NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.0116 8.2644 123.5773 51.7265 20.1303 175.9721 *2 K 3.9423 8.1641 120.0619 56.3636 33.2965 174.3873 3 S 5.0009 8.2438 121.9271 56.7761 65.3814 172.9742 4 Y 4.8856 8.8000 118.7556 56.2590 42.2158 174.1504 5 E 5.2348 10.0819 121.7383 54.7024 32.1427 175.2850 6 I 5.2969 9.5729 118.1639 58.9899 41.4705 174.1737 7 A 5.2958 9.0895 125.2606 50.2913 22.1719 174.9397 8 L 5.0906 8.8142 122.3011 53.2936 43.9699 175.6686 9 I 4.7339 8.3737 123.1678 59.8096 42.1732 173.7884 10 G 4.4692 8.0812 113.6639 46.3188 0.0000 172.2297 11 N 5.0324 8.6731 116.7595 51.5816 39.0505 173.6257 12 P 4.1063 0.0000 0.0000 64.1724 31.7675 175.8904 13 N 4.3041 8.6923 118.1786 54.9769 36.8037 175.0454 14 V 4.0683 7.8127 108.1545 60.5780 32.5879 176.6893 15 G 4.1432 8.1621 109.3918 45.5842 0.0000 175.7981 16 K 3.9626 8.2517 123.0215 58.9439 32.1301 178.5192 17 S 4.1031 7.9724 113.0605 61.6209 62.4328 175.8810 18 T 3.8930 7.9570 117.9333 66.9748 68.1168 176.4604 19 I 3.7191 8.0288 121.6392 64.0774 37.0945 178.0957 20 F 4.0741 8.5588 121.9231 61.6643 38.9979 177.0566 21 N 4.2962 8.4901 114.5841 56.1531 38.4104 176.9986 22 A 4.0732 7.7772 120.8759 53.9167 18.4691 178.9864 23 L 3.9426 7.0161 116.9947 56.3128 42.6009 177.6076 24 T 4.5624 7.0816 107.0566 61.1424 71.0902 175.9719 25 G 4.0647 7.8914 109.9220 46.2117 0.0000 174.7888 26 E 4.4174 9.0306 124.9884 56.1271 29.7017 176.1535 27 N 4.8402 7.7220 118.4695 51.6427 36.8580 173.1891 28 V 4.9565 7.8343 118.1564 60.8542 36.2947 172.9493 29 Y 4.8135 9.0522 126.5482 56.2068 40.9054 174.3857 30 I 4.3802 7.7826 126.3831 59.6938 39.5281 174.1650 31 G 4.0918 8.0244 119.4879 44.7485 0.0000 169.8182 32 N 5.6423 8.4951 117.7632 50.3915 40.6553 174.8103 33 W 4.3173 8.7733 120.0064 55.9155 30.2940 174.6675 34 P 4.1738 0.0000 0.0000 64.4264 31.1978 177.6676 35 G 4.0240 9.0049 108.9950 46.0948 0.0000 172.8013 36 V 4.5682 7.5499 111.2808 59.9846 35.4338 175.2462 37 T 4.4421 8.3157 107.8674 61.6550 68.9682 174.5445 38 V 3.9186 7.5718 123.3302 62.8509 32.6890 174.8409 39 E 4.4359 8.9220 129.3070 56.1012 30.7087 175.5817 40 K 4.2709 9.1524 128.1724 54.5892 34.5979 174.5258 41 K 4.7723 8.2618 127.4025 54.9142 34.0953 175.5605 42 E 5.2407 8.8316 124.1076 55.1292 33.8302 175.7527 43 G 4.5072 8.7371 107.5824 47.3534 0.0000 171.5924 44 E 5.9508 8.2398 113.2891 56.7971 32.7966 174.9022 45 F 5.0958 7.9131 114.2110 55.2847 41.6800 172.9552 46 E 5.0797 8.9458 121.3510 55.7254 30.8176 174.8682 47 Y 4.6959 9.3042 124.9322 57.7036 43.2122 173.5216 48 N 4.0910 8.1588 125.0975 55.0478 38.3200 176.0580 49 G 4.1921 8.5330 99.2740 43.7244 0.0000 172.4105 50 E 4.9199 8.1483 116.5175 54.9026 35.3318 175.9040 51 K 4.8084 8.5336 124.4355 54.8311 34.7548 174.9777 52 F 4.9122 8.6733 125.7392 55.5344 41.5899 174.3960 53 K 4.8211 9.4515 125.1938 55.5994 33.7747 176.3206 54 V 4.8678 9.3099 125.1692 61.2644 34.2193 174.0837 55 V 4.7957 8.7593 128.5230 61.3095 33.6112 173.8512 56 D 4.8735 8.7024 128.5462 53.3499 41.5368 175.8679 57 L 4.7074 8.2542 126.3001 52.7166 43.4225 175.1870 58 P 4.2676 0.0000 0.0000 62.3030 31.8397 176.9877 59 G 4.1275 8.4373 111.4227 45.1172 0.0000 173.2086 60 V 4.3800 7.7774 115.7120 60.2299 35.6852 175.1197 61 Y 4.7366 8.2993 118.5579 58.8026 38.7497 175.7027 62 S 4.8780 7.6193 111.7017 57.6334 65.5816 174.2498 63 L 4.8229 10.0473 125.4709 54.2104 41.8448 176.3629 64 T 4.5475 7.7549 122.1940 63.6049 68.8257 176.5763 65 A 4.7718 8.1731 122.9457 52.7822 19.2498 176.4640 66 N 4.6380 8.4893 118.1997 55.3791 39.8876 176.2734 67 S 4.6566 7.4270 112.2802 55.7886 67.2915 174.5765 68 I 3.6584 8.2673 121.9378 64.1897 37.7011 177.7380 69 D 4.1921 7.9630 119.4168 57.3993 40.6532 178.4197 70 E 3.9513 8.0263 118.6965 59.2748 29.4125 179.5466 71 I 3.6339 7.5982 119.5329 64.5189 37.2783 178.3358 72 I 3.3867 7.8708 120.7492 64.3134 36.7420 178.4171 73 A 3.8378 7.7809 121.2977 55.0698 18.3345 179.6723 74 R 3.8620 8.2590 117.7058 59.5714 30.0992 178.2543 75 D 4.4317 8.2363 117.9902 57.2795 41.1755 177.5820 76 Y 3.8539 7.8788 119.9798 60.7043 38.9412 177.5708 77 I 3.8647 8.2850 121.1063 64.9607 37.1202 178.4923 78 I 3.9253 7.6152 118.6586 63.6963 37.1876 177.3797 79 N 4.7002 8.4375 115.3107 53.3857 39.4427 175.3448 80 E 4.0734 8.0202 119.2652 55.1159 30.6062 175.5982 81 K 3.7700 7.2375 114.2100 57.3516 29.6193 172.7744 82 P 4.5787 0.0000 0.0000 62.1549 32.5651 176.8507 83 D 4.6735 8.7145 121.8604 57.2857 41.4552 176.8609 84 L 4.8148 7.8910 118.6579 53.5703 46.1309 174.6523 85 V 4.6444 9.1146 126.1566 61.3349 33.7728 174.7417 86 V 4.4246 9.1053 129.8985 61.7850 32.4312 174.5913 87 N 5.1712 9.3659 129.4616 52.6599 39.3751 173.7918 88 I 4.6723 8.5960 128.8674 60.7782 38.7232 175.4932 89 V 4.4984 8.6813 126.5145 60.9640 35.1883 173.7153 90 D 4.8144 8.7321 127.2292 53.3854 41.5033 176.7533 91 A 4.0671 8.7490 130.6307 55.3092 18.5380 178.2505 92 T 4.1846 8.3695 104.1411 63.0017 69.7770 174.5035 93 A 4.7876 7.8874 126.2406 50.3098 19.6995 177.7889 94 L 3.9658 8.3231 123.8478 58.7700 41.7780 178.5347 95 E 3.9057 8.2323 117.0383 59.6791 29.2346 178.5336 96 R 4.0857 7.9628 117.8284 59.5686 30.2456 178.0522 97 N 4.5228 8.2816 116.2175 56.1391 38.4292 177.1271 98 L 4.1374 8.1122 120.0083 56.7679 41.5989 178.3621 99 Y 3.9807 7.7041 119.4532 60.7605 38.5821 178.1071 100 L 4.0680 8.1735 120.6429 58.4683 42.1192 178.7104 101 T 3.8969 7.2367 107.8632 64.9508 68.5372 176.0138 102 L 4.0911 8.0423 121.3031 57.5106 41.6980 179.0045 103 Q 4.2962 7.4953 117.0332 58.8848 28.7921 179.5779 104 L 4.0346 8.0425 116.8758 55.1969 42.0657 177.6755 *106 E 4.0253 8.1148 114.8129 56.3446 30.4888 176.4603 *108 G 3.8000 7.9479 103.5179 45.7773 0.0000 172.4016 109 A 4.2895 7.5397 121.6125 51.2041 19.7171 177.7271 110 N 4.5087 8.7846 119.7953 53.4573 39.8618 173.4008 111 L 5.2879 8.5229 128.1874 53.1306 45.2463 175.1143 112 L 4.7413 8.8574 126.5517 53.1966 45.7400 174.6040 113 L 4.9778 8.7602 128.3839 53.7073 43.7613 175.0549 114 A 4.8381 8.6647 130.0665 50.6243 20.3491 175.7752 115 L 4.7061 8.4701 125.7877 54.9988 42.1732 175.7355 116 N 5.0872 9.0327 125.2455 52.0211 41.8107 170.2870 117 K 4.3620 8.7197 127.3043 55.8499 29.7973 176.3476 *119 D 4.5497 8.4322 123.5601 53.1716 41.6357 177.8522 120 L 3.9770 7.9124 120.7577 57.5937 41.9447 178.5670 121 A 3.9863 8.0075 120.3251 55.5064 18.3021 178.6238 122 K 3.7089 8.2209 117.0666 60.1638 31.8585 178.4200 123 S 4.2747 8.3019 116.2616 61.3259 63.0543 176.1371 124 L 4.5713 7.6719 118.0782 53.6688 41.8629 177.1567 125 G 3.8853 8.2030 107.3124 46.0305 0.0000 173.6134 126 I 4.1049 7.8340 120.9316 60.2636 37.7375 175.3401 127 E 4.7703 8.6893 124.5312 54.2604 32.3245 175.3239 128 I 4.4764 7.9723 115.9175 58.6014 40.3451 175.7854 129 D 4.5720 8.3972 122.5671 53.0857 40.8934 176.8605 130 V 3.5286 8.3063 125.5223 66.4651 31.3452 176.8500 131 D 4.3329 8.1275 117.4074 57.4883 40.7039 178.9589 132 K 3.9104 8.2120 119.2454 59.4635 32.2575 178.4553 133 L 3.9291 8.1064 120.6539 58.1034 40.5576 178.2579 134 E 4.1878 9.0244 118.7618 57.7688 29.4196 177.9699 135 K 4.1683 7.5265 119.3468 59.1802 32.7641 178.0800 136 I 3.7088 7.7655 117.4225 63.6711 37.9158 177.2775 137 L 4.2811 8.0307 119.3307 54.7904 41.7916 177.1966 138 G 3.9322 7.8987 105.5054 46.1726 0.0000 173.5849 139 V 4.5024 7.1027 116.1210 58.8497 34.8402 174.8277 140 K 4.5442 8.4206 122.4298 56.4076 33.5180 175.5244 141 V 4.8611 8.3429 124.3643 61.2646 34.7001 174.8851 142 V 4.2684 8.8714 128.6261 60.1470 32.7564 172.7309 143 P 4.9054 0.0000 0.0000 62.8595 31.8337 175.3358 144 L 4.2731 8.4441 121.6588 55.6669 44.4950 173.9898 145 S 4.8510 8.0741 113.7377 56.1066 63.1342 174.7148 146 A 4.0865 9.6623 127.2551 54.8886 18.7677 180.4130 147 A 4.0654 8.0311 117.4982 54.4933 18.5442 178.1523 148 K 4.1574 8.3209 113.5264 55.5764 33.1276 173.1535 149 K 3.6497 7.5837 123.5789 56.0811 29.8191 176.2492 *151 G 3.8406 8.2902 111.4958 44.8590 0.0000 173.2681 152 I 3.5827 7.3325 121.2903 63.8772 37.0415 177.3136 153 E 3.8477 8.1129 119.3625 59.8263 29.3880 178.8881 154 E 3.8844 8.0291 118.3778 58.8146 29.6600 178.3477 155 L 3.8814 7.6065 120.3207 57.7506 41.9512 178.7453 156 K 3.4269 8.0630 118.9771 58.6366 32.1900 178.6677 157 K 3.8059 8.1022 121.5293 58.8610 32.2585 178.5951 158 A 3.9826 7.7624 120.9759 55.2850 18.2946 179.6558 159 I 3.6224 7.8837 118.9068 64.5156 36.9375 178.7744 160 S 4.3963 7.5828 114.1002 60.7372 62.8958 176.0353 161 I 4.0252 7.5708 115.5174 63.5005 38.3749 177.5349 162 A 4.1821 8.0189 122.7440 54.2468 17.8359 179.3205 163 V 3.8141 7.3217 114.3473 62.3450 31.2701 176.7666 164 K 4.5393 7.8488 116.3517 56.5527 32.9240 176.0457 165 D 4.5736 7.9748 124.3854 54.4241 41.3360 175.7253 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 0 A 8.26 4.01 1.23 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 0.00 0.00 *2 K 8.16 3.94 0.00 1.82 1.68 0.00 1.37 0.00 0.00 1.59 0.00 0.00 2.20 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 0.79 7.81 3 S 8.24 5.00 0.00 3.72 3.66 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 4 Y 8.80 4.89 0.00 2.31 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 10.08 5.23 0.00 1.93 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 2.28 2.25 0.00 6 I 9.57 5.30 2.02 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.12 1.18 0.00 0.00 7 A 9.09 5.30 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 8 L 8.81 5.09 0.00 1.66 1.64 1.17 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.37 4.73 1.88 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.49 0.93 0.00 0.00 10 G 8.08 4.47 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.67 5.03 0.00 2.62 2.40 0.00 0.00 7.30 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 12 P 0.00 4.11 0.00 1.96 1.91 0.00 2.48 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 13 N 8.69 4.30 0.00 2.84 2.94 0.00 0.00 6.98 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 14 V 7.81 4.07 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 0.84 0.00 0.00 1.00 0.00 0.00 15 G 8.16 4.14 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 0.00 0.00 0.00 16 K 8.25 3.96 0.00 1.83 1.79 0.00 1.93 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.68 1.52 7.81 17 S 7.97 4.10 0.00 3.92 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.96 3.89 4.44 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 1.19 0.00 0.00 19 I 8.03 3.72 1.90 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 1.39 1.67 0.88 0.00 0.00 20 F 8.56 4.07 0.00 3.20 3.30 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 21 N 8.49 4.30 0.00 2.88 2.89 0.00 0.00 7.09 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 22 A 7.78 4.07 1.29 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 0.00 0.00 23 L 7.02 3.94 0.00 1.46 1.29 0.83 0.76 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 24 T 7.08 4.56 4.08 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 0.81 0.00 0.00 25 G 7.89 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 9.03 4.42 0.00 1.98 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 2.26 2.29 0.00 27 N 7.72 4.84 0.00 2.83 3.01 0.00 0.00 5.99 7.68 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 28 V 7.83 4.96 2.31 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 0.77 0.00 0.00 1.02 0.00 0.00 29 Y 9.05 4.81 0.00 3.04 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 30 I 7.78 4.38 1.68 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.73 0.77 0.00 0.00 31 G 8.02 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 0.00 0.00 0.00 0.00 32 N 8.50 5.64 0.00 2.93 2.73 0.00 0.00 5.90 8.88 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 33 W 8.77 4.32 0.00 3.22 3.24 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 34 P 0.00 4.17 0.00 2.29 2.08 0.00 4.13 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.22 0.00 35 G 9.00 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 0.00 0.00 0.00 36 V 7.55 4.57 2.12 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 0.80 0.00 0.00 1.16 0.00 0.00 37 T 8.32 4.44 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 38 V 7.57 3.92 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 1.04 0.00 0.00 0.97 0.00 0.00 39 E 8.92 4.44 0.00 2.00 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 2.17 2.21 0.00 40 K 9.15 4.27 0.00 0.84 1.10 0.00 0.61 0.00 0.00 1.04 0.00 0.00 2.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.66 0.21 7.81 41 K 8.26 4.77 0.00 1.05 0.87 0.00 0.99 0.00 0.00 1.67 0.00 0.00 2.77 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.17 7.81 42 E 8.83 5.24 0.00 1.99 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 2.24 2.16 0.00 43 G 8.74 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 0.00 0.00 0.00 0.00 44 E 8.24 5.95 0.00 1.95 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 2.18 2.14 0.00 45 F 7.91 5.10 0.00 3.16 3.27 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 46 E 8.95 5.08 0.00 2.09 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 2.42 2.36 0.00 47 Y 9.30 4.70 0.00 3.31 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 48 N 8.16 4.09 0.00 2.88 2.81 0.00 0.00 7.00 7.98 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 49 G 8.53 4.19 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 0.00 50 E 8.15 4.92 0.00 2.42 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 2.41 2.40 0.00 51 K 8.53 4.81 0.00 1.79 1.52 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.38 7.81 52 F 8.67 4.91 0.00 1.51 2.31 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 53 K 9.45 4.82 0.00 1.94 1.90 0.00 1.46 0.00 0.00 1.54 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.46 7.81 54 V 9.31 4.87 2.26 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 1.22 0.00 0.00 1.26 0.00 0.00 55 V 8.76 4.80 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 0.76 0.00 0.00 1.05 0.00 0.00 56 D 8.70 4.87 0.00 2.13 2.18 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.71 0.00 1.63 1.49 0.92 0.69 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 58 P 0.00 4.27 0.00 1.91 1.91 0.00 3.48 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.98 0.00 59 G 8.44 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 0.00 0.00 0.00 60 V 7.78 4.38 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 0.91 0.00 0.00 0.89 0.00 0.00 61 Y 8.30 4.74 0.00 2.96 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 62 S 7.62 4.88 0.00 3.85 3.76 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 63 L 10.05 4.82 0.00 1.85 1.62 0.94 0.82 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 64 T 7.75 4.55 4.43 0.00 0.00 0.00 0.00 0.00 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 65 A 8.17 4.77 1.20 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 0.00 0.00 66 N 8.49 4.64 0.00 2.93 2.88 0.00 0.00 6.97 7.57 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 67 S 7.43 4.66 0.00 3.98 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 68 I 8.27 3.66 1.85 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 1.61 1.29 0.88 0.00 0.00 69 D 7.96 4.19 0.00 2.67 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 70 E 8.03 3.95 0.00 2.13 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 2.40 2.34 0.00 71 I 7.60 3.63 1.97 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 1.50 0.85 0.86 0.00 0.00 72 I 7.87 3.39 1.49 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.79 -0.78 0.00 0.00 73 A 7.78 3.84 1.28 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 0.00 0.00 74 R 8.26 3.86 0.00 1.91 1.97 0.00 3.10 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 75 D 8.24 4.43 0.00 2.86 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 76 Y 7.88 3.85 0.00 3.29 3.09 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 0.00 77 I 8.28 3.86 1.93 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.31 0.97 0.00 0.00 78 I 7.62 3.93 2.07 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 1.53 0.48 0.91 0.00 0.00 79 N 8.44 4.70 0.00 2.77 2.83 0.00 0.00 6.92 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.02 4.07 0.00 1.35 1.12 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 1.64 2.00 0.00 81 K 7.24 3.77 0.00 1.90 1.77 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.50 7.81 82 P 0.00 4.58 0.00 2.18 2.21 0.00 3.73 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 83 D 8.71 4.67 0.00 2.88 2.88 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 84 L 7.89 4.81 0.00 1.77 1.53 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 85 V 9.11 4.64 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 1.00 0.00 0.00 1.02 0.00 0.00 86 V 9.11 4.42 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 0.86 0.00 0.00 0.97 0.00 0.00 87 N 9.37 5.17 0.00 2.85 2.72 0.00 0.00 6.93 7.88 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 88 I 8.60 4.67 1.87 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 1.12 0.72 0.91 0.00 0.00 89 V 8.68 4.50 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 0.95 0.00 0.00 90 D 8.73 4.81 0.00 2.82 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 91 A 8.75 4.07 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 92 T 8.37 4.18 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 93 A 7.89 4.79 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 94 L 8.32 3.97 0.00 1.71 1.77 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 1.01 0.00 0.00 0.93 0.00 0.00 131 D 8.13 4.33 0.00 2.72 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 0.00 132 K 8.21 3.91 0.00 2.01 2.03 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.56 7.81 133 L 8.11 3.93 0.00 1.79 1.83 0.93 0.81 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 0.00 134 E 9.02 4.19 0.00 2.03 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 2.30 2.59 0.00 135 K 7.53 4.17 0.00 1.85 2.04 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.42 7.81 136 I 7.77 3.71 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.80 1.04 0.00 0.00 137 L 8.03 4.28 0.00 1.90 1.70 0.92 0.83 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 0.00 138 G 7.90 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 0.00 139 V 7.10 4.50 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 0.77 0.00 0.00 1.01 0.00 0.00 140 K 8.42 4.54 0.00 1.82 1.71 0.00 1.70 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.22 7.81 141 V 8.34 4.86 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 0.83 0.00 0.00 0.97 0.00 0.00 142 V 8.87 4.27 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.89 0.00 0.00 143 P 0.00 4.91 0.00 1.96 1.96 0.00 3.75 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 2.02 2.08 0.00 144 L 8.44 4.27 0.00 1.62 1.69 0.87 0.77 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 0.00 145 S 8.07 4.85 0.00 3.72 3.76 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 0.00 146 A 9.66 4.09 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 0.00 147 A 8.03 4.07 1.29 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 0.00 0.00 148 K 8.32 4.16 0.00 1.68 1.84 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.52 7.81 149 K 7.58 3.65 0.00 1.96 1.95 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.35 7.81 *151 G 8.29 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 0.00 152 I 7.33 3.58 1.79 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 1.46 0.70 0.74 0.00 0.00 153 E 8.11 3.85 0.00 2.04 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 2.43 2.56 0.00 154 E 8.03 3.88 0.00 2.05 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 2.33 2.33 0.00 155 L 7.61 3.88 0.00 1.74 1.79 0.85 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.06 3.43 0.00 1.19 1.51 0.00 1.65 0.00 0.00 0.61 0.00 0.00 2.53 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.52 0.59 7.81 157 K 8.10 3.81 0.00 1.93 1.96 0.00 1.80 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.33 7.81 158 A 7.76 3.98 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 0.00 159 I 7.88 3.62 1.72 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 1.54 1.07 0.72 0.00 0.00 160 S 7.58 4.40 0.00 4.29 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 0.00 161 I 7.57 4.03 1.89 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 0.49 0.96 0.00 0.00 162 A 8.02 4.18 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.32 3.81 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 0.03 0.00 0.00 0.70 0.00 0.00 164 K 7.85 4.54 0.00 1.98 1.86 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.36 7.81 165 D 7.97 4.57 0.00 2.79 2.53 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.