NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4251 8.2649 122.4688 51.6672 20.0020 176.6326 2 D 4.4006 8.7282 121.2027 54.1857 42.7319 173.4177 3 T 5.1704 8.5027 116.4999 61.8216 72.3513 172.4897 4 L 5.4180 9.4793 128.7177 53.5153 44.3023 174.5513 5 L 4.9059 8.8945 129.2553 53.9093 44.1499 174.9859 6 I 4.7462 8.8125 127.7660 59.8523 39.2357 174.5352 7 L 4.6796 9.2861 131.5674 53.7480 43.2002 174.9608 8 G 5.0595 8.5302 114.2451 44.8753 0.0000 168.3029 9 D 5.8500 8.8736 120.0238 51.7950 40.5136 177.8333 10 S 4.4150 8.9503 109.9890 61.9321 62.6334 176.4666 11 L 4.3193 8.4555 121.6135 57.1459 41.3872 178.5737 12 S 4.6416 8.1872 112.7385 59.5344 64.4036 175.7570 13 A 4.0751 8.4496 123.3164 52.0392 18.5115 178.4443 14 G 3.8040 8.2251 105.4292 46.3108 0.0000 172.1666 15 Y 4.4171 8.4617 124.6383 56.7191 39.6976 175.2964 16 R 3.6590 8.1499 127.5516 56.5672 27.6476 175.5748 17 M 4.7272 7.4921 111.6889 53.7885 34.3127 174.2480 18 S 4.3418 8.3413 114.1114 57.5581 64.5162 175.0980 19 A 3.9508 8.4750 123.9607 55.2068 18.2299 180.1324 20 S 4.1280 7.4865 109.0621 60.5156 63.1114 175.1014 21 A 4.2604 7.5614 122.6864 52.9852 19.5375 177.5731 22 A 4.1809 7.5381 119.5609 51.2596 19.1451 178.4349 23 W 4.2730 8.7575 118.6848 59.5320 27.6773 177.0300 24 P 3.7374 0.0000 0.0000 64.9462 30.6193 178.3707 25 A 3.8784 7.6823 119.8150 55.0307 18.2779 179.7189 26 L 3.9194 7.7089 117.1179 57.6793 41.6591 179.3187 27 L 3.6259 8.1965 120.8425 57.8892 41.7552 178.4564 28 N 4.2977 7.9551 116.1495 56.8681 38.9540 176.1962 29 D 4.5021 7.8564 119.1926 57.3235 40.9683 178.4593 30 K 4.1610 7.8068 119.1944 57.7938 32.4139 176.6655 31 W 4.7953 7.8880 118.4681 55.1801 30.8509 175.5563 *33 S 4.4543 8.0051 112.6622 58.2978 63.5128 174.4514 34 K 4.1957 7.9687 121.1950 58.4472 32.6173 177.3224 35 T 4.9557 7.6707 114.0845 61.7898 72.1215 173.6093 36 S 4.5812 9.3792 122.3186 57.5754 64.0536 172.7652 37 V 4.7946 8.5280 127.1131 61.4248 32.9540 174.7887 38 V 4.0404 8.7055 129.7330 61.5058 32.9194 174.4295 39 N 4.6147 8.7346 128.0650 51.8711 37.9024 174.8462 40 A 4.6172 8.1706 134.0190 51.3285 17.4984 176.7234 41 S 5.0950 7.5946 116.5287 57.1197 66.2903 175.9517 42 I 4.7061 8.2664 122.1218 59.4759 41.1888 175.3554 43 S 4.5294 8.8167 123.1796 60.0129 63.2935 174.5724 44 G 4.1415 9.0290 112.7191 45.5333 0.0000 173.7785 45 D 5.1685 8.1987 118.4709 54.4480 41.4823 176.6418 46 T 4.6543 8.4298 113.7309 60.0589 72.3325 175.8357 47 S 4.1453 8.9861 116.3626 61.7001 62.6697 176.5375 48 Q 3.8280 7.8659 122.4377 59.1474 28.9157 178.1054 49 Q 4.1565 8.0905 118.6844 58.7417 28.6552 179.2319 50 G 3.5452 8.1295 106.8855 47.7810 0.0000 175.5230 51 L 3.9574 8.1876 123.3427 57.7687 41.8179 178.8857 52 A 4.0485 8.0128 119.8133 54.8615 18.4814 179.1104 53 R 4.2139 7.9157 115.6567 57.4967 30.3650 178.4766 54 L 3.9240 7.4946 120.6004 57.7961 42.0204 176.8236 55 P 4.2201 0.0000 0.0000 65.8592 31.3089 178.2991 56 A 3.9981 7.9713 118.5872 55.1362 18.2907 179.4754 57 L 4.0059 7.7748 117.1668 57.9038 41.6481 179.7738 58 L 3.9847 8.2218 119.1777 57.8293 41.4083 179.6022 59 K 3.9039 7.8114 118.0937 59.1675 32.1158 178.1872 60 Q 4.0770 8.0002 119.1372 58.6437 29.2894 176.7161 61 H 4.5823 8.4525 114.9939 54.9409 30.5925 175.0445 62 Q 3.2877 8.1345 119.8685 56.1769 26.5326 172.2994 63 P 4.5196 0.0000 0.0000 62.8210 32.9097 176.7783 64 R 3.9311 8.3312 120.1382 57.5818 31.4131 176.1783 65 W 5.5644 7.8557 117.1701 54.7036 33.7389 174.7935 66 V 4.8720 8.9550 123.0806 61.0731 34.0690 174.1057 67 L 4.8774 9.2214 132.1212 54.5122 43.3908 175.4644 68 V 4.6035 9.0998 128.0439 61.7209 33.1141 174.2626 69 E 5.3358 9.3553 129.7371 54.0863 29.7775 174.1186 70 L 5.0856 8.5332 121.7431 53.1031 46.5610 175.2889 71 G 4.5705 8.9104 109.9136 47.1459 0.0000 176.6689 72 G 3.7123 8.4874 108.2982 48.5301 0.0000 174.0637 73 N 4.6585 8.1816 115.7453 54.9145 39.0542 176.4541 74 D 5.0481 8.2408 118.7396 54.5421 40.3698 177.6709 75 G 4.0182 8.5601 111.2024 46.2316 0.0000 175.2242 76 L 4.8747 7.6472 117.3408 54.5172 40.0532 176.5196 77 R 4.4216 7.5489 111.8796 56.2227 32.9123 176.6990 78 G 3.6739 8.3698 105.2688 45.3946 0.0000 173.2742 79 F 5.0970 7.6716 116.9357 55.6029 41.3356 175.1914 80 Q 4.7876 8.4399 122.5784 53.6425 31.0310 174.7077 81 P 4.2903 0.0000 0.0000 66.2565 31.1555 178.6669 82 Q 3.9395 8.1087 117.6173 59.2213 28.9679 178.2569 83 Q 3.9407 8.3053 119.1653 59.3821 28.8023 178.7065 84 T 3.7314 7.9346 116.2268 66.5405 68.4749 176.0329 85 E 3.6898 8.3201 121.3289 59.2824 29.7085 178.6839 86 Q 3.9369 7.9928 119.5515 59.3655 29.0868 178.2205 87 T 3.7771 8.0073 116.9431 66.7833 68.5464 176.5982 88 L 3.9240 7.9256 120.7825 57.6073 41.5266 179.5601 89 R 3.7462 7.9440 118.7897 59.4322 29.9618 178.3726 90 Q 4.3978 8.0696 120.6453 58.6171 28.9815 178.2359 91 I 3.6345 7.5700 120.8276 64.4772 37.1525 178.3518 92 L 3.7803 7.6685 119.6264 57.6756 41.1007 179.7053 93 Q 4.0808 7.8959 117.8794 59.2511 28.5265 178.5097 94 D 4.3806 8.0210 118.5284 57.2780 41.0859 178.9356 95 V 3.7286 7.9321 118.6737 66.0927 31.5972 178.2800 96 K 4.1398 8.2674 118.0783 59.4729 31.6727 179.2136 97 A 4.0700 8.4081 120.1880 54.2811 18.2194 178.3645 98 A 4.4461 7.5554 117.8659 51.1372 19.3117 176.5633 99 N 4.1116 8.1927 114.7236 55.5425 36.7658 174.0027 100 A 4.8682 7.8637 117.0425 50.0689 22.5275 176.6773 101 E 4.5185 9.2760 120.9713 54.6719 30.7275 174.2686 102 P 4.8719 0.0000 0.0000 62.5293 32.8601 175.8289 103 L 4.7232 9.3234 123.4315 52.9871 44.3711 175.0960 104 L 4.7625 8.5993 127.0313 54.2015 43.7394 174.8031 105 M 5.0915 8.4409 125.9420 53.5685 34.0617 175.2563 106 Q 3.6644 8.9867 128.1727 56.1293 29.8560 175.2342 107 I 3.2422 6.1445 125.8435 58.8835 40.0993 174.9072 108 R 4.5696 6.4489 124.7515 54.3803 32.9556 174.7374 109 L 4.5099 8.1605 123.3972 52.4177 42.0766 174.7146 110 P 4.2672 0.0000 0.0000 62.8517 31.8879 177.8478 111 A 4.2381 8.4659 123.9765 55.1465 18.5186 179.2330 112 N 4.7798 7.3027 110.5080 53.6472 36.6873 175.2858 113 Y 4.6983 8.0782 115.0654 57.7146 39.5994 177.6151 114 G 4.0939 8.0776 109.0863 44.7719 0.0000 173.5372 115 R 4.1376 9.2380 123.2994 57.3578 29.0181 180.7604 116 R 3.4663 8.6230 127.3470 59.4471 32.1789 174.9633 117 Y 4.2760 7.8629 117.6661 60.7985 38.9950 177.1518 118 N 4.1149 8.3015 117.4036 56.3466 38.6612 177.2579 119 E 4.0353 8.2204 119.2631 59.2782 29.3507 179.2165 120 A 3.9576 7.6506 119.4014 55.0065 18.8812 179.1586 121 F 4.0840 8.4029 119.5234 61.7317 39.1770 177.5841 122 S 4.1931 8.7431 114.7898 61.4931 62.4965 176.5828 123 A 3.8367 8.0806 123.3220 54.5621 17.9711 179.5805 124 I 3.4258 7.3026 118.4579 64.7388 37.1601 177.9179 125 Y 3.8898 7.0599 116.8003 60.7213 37.7579 177.1041 126 P 4.3204 0.0000 0.0000 65.2431 31.3566 178.4863 127 K 3.8676 7.8296 118.1675 59.6695 32.1205 178.8826 128 L 4.1263 8.0729 118.9520 57.7767 41.4941 179.2453 129 A 4.0728 8.4626 121.1972 55.0659 18.2662 179.7087 130 K 3.8932 8.1283 117.9740 59.5506 32.1685 178.4438 131 E 3.7887 8.1946 119.0098 59.0271 29.4511 177.4910 132 F 4.3994 8.5204 113.7280 56.3804 39.9288 174.8893 133 D 4.4145 7.8703 119.6560 55.9176 39.6422 172.2651 134 V 4.7072 7.8185 110.5533 58.5544 36.1699 175.7207 135 P 4.3521 0.0000 0.0000 62.9003 32.4718 175.5419 136 L 4.7644 8.4231 125.7892 53.0349 43.3224 175.5845 137 L 4.3620 9.1017 126.9693 53.7900 42.9070 175.3866 138 P 4.8197 0.0000 0.0000 62.2674 32.8865 176.1407 139 F 4.6201 8.7982 123.8735 57.4756 39.0041 176.0286 140 F 2.6980 8.2239 125.2829 59.6444 37.1676 176.9080 141 M 3.3023 5.8600 117.9923 57.0270 31.1434 178.0745 142 E 3.8084 7.0036 118.6700 59.4004 29.4441 178.7157 143 E 4.1256 7.6459 118.5447 58.9766 29.5412 179.4360 144 V 3.7829 7.2716 118.0984 66.0748 31.4461 177.4174 145 Y 4.4041 7.5822 115.9781 61.0234 37.7777 178.0547 146 L 4.4158 7.4677 116.2509 55.0129 42.7357 177.6029 147 K 4.1660 7.7965 119.5256 52.8001 32.6657 174.4238 148 P 4.1225 0.0000 0.0000 65.5138 31.5606 178.5369 149 Q 4.1537 7.8897 113.6861 57.7133 28.6710 176.5444 150 W 5.1261 8.8230 118.8603 56.7875 29.8029 174.9856 151 M 4.9114 7.8414 118.7378 53.4540 33.5608 176.0626 152 Q 4.4369 8.9626 122.2673 55.0909 29.9355 176.8145 153 D 4.4074 8.8690 119.0364 57.9046 40.7102 178.2200 154 D 4.4018 8.2158 115.6711 53.7051 39.5834 176.5914 155 G 3.9867 8.2287 107.7981 46.5579 0.0000 173.8339 156 I 4.2904 9.0340 119.5573 62.4961 39.3523 175.6891 157 H 5.0892 7.9549 116.7833 53.4552 30.8552 172.8811 158 P 5.0091 0.0000 0.0000 62.9960 32.3573 175.8030 159 N 4.8324 8.7024 120.3002 52.0292 39.5819 175.5247 160 R 4.0657 8.7671 116.6192 59.9351 29.8429 178.8341 161 D 4.3861 8.2249 116.2070 57.2113 41.0721 178.2793 162 A 2.9773 7.9007 121.0413 54.1373 18.3309 179.3415 163 Q 3.9199 7.7657 116.8541 58.9125 28.8444 177.5529 164 P 4.1429 0.0000 0.0000 65.5124 31.3626 178.2868 165 F 3.9073 7.6817 118.6494 61.3562 39.2546 176.9894 166 I 3.0454 7.4932 119.0396 63.9450 36.6677 178.2027 167 A 3.8573 8.0858 121.9695 55.1505 18.2252 179.2153 168 D 4.0472 7.8025 116.3965 57.0603 41.3185 178.0704 169 W 3.7513 7.8565 129.2195 60.7692 30.6023 177.8688 170 M 3.9049 8.2561 118.6671 58.0317 31.1901 178.4669 171 A 3.8449 7.8248 121.0511 55.1976 18.3239 179.8834 172 K 3.8239 7.6254 115.4120 59.7133 32.1655 179.3895 173 Q 3.8082 7.4075 117.1039 58.7132 28.8230 178.3614 174 L 4.1545 8.5077 120.1466 56.8430 42.0034 178.7925 175 Q 3.7979 8.3410 120.3972 59.1739 28.3827 177.6903 176 P 4.1200 0.0000 0.0000 65.2687 31.1335 178.6644 177 L 4.0673 6.9538 115.2903 57.1732 41.6123 178.6734 178 V 2.8826 7.4664 110.3110 60.2258 31.5294 175.7356 179 N 4.5012 7.3410 122.8276 54.6359 41.4795 174.5294 *180 H 4.5430 8.4247 117.3377 54.8498 28.7636 172.7472 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 A 8.26 4.43 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 2 D 8.73 4.40 0.00 2.96 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.50 5.17 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 1.32 0.00 0.00 4 L 9.48 5.42 0.00 2.14 1.83 1.22 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 5 L 8.89 4.91 0.00 1.86 1.58 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.81 4.75 1.79 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.58 0.93 0.00 0.00 7 L 9.29 4.68 0.00 1.75 1.61 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 8 G 8.53 5.06 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 9 D 8.87 5.85 0.00 3.02 2.91 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 10 S 8.95 4.42 0.00 4.32 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 0.00 11 L 8.46 4.32 0.00 2.25 2.15 1.07 0.73 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 12 S 8.19 4.64 0.00 3.89 3.71 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 13 A 8.45 4.08 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 14 G 8.23 3.80 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 0.00 0.00 0.00 15 Y 8.46 4.42 0.00 2.83 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 16 R 8.15 3.66 0.00 1.82 1.83 0.00 3.19 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.00 17 M 7.49 4.73 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.54 0.00 18 S 8.34 4.34 0.00 3.99 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 19 A 8.48 3.95 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 20 S 7.49 4.13 0.00 3.80 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.56 4.26 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 A 7.54 4.18 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 23 W 8.76 4.27 0.00 3.44 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 3.74 0.00 1.64 1.45 0.00 2.90 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.44 0.00 25 A 7.68 3.88 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 26 L 7.71 3.92 0.00 1.82 1.67 0.88 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.20 3.63 0.00 1.68 1.65 -0.35 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 28 N 7.96 4.30 0.00 2.79 2.96 0.00 0.00 7.29 8.13 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 29 D 7.86 4.50 0.00 2.87 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 30 K 7.81 4.16 0.00 1.71 1.82 0.00 1.72 0.00 0.00 1.59 0.00 0.00 3.16 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.61 1.52 7.81 31 W 7.89 4.80 0.00 3.40 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 *33 S 8.01 4.45 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.97 4.20 0.00 1.70 1.77 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.14 1.39 7.81 35 T 7.67 4.96 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 1.57 0.00 0.00 36 S 9.38 4.58 0.00 3.96 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 37 V 8.53 4.79 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 0.77 0.00 0.00 1.05 0.00 0.00 38 V 8.71 4.04 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 0.71 0.00 0.00 0.88 0.00 0.00 39 N 8.73 4.61 0.00 2.55 2.60 0.00 0.00 7.14 7.96 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 40 A 8.17 4.62 1.25 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 0.00 0.00 0.00 41 S 7.59 5.09 0.00 3.57 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.27 4.71 1.91 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 0.88 0.94 0.00 0.00 43 S 8.82 4.53 0.00 3.92 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 44 G 9.03 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 45 D 8.20 5.17 0.00 2.96 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 2.30 2.26 0.00 63 P 0.00 4.52 0.00 2.39 2.09 0.00 3.76 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 64 R 8.33 3.93 0.00 1.26 0.66 0.00 2.46 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 65 W 7.86 5.56 0.00 3.44 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 66 V 8.95 4.87 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 0.85 0.00 0.00 0.98 0.00 0.00 67 L 9.22 4.88 0.00 1.94 1.69 1.15 0.89 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 68 V 9.10 4.60 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 0.91 0.00 0.00 1.01 0.00 0.00 69 E 9.36 5.34 0.00 2.21 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 2.36 2.73 0.00 70 L 8.53 5.09 0.00 1.69 1.57 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 88 L 7.93 3.92 0.00 1.65 1.55 0.52 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 89 R 7.94 3.75 0.00 2.02 2.18 0.00 3.34 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.13 0.00 90 Q 8.07 4.40 0.00 2.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 91 I 7.57 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 1.49 0.53 0.88 0.00 0.00 92 L 7.67 3.78 0.00 0.62 0.87 0.25 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 7.90 4.08 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.74 2.88 0.00 94 D 8.02 4.38 0.00 2.77 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 95 V 7.93 3.73 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.99 0.00 0.00 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0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 105 M 8.44 5.09 0.00 2.17 2.07 0.00 0.00 0.00 0.00 0.00 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.52 0.00 106 Q 8.99 3.66 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.36 0.00 0.00 0.00 0.00 0.00 2.35 2.15 0.00 107 I 6.14 3.24 1.31 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 0.58 1.06 0.68 0.00 0.00 108 R 6.45 4.57 0.00 1.64 1.83 0.00 3.30 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 109 L 8.16 4.51 0.00 1.49 1.54 -0.32 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.27 0.00 2.07 1.91 0.00 4.00 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 111 A 8.47 4.24 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 0.00 112 N 7.30 4.78 0.00 2.64 2.77 0.00 0.00 6.77 7.43 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 0.00 113 Y 8.08 4.70 0.00 3.39 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 0.00 114 G 8.08 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 0.00 115 R 9.24 4.14 0.00 1.93 1.42 0.00 3.17 0.00 0.00 3.29 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.65 0.00 116 R 8.62 3.47 0.00 1.97 2.08 0.00 3.21 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.79 0.00 117 Y 7.86 4.28 0.00 3.02 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 0.00 118 N 8.30 4.11 0.00 3.09 2.86 0.00 0.00 7.08 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 0.00 119 E 8.22 4.04 0.00 2.04 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 2.43 2.58 0.00 120 A 7.65 3.96 1.45 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 0.00 0.00 121 F 8.40 4.08 0.00 2.61 2.91 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 0.00 122 S 8.74 4.19 0.00 3.92 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 0.00 123 A 8.08 3.84 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.30 3.43 1.21 0.00 0.00 0.54 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 0.59 0.37 0.00 0.00 125 Y 7.06 3.89 0.00 3.10 2.98 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 0.00 126 P 0.00 4.32 0.00 2.17 2.13 0.00 3.79 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.34 0.00 127 K 7.83 3.87 0.00 1.85 1.98 0.00 1.61 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.48 7.81 128 L 8.07 4.13 0.00 1.70 1.73 0.70 0.71 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 0.00 129 A 8.46 4.07 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 8.13 3.89 0.00 1.99 1.96 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.45 7.81 131 E 8.19 3.79 0.00 1.99 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 0.00 1.50 2.02 0.00 132 F 8.52 4.40 0.00 3.04 3.11 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 0.00 133 D 7.87 4.41 0.00 2.78 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 0.00 134 V 7.82 4.71 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 0.91 0.00 0.00 1.05 0.00 0.00 135 P 0.00 4.35 0.00 2.12 2.00 0.00 3.78 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 2.17 2.13 0.00 136 L 8.42 4.76 0.00 1.65 1.61 1.05 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 137 L 9.10 4.36 0.00 1.78 1.76 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 138 P 0.00 4.82 0.00 2.42 2.20 0.00 3.88 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.19 0.00 139 F 8.80 4.62 0.00 2.91 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 0.00 140 F 8.22 2.70 0.00 1.64 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 0.00 141 M 5.86 3.30 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.95 0.00 142 E 7.00 3.81 0.00 1.86 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 2.56 2.58 0.00 143 E 7.65 4.13 0.00 1.91 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 0.00 2.39 2.73 0.00 144 V 7.27 3.78 1.92 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 1.19 0.00 0.00 1.01 0.00 0.00 145 Y 7.58 4.40 0.00 3.07 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 0.00 146 L 7.47 4.42 0.00 1.70 1.63 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 147 K 7.80 4.17 0.00 1.39 0.74 0.00 0.73 0.00 0.00 1.13 0.00 0.00 2.48 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.76 0.21 7.81 148 P 0.00 4.12 0.00 2.11 2.09 0.00 3.45 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 2.05 2.05 0.00 149 Q 7.89 4.15 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.94 0.00 0.00 0.00 0.00 0.00 1.84 2.09 0.00 150 W 8.82 5.13 0.00 3.42 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 0.00 151 M 7.84 4.91 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.74 0.00 152 Q 8.96 4.44 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.72 0.00 0.00 0.00 0.00 0.00 2.49 2.61 0.00 153 D 8.87 4.41 0.00 2.70 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 0.00 154 D 8.22 4.40 0.00 2.75 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 G 8.23 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 0.00 156 I 9.03 4.29 1.75 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 1.23 0.83 0.60 0.00 0.00 157 H 7.95 5.09 0.00 3.13 3.26 0.00 5.81 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 P 0.00 5.01 0.00 2.14 2.13 0.00 3.92 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 2.15 2.20 0.00 159 N 8.70 4.83 0.00 2.79 2.99 0.00 0.00 6.95 8.51 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 0.00 160 R 8.77 4.07 0.00 1.89 2.03 0.00 3.15 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 161 D 8.22 4.39 0.00 2.92 2.87 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 0.00 0.00 0.00 162 A 7.90 2.98 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 0.00 163 Q 7.77 3.92 0.00 2.12 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 2.68 2.82 0.00 164 P 0.00 4.14 0.00 2.06 2.05 0.00 3.48 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 2.05 2.09 0.00 165 F 7.68 3.91 0.00 2.46 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 0.00 166 I 7.49 3.05 1.51 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 1.01 0.31 -1.22 0.00 0.00 167 A 8.09 3.86 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 D 7.80 4.05 0.00 2.61 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 W 7.86 3.75 0.00 2.53 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 0.00 170 M 8.26 3.90 0.00 1.72 1.69 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 1.00 1.86 0.00 171 A 7.82 3.84 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 0.00 172 K 7.63 3.82 0.00 1.55 1.67 0.00 1.54 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.38 1.53 7.81 173 Q 7.41 3.81 0.00 1.69 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.00 0.00 0.00 0.00 0.00 0.00 1.19 1.16 0.00 174 L 8.51 4.15 0.00 1.98 1.89 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 175 Q 8.34 3.80 0.00 2.38 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 176 P 0.00 4.12 0.00 2.13 2.02 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 177 L 6.95 4.07 0.00 1.63 1.61 0.94 0.88 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 0.00 178 V 7.47 2.88 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 0.00 0.00 -0.20 0.00 0.00 0.39 0.00 0.00 179 N 7.34 4.50 0.00 2.94 2.80 0.00 0.00 6.91 7.77 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 *180 H 8.42 4.54 0.00 2.72 2.86 0.00 5.92 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 * Residues marked with a * may have inaccurate shift predictions.