NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4928 8.1627 118.3387 54.7097 33.4807 174.0136 2 Q 3.3658 8.4848 121.8691 55.9050 28.9104 174.3063 3 K 4.2002 9.5282 131.3284 58.8342 33.0308 176.1156 4 A 4.6264 7.5820 119.4948 50.6387 22.9370 174.7566 5 V 4.3664 8.2807 120.0890 62.2520 31.5212 176.0093 6 V 4.1598 8.4262 122.1231 62.8182 32.9300 176.7843 7 M 4.8909 7.8252 119.7226 53.6192 36.2628 175.0271 8 D 4.9777 8.5627 122.6596 51.3472 42.3853 176.6341 9 E 3.8847 8.7885 118.7407 59.9000 29.1837 178.7317 10 Q 4.0041 8.1769 117.0747 58.7854 28.7762 178.3236 11 A 4.0033 8.0944 121.4342 55.1723 18.3868 179.7733 12 I 3.6452 8.0645 118.6665 64.4921 37.1550 178.6979 13 R 3.8921 8.1133 119.5639 59.5506 29.8780 178.8540 14 R 3.9577 8.4733 118.0827 58.8691 30.0144 178.9843 15 A 3.9969 8.2872 121.0564 55.1361 18.4196 179.7165 16 L 3.9554 8.0841 117.5971 58.3061 41.6002 179.8372 17 T 3.8720 8.0761 115.7359 66.5959 68.3160 176.7163 18 R 3.9500 7.9026 120.2778 59.4675 30.1764 178.4863 19 I 3.7517 7.8899 119.4421 64.2600 37.1175 178.0717 20 A 3.8392 8.0635 121.5079 55.7410 18.2288 179.5187 21 H 4.1439 7.9906 114.2707 58.9553 28.7133 178.0100 22 E 4.1250 8.6541 121.0409 59.3443 29.1687 179.4018 23 I 3.5090 8.0523 120.2815 64.3033 37.0984 178.5164 24 I 3.6992 7.5881 120.4687 64.3255 36.9549 177.8329 25 E 3.9458 8.1841 120.0232 59.7109 29.3188 179.2529 26 R 4.1047 8.2241 116.6611 58.2810 30.1798 177.8003 27 N 4.8159 7.7007 113.9723 51.3237 40.3782 174.7609 28 K 3.6327 9.0987 119.2652 56.9520 29.9579 173.8775 29 G 3.9285 8.8024 104.4612 45.3098 0.0000 172.1072 30 I 4.3409 7.9840 108.6653 60.3617 37.8247 175.0907 31 D 4.4934 7.9062 120.9826 56.0133 41.2123 176.9298 32 G 3.9180 8.8514 110.7369 45.7924 0.0000 172.3204 33 C 5.1320 7.5223 116.4490 58.3058 30.1236 173.5139 34 V 4.3246 8.7752 121.3665 61.1677 35.1008 173.9272 35 L 4.9183 8.7294 127.5849 53.3423 43.5696 175.5831 36 V 4.6204 8.8768 125.0079 60.9766 33.8937 174.8290 37 G 4.1104 8.9434 116.2891 45.9460 0.0000 171.5558 38 I 4.8364 8.6230 124.2200 60.0878 39.4224 177.4550 39 K 4.0563 8.9653 128.8529 55.6826 31.7616 176.0038 40 T 3.6921 8.1618 114.2616 68.0076 68.0204 176.7373 41 R 4.2945 8.0159 118.9603 59.2373 30.2957 179.2825 42 G 3.8949 8.0144 106.5063 47.3268 0.0000 175.6410 43 I 3.6997 7.8227 122.1528 64.3724 37.1147 178.1833 44 Y 4.2443 7.7332 117.5585 60.9406 37.5591 178.7311 45 L 4.0204 8.3474 119.9385 57.7734 41.7275 179.2303 46 A 4.0031 8.4486 121.1269 55.3224 18.1978 179.9370 47 R 3.8747 8.3473 116.7444 59.4293 30.0761 179.4670 48 R 3.9283 8.1580 117.8420 59.1616 30.0024 179.0630 49 L 3.9024 8.3003 118.8451 57.8201 41.6082 179.4050 50 A 3.8957 8.1481 120.7664 55.0759 18.3651 179.2499 51 E 3.8386 8.3989 117.8989 59.5541 29.6229 179.3017 52 R 3.9132 8.1707 118.1992 59.2380 30.0479 179.1091 53 I 3.6055 8.3718 119.9882 64.3700 37.0842 178.0916 54 E 4.6153 8.5933 121.8193 58.8621 29.2503 178.8603 55 Q 4.0238 7.7499 116.0973 58.9624 28.5965 178.5029 56 I 3.9027 7.2150 121.0456 64.0665 37.4390 177.4444 57 E 4.3926 8.6133 118.1034 55.7029 29.5497 177.9837 58 G 4.0060 8.5423 106.7399 45.3254 0.0000 172.9829 59 A 4.6840 7.2204 122.5535 49.7721 21.2495 176.6940 60 S 4.4930 8.4593 117.0142 57.8518 63.3135 173.3918 61 V 4.3270 7.8268 124.2301 60.0285 34.0590 173.4628 62 P 4.1828 0.0000 0.0000 62.5108 32.3078 175.1884 63 V 4.8197 8.4203 123.7059 61.1191 34.0054 174.7436 64 G 4.4273 9.9261 115.1069 44.5836 0.0000 171.5090 65 E 5.2791 8.4605 118.3788 54.1968 33.0505 175.5066 66 L 4.5347 8.7299 124.9088 53.5244 45.3852 174.8280 67 D 4.8667 8.8856 126.8978 52.7508 40.7780 174.0354 68 I 4.4125 8.1004 124.1800 59.1829 38.6465 175.4503 69 T 4.6354 8.3477 115.1467 59.6311 71.2350 173.3700 70 L 4.7814 8.2478 124.1311 52.6624 44.5198 175.3475 71 Y 4.2405 8.4653 121.4104 59.0183 39.2511 175.0144 72 R 3.3587 7.6692 123.5534 56.8915 28.0786 176.0884 *91 V 3.8359 7.5179 114.5835 61.8153 33.3260 176.2755 92 P 4.2650 0.0000 0.0000 61.3810 30.6410 179.0057 93 F 3.3964 8.5544 122.0875 57.5630 40.0449 173.0616 94 P 4.4860 0.0000 0.0000 64.2966 32.0174 174.9052 95 V 4.5879 8.1992 119.2812 64.4567 38.8060 173.7697 96 T 4.2189 7.8849 116.8689 65.0686 68.5594 174.2099 97 E 4.2380 9.0702 124.5433 57.1956 27.8827 174.1046 98 R 4.7484 7.3044 117.1522 54.4031 34.1363 174.7799 99 N 5.0888 9.2715 120.1573 52.5594 39.9841 174.1688 100 V 4.3905 8.6432 128.4492 62.1973 32.9157 175.1190 101 I 4.7105 9.1780 131.4873 59.6481 38.0257 175.3492 102 L 4.6488 8.8100 128.3720 54.6879 43.0126 176.6592 103 V 4.9924 8.9094 122.3303 61.3226 34.6650 173.8082 104 D 5.1470 9.0611 126.2998 52.6475 44.9161 175.5674 105 D 4.4848 8.8332 122.2442 55.6886 41.0229 176.3765 106 V 4.8940 7.6150 117.4889 60.7975 34.7943 174.2438 107 L 4.5736 9.2639 130.3953 54.7431 43.9347 174.2139 108 F 5.1000 9.1030 125.4247 58.7382 39.5095 177.0152 109 T 3.8175 8.1848 113.0686 62.2858 69.5508 176.6727 110 G 3.9890 8.2923 109.5161 45.4735 0.0000 175.1742 111 R 3.9350 7.9268 119.7326 59.4236 29.8703 178.9894 112 T 3.8875 7.8405 115.1483 66.6586 68.4796 176.7103 113 V 3.5951 7.7666 119.6936 65.9097 31.4508 177.8437 114 R 3.8562 7.9485 117.8718 59.3375 29.9044 178.4463 115 A 3.9809 7.9760 119.9371 55.0577 18.4296 179.3672 116 A 3.9677 8.2912 119.6609 55.7207 18.3753 179.8291 117 M 4.1018 8.2798 117.2946 58.2908 31.7348 178.7302 118 D 4.2905 7.6024 118.4187 57.2363 41.3664 178.1253 119 A 4.1270 8.0309 121.1897 55.3667 18.4070 179.6214 120 V 3.5543 7.8056 116.4831 66.7176 31.6990 178.1442 121 M 4.5514 8.0187 118.9856 57.4144 31.5295 177.9648 122 D 4.5638 7.9402 117.9141 55.8170 41.2429 177.4108 123 L 4.5736 8.6540 117.8478 54.6704 42.6954 176.7459 124 G 3.8454 6.2370 105.3709 44.8849 0.0000 171.0670 125 R 4.8184 7.3973 120.1310 53.6500 30.2205 174.2810 126 P 5.5948 0.0000 0.0000 61.9199 32.4384 177.2887 127 A 4.3473 9.0685 123.6477 54.7427 19.0150 177.4936 128 R 4.4244 7.0596 107.8703 56.0999 33.2878 173.7129 129 I 5.1338 8.4427 119.4327 59.7659 40.6429 174.9494 130 Q 4.9868 9.1453 124.5373 54.0221 33.2997 174.1099 131 L 5.2564 9.1825 120.9852 53.6700 45.7616 174.5822 132 A 5.5884 9.4606 128.0400 50.3912 21.9998 175.2359 133 V 5.5862 8.7175 114.2417 58.7512 36.2612 176.4894 134 L 4.1356 8.8281 126.1476 57.7750 43.1578 176.9699 135 V 5.0753 8.2784 117.3986 59.8591 35.4220 173.7440 136 D 5.3486 8.8034 122.6266 52.5011 43.1024 175.9263 137 R 5.1559 8.0899 122.3424 55.0538 30.3613 178.2803 138 G 3.8365 8.8063 110.2496 46.7640 0.0000 172.8707 139 H 4.1257 8.5288 111.4489 56.8072 25.7104 175.3895 140 R 4.8220 7.9570 113.5845 56.0572 30.1137 175.9402 141 E 4.6685 8.8435 117.9858 55.9527 30.6605 175.9120 142 L 4.7891 7.3814 117.6221 52.4056 45.9584 175.0334 143 P 4.6092 0.0000 0.0000 62.9654 30.4830 176.5270 144 I 4.5011 7.5238 118.3225 60.5687 39.5165 175.8964 145 R 4.6708 8.2608 122.6320 54.0699 33.8044 174.8261 146 A 4.3926 8.3385 123.3013 51.9984 19.5377 177.6064 147 D 4.3736 8.6110 121.7062 56.2447 41.9275 177.2329 148 F 4.9199 8.1227 116.6296 55.5016 42.5764 174.4125 149 V 4.8318 8.5416 122.9203 61.2619 33.7640 175.4522 150 G 3.8188 9.2768 116.3080 48.8349 0.0000 173.7769 151 K 4.7041 8.2216 121.9140 54.6716 36.2828 173.9430 152 N 5.0317 8.8055 124.9136 52.5927 39.7497 174.5802 153 V 4.3011 8.7771 125.0273 60.2709 33.7446 173.0527 154 P 4.9259 0.0000 0.0000 62.8980 31.8682 176.1745 155 T 4.8019 8.2914 112.2103 60.3598 71.8096 173.2363 156 S 4.7270 8.8933 117.7676 56.9012 64.7364 175.3905 157 R 4.0914 8.3593 119.1678 57.9579 29.9689 178.0253 158 S 4.3732 7.4816 110.8860 59.8686 63.7330 174.4481 159 E 4.5947 7.4883 119.8521 55.8776 30.5407 175.9520 160 L 4.7173 9.1787 119.5483 53.3838 46.5465 175.5925 161 I 4.7351 8.1186 121.8409 59.7760 39.2873 175.2735 162 V 4.2718 8.7406 126.2960 61.0950 34.1293 174.0771 163 V 4.7267 8.4744 127.9744 61.2200 33.3889 174.3655 164 E 5.5151 9.1942 127.5871 53.9365 32.3788 174.8110 165 L 5.1609 8.5526 124.5114 52.5183 44.2117 177.8332 166 S 4.3389 9.4975 118.5927 61.5112 62.8615 176.6029 167 E 3.8451 7.8122 118.8275 57.9766 29.3053 177.5556 168 V 4.2072 7.3392 115.4620 62.8409 34.0123 175.4191 169 D 4.7238 8.6491 117.3994 53.2569 41.4341 177.5931 170 G 4.0483 8.5794 107.2700 45.6129 0.0000 173.6570 171 I 4.5233 7.1124 109.9993 59.6960 40.8169 173.9589 172 D 4.9914 8.4197 124.4641 53.6764 41.8781 175.7444 173 Q 4.6631 9.1044 121.8415 55.2814 33.5305 172.5234 174 V 4.9957 8.6600 126.7880 61.2358 34.1841 174.4221 175 S 5.0505 8.7841 120.8251 57.1345 66.9957 172.8602 176 I 4.7286 8.8139 123.1521 60.8695 38.7685 174.6548 177 H 5.2028 9.6756 123.3048 53.4329 32.7118 173.5496 178 E 4.6427 8.1504 120.2398 55.2850 27.5257 176.6454 179 K 4.1491 7.6669 122.3442 56.6984 32.3226 177.6390 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 1 M 8.16 4.49 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.54 0.00 2 Q 8.48 3.37 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.06 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 3 K 9.53 4.20 0.00 1.72 1.91 0.00 1.85 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.37 7.81 4 A 7.58 4.63 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 5 V 8.28 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 0.86 0.00 0.00 0.96 0.00 0.00 6 V 8.43 4.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.97 0.00 0.00 7 M 7.83 4.89 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.52 0.00 8 D 8.56 4.98 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.79 3.88 0.00 2.16 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 2.38 2.41 0.00 10 Q 8.18 4.00 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 11 A 8.09 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.06 3.65 2.03 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 1.41 0.68 0.92 0.00 0.00 13 R 8.11 3.89 0.00 1.95 2.08 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 14 R 8.47 3.96 0.00 1.88 1.97 0.00 3.18 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 15 A 8.29 4.00 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 16 L 8.08 3.96 0.00 1.71 1.72 0.93 0.60 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 17 T 8.08 3.87 4.30 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 1.27 0.00 0.00 18 R 7.90 3.95 0.00 1.97 2.11 0.00 3.14 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 19 I 7.89 3.75 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.58 0.75 0.00 0.00 20 A 8.06 3.84 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 21 H 7.99 4.14 0.00 3.33 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.65 4.12 0.00 2.34 2.44 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 2.45 2.59 0.00 23 I 8.05 3.51 1.77 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 -0.36 0.74 0.00 0.00 24 I 7.59 3.70 1.87 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 1.36 0.86 0.98 0.00 0.00 25 E 8.18 3.95 0.00 2.20 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 0.00 2.35 2.39 0.00 26 R 8.22 4.10 0.00 2.06 2.06 0.00 3.02 0.00 0.00 3.11 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.05 0.00 27 N 7.70 4.82 0.00 2.86 2.84 0.00 0.00 7.16 7.50 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 28 K 9.10 3.63 0.00 1.87 1.82 0.00 1.67 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.38 7.81 29 G 8.80 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 30 I 7.98 4.34 1.82 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 1.37 0.53 0.86 0.00 0.00 31 D 7.91 4.49 0.00 2.68 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 32 G 8.85 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 0.00 0.00 0.00 33 C 7.52 5.13 0.00 3.02 2.82 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 0.00 0.00 0.00 34 V 8.78 4.32 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 0.96 0.00 0.00 0.78 0.00 0.00 35 L 8.73 4.92 0.00 1.73 1.57 0.94 0.77 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 36 V 8.88 4.62 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 1.08 0.00 0.00 1.08 0.00 0.00 37 G 8.94 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 38 I 8.62 4.84 1.89 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 1.24 1.50 0.92 0.00 0.00 39 K 8.97 4.06 0.00 1.97 1.84 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.36 1.40 7.81 40 T 8.16 3.69 4.30 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 1.34 0.00 0.00 41 R 8.02 4.29 0.00 1.91 2.06 0.00 3.17 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.79 0.00 42 G 8.01 3.89 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 0.00 0.00 0.00 43 I 7.82 3.70 1.73 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.78 0.70 0.00 0.00 44 Y 7.73 4.24 0.00 3.19 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 45 L 8.35 4.02 0.00 1.91 1.74 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.45 4.00 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 47 R 8.35 3.87 0.00 2.10 2.04 0.00 3.20 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 48 R 8.16 3.93 0.00 2.05 1.99 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.01 0.00 49 L 8.30 3.90 0.00 1.81 1.64 0.85 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 50 A 8.15 3.90 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 51 E 8.40 3.84 0.00 2.04 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 0.00 2.30 2.35 0.00 52 R 8.17 3.91 0.00 2.08 1.91 0.00 3.16 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 70 L 8.25 4.78 0.00 1.65 1.64 0.96 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 71 Y 8.47 4.24 0.00 2.85 2.90 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 72 R 7.67 3.36 0.00 1.78 1.77 0.00 3.21 0.00 0.00 2.63 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.30 0.00 *91 V 7.52 3.84 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 0.56 0.00 0.00 0.90 0.00 0.00 92 P 0.00 4.26 0.00 2.00 1.26 0.00 3.64 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 93 F 8.55 3.40 0.00 3.11 3.43 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 0.00 94 P 0.00 4.49 0.00 2.08 2.10 0.00 3.91 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 95 V 8.20 4.59 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 0.96 0.00 0.00 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2.78 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.83 4.48 0.00 2.79 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.62 4.89 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 0.93 0.00 0.00 107 L 9.26 4.57 0.00 1.80 1.57 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 108 F 9.10 5.10 0.00 2.95 2.43 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 0.00 109 T 8.18 3.82 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 0.29 0.00 0.00 110 G 8.29 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.93 3.93 0.00 1.85 1.97 0.00 3.05 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 112 T 7.84 3.89 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 113 V 7.77 3.60 2.23 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 1.13 0.00 0.00 0.96 0.00 0.00 114 R 7.95 3.86 0.00 1.93 2.03 0.00 3.14 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 115 A 7.98 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 0.00 116 A 8.29 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 117 M 8.28 4.10 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.59 0.00 118 D 7.60 4.29 0.00 2.84 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 0.00 119 A 8.03 4.13 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 0.00 120 V 7.81 3.55 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 1.05 0.00 0.00 0.99 0.00 0.00 121 M 8.02 4.55 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.91 0.00 122 D 7.94 4.56 0.00 2.86 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 0.00 123 L 8.65 4.57 0.00 1.75 1.69 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 124 G 6.24 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 0.00 0.00 0.00 125 R 7.40 4.82 0.00 1.91 1.82 0.00 3.27 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 1.51 1.68 0.00 126 P 0.00 5.59 0.00 2.45 2.19 0.00 3.93 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.84 0.00 127 A 9.07 4.35 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 0.00 128 R 7.06 4.42 0.00 1.83 2.01 0.00 2.74 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 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3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 146 A 8.34 4.39 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 0.00 147 D 8.61 4.37 0.00 2.41 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 0.00 0.00 0.00 148 F 8.12 4.92 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 0.00 149 V 8.54 4.83 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 0.86 0.00 0.00 0.96 0.00 0.00 150 G 9.28 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 151 K 8.22 4.70 0.00 1.83 1.61 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.43 7.81 152 N 8.81 5.03 0.00 2.65 2.75 0.00 0.00 6.74 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 0.00 153 V 8.78 4.30 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 0.97 0.00 0.00 0.93 0.00 0.00 154 P 0.00 4.93 0.00 1.98 1.96 0.00 3.71 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 2.02 2.08 0.00 155 T 8.29 4.80 4.18 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 1.20 0.00 0.00 156 S 8.89 4.73 0.00 4.02 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 0.00 157 R 8.36 4.09 0.00 1.83 2.04 0.00 3.22 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 158 S 7.48 4.37 0.00 4.02 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 E 7.49 4.59 0.00 1.92 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 2.49 2.27 0.00 160 L 9.18 4.72 0.00 1.45 1.42 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 161 I 8.12 4.74 1.76 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 1.06 0.70 0.87 0.00 0.00 162 V 8.74 4.27 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 0.86 0.00 0.00 0.62 0.00 0.00 163 V 8.47 4.73 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 0.88 0.00 0.00 0.97 0.00 0.00 164 E 9.19 5.52 0.00 1.99 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 2.20 2.08 0.00 165 L 8.55 5.16 0.00 1.52 1.67 1.01 0.89 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 0.00 166 S 9.50 4.34 0.00 3.89 4.10 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 0.00 167 E 7.81 3.85 0.00 1.16 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 1.97 2.10 0.00 168 V 7.34 4.21 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 0.91 0.00 0.00 0.85 0.00 0.00 169 D 8.65 4.72 0.00 2.63 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 0.00 170 G 8.58 4.05 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 0.00 0.00 0.00 171 I 7.11 4.52 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.44 0.90 0.00 0.00 172 D 8.42 4.99 0.00 2.57 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 0.00 173 Q 9.10 4.66 0.00 2.02 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.18 2.37 0.00 174 V 8.66 5.00 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 0.93 0.00 0.00 0.93 0.00 0.00 175 S 8.78 5.05 0.00 4.06 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 0.00 176 I 8.81 4.73 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.52 0.94 0.00 0.00 177 H 9.68 5.20 0.00 3.00 3.15 0.00 5.78 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 E 8.15 4.64 0.00 1.84 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 2.39 0.00 179 K 7.67 4.15 0.00 1.74 1.71 0.00 1.80 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.45 1.36 7.81 * Residues marked with a * may have inaccurate shift predictions.