24 4.28 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.57 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 139 G 8.09 3.95 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 0.00 0.00 0.00 140 F 8.79 4.68 0.00 3.11 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 0.00 141 R 8.84 5.12 0.00 2.02 2.13 0.00 2.83 0.00 0.00 3.11 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 142 Y 8.88 3.91 0.00 2.97 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 0.00 143 V 7.74 4.02 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 0.77 0.00 0.00 1.05 0.00 0.00 144 K 6.65 4.02 0.00 1.52 1.52 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.82 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.26 1.17 7.81 145 D 8.89 4.98 0.00 2.92 2.83 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 0.00 0.00 0.00 146 G 8.53 3.98 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 0.00 0.00 0.00 147 G 7.72 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 0.00 148 P 0.00 4.35 0.00 2.08 2.16 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 149 T 7.87 4.37 4.32 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 1.25 0.00 0.00 150 L 7.62 4.74 0.00 1.83 1.40 1.06 0.02 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 0.00 151 T 8.52 4.92 4.40 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 1.22 0.00 0.00 152 W 9.23 5.12 0.00 3.20 3.14 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 0.00 153 Y 9.19 5.55 0.00 2.88 3.03 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 0.00 154 V 8.98 4.89 1.51 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 0.58 0.00 0.00 0.06 0.00 0.00 155 R 8.57 4.66 0.00 0.67 0.75 0.00 2.87 0.00 0.00 2.70 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.30 0.00 156 P 0.00 4.61 0.00 2.03 1.94 0.00 3.61 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.91 0.00 157 L 8.03 4.31 0.00 1.53 1.54 0.86 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.