NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 K 4.6244 8.1727 120.0978 56.4066 34.3301 173.7578 10 V 4.5092 9.2598 125.5113 60.7280 34.2356 172.6185 11 I 5.0834 9.3492 129.4533 59.5870 40.5732 173.8774 12 L 4.9527 9.1160 127.7295 53.4653 43.4377 175.7281 13 I 4.7945 9.0021 125.7924 60.7999 38.9217 174.9483 14 T 4.9566 8.6523 120.4463 60.3449 71.0665 172.7698 15 G 4.4617 8.1684 110.9531 46.2481 0.0000 173.2600 16 M 4.4052 8.6761 122.8288 55.0993 32.4240 176.2745 17 P 3.8873 0.0000 0.0000 65.1510 32.0518 177.0918 18 G 4.1002 7.9203 105.3091 45.6792 0.0000 175.6905 19 S 4.0686 8.3137 118.3600 59.2234 63.2255 176.1238 20 G 3.8837 7.8608 109.5707 45.0439 0.0000 174.8792 21 K 3.6595 8.1333 120.4126 60.2717 32.0306 178.7727 22 S 4.2173 8.1801 114.9566 61.5187 62.7552 176.2336 23 E 4.2209 9.2035 123.1510 59.0663 29.2503 178.8858 24 F 4.4901 8.7825 120.1847 61.4478 39.5171 176.9291 25 A 3.7303 8.2050 122.5861 55.5645 18.0893 180.0802 26 K 3.8357 8.5607 122.6600 60.1001 31.6390 180.7286 27 L 4.5119 8.1675 121.7396 57.0972 41.3986 179.7374 28 L 3.9016 7.4440 117.3679 57.6861 41.6540 179.6210 29 K 4.2174 7.7032 117.1417 59.8054 32.5764 178.7683 30 E 4.1678 8.2150 122.4173 59.0902 29.6484 178.1627 31 R 4.6338 7.7451 120.5160 58.9613 29.6927 180.7104 32 G 3.8934 8.0843 104.4125 47.5850 0.0000 172.4615 33 A 4.3931 7.6766 123.7401 50.1952 22.2813 175.8252 34 K 3.9796 9.2484 123.3986 56.1763 32.9080 175.7669 35 V 4.4864 8.1221 128.1882 61.2158 33.1286 174.7325 36 I 4.3993 8.7183 129.0900 59.4860 40.2146 174.8145 37 V 4.3529 8.3520 127.5555 61.8161 32.1912 175.7846 38 M 4.1152 8.7063 129.8193 59.1570 31.9153 179.1938 39 S 4.2907 8.1225 114.0537 61.3671 62.9614 176.1290 40 D 4.5229 8.4175 121.8637 56.6325 40.5502 178.8390 41 V 3.6794 7.8264 118.6717 66.1150 31.6059 178.0134 42 V 3.6999 7.7505 117.5163 65.8907 31.3433 177.5752 43 R 4.0280 8.4706 121.4152 60.4654 29.6899 179.3619 44 K 4.1712 8.6373 122.1973 59.7087 31.8874 180.9182 45 R 4.4237 8.3852 117.9200 59.1935 29.5546 178.2925 46 Y 3.0213 8.6819 120.1435 60.6644 38.6369 178.1616 47 S 4.1387 7.7932 112.2831 60.9760 62.4105 175.3257 48 I 4.2735 7.6279 120.9857 61.4674 38.5836 175.5948 49 E 4.5264 7.2586 114.1122 54.1877 32.5551 174.4067 50 A 3.9170 8.2881 123.4933 50.1758 20.4811 176.2501 *53 G 3.8266 8.3364 111.2745 45.5907 0.0000 172.2692 54 E 4.0472 8.8517 119.0045 58.8217 30.1328 177.0690 55 R 4.4778 8.9934 119.4457 55.5092 32.5844 177.4469 56 L 4.0388 7.8880 126.5217 59.0372 42.8414 178.2440 57 M 3.9910 8.6675 117.0866 59.3039 31.7040 177.6541 58 D 4.4288 8.3151 121.6955 56.5610 39.8547 178.8359 59 F 4.4393 8.5215 122.2032 61.5321 39.6788 176.9703 60 A 3.9717 8.3004 122.0806 54.9326 18.0888 180.3532 61 K 4.0377 8.3612 125.6045 60.5514 31.6743 185.0000 62 R 4.1039 8.0994 122.0101 61.0871 29.4033 180.4320 63 L 4.3045 7.6357 120.2412 58.1437 41.1972 180.1926 64 R 4.9173 7.9261 120.9506 59.3998 29.7094 179.6862 65 E 4.0188 7.7630 117.2130 60.3696 29.7506 181.4905 66 I 4.1075 8.1193 119.3805 63.8034 37.9319 177.3811 67 Y 4.5914 8.5114 115.7613 57.1158 38.6029 175.7265 68 G 4.3366 7.4073 112.2063 45.4250 0.0000 174.6245 69 D 4.1997 7.4756 120.1704 56.7407 40.5060 177.7659 70 G 3.6954 8.5789 112.3698 45.8957 0.0000 176.3559 71 V 3.6372 7.8933 122.0036 64.4902 31.4414 178.6911 72 V 3.5415 7.7146 119.4945 63.9100 31.1073 177.8818 73 A 3.1620 7.1895 121.8423 54.8394 18.0919 179.3988 74 R 3.6571 7.6419 115.8680 59.7728 30.1483 179.0513 75 L 4.1716 7.4508 118.1355 57.7873 41.4714 179.5025 76 C 4.3031 7.9340 116.9788 62.7593 27.9666 176.2194 77 V 3.8926 7.8806 121.7163 66.5619 31.1294 178.3138 78 E 4.1595 8.5457 117.9844 60.6542 29.5871 181.2874 79 E 4.2508 7.9247 118.8039 58.5872 30.2409 177.1986 80 L 3.9893 8.1008 118.2989 55.1628 42.3735 178.1847 81 G 4.1577 8.6206 110.0843 44.6318 0.0000 173.4093 82 T 4.2442 8.8512 108.1435 63.0547 68.4767 177.3643 83 S 3.2287 6.4390 113.9911 57.3073 64.2215 172.4527 84 N 4.8486 7.8100 124.1592 54.1969 36.0012 173.4541 85 H 5.0275 7.9711 117.2020 53.6477 32.4073 174.5021 86 D 4.4331 8.8047 121.8507 56.8641 41.1530 176.5851 87 L 4.9228 7.7764 120.8962 53.1057 45.0045 174.7244 88 V 4.5684 8.2008 126.3668 60.9914 34.3389 174.3796 89 V 4.6492 8.7884 127.5344 61.1496 34.6238 173.8982 90 F 5.1114 8.7999 127.4546 55.9384 40.9523 174.5626 91 D 4.7683 9.1705 125.5294 54.5475 41.9655 176.9380 92 G 4.0529 8.7981 118.3800 45.5452 0.0000 172.9135 93 V 4.0162 7.5361 116.6427 63.4709 32.1798 175.4510 94 R 4.7306 10.6400 120.6197 54.8826 32.7078 174.9815 95 S 4.6576 7.7074 111.9258 56.0972 67.0513 174.9886 96 L 4.0515 8.5297 121.9357 57.1759 41.3554 179.4290 97 A 3.9520 8.0376 120.9353 55.4198 18.2608 179.2634 98 E 3.7837 8.0556 116.4800 59.3834 29.4630 179.8682 99 V 3.8433 7.7974 120.7499 66.7261 31.6994 178.2418 100 E 3.9870 8.5631 118.4355 61.4219 29.4215 180.6336 101 E 4.0039 8.1443 119.5767 59.3022 29.4617 179.2637 102 F 4.0829 8.0838 117.7191 60.8080 39.0500 177.7629 103 K 4.0801 8.4902 117.9926 59.6745 31.7050 179.0318 104 R 3.8638 8.1908 117.6786 59.6386 30.0518 178.2968 105 L 4.1145 8.0849 117.4539 57.5961 41.7783 178.7398 106 L 4.5186 8.9933 117.7379 54.0550 42.7672 175.6739 107 G 4.2590 8.0848 104.1159 44.5006 0.0000 176.1598 108 D 4.7781 8.7974 124.3517 52.4595 40.6575 175.1424 109 S 4.4948 7.8967 116.1437 59.1073 63.9150 173.4801 110 V 4.5559 7.4928 120.4002 61.7924 32.5005 174.3074 111 Y 5.0302 9.3019 126.0146 56.2668 41.4406 174.8643 112 I 4.7265 8.4821 124.0049 60.4175 39.2044 174.6962 113 V 4.9349 8.8919 127.6934 61.0940 33.8358 174.1236 114 A 4.9075 8.8891 131.0723 51.3145 20.2107 176.1033 115 V 4.5386 8.6252 123.7815 61.9761 32.1353 174.5984 116 H 4.8669 10.5072 128.9064 55.2685 31.7387 173.9096 117 S 4.8216 7.6094 118.1106 56.4818 65.3803 172.1526 118 P 4.3679 0.0000 0.0000 61.5831 31.6903 174.2295 119 P 3.3708 0.0000 0.0000 66.5566 31.1981 179.4274 120 K 4.1584 7.6631 121.8111 60.1266 31.9392 180.8985 121 I 3.8700 7.6912 120.1846 64.5147 37.1768 178.4928 122 R 3.8210 7.7350 118.2717 59.8645 29.8893 178.1270 123 Y 4.4765 8.1130 119.0923 61.8900 37.6550 179.3550 124 K 4.0991 8.2381 126.8063 60.7457 32.1626 181.7394 125 R 4.2707 8.8127 121.7977 61.7753 29.2846 181.1286 126 M 4.2269 8.6148 119.5680 58.5550 31.9035 178.8973 127 I 3.7089 7.9731 118.6256 64.0298 37.7514 176.7453 128 E 4.9001 8.0508 120.8322 56.3939 30.5245 178.3180 129 R 4.4386 7.1987 118.4789 54.1320 30.5156 177.2096 130 L 3.6765 7.8037 131.5456 54.6685 41.6036 178.0276 *135 S 4.2548 7.8182 110.9217 58.5835 64.0229 174.2141 136 K 4.3678 8.1678 119.8888 54.5728 32.0518 180.0879 137 E 4.5093 7.7067 116.2329 55.6653 30.9976 181.9814 138 I 3.5628 8.4208 124.9846 63.3967 37.0104 178.5382 139 S 4.0371 7.9766 114.6572 61.7518 62.6230 176.2964 140 E 3.8924 8.1002 123.4684 58.2802 29.2197 178.7539 141 L 3.8811 7.6185 118.6257 57.8677 41.8237 179.0675 142 I 3.7594 7.5329 122.0655 65.1464 36.9780 179.2441 143 R 3.9997 8.2391 123.6584 62.2867 29.3617 181.4570 144 R 4.2159 8.3656 122.1906 61.3677 29.2154 180.4229 145 D 4.6959 8.6299 121.7873 58.0832 40.7881 179.8107 146 R 4.0545 7.9787 123.1125 61.9873 29.2007 180.9956 147 E 4.2073 8.3341 118.7119 61.1598 30.1066 180.5582 148 E 4.3196 8.0996 120.2849 59.0283 29.7303 178.9088 149 L 4.1252 8.4917 122.0816 58.2708 41.4608 180.1855 150 K 4.0856 8.3127 123.1318 59.5455 31.6136 181.0632 151 L 4.4450 7.5642 116.6700 56.3011 41.9382 177.9679 152 G 4.1578 7.9416 107.0062 45.2494 0.0000 175.2606 153 I 3.9644 7.5213 122.5734 63.1488 37.7702 177.9286 154 G 3.6920 8.1264 106.3429 48.0002 0.0000 175.3740 155 E 4.0402 8.1608 120.4623 58.9080 29.2104 179.5742 156 V 3.6372 7.6177 117.3998 65.8523 31.9155 177.8020 157 I 3.8989 7.8840 119.5027 64.3181 36.8057 178.0711 158 A 4.0523 7.8765 120.3566 55.1186 18.2102 178.6072 159 M 4.3610 7.8448 113.9521 54.2211 32.5341 176.4406 160 A 4.1982 7.0454 122.6852 53.1133 19.0700 177.8262 161 D 4.6263 8.8807 119.6394 56.1973 42.2028 176.8998 162 Y 4.7993 7.7969 114.2209 56.4286 42.8527 174.2685 163 I 5.0924 8.3700 122.7025 59.7146 40.0975 174.9123 164 I 4.2856 8.5780 129.2334 60.6801 38.3646 175.8589 165 T 4.9021 8.4195 117.1386 61.0047 71.3135 174.8551 166 N 4.8775 9.3784 120.7760 52.5857 38.4570 174.0366 167 D 4.5433 8.4746 125.5927 53.8679 41.1119 175.4188 168 S 4.0934 8.3143 117.1061 59.7617 62.3717 170.0583 169 N 3.8368 8.6845 115.2686 54.5235 37.6155 174.0893 170 Y 4.2543 8.6566 127.2535 60.8772 38.7721 177.3338 171 E 3.8024 8.2401 118.7400 59.8934 30.0407 177.4852 172 E 3.7150 8.8485 117.4587 59.3183 29.4089 178.8731 173 F 4.0404 8.3878 119.8757 61.6846 39.7368 177.6602 174 K 3.4861 8.2390 121.6949 60.3006 31.7261 179.2734 175 R 3.8320 7.9223 122.7289 62.1632 29.4569 181.3226 176 R 3.9894 7.8605 121.2661 61.5014 29.0249 180.0901 177 C 3.8242 7.8102 118.3146 63.1554 28.1566 176.1753 178 E 3.8845 8.2040 120.0912 61.4072 29.1753 181.4518 179 E 3.9992 8.2848 118.8260 59.3418 29.6465 179.3261 180 V 3.1618 7.3794 119.2321 65.0498 31.6535 178.0876 181 T 3.9795 7.8901 115.7246 66.6864 68.4305 176.6339 182 D 4.3369 7.8668 122.7215 57.8747 40.7023 179.2978 183 R 4.1029 7.8435 118.1772 59.8656 29.3052 179.3159 184 V 4.0653 7.1835 116.7502 63.9974 33.1544 175.4401 185 L 4.2937 7.6489 123.7196 55.0216 42.1206 175.6176 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 9 K 8.17 4.62 0.00 1.80 1.99 0.00 1.62 0.00 0.00 2.04 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.54 1.51 7.81 10 V 9.26 4.51 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 0.99 0.00 0.00 1.04 0.00 0.00 11 I 9.35 5.08 1.83 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 1.30 0.72 0.98 0.00 0.00 12 L 9.12 4.95 0.00 1.55 1.49 0.83 0.19 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 13 I 9.00 4.79 1.90 0.00 0.00 0.60 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 0.65 1.04 0.00 0.00 14 T 8.65 4.96 4.31 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 1.35 0.00 0.00 15 G 8.17 4.46 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 0.00 16 M 8.68 4.41 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.54 0.00 17 P 0.00 3.89 0.00 2.13 2.04 0.00 3.71 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.19 0.00 18 G 7.92 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 0.00 0.00 0.00 19 S 8.31 4.07 0.00 4.16 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 20 G 7.86 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 0.00 0.00 0.00 21 K 8.13 3.66 0.00 2.17 2.24 0.00 1.62 0.00 0.00 1.94 0.00 0.00 3.09 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.57 1.61 7.81 22 S 8.18 4.22 0.00 4.10 4.21 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 0.00 0.00 0.00 0.00 23 E 9.20 4.22 0.00 2.66 2.36 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 2.72 2.28 0.00 24 F 8.78 4.49 0.00 3.18 3.37 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 25 A 8.20 3.73 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 26 K 8.56 3.84 0.00 1.72 1.86 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.38 7.81 27 L 8.17 4.51 0.00 2.06 1.83 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.44 3.90 0.00 1.50 1.54 0.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 29 K 7.70 4.22 0.00 1.88 1.87 0.00 1.59 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.45 7.81 30 E 8.22 4.17 0.00 2.22 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 0.00 2.34 2.40 0.00 31 R 7.75 4.63 0.00 1.89 1.78 0.00 3.41 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 32 G 8.08 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 33 A 7.68 4.39 1.17 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 34 K 9.25 3.98 0.00 1.63 1.54 0.00 1.39 0.00 0.00 1.44 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.00 1.18 7.81 35 V 8.12 4.49 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 0.80 0.00 0.00 0.83 0.00 0.00 36 I 8.72 4.40 1.53 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.45 1.14 0.00 0.00 37 V 8.35 4.35 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 1.09 0.00 0.00 0.93 0.00 0.00 38 M 8.71 4.12 0.00 2.16 2.35 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 2.93 2.90 0.00 39 S 8.12 4.29 0.00 3.91 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 40 D 8.42 4.52 0.00 2.84 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 41 V 7.83 3.68 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 1.13 0.00 0.00 1.03 0.00 0.00 42 V 7.75 3.70 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 1.15 0.00 0.00 1.04 0.00 0.00 43 R 8.47 4.03 0.00 2.22 2.12 0.00 3.33 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 44 K 8.64 4.17 0.00 1.86 1.71 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.35 7.81 45 R 8.39 4.42 0.00 2.26 2.29 0.00 3.25 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 46 Y 8.68 3.02 0.00 3.18 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 47 S 7.79 4.14 0.00 3.98 4.22 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 48 I 7.63 4.27 2.06 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 1.60 0.63 0.95 0.00 0.00 49 E 7.26 4.53 0.00 2.08 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 2.33 2.61 0.00 50 A 8.29 3.92 1.04 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 *53 G 8.34 3.83 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 0.00 0.00 0.00 54 E 8.85 4.05 0.00 1.98 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 2.32 0.00 55 R 8.99 4.48 0.00 1.96 2.04 0.00 3.17 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 56 L 7.89 4.04 0.00 1.53 1.61 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 57 M 8.67 3.99 0.00 2.15 2.02 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 2.74 2.67 0.00 58 D 8.32 4.43 0.00 2.98 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.52 4.44 0.00 3.23 3.46 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 60 A 8.30 3.97 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 61 K 8.36 4.04 0.00 1.77 1.83 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.33 7.81 62 R 8.10 4.10 0.00 1.83 1.96 0.00 3.26 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 63 L 7.64 4.30 0.00 1.72 1.73 0.38 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 64 R 7.93 4.92 0.00 1.88 1.96 0.00 3.13 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 65 E 7.76 4.02 0.00 2.06 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 0.00 2.26 2.22 0.00 66 I 8.12 4.11 1.24 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.01 0.15 0.00 0.00 67 Y 8.51 4.59 0.00 3.05 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 68 G 7.41 4.34 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 0.00 69 D 7.48 4.20 0.00 2.73 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.58 3.70 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 0.00 0.00 0.00 71 V 7.89 3.64 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 1.05 0.00 0.00 0.87 0.00 0.00 72 V 7.71 3.54 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.95 0.00 0.00 73 A 7.19 3.16 0.37 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 74 R 7.64 3.66 0.00 1.91 1.91 0.00 3.04 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 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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 0.00 84 N 7.81 4.85 0.00 2.72 3.09 0.00 0.00 6.69 8.16 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 85 H 7.97 5.03 0.00 3.07 3.16 0.00 5.70 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 86 D 8.80 4.43 0.00 2.66 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 87 L 7.78 4.92 0.00 1.64 1.41 0.85 0.84 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 88 V 8.20 4.57 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.89 0.00 0.00 89 V 8.79 4.65 1.93 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 0.70 0.00 0.00 0.73 0.00 0.00 90 F 8.80 5.11 0.00 2.61 2.79 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 91 D 9.17 4.77 0.00 2.74 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.68 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 0.00 109 S 7.90 4.49 0.00 3.86 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.49 4.56 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 0.77 0.00 0.00 0.95 0.00 0.00 111 Y 9.30 5.03 0.00 3.00 2.99 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 0.00 112 I 8.48 4.73 2.03 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 1.28 0.81 1.01 0.00 0.00 113 V 8.89 4.93 2.38 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 1.04 0.00 0.00 1.11 0.00 0.00 114 A 8.89 4.91 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 0.00 115 V 8.63 4.54 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 1.00 0.00 0.00 1.16 0.00 0.00 116 H 10.51 4.87 0.00 3.34 3.18 0.00 5.86 0.00 0.00 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0.98 7.81 137 E 7.71 4.51 0.00 1.88 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 2.27 1.89 0.00 138 I 8.42 3.56 1.76 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 1.64 0.54 0.71 0.00 0.00 139 S 7.98 4.04 0.00 4.00 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 0.00 140 E 8.10 3.89 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 141 L 7.62 3.88 0.00 1.26 1.34 0.79 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.53 3.76 1.94 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.96 0.94 0.00 0.00 143 R 8.24 4.00 0.00 1.82 1.94 0.00 3.28 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 1.57 1.52 0.00 144 R 8.37 4.22 0.00 1.77 1.98 0.00 3.24 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 145 D 8.63 4.70 0.00 3.00 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 0.00 146 R 7.98 4.05 0.00 1.82 1.94 0.00 3.28 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 147 E 8.33 4.21 0.00 2.03 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 2.26 2.20 0.00 148 E 8.10 4.32 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 149 L 8.49 4.13 0.00 1.88 1.72 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 150 K 8.31 4.09 0.00 1.83 1.74 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.39 1.36 7.81 151 L 7.56 4.44 0.00 1.88 1.78 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 152 G 7.94 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 I 7.52 3.96 1.91 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 1.57 1.78 0.98 0.00 0.00 154 G 8.13 3.69 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 0.00 0.00 0.00 155 E 8.16 4.04 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 2.34 2.44 0.00 156 V 7.62 3.64 2.25 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 0.92 0.00 0.00 1.05 0.00 0.00 157 I 7.88 3.90 2.07 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 1.51 0.51 0.93 0.00 0.00 158 A 7.88 4.05 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 0.00 159 M 7.84 4.36 0.00 2.00 2.11 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 2.59 2.82 0.00 160 A 7.05 4.20 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 0.00 161 D 8.88 4.63 0.00 2.93 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 0.00 162 Y 7.80 4.80 0.00 2.88 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 I 8.37 5.09 1.89 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 1.39 0.65 0.95 0.00 0.00 164 I 8.58 4.29 1.78 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.72 0.76 0.00 0.00 165 T 8.42 4.90 4.32 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 1.25 0.00 0.00 166 N 9.38 4.88 0.00 2.60 3.06 0.00 0.00 6.96 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 0.00 167 D 8.47 4.54 0.00 2.78 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 0.00 168 S 8.31 4.09 0.00 4.09 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 0.00 169 N 8.68 3.84 0.00 2.85 2.82 0.00 0.00 6.77 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 Y 8.66 4.25 0.00 3.11 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 0.00 171 E 8.24 3.80 0.00 2.04 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 0.00 2.30 2.35 0.00 172 E 8.85 3.72 0.00 2.14 1.93 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 2.34 2.50 0.00 173 F 8.39 4.04 0.00 3.02 3.25 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 0.00 174 K 8.24 3.49 0.00 1.13 1.57 0.00 1.46 0.00 0.00 1.56 0.00 0.00 3.07 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.54 1.34 7.81 175 R 7.92 3.83 0.00 1.88 1.92 0.00 3.34 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 1.56 1.51 0.00 176 R 7.86 3.99 0.00 1.81 1.99 0.00 3.22 0.00 0.00 3.34 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.31 0.00 177 C 7.81 3.82 0.00 2.88 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 0.00 178 E 8.20 3.88 0.00 1.96 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 2.26 2.23 0.00 179 E 8.28 4.00 0.00 2.09 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 0.00 2.37 2.24 0.00 180 V 7.38 3.16 1.79 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 0.41 0.00 0.00 0.87 0.00 0.00 181 T 7.89 3.98 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 1.23 0.00 0.00 182 D 7.87 4.34 0.00 2.61 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 0.00 183 R 7.84 4.10 0.00 1.89 1.84 0.00 3.22 0.00 0.00 3.15 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 184 V 7.18 4.07 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.38 0.00 0.00 185 L 7.65 4.29 0.00 1.78 1.43 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.