NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.6210 8.4249 118.1152 52.8486 40.6632 174.1776 3 H 4.6167 7.7775 114.6770 52.0521 29.2337 171.3368 4 T 4.3407 8.1757 115.6746 60.0263 71.7428 176.3607 5 A 3.7543 8.4101 125.5569 55.3271 18.6147 179.6697 6 D 4.3652 8.0974 114.0697 56.7897 41.4015 176.3599 7 N 4.7351 7.7654 113.7084 53.0662 39.2522 174.5942 8 C 4.4601 7.7943 120.5841 58.4264 32.7778 174.1357 9 I 3.8230 8.3366 122.5990 64.1623 37.2084 178.2866 10 F 4.5619 8.1230 119.2091 60.6553 38.7379 177.2205 11 C 4.2376 8.2948 116.0054 62.7748 27.9006 176.1116 12 K 3.9835 8.1391 120.1847 59.3931 31.5942 179.4915 13 I 3.8529 7.7476 121.3965 63.9153 36.7929 178.3806 14 I 3.6804 7.6860 119.5484 64.4300 37.1029 177.2987 15 D 4.5984 8.2138 115.7528 54.2746 41.2170 176.8556 16 G 3.9014 7.8477 106.2523 46.7973 0.0000 174.7029 17 Q 4.2100 8.1256 118.7084 57.0365 28.9092 176.3086 18 I 4.6278 7.2618 118.3034 59.1211 40.8055 174.7375 19 L 4.2162 8.3106 124.2101 54.5910 42.3973 175.8194 20 C 4.6065 7.9837 114.6604 56.8798 32.8414 174.0443 21 S 4.6188 8.3258 116.6987 56.8714 63.1773 173.0657 22 K 4.6375 8.5185 126.4832 56.3988 32.1899 176.3163 23 V 4.3249 8.7233 126.9870 64.4910 33.4458 174.9993 24 Y 4.7474 7.7586 117.8604 56.9565 41.9721 172.6928 25 E 5.0546 7.4364 124.2877 55.3773 31.6527 173.9122 26 D 4.5314 8.5453 124.1931 52.1996 42.2461 175.1535 27 E 4.0372 8.8098 118.2627 59.0510 29.8834 177.7343 28 H 4.8612 8.9711 115.2603 56.0847 30.9164 174.2315 29 V 5.1264 7.6945 108.9746 59.5907 36.5541 174.1623 30 L 5.3512 9.1117 123.5422 53.3535 45.7153 175.0059 31 A 5.7042 9.4193 126.6965 49.1703 22.3414 174.9187 32 F 5.2524 7.6354 115.2222 55.2801 41.6332 173.5383 33 L 4.5102 8.5697 120.1947 54.6825 42.4820 176.6983 34 D 4.5049 8.6022 123.0955 53.4494 41.5020 177.4226 35 I 3.9113 8.4548 120.3877 63.4144 37.8433 177.4295 36 S 4.1258 8.6850 117.6414 60.0196 63.2797 174.3802 37 Q 3.3168 7.9305 117.2794 56.6589 26.2311 174.2054 38 V 3.8078 7.7311 113.0722 64.0823 32.7150 176.9176 39 T 4.6309 7.4175 107.4002 59.0947 71.8243 172.7648 40 K 4.1018 8.4227 124.1350 58.0660 32.2830 177.0400 41 G 3.8330 9.4708 115.5640 44.7571 0.0000 172.3905 42 H 4.3015 8.0498 120.5158 57.3437 30.6981 174.1380 43 T 5.0556 9.0420 121.7182 61.6931 72.8059 172.7787 44 L 4.9235 8.4853 124.5076 52.8560 44.6642 175.5246 45 V 4.8261 8.5099 123.4129 61.0084 33.9327 174.3355 46 I 5.2489 8.8487 121.4602 58.3117 41.0373 173.1366 47 P 4.9585 0.0000 0.0000 62.7560 31.7372 176.5618 48 K 4.2708 9.0196 121.7126 59.1873 32.6601 178.0449 49 V 3.8915 7.7691 119.3693 61.9745 32.2556 174.7510 50 H 4.2286 8.8633 126.8145 56.0095 29.8664 174.4305 51 K 4.5967 8.0197 126.0975 54.3796 35.2394 177.3647 52 Q 4.2924 9.1572 124.4142 58.6120 29.6212 174.7570 53 D 4.7406 7.6728 114.9127 52.5614 42.0885 175.2868 54 I 3.4166 9.0559 119.0265 64.3393 37.7986 178.0895 55 F 4.3781 7.5145 117.2269 59.6625 38.8157 175.9044 56 A 4.4452 7.8968 121.5403 52.3523 19.1662 177.5250 57 L 4.0682 7.3582 116.4614 54.4287 42.3773 177.8046 58 T 4.3351 8.0772 113.1405 60.3556 71.4416 174.2104 59 P 4.1867 0.0000 0.0000 65.6397 31.2910 178.9417 60 E 3.8331 7.9963 116.9977 59.3952 29.4311 179.3038 61 I 3.7294 7.6879 119.5274 64.2139 37.1836 178.2492 62 A 3.8505 7.9980 121.6421 55.2668 18.1699 179.8099 63 S 4.0932 8.2441 113.7925 62.2140 62.7046 176.7343 64 H 4.3158 7.9633 117.4674 58.8134 28.6458 177.7931 65 I 3.9551 8.0535 121.7130 64.5754 37.1067 178.3235 66 F 4.3922 8.4996 121.3828 60.7395 39.0070 177.3132 67 S 4.1957 8.2141 113.3236 60.7580 63.0772 175.8915 68 V 3.8748 7.2354 113.0899 61.5120 31.7500 178.0990 69 V 3.3586 7.3167 119.2416 65.4234 31.2921 176.0216 70 P 4.0550 0.0000 0.0000 65.2812 31.2001 178.7227 71 K 3.9684 7.7083 117.2225 59.8257 32.6181 179.3147 72 I 3.6152 7.4914 120.5878 63.9455 36.9484 178.1342 73 A 3.7109 8.1363 122.0384 55.2227 18.0757 179.4445 74 N 4.1359 8.3751 115.1123 56.2055 38.6322 177.5661 75 A 3.9546 7.8765 122.1632 55.1901 18.4464 179.7706 76 I 3.8647 7.8333 118.3665 64.3330 37.2096 178.4689 77 K 3.9292 8.4265 120.6256 59.7060 31.8322 178.6646 78 A 3.9926 8.1669 119.8163 54.9311 18.3047 178.7877 79 E 4.0272 7.8626 115.4628 57.5137 29.9918 177.7460 80 F 4.9822 8.0781 114.3891 55.9018 41.3937 174.6774 81 N 4.2516 8.2982 116.1620 53.6325 36.4561 172.3241 82 P 4.3312 0.0000 0.0000 62.8493 32.5403 177.2296 83 V 3.9336 8.1470 112.3637 62.9437 32.3880 175.7700 84 G 4.1068 7.4901 106.2228 46.3874 0.0000 171.6540 85 F 5.0400 8.4187 119.4971 57.2359 42.1637 173.1588 86 N 5.2313 8.8891 122.5609 51.4070 42.5015 173.1506 87 L 5.2506 8.4822 120.6345 53.0401 44.6391 175.7257 88 L 4.7714 8.5809 123.8005 53.4473 45.9860 174.3578 89 N 5.0919 8.6858 122.9775 51.9034 41.9172 172.8446 90 N 4.9032 8.6588 123.1228 51.4444 40.6419 173.8234 91 N 4.9974 8.8395 119.9049 53.1001 41.6066 174.8093 92 G 4.1722 9.8487 111.2149 45.6433 0.0000 173.5421 93 E 4.3193 9.1414 122.3568 58.5432 29.6961 178.8246 94 K 4.2349 8.1783 114.8064 57.8117 32.3011 177.0671 95 A 4.5803 8.1486 120.6605 51.8154 19.2707 177.0845 96 G 3.9561 8.0993 105.4048 45.9272 0.0000 174.0079 97 Q 4.0165 8.3407 122.4304 55.7252 29.5248 176.4378 98 T 4.2965 8.2145 113.7520 61.2141 71.0104 174.0748 99 V 4.0341 7.2289 121.1804 60.8786 33.6491 175.9339 100 F 4.4151 8.4335 129.7437 56.6538 38.2177 175.3831 101 H 5.1283 7.5414 118.6687 53.9949 33.0205 172.1030 102 F 4.1891 9.3782 130.2266 59.3929 39.5504 174.0298 103 H 5.0100 7.5472 119.8222 54.1511 31.6093 172.3716 104 L 4.6048 8.5382 120.8391 53.6057 44.0724 175.1179 105 H 4.9296 9.0930 121.2308 54.7751 30.6562 174.1734 106 L 4.6684 9.3312 124.1608 53.2607 43.8093 175.8219 107 I 4.3165 7.9409 126.8240 58.2731 39.1939 173.8001 108 P 4.0323 0.0000 0.0000 62.3675 32.3701 175.8964 109 R 4.6713 8.3726 120.0793 54.8361 32.7659 176.1025 110 Y 4.5293 10.3617 118.8537 57.2298 40.9959 176.7377 111 G 3.7748 7.6528 106.5896 44.6016 0.0000 173.9795 112 E 3.9440 8.7461 120.1818 59.5743 29.5809 177.4552 113 N 4.8746 7.9264 113.4473 53.1547 38.8761 174.9064 114 D 4.5942 7.7195 118.0173 54.4104 41.2952 176.9238 115 G 3.9053 8.2211 110.1755 45.9179 0.0000 173.5254 116 F 4.9031 7.7148 121.3976 56.2660 42.2316 174.1467 117 G 3.5977 6.9718 112.7151 44.2836 0.0000 172.1128 118 A 4.3672 7.9134 125.1643 50.0687 20.5010 176.7947 119 V 4.0451 8.2694 123.2037 61.4669 32.3648 175.0160 120 W 4.9369 8.7096 135.0000 55.3736 33.1339 173.9706 121 K 4.4022 8.0039 125.8986 54.3301 34.2915 175.5876 122 S 4.2057 8.5063 120.9312 58.7563 63.1672 172.9298 123 H 4.9150 8.4032 122.0384 55.3955 30.2816 175.6746 124 Q 4.0544 8.3821 123.0469 59.6927 28.7984 177.9490 125 N 4.6954 8.0882 110.7362 54.1121 38.5224 175.4332 126 E 4.1354 8.1456 117.7514 57.1203 29.9324 176.1055 127 Y 5.0564 7.7510 117.0512 56.3454 42.3630 173.2489 128 T 4.6142 8.8915 117.8216 61.6593 67.7358 176.3138 *130 E 4.2740 9.0990 118.8800 56.4161 31.4463 177.2442 131 N 4.3843 8.2492 116.0443 56.4492 38.5444 177.5044 132 L 3.9532 7.9613 120.2429 57.8389 41.7060 179.5362 133 Q 4.0243 8.0523 117.5144 59.1740 28.7285 178.6014 134 N 4.4148 8.2605 117.4651 56.1282 38.5601 177.6728 135 I 3.7027 8.0109 121.1820 64.2521 37.1372 178.3280 136 A 3.9723 8.3873 122.2641 55.2560 18.1861 179.9158 137 S 4.0989 8.2313 112.8077 61.7081 62.8662 176.7517 138 T 3.8540 7.7924 118.6496 66.4992 68.5071 176.3691 139 I 3.8448 7.8053 121.3751 64.2433 37.2988 178.1092 140 A 4.0016 8.2402 121.9835 55.5706 18.0267 179.5297 141 N 4.3928 8.3587 113.2077 55.6920 38.6300 176.7301 142 S 4.5002 7.7591 113.0469 57.9589 62.9003 174.2160 143 V 3.6396 7.0748 121.5412 63.1005 31.6461 175.8131 144 K 4.1769 8.6159 125.5505 56.7790 31.9998 176.7583 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 N 8.42 4.62 0.00 2.57 2.57 0.00 0.00 6.72 7.27 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 3 H 7.78 4.62 0.00 3.25 3.32 0.00 5.69 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.18 4.34 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 1.21 0.00 0.00 5 A 8.41 3.75 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 6 D 8.10 4.37 0.00 2.63 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 7 N 7.77 4.74 0.00 2.73 2.84 0.00 0.00 6.93 8.93 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 8 C 7.79 4.46 0.00 3.22 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 9 I 8.34 3.82 1.92 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 1.44 0.49 0.91 0.00 0.00 10 F 8.12 4.56 0.00 2.97 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 11 C 8.29 4.24 0.00 3.29 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 12 K 8.14 3.98 0.00 2.01 1.87 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.68 7.81 13 I 7.75 3.85 1.81 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.49 0.36 0.00 0.00 14 I 7.69 3.68 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.58 0.94 0.00 0.00 15 D 8.21 4.60 0.00 2.76 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 16 G 7.85 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 17 Q 8.13 4.21 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.53 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 18 I 7.26 4.63 1.83 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 1.41 1.09 0.87 0.00 0.00 19 L 8.31 4.22 0.00 1.58 1.55 0.89 0.83 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 20 C 7.98 4.61 0.00 2.54 2.32 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 21 S 8.33 4.62 0.00 3.85 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 22 K 8.52 4.64 0.00 1.78 1.73 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 23 V 8.72 4.32 2.25 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 0.86 0.00 0.00 1.00 0.00 0.00 24 Y 7.76 4.75 0.00 3.08 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 25 E 7.44 5.05 0.00 1.89 1.57 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 2.09 2.26 0.00 26 D 8.55 4.53 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 27 E 8.81 4.04 0.00 1.84 1.75 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 2.05 2.23 0.00 28 H 8.97 4.86 0.00 3.16 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.69 5.13 2.32 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 0.84 0.00 0.00 1.21 0.00 0.00 30 L 9.11 5.35 0.00 1.78 1.57 1.04 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 31 A 9.42 5.70 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 32 F 7.64 5.25 0.00 3.18 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 33 L 8.57 4.51 0.00 1.63 1.65 0.96 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.60 4.50 0.00 2.32 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 0.00 0.00 0.00 35 I 8.45 3.91 1.90 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 1.49 0.75 0.96 0.00 0.00 36 S 8.69 4.13 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 37 Q 7.93 3.32 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.95 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 38 V 7.73 3.81 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 0.81 0.00 0.00 0.72 0.00 0.00 39 T 7.42 4.63 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 40 K 8.42 4.10 0.00 1.43 1.30 0.00 1.36 0.00 0.00 1.30 0.00 0.00 2.72 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.72 1.13 7.81 41 G 9.47 3.83 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 0.00 0.00 0.00 42 H 8.05 4.30 0.00 3.29 3.21 0.00 5.55 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 9.04 5.06 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 1.15 0.00 0.00 44 L 8.49 4.92 0.00 0.34 0.97 0.71 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.51 4.83 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 1.04 0.00 0.00 0.87 0.00 0.00 46 I 8.85 5.25 2.03 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 1.55 0.66 0.67 0.00 0.00 47 P 0.00 4.96 0.00 2.32 2.19 0.00 4.27 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.14 0.00 48 K 9.02 4.27 0.00 1.72 1.98 0.00 1.88 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.47 7.81 49 V 7.77 3.89 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 0.81 0.00 0.00 0.99 0.00 0.00 50 H 8.86 4.23 0.00 3.24 3.31 0.00 5.92 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.02 4.60 0.00 1.76 1.63 0.00 1.92 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.29 7.81 52 Q 9.16 4.29 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.71 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 53 D 7.67 4.74 0.00 3.17 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 I 9.06 3.42 2.08 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.94 -0.03 0.00 0.00 55 F 7.51 4.38 0.00 3.23 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.90 4.45 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.36 4.07 0.00 1.47 1.40 -0.01 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.08 4.34 4.37 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 1.20 0.00 0.00 59 P 0.00 4.19 0.00 2.14 2.10 0.00 3.57 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 2.08 2.14 0.00 60 E 8.00 3.83 0.00 2.01 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 0.00 2.37 2.41 0.00 61 I 7.69 3.73 1.82 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.86 0.89 0.00 0.00 62 A 8.00 3.85 1.24 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 0.00 0.00 0.00 63 S 8.24 4.09 0.00 3.89 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 64 H 7.96 4.32 0.00 3.30 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 8.05 3.96 2.12 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.39 1.16 0.00 0.00 66 F 8.50 4.39 0.00 3.17 3.10 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 67 S 8.21 4.20 0.00 4.08 4.20 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 0.00 0.00 0.00 0.00 68 V 7.24 3.87 1.48 0.00 0.00 0.00 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 0.85 0.00 0.00 69 V 7.32 3.36 1.42 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 0.73 0.00 0.00 0.80 0.00 0.00 70 P 0.00 4.06 0.00 2.04 1.91 0.00 3.55 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.88 0.00 71 K 7.71 3.97 0.00 1.87 1.95 0.00 1.41 0.00 0.00 1.72 0.00 0.00 2.67 0.00 0.00 2.32 0.00 0.00 0.00 0.00 1.37 1.23 7.81 72 I 7.49 3.62 1.73 0.00 0.00 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 1.29 0.49 0.90 0.00 0.00 73 A 8.14 3.71 0.61 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 74 N 8.38 4.14 0.00 2.70 2.79 0.00 0.00 6.95 7.52 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 75 A 7.88 3.95 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 76 I 7.83 3.86 2.26 0.00 0.00 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 1.64 0.80 1.26 0.00 0.00 77 K 8.43 3.93 0.00 1.79 1.91 0.00 1.55 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 78 A 8.17 3.99 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 79 E 7.86 4.03 0.00 1.42 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 2.30 2.28 0.00 80 F 8.08 4.98 0.00 3.31 3.23 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 0.00 0.00 0.00 81 N 8.30 4.25 0.00 2.92 2.88 0.00 0.00 6.95 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 82 P 0.00 4.33 0.00 2.21 1.50 0.00 3.97 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 83 V 8.15 3.93 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 0.68 0.00 0.00 0.99 0.00 0.00 84 G 7.49 4.11 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 0.00 0.00 0.00 85 F 8.42 5.04 0.00 2.93 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 86 N 8.89 5.23 0.00 2.29 2.46 0.00 0.00 6.67 6.48 0.00 0.00 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 L 8.48 5.25 0.00 1.58 1.63 1.08 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.58 4.77 0.00 1.43 1.18 0.99 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.69 5.09 0.00 2.59 2.59 0.00 0.00 6.94 7.79 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 90 N 8.66 4.90 0.00 2.62 2.77 0.00 0.00 6.87 8.00 0.00 0.00 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 N 8.84 5.00 0.00 2.66 2.74 0.00 0.00 7.38 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 G 9.85 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 93 E 9.14 4.32 0.00 2.25 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 0.00 2.47 2.45 0.00 94 K 8.18 4.23 0.00 1.84 1.88 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.48 7.81 95 A 8.15 4.58 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.10 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 97 Q 8.34 4.02 0.00 1.98 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.50 0.00 0.00 0.00 0.00 0.00 1.17 1.88 0.00 98 T 8.21 4.30 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 1.25 0.00 0.00 99 V 7.23 4.03 1.47 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 -0.15 0.00 0.00 0.57 0.00 0.00 100 F 8.43 4.42 0.00 3.08 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 0.00 101 H 7.54 5.13 0.00 3.20 3.24 0.00 5.77 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 0.00 102 F 9.38 4.19 0.00 3.07 3.04 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 0.00 103 H 7.55 5.01 0.00 2.99 3.22 0.00 5.56 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 0.00 104 L 8.54 4.60 0.00 1.63 1.61 1.27 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 105 H 9.09 4.93 0.00 2.97 3.06 0.00 5.58 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.33 4.67 0.00 1.77 1.81 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.94 4.32 1.31 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.34 0.61 0.00 0.00 108 P 0.00 4.03 0.00 1.64 1.97 0.00 3.47 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 109 R 8.37 4.67 0.00 1.61 1.87 0.00 3.21 0.00 0.00 3.44 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.75 0.00 110 Y 10.36 4.53 0.00 3.12 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 0.00 111 G 7.65 3.77 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 0.00 0.00 0.00 112 E 8.75 3.94 0.00 1.96 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 2.33 2.42 0.00 113 N 7.93 4.87 0.00 2.71 2.82 0.00 0.00 6.93 8.06 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 0.00 114 D 7.72 4.59 0.00 2.69 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.22 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 0.00 116 F 7.71 4.90 0.00 2.83 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 0.00 117 G 6.97 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 0.00 0.00 0.00 118 A 7.91 4.37 1.24 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 0.00 0.00 0.00 119 V 8.27 4.05 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 0.83 0.00 0.00 0.91 0.00 0.00 120 W 8.71 4.94 0.00 3.30 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 0.00 121 K 8.00 4.40 0.00 1.62 1.52 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.20 1.24 7.81 122 S 8.51 4.21 0.00 3.87 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 H 8.40 4.91 0.00 3.26 3.44 0.00 5.69 0.00 0.00 0.00 0.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 8.38 4.05 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.38 6.95 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 125 N 8.09 4.70 0.00 2.74 2.84 0.00 0.00 6.92 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.15 4.14 0.00 1.77 1.55 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 2.24 2.24 0.00 127 Y 7.75 5.06 0.00 2.94 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 0.00 128 T 8.89 4.61 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 1.22 0.00 0.00 *130 E 9.10 4.27 0.00 2.14 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 0.00 2.31 2.41 0.00 131 N 8.25 4.38 0.00 3.15 3.10 0.00 0.00 7.07 6.86 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 0.00 132 L 7.96 3.95 0.00 1.71 1.68 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 8.05 4.02 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 134 N 8.26 4.41 0.00 2.93 2.87 0.00 0.00 7.05 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 I 8.01 3.70 1.95 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 1.49 0.74 0.87 0.00 0.00 136 A 8.39 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 0.00 137 S 8.23 4.10 0.00 4.07 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 T 7.79 3.85 4.41 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 1.21 0.00 0.00 139 I 7.81 3.84 1.99 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 1.46 1.03 0.92 0.00 0.00 140 A 8.24 4.00 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 0.00 141 N 8.36 4.39 0.00 2.74 2.90 0.00 0.00 7.01 7.24 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 0.00 142 S 7.76 4.50 0.00 3.87 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 0.00 143 V 7.07 3.64 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 0.82 0.00 0.00 1.01 0.00 0.00 144 K 8.62 4.18 0.00 1.79 1.70 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.