NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4303 8.3344 115.4137 57.1286 64.6936 174.1514 2 L 4.0856 8.2240 118.4136 52.5608 45.4139 171.8457 3 S 4.6972 9.5014 121.7198 56.4936 64.5657 172.2660 4 I 4.6447 8.3678 127.7041 60.6097 41.0447 175.4317 5 G 4.2259 9.8623 108.7323 44.2327 0.0000 171.9188 6 R 4.7338 9.1434 116.9162 55.7541 33.1986 176.0991 7 T 4.5112 8.5372 108.0520 62.5355 70.3130 173.7408 8 C 5.3133 7.6586 122.3612 57.7269 34.6080 172.8996 9 W 5.1445 9.6633 125.2885 54.8256 32.9270 173.9933 10 A 5.2485 8.9130 124.7546 50.1786 21.5340 175.4821 11 I 4.4613 9.1278 122.3098 59.5543 39.2743 176.6373 12 A 3.8753 8.8027 130.8099 53.8778 18.8356 176.6594 13 E 4.3250 7.6746 115.9696 54.5529 31.8601 175.6848 14 G 3.5762 7.4896 111.8346 45.5904 0.0000 171.4606 15 Y 5.0583 8.4141 122.8146 57.9196 42.9110 172.9933 16 I 4.2315 7.9647 128.6037 58.6010 38.2004 173.5772 17 P 4.2772 0.0000 0.0000 62.0311 31.6700 175.5508 18 P 4.3613 0.0000 0.0000 62.7775 31.0304 175.9070 *31 E 4.1580 8.1769 119.7772 57.6545 31.1142 174.2201 32 T 4.8683 8.1309 122.7299 61.7258 73.0525 172.9987 33 V 4.2394 8.5036 126.7337 61.9876 33.0432 174.1888 34 C 4.9542 8.9041 126.7378 58.2753 30.1058 172.8500 35 I 4.8046 8.8372 124.6686 59.2164 40.4255 174.1022 36 L 4.7680 8.9651 128.7568 53.2112 44.2988 174.4791 37 N 5.1121 9.2915 125.7494 52.1142 39.8639 174.5363 38 A 4.3588 8.7368 128.3129 52.2851 19.6886 177.1765 39 G 4.0213 7.6218 105.8451 44.2074 0.0000 173.8103 40 D 4.7256 8.4669 117.1188 54.1256 41.4156 176.0602 41 E 4.7875 7.6334 119.9451 53.8761 32.2933 175.2291 42 D 4.7499 8.7975 125.2280 54.6132 42.0741 175.4296 43 A 4.6462 9.1601 124.6589 51.0510 20.5224 175.9361 44 H 5.0988 9.5775 121.7074 54.8085 30.0452 174.4405 45 V 4.6408 8.7828 124.8620 61.4678 33.5638 174.4493 46 E 5.3268 9.2843 126.5740 54.6708 32.9994 174.7243 47 I 5.1222 8.9780 125.0026 59.8800 40.4180 174.6103 48 T 5.1392 9.0634 122.9523 61.8918 71.5565 173.0701 49 I 4.9447 8.7377 126.7375 59.8902 39.6794 174.2247 50 Y 4.8373 9.1805 124.4662 56.4368 40.7892 174.4283 51 Y 5.1576 8.4639 119.2843 56.0177 41.4565 175.8765 52 S 4.4654 9.0727 114.1310 60.4145 63.5952 174.9202 53 D 4.8120 8.0523 116.8551 52.9638 41.0005 174.3590 54 K 4.6913 7.8006 117.4112 55.2437 35.6397 175.5404 55 E 4.1839 8.5763 119.1697 55.6627 29.9233 175.5508 56 P 4.5137 0.0000 0.0000 62.5980 32.2338 175.7160 57 V 4.3196 9.6935 119.3653 59.6665 33.6509 175.9599 58 G 4.0001 7.9311 113.8826 44.7190 0.0000 169.1464 59 P 4.7458 0.0000 0.0000 62.7977 32.3915 175.6481 60 Y 4.5997 9.2367 121.5763 57.0043 39.0741 174.5403 61 R 5.2819 8.6045 123.5001 54.6074 32.5228 175.3219 62 L 4.6447 8.6496 121.7385 55.1933 44.4476 173.9776 63 T 5.0553 8.4430 115.9317 61.7629 71.5485 173.8659 64 V 4.2919 8.7962 126.3948 60.3437 33.5590 173.2775 65 P 4.9077 0.0000 0.0000 62.0304 32.7446 175.7191 66 A 4.1133 8.9153 123.6096 53.5900 18.8426 177.9286 67 R 3.8920 8.3741 119.6246 56.2967 28.6787 176.2144 68 R 4.7900 7.6520 113.7643 54.7696 34.7356 174.8513 69 T 5.0207 8.2985 114.7241 60.8662 70.1577 173.4175 70 K 4.5764 8.8518 125.3502 55.6069 36.2200 173.9306 71 H 5.2243 8.8361 124.3364 54.2467 30.6565 174.2040 72 V 4.2513 9.0487 124.5835 61.0210 33.9975 174.6519 73 R 4.6440 8.3449 127.1793 54.9899 31.4164 177.3693 74 F 4.1281 8.5547 121.8908 60.6084 39.2188 177.0271 75 N 4.2476 8.4458 117.7123 56.7673 38.5650 174.9560 76 D 4.6145 7.7911 115.3094 54.8982 41.4483 176.5322 77 L 4.3634 7.6933 121.1146 54.5734 42.1206 177.2303 78 N 5.0059 8.7911 116.2385 52.5373 40.6973 173.4974 79 D 4.7293 8.2231 119.6990 51.8351 42.0730 174.3830 80 P 4.3283 0.0000 0.0000 63.5842 32.0887 175.8135 81 A 4.4210 7.0774 118.6074 50.9517 21.4807 174.2943 82 P 4.9662 0.0000 0.0000 61.8998 32.1438 176.3251 83 I 4.1380 8.0474 122.0953 59.4211 37.7199 174.4808 84 P 4.3192 0.0000 0.0000 63.3089 31.5002 175.9056 85 H 4.4947 8.6136 117.8508 55.3897 29.7227 173.7834 86 D 4.2061 9.0463 116.7486 54.1767 40.3205 173.1425 87 T 4.8176 7.3917 111.7188 61.0509 71.8361 173.1115 88 D 5.1046 9.0021 126.6510 54.6722 41.6605 175.3957 89 F 5.1002 8.5044 116.7431 56.2086 41.6228 172.5314 90 A 4.8057 8.9143 119.5145 50.8352 23.0976 175.2180 91 S 5.3899 9.2735 112.8149 56.9620 67.2197 173.0560 92 V 4.9369 8.9909 121.1055 61.3232 34.2140 174.1564 93 I 5.0026 9.4682 128.9504 59.8493 39.4499 174.6568 94 Q 5.3711 9.3097 126.2534 54.4074 32.2715 174.6644 95 S 5.2645 9.1042 115.3361 56.4748 65.3904 173.9822 96 N 4.5611 8.9949 121.6890 54.8541 37.6433 175.5189 97 V 4.5760 7.3029 109.8625 58.2123 35.3515 173.2693 98 P 4.7407 0.0000 0.0000 63.0162 31.8104 175.7782 99 I 4.9083 8.9909 116.1925 59.3335 41.9709 173.8060 100 V 4.5487 8.5265 122.8188 61.0952 33.6642 174.5020 101 V 4.3930 5.8634 126.5113 60.7839 34.1531 174.2025 102 Q 4.4683 8.8388 128.1184 54.4971 32.6097 172.8776 103 H 4.9112 8.9200 125.2059 56.2094 31.7910 174.3195 104 T 3.8924 8.6366 119.8515 61.8797 68.0064 171.9893 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 S 8.33 4.43 0.00 4.05 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 2 L 8.22 4.09 0.00 1.78 1.68 0.93 0.39 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 3 S 9.50 4.70 0.00 3.83 3.74 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 4 I 8.37 4.64 1.92 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 1.37 0.81 0.96 0.00 0.00 5 G 9.86 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 9.14 4.73 0.00 1.65 1.81 0.00 2.29 0.00 0.00 2.62 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.83 0.00 7 T 8.54 4.51 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 8 C 7.66 5.31 0.00 2.94 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 9 W 9.66 5.14 0.00 3.24 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 10 A 8.91 5.25 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 11 I 9.13 4.46 2.01 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.96 0.98 0.00 0.00 12 A 8.80 3.88 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 E 7.67 4.32 0.00 1.83 1.65 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 0.00 2.12 2.23 0.00 14 G 7.49 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.41 5.06 0.00 2.89 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.96 4.23 1.63 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 1.55 0.94 0.64 0.00 0.00 17 P 0.00 4.28 0.00 2.25 2.24 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 18 P 0.00 4.36 0.00 2.23 2.21 0.00 3.92 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 *31 E 8.18 4.16 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.45 0.00 32 T 8.13 4.87 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 1.12 0.00 0.00 33 V 8.50 4.24 1.78 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 0.80 0.00 0.00 0.34 0.00 0.00 34 C 8.90 4.95 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.84 4.80 1.79 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 0.94 0.62 0.88 0.00 0.00 36 L 8.97 4.77 0.00 1.64 1.42 0.91 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 37 N 9.29 5.11 0.00 2.79 2.92 0.00 0.00 6.68 7.78 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 38 A 8.74 4.36 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 39 G 7.62 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.47 4.73 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 41 E 7.63 4.79 0.00 1.93 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 42 D 8.80 4.75 0.00 2.58 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 43 A 9.16 4.65 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 44 H 9.58 5.10 0.00 3.07 3.26 0.00 5.61 0.00 0.00 0.00 0.00 6.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.78 4.64 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 1.04 0.00 0.00 1.02 0.00 0.00 46 E 9.28 5.33 0.00 1.98 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 2.30 0.00 47 I 8.98 5.12 2.00 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 1.30 0.90 1.04 0.00 0.00 48 T 9.06 5.14 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 0.91 0.00 0.00 49 I 8.74 4.94 1.86 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.75 0.35 0.00 0.00 50 Y 9.18 4.84 0.00 2.84 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 51 Y 8.46 5.16 0.00 3.09 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 52 S 9.07 4.47 0.00 4.04 4.08 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 53 D 8.05 4.81 0.00 2.75 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 7.80 4.69 0.00 1.82 1.75 0.00 1.07 0.00 0.00 1.52 0.00 0.00 2.54 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.22 1.45 7.81 55 E 8.58 4.18 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 56 P 0.00 4.51 0.00 1.66 0.92 0.00 3.69 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.74 0.00 57 V 9.69 4.32 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 1.06 0.00 0.00 1.06 0.00 0.00 58 G 7.93 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 0.00 0.00 0.00 59 P 0.00 4.75 0.00 2.12 2.19 0.00 3.71 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 60 Y 9.24 4.60 0.00 2.97 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 61 R 8.60 5.28 0.00 1.69 1.84 0.00 3.22 0.00 0.00 3.27 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 62 L 8.65 4.64 0.00 1.75 1.74 0.91 0.69 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 63 T 8.44 5.06 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 1.28 0.00 0.00 64 V 8.80 4.29 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 0.83 0.00 0.00 0.92 0.00 0.00 65 P 0.00 4.91 0.00 2.11 1.96 0.00 3.68 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 66 A 8.92 4.11 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 67 R 8.37 3.89 0.00 1.96 2.00 0.00 3.07 0.00 0.00 3.23 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 68 R 7.65 4.79 0.00 1.76 1.75 0.00 3.24 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.68 0.00 69 T 8.30 5.02 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 70 K 8.85 4.58 0.00 1.81 1.55 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 1.40 7.81 71 H 8.84 5.22 0.00 2.99 3.14 0.00 5.72 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 9.05 4.25 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.83 0.00 0.00 73 R 8.34 4.64 0.00 2.06 1.82 0.00 3.32 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 74 F 8.55 4.13 0.00 3.23 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 75 N 8.45 4.25 0.00 2.69 2.90 0.00 0.00 6.99 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.79 4.61 0.00 2.84 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 77 L 7.69 4.36 0.00 1.88 1.39 0.86 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.79 5.01 0.00 2.82 2.91 0.00 0.00 5.94 8.06 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 79 D 8.22 4.73 0.00 2.67 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 P 0.00 4.33 0.00 2.05 1.96 0.00 2.20 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 81 A 7.08 4.42 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.97 0.00 2.08 2.03 0.00 3.75 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 83 I 8.05 4.14 1.61 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.29 0.25 0.00 0.00 84 P 0.00 4.32 0.00 2.16 2.02 0.00 3.79 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 1.94 1.80 0.00 85 H 8.61 4.49 0.00 3.09 3.33 0.00 5.87 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 9.05 4.21 0.00 2.56 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 87 T 7.39 4.82 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 88 D 9.00 5.10 0.00 2.69 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 89 F 8.50 5.10 0.00 2.67 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 90 A 8.91 4.81 1.21 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 0.00 0.00 91 S 9.27 5.39 0.00 4.10 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 92 V 8.99 4.94 2.37 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 1.17 0.00 0.00 0.97 0.00 0.00 93 I 9.47 5.00 2.06 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.84 0.97 0.00 0.00 94 Q 9.31 5.37 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.68 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 95 S 9.10 5.26 0.00 3.91 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 96 N 8.99 4.56 0.00 2.88 2.96 0.00 0.00 5.86 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 97 V 7.30 4.58 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 0.77 0.00 0.00 0.99 0.00 0.00 98 P 0.00 4.74 0.00 1.99 2.18 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 99 I 8.99 4.91 1.86 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 1.29 1.06 1.01 0.00 0.00 100 V 8.53 4.55 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 0.74 0.00 0.00 1.01 0.00 0.00 101 V 5.86 4.39 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 0.00 0.00 0.58 0.00 0.00 0.25 0.00 0.00 102 Q 8.84 4.47 0.00 1.95 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.56 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 103 H 8.92 4.91 0.00 3.25 3.18 0.00 5.79 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 0.00 104 T 8.64 3.89 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.