NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.5766 8.3149 120.0856 56.4004 33.5194 174.6694 6 I 4.4408 8.9813 126.3149 58.5288 40.9408 169.2773 7 V 4.7864 9.1039 126.4553 61.5247 34.1372 173.8862 8 L 5.0414 8.7195 127.8910 53.0322 44.2600 175.6134 9 K 4.5865 8.7848 124.4764 54.7517 33.4336 176.3895 10 S 4.5474 8.7541 120.9463 57.4782 64.1319 173.7167 11 S 4.5990 8.6307 114.3855 58.2335 62.9935 175.2823 12 D 4.2578 8.3832 117.8950 53.5544 39.5676 175.5500 13 G 3.9136 8.4577 107.6681 47.2753 0.0000 172.0952 14 E 4.5305 7.7486 119.9310 55.2544 32.9387 174.4086 15 S 4.7541 8.6238 120.7377 58.5290 64.2040 174.0394 16 F 4.5902 8.9189 121.4353 55.5574 42.2382 173.8364 17 E 4.4406 8.9367 125.9617 55.8624 30.0457 176.0229 18 V 4.6827 8.6243 119.8517 59.3696 36.4820 175.6102 19 E 4.3344 8.7080 122.4647 55.8049 29.5764 176.4303 20 E 3.8317 8.3031 118.7308 60.4711 29.1280 178.4048 21 A 4.1887 7.6903 123.0127 54.0088 19.2029 179.4632 22 V 3.6349 7.6436 116.8647 66.0111 32.0918 177.8046 23 A 4.1334 7.8240 119.5264 54.2891 17.9672 178.6268 24 L 4.3207 7.2867 114.4702 55.8470 42.0613 178.2991 25 E 4.2733 7.8943 118.6568 58.0130 29.6177 176.8395 26 S 4.3886 7.4938 113.4669 57.3145 62.2843 174.6186 27 Q 4.1103 8.5937 127.9059 58.5330 28.2207 178.5693 28 T 3.9942 7.7097 116.3354 66.3156 69.1196 176.2683 29 I 3.9317 7.6777 121.0894 63.2960 37.2072 178.3550 30 A 4.0707 8.0978 122.2223 55.3666 18.1505 178.9770 31 H 4.2784 7.9646 109.9850 57.3016 28.1315 175.6004 32 M 4.8226 7.8161 117.7278 55.3404 32.3707 176.6598 33 V 4.3677 7.6991 108.0026 60.9841 31.9592 176.8113 34 E 4.1780 7.5079 120.3466 58.8911 29.9071 177.3450 35 D 4.5430 8.3700 118.5188 56.4301 39.5397 178.1644 36 D 4.5164 6.8161 118.7352 57.4183 37.0771 175.3415 37 C 4.3555 8.3186 122.0927 60.7278 28.8530 175.8695 38 V 3.6974 7.7901 120.3242 65.2941 31.2852 177.1593 39 D 4.3892 8.2525 118.5389 57.2803 40.6439 177.1433 40 N 4.8488 8.1636 113.3374 52.4465 39.1771 173.9496 41 G 4.1186 8.1716 107.5529 45.1730 0.0000 174.4553 42 V 3.8144 8.3809 115.4556 60.4738 32.5296 174.0620 43 P 4.8984 0.0000 0.0000 62.1444 31.1865 175.7156 44 L 4.8745 8.8007 127.5562 52.0423 41.1927 174.3569 45 P 5.3936 0.0000 0.0000 63.5828 31.7649 176.8834 46 N 4.6768 8.3067 114.1550 53.3667 40.2188 174.3003 47 V 4.2723 7.3411 119.5355 60.8537 33.0644 175.0226 48 T 4.2664 8.3541 122.5287 61.8181 69.1378 174.5017 49 S 4.3256 8.7447 121.3080 60.7486 62.2658 176.3543 50 K 4.0130 8.1160 122.0482 59.4834 31.8584 178.7718 51 I 3.7724 7.5438 119.4817 64.2980 37.2198 177.5860 52 L 3.7813 8.2231 121.3998 58.2249 41.6672 178.6167 53 A 4.0033 7.7916 120.3319 55.5511 18.4580 179.7825 54 K 4.1346 7.8618 116.2724 59.6030 32.0712 179.8320 55 V 3.7515 8.1034 118.7647 66.1447 31.5211 178.1645 56 I 3.7232 8.0416 119.8266 64.2884 37.0379 177.8105 57 E 3.9705 8.4873 120.2900 59.5727 29.5561 178.3477 58 Y 3.9297 7.9402 118.9257 60.9546 38.9194 177.8338 59 C 4.0526 8.3832 117.6823 62.4859 27.9924 175.5848 60 K 3.7091 8.2477 120.5458 59.9253 31.4563 178.2834 61 R 3.6099 7.4993 117.9265 59.5966 29.6340 178.2328 62 H 3.9874 7.5374 114.7898 58.4713 28.9608 177.6089 63 V 3.7207 7.7710 120.1902 65.5463 31.0688 176.8578 64 E 4.0144 7.5379 116.1626 56.8252 28.9894 176.7342 65 A 4.5655 7.5563 119.2733 52.0893 18.8430 179.5683 66 A 3.8699 7.6263 121.6867 56.1494 18.7959 178.5648 67 A 3.9560 7.6904 122.4271 52.3588 18.4809 177.6237 68 S 4.4040 8.2678 118.6201 59.0786 64.2037 174.3936 *80 D 4.6749 8.5212 122.2357 54.5361 41.4398 177.6013 81 D 4.3603 8.0649 117.9768 57.3950 41.5164 177.4444 82 D 4.6324 8.0021 117.0894 55.9609 41.7215 178.4700 83 L 4.0083 7.9289 119.9466 57.8491 41.8456 179.3172 84 K 4.2375 8.2267 117.3425 59.0497 31.8738 179.0477 85 A 4.0113 7.5706 119.5523 54.8518 18.4135 179.2548 86 W 4.2053 8.2898 126.5185 60.7299 30.8146 177.6838 87 D 4.5083 9.0615 118.7920 57.6713 40.1700 178.5772 88 A 4.0229 7.7625 119.6089 55.5339 18.2113 178.8904 89 D 4.3371 8.1995 116.1573 57.0136 41.0493 178.2216 90 F 4.0087 7.9293 121.0100 60.8262 39.3851 176.2431 91 M 4.0001 7.5128 115.6982 55.4704 33.2845 177.1729 92 K 4.2310 7.2197 120.1200 56.6166 30.1660 174.4439 93 I 4.4786 6.8337 112.0587 58.4341 41.1823 175.5376 94 D 4.5950 7.9754 119.6446 52.5022 41.8328 176.5720 95 Q 3.3457 8.3245 118.2844 59.2908 28.5179 179.1796 96 A 3.8276 7.7414 120.7895 55.5944 18.2263 179.5831 97 T 3.8864 7.4940 113.4397 66.0562 68.8714 176.5387 98 L 3.7953 7.8270 122.6828 58.4774 42.0474 179.2354 99 F 4.5625 8.0043 117.6803 60.8006 38.9775 177.6045 100 E 4.0949 8.1789 118.0244 59.1139 29.1468 179.5058 101 L 4.0088 7.8881 119.3788 57.6927 41.6598 179.2364 102 I 3.6798 7.7419 119.7282 64.6952 37.1645 178.3975 103 L 3.9756 8.0866 119.2190 57.8033 41.3218 179.6119 104 A 4.1885 7.9298 120.0593 54.9275 18.6259 179.4939 105 A 3.9435 8.6786 119.7030 55.2651 18.1879 179.4388 106 N 4.3106 8.2209 114.9768 56.7664 38.9258 176.3122 107 Y 4.4559 8.1329 120.9682 62.3244 39.2342 175.7312 108 L 4.5465 8.0651 124.3848 54.6439 42.1463 178.4058 109 N 4.9936 8.3022 114.2647 53.8036 39.3994 176.7953 110 I 4.2577 7.7820 121.5529 59.5394 37.0352 176.9186 111 K 3.9352 8.4453 126.8876 59.4117 31.0284 177.7873 112 N 4.3797 8.2115 116.3308 56.2834 38.7158 176.7034 113 L 3.6916 7.9159 120.8647 56.5750 42.1221 178.0680 114 L 4.2891 7.7844 121.5034 57.0297 41.3186 177.8392 115 D 4.5569 8.0460 117.3117 55.9635 40.8652 177.4645 116 L 4.5553 7.4046 121.4148 56.6850 43.0040 178.3045 117 T 3.8495 7.6125 109.3871 65.0859 68.8451 176.2012 118 C 4.0341 7.8089 119.9331 62.5772 28.2076 176.1308 119 Q 3.9780 7.5852 118.4762 59.4724 28.3116 178.5703 120 T 3.9218 7.5280 115.8633 66.5007 68.8058 176.6501 121 V 3.8914 8.0626 120.0617 65.9671 31.6265 177.9790 122 A 4.0957 8.3516 120.7277 55.2266 17.9755 179.2304 123 D 4.4548 8.0994 116.3771 57.2288 40.8929 178.3645 124 M 4.2640 7.8900 119.0074 57.9842 32.2363 178.4124 125 I 4.1279 7.6965 119.6638 62.9499 37.4226 176.4445 126 K 3.9608 7.4605 118.8511 58.4341 32.1819 176.5690 127 G 4.0725 9.0223 112.5522 45.3790 0.0000 173.8190 128 K 4.3781 7.7379 118.3019 56.2753 32.7826 177.1510 129 T 4.4399 8.1136 112.2471 60.2049 71.5526 174.1294 130 P 4.2516 0.0000 0.0000 65.6127 31.1548 178.6380 131 E 3.8954 8.1088 117.6437 59.4499 29.7664 178.1718 132 E 3.9798 7.9589 118.4333 59.7639 29.3117 179.6911 133 I 3.8415 7.9005 119.0528 64.5466 37.5498 178.4334 134 R 4.2833 7.9659 115.6959 59.1373 29.4352 177.9241 135 T 3.9680 8.4411 118.1388 66.9394 68.0900 175.7832 136 T 4.4430 8.1268 110.5966 61.9150 69.5420 175.4933 137 F 4.9042 7.9161 115.5911 57.5916 43.7468 173.6582 138 N 4.1917 8.2620 118.7006 54.4764 37.0169 172.6808 139 I 4.5243 8.2911 118.8321 58.7916 40.4164 175.9092 140 K 4.0785 8.5796 124.9406 55.8151 32.9761 176.0721 141 N 4.3000 8.7652 123.1310 54.2843 37.7076 172.9592 142 D 4.7888 8.0665 123.9260 52.8266 39.9508 176.6621 143 F 4.6984 8.3585 119.3452 57.5831 39.7781 176.5014 144 T 4.1529 8.7598 116.0569 61.2233 70.7577 174.1020 145 P 4.3266 0.0000 0.0000 65.4407 31.2886 179.0839 146 E 3.9169 8.0820 117.3990 59.3078 29.5379 178.6755 147 E 3.8890 7.8940 118.3710 59.5706 29.5468 178.9783 148 E 3.2330 7.9637 119.0379 59.0866 29.5784 178.6064 149 E 3.7027 7.9100 118.8873 59.0646 29.7158 178.2050 150 E 3.7403 8.1121 119.4657 59.3237 29.5961 178.9397 151 V 3.4757 7.5665 118.0448 65.8931 31.6625 177.9169 152 R 3.6783 7.8686 118.4483 59.3672 29.8608 178.5247 153 R 2.8340 7.9487 118.0447 58.9420 29.9754 178.6240 154 E 3.6684 8.1980 118.4714 59.7495 29.3347 179.2291 155 N 4.3537 8.0846 114.9237 55.9024 38.6461 176.4743 156 Q 4.5064 7.5238 116.4906 55.9313 30.4508 177.0398 157 W 4.8352 8.3118 118.6924 57.0248 30.0514 175.8300 158 A 4.3286 7.7687 117.4297 52.8152 20.4318 175.6632 159 F 4.9809 7.8874 114.4708 57.5010 40.4991 175.8518 160 E 4.2981 9.1613 125.6075 56.3303 29.9635 174.4042 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 K 8.31 4.58 0.00 1.66 1.98 0.00 1.65 0.00 0.00 1.91 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 8.98 4.44 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 1.12 0.82 0.92 0.00 0.00 7 V 9.10 4.79 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 1.12 0.00 0.00 0.95 0.00 0.00 8 L 8.72 5.04 0.00 1.69 1.55 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.78 4.59 0.00 1.77 1.82 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.42 7.81 10 S 8.75 4.55 0.00 4.01 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 11 S 8.63 4.60 0.00 4.17 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 12 D 8.38 4.26 0.00 2.83 2.75 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 0.00 0.00 0.00 13 G 8.46 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 14 E 7.75 4.53 0.00 2.13 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 2.50 0.00 15 S 8.62 4.75 0.00 3.73 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 F 8.92 4.59 0.00 3.19 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 17 E 8.94 4.44 0.00 1.97 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 2.29 2.42 0.00 18 V 8.62 4.68 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 0.76 0.00 0.00 1.03 0.00 0.00 19 E 8.71 4.33 0.00 2.06 1.87 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 2.39 2.35 0.00 20 E 8.30 3.83 0.00 2.06 1.85 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 2.37 2.45 0.00 21 A 7.69 4.19 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 22 V 7.64 3.63 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 1.04 0.00 0.00 0.90 0.00 0.00 23 A 7.82 4.13 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 24 L 7.29 4.32 0.00 1.66 1.71 0.90 0.86 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 25 E 7.89 4.27 0.00 2.08 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 2.58 2.46 0.00 26 S 7.49 4.39 0.00 3.91 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 27 Q 8.59 4.11 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.70 0.00 0.00 0.00 0.00 0.00 2.44 2.46 0.00 28 T 7.71 3.99 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 1.08 0.00 0.00 29 I 7.68 3.93 2.04 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.77 0.89 0.00 0.00 30 A 8.10 4.07 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 31 H 7.96 4.28 0.00 3.25 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.82 4.82 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 33 V 7.70 4.37 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 0.82 0.00 0.00 1.01 0.00 0.00 34 E 7.51 4.18 0.00 1.97 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 2.32 2.27 0.00 35 D 8.37 4.54 0.00 2.77 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 36 D 6.82 4.52 0.00 2.85 3.01 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 37 C 8.32 4.36 0.00 3.02 3.01 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 38 V 7.79 3.70 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 1.09 0.00 0.00 0.93 0.00 0.00 39 D 8.25 4.39 0.00 2.69 2.75 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 0.00 0.00 0.00 40 N 8.16 4.85 0.00 2.70 2.79 0.00 0.00 7.09 7.13 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 41 G 8.17 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 42 V 8.38 3.81 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 0.82 0.00 0.00 0.92 0.00 0.00 43 P 0.00 4.90 0.00 2.11 2.13 0.00 3.72 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 44 L 8.80 4.87 0.00 1.88 1.80 1.01 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 5.39 0.00 2.20 2.20 0.00 3.60 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 46 N 8.31 4.68 0.00 1.49 1.96 0.00 0.00 6.92 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 47 V 7.34 4.27 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 1.04 0.00 0.00 1.28 0.00 0.00 48 T 8.35 4.27 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 1.29 0.00 0.00 49 S 8.74 4.33 0.00 4.45 3.97 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 50 K 8.12 4.01 0.00 1.91 1.83 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.57 7.81 51 I 7.54 3.77 2.02 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 1.53 0.77 0.93 0.00 0.00 52 L 8.22 3.78 0.00 1.63 1.43 0.76 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.79 4.00 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 54 K 7.86 4.13 0.00 2.06 2.10 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.68 1.55 7.81 55 V 8.10 3.75 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 1.08 0.00 0.00 0.99 0.00 0.00 56 I 8.04 3.72 2.04 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 1.36 0.61 0.96 0.00 0.00 57 E 8.49 3.97 0.00 2.19 2.33 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 2.70 2.57 0.00 58 Y 7.94 3.93 0.00 2.82 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 59 C 8.38 4.05 0.00 3.04 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 60 K 8.25 3.71 0.00 1.80 1.92 0.00 1.76 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.55 7.81 61 R 7.50 3.61 0.00 1.04 1.42 0.00 2.41 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.09 0.00 62 H 7.54 3.99 0.00 2.89 3.17 0.00 5.91 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.77 3.72 2.15 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 0.98 0.00 0.00 0.91 0.00 0.00 64 E 7.54 4.01 0.00 2.02 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 65 A 7.56 4.57 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 66 A 7.63 3.87 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 67 A 7.69 3.96 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 68 S 8.27 4.40 0.00 3.86 3.78 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 *80 D 8.52 4.67 0.00 2.74 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 81 D 8.06 4.36 0.00 2.76 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 8.00 4.63 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.93 4.01 0.00 1.94 1.74 0.78 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 84 K 8.23 4.24 0.00 1.85 1.93 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.57 7.81 85 A 7.57 4.01 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 86 W 8.29 4.21 0.00 3.47 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 87 D 9.06 4.51 0.00 2.97 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 88 A 7.76 4.02 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 89 D 8.20 4.34 0.00 2.94 2.52 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 90 F 7.93 4.01 0.00 2.09 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 91 M 7.51 4.00 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.79 0.00 92 K 7.22 4.23 0.00 1.83 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.48 7.81 93 I 6.83 4.48 1.69 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.46 0.70 0.00 0.00 94 D 7.98 4.60 0.00 2.76 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 95 Q 8.32 3.35 0.00 1.84 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 96 A 7.74 3.83 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 T 7.49 3.89 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 1.08 0.00 0.00 98 L 7.83 3.80 0.00 1.61 1.49 0.85 0.94 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 99 F 8.00 4.56 0.00 3.07 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 0.00 100 E 8.18 4.09 0.00 2.08 2.02 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 2.54 2.51 0.00 101 L 7.89 4.01 0.00 1.88 1.67 0.66 0.85 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 0.00 102 I 7.74 3.68 2.08 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 1.55 0.88 0.91 0.00 0.00 103 L 8.09 3.98 0.00 1.87 1.73 0.93 0.58 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 0.00 104 A 7.93 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 105 A 8.68 3.94 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 0.00 106 N 8.22 4.31 0.00 2.87 2.90 0.00 0.00 7.19 7.06 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 0.00 107 Y 8.13 4.46 0.00 3.10 3.15 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 0.00 108 L 8.07 4.55 0.00 1.63 1.41 0.89 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.30 4.99 0.00 2.62 2.75 0.00 0.00 6.75 7.94 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 0.00 110 I 7.78 4.26 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 1.21 0.57 1.06 0.00 0.00 111 K 8.45 3.94 0.00 1.84 1.84 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.56 7.81 112 N 8.21 4.38 0.00 3.02 2.95 0.00 0.00 6.79 6.74 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 0.00 113 L 7.92 3.69 0.00 1.52 1.75 0.16 0.45 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 0.00 114 L 7.78 4.29 0.00 1.79 1.63 0.94 1.57 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 0.00 115 D 8.05 4.56 0.00 2.83 2.72 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 0.00 116 L 7.40 4.56 0.00 1.95 1.93 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.61 3.85 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 1.18 0.00 0.00 118 C 7.81 4.03 0.00 3.22 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 0.00 119 Q 7.59 3.98 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 120 T 7.53 3.92 4.45 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 1.22 0.00 0.00 121 V 8.06 3.89 2.15 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 1.20 0.00 0.00 1.17 0.00 0.00 122 A 8.35 4.10 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 0.00 123 D 8.10 4.45 0.00 2.91 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 0.00 124 M 7.89 4.26 0.00 2.00 2.50 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.54 0.00 125 I 7.70 4.13 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.91 0.97 0.00 0.00 126 K 7.46 3.96 0.00 1.79 1.81 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.59 7.81 127 G 9.02 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 7.74 4.38 0.00 1.88 1.78 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.65 7.81 129 T 8.11 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 1.32 0.00 0.00 130 P 0.00 4.25 0.00 2.21 2.20 0.00 3.61 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 2.12 2.16 0.00 131 E 8.11 3.90 0.00 2.09 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 2.39 2.47 0.00 132 E 7.96 3.98 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 133 I 7.90 3.84 2.10 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 1.86 0.80 1.08 0.00 0.00 134 R 7.97 4.28 0.00 2.22 2.23 0.00 2.95 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.77 0.00 135 T 8.44 3.97 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 1.20 0.00 0.00 136 T 8.13 4.44 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 1.19 0.00 0.00 137 F 7.92 4.90 0.00 3.26 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 0.00 138 N 8.26 4.19 0.00 2.81 2.86 0.00 0.00 6.91 8.79 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 0.00 139 I 8.29 4.52 1.90 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.92 0.87 0.00 0.00 140 K 8.58 4.08 0.00 1.85 1.82 0.00 1.56 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.38 7.81 141 N 8.77 4.30 0.00 2.75 2.86 0.00 0.00 7.18 8.47 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 0.00 142 D 8.07 4.79 0.00 2.73 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 0.00 143 F 8.36 4.70 0.00 3.21 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 0.00 144 T 8.76 4.15 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 1.25 0.00 0.00 145 P 0.00 4.33 0.00 2.17 2.14 0.00 3.61 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 2.12 2.19 0.00 146 E 8.08 3.92 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 147 E 7.89 3.89 0.00 2.24 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 2.39 2.38 0.00 148 E 7.96 3.23 0.00 1.89 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 2.15 2.02 0.00 149 E 7.91 3.70 0.00 2.13 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 150 E 8.11 3.74 0.00 2.14 1.85 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 2.26 2.29 0.00 151 V 7.57 3.48 1.74 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 0.92 0.00 0.00 0.80 0.00 0.00 152 R 7.87 3.68 0.00 1.85 1.81 0.00 3.02 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 153 R 7.95 2.83 0.00 1.66 1.39 0.00 3.04 0.00 0.00 2.89 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.62 0.00 154 E 8.20 3.67 0.00 2.17 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 0.00 2.30 2.42 0.00 155 N 8.08 4.35 0.00 2.78 2.87 0.00 0.00 7.02 8.43 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 0.00 156 Q 7.52 4.51 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 157 W 8.31 4.84 0.00 3.33 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 0.00 158 A 7.77 4.33 0.48 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 0.00 0.00 0.00 0.00 0.00 0.00 159 F 7.89 4.98 0.00 3.07 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 0.00 160 E 9.16 4.30 0.00 2.05 2.34 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 2.17 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.