NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3479 8.2993 121.8055 55.5595 34.0683 175.1107 7 L 4.6840 7.6782 116.9716 53.6764 43.4835 174.2369 8 A 4.6056 8.8740 123.2052 52.0717 20.3588 178.0041 9 V 5.0848 9.3301 121.8243 60.1434 35.8641 174.2370 10 A 5.4194 7.9275 125.4124 50.0098 22.6123 174.9731 11 V 4.7658 8.3382 121.7934 61.0612 34.6214 174.6471 12 V 4.7736 8.6372 126.0364 60.4958 34.4976 173.0709 13 C 5.1138 8.6252 126.5429 57.9889 32.7143 173.8937 14 S 4.7191 8.9240 109.1915 58.9857 63.8396 176.6697 15 S 4.6612 7.9966 112.0539 57.1439 64.8525 173.2298 16 N 4.1249 8.2070 117.4111 54.4665 38.6100 172.5415 *18 N 4.6504 8.0611 119.4451 53.4877 39.7191 176.0083 19 R 3.2929 8.3968 111.5379 58.4272 31.9048 176.9049 20 S 3.9094 8.0622 113.1032 60.2777 64.0685 175.9070 *22 E 4.2190 8.3813 121.0272 55.9241 31.1547 177.7160 23 A 3.9722 8.1814 120.4753 55.2778 18.2982 178.8621 24 H 3.9953 8.3757 117.0525 59.9266 29.7633 176.4215 25 N 4.3177 8.2256 118.2473 56.3594 38.6247 176.1430 26 F 3.8310 8.6228 118.6668 61.1386 39.2107 177.9240 27 L 4.1761 8.5694 118.1298 57.8710 41.2961 179.8307 28 A 4.0504 7.8572 120.1890 55.0703 18.4690 179.5681 29 K 3.8379 8.0564 114.4258 58.0947 32.1703 178.0790 30 K 4.3234 7.4982 119.1541 55.7229 32.9082 176.4587 31 G 3.9723 8.7488 106.8207 45.4248 0.0000 174.3261 32 F 4.3891 7.3839 118.4395 57.6242 39.9431 174.9813 33 N 4.7876 9.0850 121.8244 53.5261 39.5047 173.9042 34 V 5.2166 8.3148 125.1586 60.2420 34.7095 174.6309 35 R 4.9449 9.4758 121.8715 54.4538 34.1440 174.6675 36 S 5.0000 8.1333 114.3111 57.3063 65.8461 172.7563 37 Y 5.2462 8.7521 119.4459 57.1793 42.5200 173.9837 38 G 4.9784 9.1153 104.9213 45.9449 0.0000 173.6298 39 T 4.9963 8.1893 109.2252 60.9906 70.8469 174.6515 40 G 4.0363 7.9491 108.9359 46.6472 0.0000 173.5401 41 E 4.4159 8.9060 118.3342 58.6125 29.9788 177.6549 42 R 5.0701 7.7116 114.6972 54.2494 34.6715 175.4975 43 V 3.7441 8.1680 122.6443 62.8601 32.6809 174.9462 44 K 5.1019 8.7190 126.5094 55.2706 35.1766 175.5302 45 L 5.0591 9.0699 124.2263 51.6810 45.5854 173.9024 46 P 4.3522 0.0000 0.0000 63.9166 31.5987 174.5591 47 G 4.4159 9.3795 107.9568 45.0096 0.0000 175.1214 *49 A 4.2275 7.8126 124.5787 51.2573 20.3168 176.5875 50 F 4.5937 8.6097 111.8150 58.1952 38.4333 176.0265 51 D 4.5955 7.0618 118.3784 52.5512 40.0807 175.7778 52 K 4.4220 7.5416 121.4805 54.4190 34.2307 172.7684 53 P 5.3751 0.0000 0.0000 60.8973 34.7168 173.6340 54 N 4.8105 8.8654 117.0188 51.9460 40.4872 174.1045 55 V 4.6668 8.0290 123.8234 61.4237 33.7374 174.2397 56 Y 4.8708 9.1439 123.7597 55.6333 42.9467 174.2476 57 E 4.2401 8.7584 121.4677 55.9793 30.9128 177.2380 58 F 4.0601 8.9837 125.8264 58.6685 38.9002 175.6079 59 G 4.1860 8.1080 105.7251 44.3850 0.0000 173.9057 60 T 4.0201 7.6874 109.9069 61.0648 69.7227 175.0125 61 K 4.0928 8.0756 121.8272 56.6039 33.6570 178.3835 62 Y 4.0380 8.1099 119.1269 60.8685 37.7765 178.3939 63 E 4.1081 8.3280 120.1137 59.6888 29.6315 178.5923 64 D 4.4026 7.9404 118.2027 57.2441 41.0114 178.6386 65 I 3.1207 7.5194 120.0614 64.2280 36.9985 177.8827 66 Y 4.2733 8.1011 120.5290 60.5309 38.6504 177.7409 67 R 3.5437 7.9628 119.6326 59.9495 30.0123 177.2097 68 D 4.2849 8.6217 116.7797 57.7559 40.8572 177.7336 69 L 3.8534 8.2811 118.5035 57.9948 41.8814 179.4320 70 E 3.9260 8.0336 118.9203 59.1935 29.2843 178.6786 71 S 4.4745 7.7702 111.4597 56.6774 63.8959 173.9810 72 K 4.6823 8.4852 122.4528 58.0751 32.5867 178.5786 73 D 4.8267 6.6537 130.0452 55.9945 40.3972 177.7784 74 K 4.2747 7.8494 123.5244 59.6372 32.9144 176.1802 75 E 3.9705 8.0826 119.7988 58.3416 30.4546 178.3849 76 F 3.8946 8.0816 119.2564 61.8545 40.0758 177.7311 77 Y 4.1536 8.3730 116.3073 60.7424 37.4629 178.2827 78 T 4.1550 8.0391 110.0724 64.0157 68.8797 176.5677 79 Q 4.0309 7.8567 122.7574 59.0678 29.1872 177.3886 80 N 4.0006 7.4622 116.5267 54.1240 37.5246 174.7699 81 G 4.1553 8.1372 110.8818 46.3588 0.0000 176.1850 82 L 3.9212 8.4785 119.5102 57.9001 42.2367 178.8329 83 L 4.1187 8.1885 118.3936 57.9782 41.8632 179.2619 84 H 4.1585 8.1600 117.0298 56.3544 29.1898 176.7912 *86 L 4.0407 7.9818 119.7673 54.1566 43.5467 178.8880 87 D 3.9429 7.4331 116.9204 57.1688 41.0756 177.9739 88 R 3.8619 8.0310 119.5224 59.2396 30.0186 178.2006 89 N 4.1637 7.5981 116.2233 55.6423 38.3898 177.3245 90 R 4.0289 7.5000 116.6976 58.8373 29.2975 178.0251 91 R 4.4426 6.9109 117.2363 56.0849 30.1858 176.0567 92 I 4.3321 7.5907 118.1517 61.9695 39.5269 175.4769 93 K 4.6378 7.4838 119.0888 54.1187 34.6775 176.1361 94 K 4.1953 8.6911 123.5191 59.1745 32.4170 176.3826 95 C 3.9419 7.5851 109.3022 55.8931 31.6728 171.5260 96 P 4.5401 0.0000 0.0000 62.7860 31.4127 175.2658 97 E 5.1652 8.9784 119.6810 54.8744 33.3863 174.8389 98 R 4.5344 8.4264 120.4178 54.8208 31.5603 176.7087 99 F 3.6407 9.5097 128.0098 61.8607 39.1201 176.2902 100 Q 3.4105 8.1298 117.2320 58.7791 28.5072 177.2905 101 D 4.7386 6.7923 119.7498 52.3346 39.4662 174.4503 102 T 4.1202 7.2407 113.2123 60.9708 69.6687 174.3183 103 K 3.9698 8.7201 129.2195 58.4218 32.4903 177.6156 104 E 3.8950 7.2799 119.1310 56.5122 29.8728 176.4253 105 Q 4.6063 7.6363 118.6580 53.0168 31.3641 174.1134 106 F 5.1188 9.0594 117.9124 56.1538 42.7303 174.0188 107 D 5.0897 8.9627 119.1607 55.1926 43.3970 177.1370 108 I 4.9848 7.8361 118.6200 59.6723 41.6471 174.4718 109 I 4.5869 8.8784 128.3154 59.3789 39.4786 174.5070 110 V 4.4141 8.4217 128.5156 61.9620 32.1091 175.4732 111 T 4.6693 8.8102 119.3894 61.1802 71.0462 175.4618 112 V 5.0737 7.8409 113.7821 60.1797 33.3946 175.0203 113 E 4.8448 7.7648 119.7421 53.8710 32.6154 175.5531 114 E 3.9003 8.4299 125.9334 59.5209 29.2687 179.0212 115 R 3.8938 8.1706 118.3314 59.9020 29.8421 178.2746 116 V 3.4509 7.7733 117.1144 66.0505 31.1967 176.8710 117 Y 4.0554 7.9645 119.3501 61.1935 38.2303 178.2407 118 D 4.2627 8.0051 118.7333 57.1402 40.9904 178.4233 119 L 4.1349 7.1621 118.5454 57.7572 41.7301 179.3783 120 V 3.8124 7.7912 117.6030 65.5294 31.3704 177.0884 121 V 3.7701 6.7948 115.8513 63.2612 32.4455 175.4598 *123 H 4.4048 8.1383 114.2977 55.6371 30.7206 174.0979 *125 E 4.3233 8.1443 116.7352 55.6040 31.4807 177.3214 126 S 3.9460 7.7955 113.8149 60.7524 62.5642 174.0013 *128 E 4.0296 7.8894 119.6615 55.9740 29.9685 174.5028 129 S 4.8040 8.2843 120.2659 56.2660 64.8368 174.2664 130 V 3.7456 8.2610 116.0355 64.0332 31.4942 177.6850 131 D 4.3410 7.5322 118.8121 57.3103 40.6897 178.2424 132 N 3.9942 8.0607 114.1674 54.3763 37.1348 173.3051 133 R 4.8500 7.7182 112.3660 52.8782 31.8881 173.6194 134 P 4.8974 0.0000 0.0000 63.4741 32.4964 176.0135 135 V 4.6740 8.0652 119.7320 60.9558 35.0571 172.9548 136 H 4.8075 9.7106 123.2804 54.2812 30.9153 174.3260 137 V 4.4373 8.3989 123.9081 61.9784 32.3733 174.3048 138 L 5.1997 8.4829 128.4462 53.0277 44.1160 175.1609 139 N 5.2711 9.0652 122.3910 51.2780 41.4844 173.9767 140 V 4.4782 8.5241 124.9142 60.8901 34.1381 173.9390 141 D 4.9566 8.6523 127.7699 55.0194 41.5436 176.9136 142 V 4.3964 8.1408 120.6328 60.4198 34.1712 174.2151 143 V 3.6904 8.5940 124.9920 62.9191 31.9372 176.1845 144 D 4.1023 8.5938 124.6287 56.1332 41.7322 176.0570 145 N 4.3014 7.5469 117.4325 54.3545 39.3149 175.2666 146 A 4.6833 8.3786 126.0607 53.9866 18.6974 179.5154 147 E 4.0623 8.2656 117.2473 59.5125 29.9800 178.0933 148 D 4.4806 8.1098 117.0528 56.7057 41.3078 177.7504 149 A 4.0903 7.7293 121.2746 55.1427 19.0712 179.8468 150 L 4.3883 7.8204 116.9127 55.4737 40.2128 178.8978 *152 G 3.8052 8.0824 109.0736 46.5837 0.0000 174.7253 153 A 4.1179 7.8951 121.9575 55.1482 18.1706 179.4354 154 F 3.7191 7.5013 115.5406 60.8008 38.7964 178.3180 155 V 3.7131 7.6372 115.4948 66.2671 31.6185 177.4186 156 I 3.7052 8.5038 119.1104 64.8776 37.1977 178.1052 157 T 4.0635 8.6959 117.3127 65.9246 68.1409 177.0438 158 D 4.6254 7.7984 116.5694 55.1320 41.2007 176.9469 *160 I 3.9287 7.6941 120.1690 60.7771 39.0963 176.1529 161 N 4.8397 8.1997 119.7691 54.0371 36.5327 174.3009 *164 A 4.3839 7.6694 124.8887 51.9967 21.0267 178.9805 165 K 4.2508 7.5618 117.8292 55.6134 30.9297 175.0927 166 S 4.2828 8.0056 119.1834 58.2069 63.5952 173.2252 167 T 3.9756 8.7033 123.8710 64.8392 66.9646 173.1974 168 D 4.6460 7.6464 120.1397 51.3028 41.2303 174.5949 169 L 3.7778 8.2258 124.7986 57.9082 42.6944 179.2087 170 D 4.4560 7.8886 118.5169 57.5834 41.5384 179.0757 171 N 4.5799 8.4897 116.7567 56.0284 38.8101 176.9682 172 D 4.5408 7.6970 119.2010 55.0291 39.3242 177.9442 173 I 3.5633 8.0142 121.2641 64.1968 37.4985 177.0509 174 D 4.3339 7.7967 118.2542 56.7307 40.9898 177.3779 175 E 4.3380 7.9286 119.0363 58.2000 29.9751 177.8460 176 L 4.0559 8.1340 119.4658 57.8786 41.5477 179.5583 177 I 3.8278 7.5036 119.0722 64.2898 36.5338 178.2152 178 Q 4.2990 7.4624 122.1871 58.6416 28.8384 178.2259 179 E 4.0569 8.2242 119.7784 59.2532 29.6785 178.9470 180 F 4.0006 8.7520 121.1783 61.1976 39.1903 177.0217 181 E 4.1202 8.7342 118.8565 59.3150 29.0091 178.7669 182 E 3.9731 7.5651 117.2305 58.6546 29.8133 178.2085 183 R 3.9823 7.7964 118.2377 58.1915 30.2754 177.5135 184 R 4.1923 7.3881 114.7768 54.3582 31.4580 175.8581 185 K 3.8460 7.8994 116.8359 57.8656 29.6100 174.5276 186 R 4.5744 7.5410 115.1593 54.4228 33.2337 176.7672 187 V 4.0386 8.0171 119.1900 61.4164 31.0746 174.6885 188 I 4.5563 7.6331 127.5974 58.8152 37.1137 175.4750 189 L 4.0628 8.0465 127.8499 54.8451 42.7300 175.7981 190 H 5.5880 8.7017 122.7055 54.5804 32.8654 172.3009 191 S 4.7367 9.0365 119.2059 56.6240 66.9907 173.1740 192 V 4.3763 8.1453 114.3529 60.0623 32.5858 175.4075 193 L 4.6466 8.0064 124.2212 52.8003 45.7551 175.6945 194 F 5.3432 8.4950 119.3593 56.3819 41.5816 175.7403 195 Y 4.5113 8.1915 118.2203 58.3530 37.9259 175.7902 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 6 K 8.30 4.35 0.00 1.76 1.95 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.47 7.81 7 L 7.68 4.68 0.00 2.11 1.66 0.97 0.39 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 8 A 8.87 4.61 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 9 V 9.33 5.08 2.16 0.00 0.00 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 0.00 0.00 1.01 0.00 0.00 10 A 7.93 5.42 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.34 4.77 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 0.98 0.00 0.00 0.85 0.00 0.00 12 V 8.64 4.77 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 0.96 0.00 0.00 0.70 0.00 0.00 13 C 8.63 5.11 0.00 3.06 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 14 S 8.92 4.72 0.00 3.98 3.95 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 15 S 8.00 4.66 0.00 3.89 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 16 N 8.21 4.12 0.00 3.01 2.90 0.00 0.00 7.00 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *18 N 8.06 4.65 0.00 2.84 2.47 0.00 0.00 7.05 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.40 3.29 0.00 1.94 1.77 0.00 3.23 0.00 0.00 3.36 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 20 S 8.06 3.91 0.00 3.97 3.87 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 *22 E 8.38 4.22 0.00 2.13 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 0.00 2.32 2.47 0.00 23 A 8.18 3.97 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 24 H 8.38 4.00 0.00 3.42 3.23 0.00 5.60 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.23 4.32 0.00 2.85 2.90 0.00 0.00 7.14 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 26 F 8.62 3.83 0.00 3.16 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 27 L 8.57 4.18 0.00 1.69 1.77 0.82 0.69 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 28 A 7.86 4.05 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 29 K 8.06 3.84 0.00 1.56 1.76 0.00 1.36 0.00 0.00 1.44 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.34 7.81 30 K 7.50 4.32 0.00 2.04 1.97 0.00 1.67 0.00 0.00 1.80 0.00 0.00 3.25 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.43 7.81 31 G 8.75 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 0.00 0.00 0.00 32 F 7.38 4.39 0.00 3.24 2.96 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 33 N 9.09 4.79 0.00 2.90 3.04 0.00 0.00 6.65 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 34 V 8.31 5.22 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 0.78 0.00 0.00 0.84 0.00 0.00 35 R 9.48 4.94 0.00 2.01 1.84 0.00 3.50 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.33 0.00 36 S 8.13 5.00 0.00 3.83 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 37 Y 8.75 5.25 0.00 3.06 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 38 G 9.12 4.98 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 0.00 0.00 0.00 39 T 8.19 5.00 4.40 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 1.24 0.00 0.00 40 G 7.95 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 0.00 0.00 0.00 41 E 8.91 4.42 0.00 2.05 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 0.00 2.34 2.31 0.00 42 R 7.71 5.07 0.00 1.71 2.01 0.00 3.25 0.00 0.00 3.20 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 43 V 8.17 3.74 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 0.91 0.00 0.00 0.04 0.00 0.00 44 K 8.72 5.10 0.00 1.83 1.78 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.45 7.81 45 L 9.07 5.06 0.00 1.76 1.71 0.98 0.69 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 46 P 0.00 4.35 0.00 2.22 2.15 0.00 3.83 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.06 0.00 47 G 9.38 4.42 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 0.00 *49 A 7.81 4.23 1.18 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 0.00 0.00 50 F 8.61 4.59 0.00 3.21 3.20 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 51 D 7.06 4.60 0.00 2.46 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 52 K 7.54 4.42 0.00 1.71 1.62 0.00 1.50 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.41 7.81 53 P 0.00 5.38 0.00 2.21 2.09 0.00 3.73 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.97 0.00 54 N 8.87 4.81 0.00 2.94 2.94 0.00 0.00 6.96 6.97 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 55 V 8.03 4.67 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 0.91 0.00 0.00 0.90 0.00 0.00 56 Y 9.14 4.87 0.00 2.79 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 57 E 8.76 4.24 0.00 2.10 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 2.63 2.38 0.00 58 F 8.98 4.06 0.00 3.12 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.11 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 60 T 7.69 4.02 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 61 K 8.08 4.09 0.00 2.21 1.87 0.00 1.75 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.47 7.81 62 Y 8.11 4.04 0.00 2.99 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 63 E 8.33 4.11 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 2.45 2.49 0.00 64 D 7.94 4.40 0.00 2.80 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 65 I 7.52 3.12 1.82 0.00 0.00 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 0.57 0.78 0.26 0.00 0.00 66 Y 8.10 4.27 0.00 2.98 3.18 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 67 R 7.96 3.54 0.00 1.97 2.07 0.00 3.15 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 68 D 8.62 4.28 0.00 2.86 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 69 L 8.28 3.85 0.00 1.60 1.41 0.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 70 E 8.03 3.93 0.00 2.05 1.88 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 2.26 2.05 0.00 71 S 7.77 4.47 0.00 4.07 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 72 K 8.49 4.68 0.00 2.06 1.30 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.63 7.81 73 D 6.65 4.83 0.00 2.94 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 K 7.85 4.27 0.00 2.05 1.90 0.00 1.75 0.00 0.00 1.92 0.00 0.00 3.08 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.61 7.81 75 E 8.08 3.97 0.00 2.14 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 2.43 2.42 0.00 76 F 8.08 3.89 0.00 3.05 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 77 Y 8.37 4.15 0.00 3.22 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 87 D 7.43 3.94 0.00 2.48 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 88 R 8.03 3.86 0.00 1.77 1.77 0.00 3.30 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 89 N 7.60 4.16 0.00 1.86 1.53 0.00 0.00 6.90 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 R 7.50 4.03 0.00 1.98 2.07 0.00 3.07 0.00 0.00 3.12 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 91 R 6.91 4.44 0.00 1.73 1.92 0.00 3.02 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.79 0.00 92 I 7.59 4.33 1.69 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.68 0.84 0.00 0.00 93 K 7.48 4.64 0.00 1.67 1.74 0.00 2.02 0.00 0.00 1.86 0.00 0.00 2.79 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.65 1.44 7.81 94 K 8.69 4.20 0.00 1.91 1.82 0.00 1.73 0.00 0.00 1.90 0.00 0.00 3.07 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 1.51 7.81 95 C 7.59 3.94 0.00 2.97 2.67 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0.00 0.00 0.00 0.00 0.00 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 N 8.06 3.99 0.00 2.76 2.76 0.00 0.00 6.84 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 7.72 4.85 0.00 1.96 2.04 0.00 3.05 0.00 0.00 3.40 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 134 P 0.00 4.90 0.00 2.16 2.22 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 135 V 8.07 4.67 2.28 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 0.42 0.00 0.00 0.99 0.00 0.00 136 H 9.71 4.81 0.00 3.15 3.40 0.00 5.80 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 V 8.40 4.44 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 0.94 0.00 0.00 0.83 0.00 0.00 138 L 8.48 5.20 0.00 1.60 1.46 0.78 0.16 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 0.00 139 N 9.07 5.27 0.00 2.26 2.25 0.00 0.00 6.44 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.52 4.48 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 0.93 0.00 0.00 0.83 0.00 0.00 141 D 8.65 4.96 0.00 2.58 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 0.00 142 V 8.14 4.40 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 0.67 0.00 0.00 0.93 0.00 0.00 143 V 8.59 3.69 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 0.97 0.00 0.00 0.98 0.00 0.00 144 D 8.59 4.10 0.00 2.68 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 0.00 145 N 7.55 4.30 0.00 2.76 2.70 0.00 0.00 6.92 8.42 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 0.00 146 A 8.38 4.68 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 E 8.27 4.06 0.00 1.98 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 0.00 2.29 2.40 0.00 148 D 8.11 4.48 0.00 2.67 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 0.00 149 A 7.73 4.09 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 0.00 150 L 7.82 4.39 0.00 1.96 2.01 1.12 0.50 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 *152 G 8.08 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 0.00 0.00 0.00 153 A 7.90 4.12 0.80 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 0.00 154 F 7.50 3.72 0.00 2.98 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 0.00 155 V 7.64 3.71 2.28 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 1.13 0.00 0.00 0.98 0.00 0.00 156 I 8.50 3.71 1.95 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 1.45 0.78 0.79 0.00 0.00 157 T 8.70 4.06 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 1.35 0.00 0.00 158 D 7.80 4.63 0.00 2.97 3.08 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 0.00 *160 I 7.69 3.93 1.39 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 1.22 0.65 0.24 0.00 0.00 161 N 8.20 4.84 0.00 3.02 2.85 0.00 0.00 7.01 8.19 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 *164 A 7.67 4.38 1.66 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 0.00 0.00 165 K 7.56 4.25 0.00 1.94 1.91 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.65 1.41 7.81 166 S 8.01 4.28 0.00 3.82 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 T 8.70 3.98 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 1.23 0.00 0.00 168 D 7.65 4.65 0.00 2.67 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 8.23 3.78 0.00 1.70 1.65 0.87 1.17 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 0.00 170 D 7.89 4.46 0.00 2.75 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 0.00 171 N 8.49 4.58 0.00 2.93 2.86 0.00 0.00 6.75 7.80 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 0.00 172 D 7.70 4.54 0.00 2.90 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 0.00 173 I 8.01 3.56 1.85 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.17 0.86 0.00 0.00 174 D 7.80 4.33 0.00 2.99 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 0.00 175 E 7.93 4.34 0.00 2.12 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 2.34 2.46 0.00 176 L 8.13 4.06 0.00 1.69 1.71 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 177 I 7.50 3.83 1.85 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.86 0.95 0.00 0.00 178 Q 7.46 4.30 0.00 2.29 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.54 2.31 0.00 179 E 8.22 4.06 0.00 2.28 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 2.34 2.52 0.00 180 F 8.75 4.00 0.00 3.23 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 E 8.73 4.12 0.00 2.28 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 2.52 2.57 0.00 182 E 7.57 3.97 0.00 1.97 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 2.29 2.32 0.00 183 R 7.80 3.98 0.00 1.90 1.61 0.00 3.12 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 184 R 7.39 4.19 0.00 1.57 1.73 0.00 3.38 0.00 0.00 2.99 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.50 0.00 185 K 7.90 3.85 0.00 1.80 1.82 0.00 1.49 0.00 0.00 1.63 0.00 0.00 3.19 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.45 7.81 186 R 7.54 4.57 0.00 1.74 1.85 0.00 3.24 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 187 V 8.02 4.04 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 0.80 0.00 0.00 0.91 0.00 0.00 188 I 7.63 4.56 1.88 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.55 0.87 0.00 0.00 189 L 8.05 4.06 0.00 0.75 1.00 0.57 0.77 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 0.00 190 H 8.70 5.59 0.00 3.01 3.14 0.00 5.86 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 S 9.04 4.74 0.00 3.85 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 0.00 192 V 8.15 4.38 1.83 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 0.62 0.00 0.00 0.77 0.00 0.00 193 L 8.01 4.65 0.00 1.46 1.34 0.78 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 194 F 8.49 5.34 0.00 2.94 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 0.00 195 Y 8.19 4.51 0.00 3.11 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 * Residues marked with a * may have inaccurate shift predictions.