NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.5393 8.1933 115.3010 57.8808 64.4687 174.9827 8 S 4.3914 7.9280 115.5019 60.5374 62.8564 174.4854 9 R 3.9916 8.3209 121.2801 59.4092 30.3456 177.9811 10 F 4.2534 8.3394 119.5686 61.5585 39.4558 176.9581 11 S 3.8511 7.5976 109.8605 61.3034 62.1327 176.1441 12 I 3.7245 8.2493 122.8360 64.2203 36.8240 178.3294 13 A 3.9560 8.2152 121.8452 54.9828 18.3010 179.6577 14 V 3.3766 7.3379 116.5972 66.4741 31.5523 177.7180 15 H 4.1916 8.1450 117.6846 59.3090 29.7123 177.0696 16 I 3.6943 8.4108 121.9574 64.6372 36.7740 178.4193 17 L 4.0204 8.2864 118.4662 57.8274 41.7692 179.5967 18 S 4.3965 8.1385 115.1213 61.5805 62.9828 176.5497 19 I 3.8298 7.9378 122.5273 64.6296 36.6665 178.5425 20 L 4.0918 7.8760 118.4767 57.3778 41.4156 179.2369 21 K 4.0277 7.7168 119.1702 58.4368 32.1810 177.5969 22 N 5.1071 7.5797 113.9895 52.2348 37.8040 174.0076 23 N 5.0588 7.8495 114.1669 51.5636 43.0346 172.8259 24 P 4.4658 0.0000 0.0000 62.3447 32.4187 177.4365 25 S 4.9142 9.0113 116.8890 61.2988 62.4677 176.7084 26 S 4.2196 7.9106 115.6861 60.2887 63.0695 175.4660 27 L 3.9796 7.5339 123.7571 57.0719 43.2262 177.2222 28 C 4.5274 7.6383 117.2999 58.9564 26.2808 172.6835 29 T 4.5177 7.3661 111.0528 59.9041 70.9534 175.9657 30 S 4.2720 8.8630 119.2316 62.2563 63.1523 175.9119 31 D 4.4753 8.3634 119.1882 57.8984 40.8039 178.6389 32 Y 3.9966 8.3549 116.5546 58.8539 38.9577 177.5633 *34 A 4.2040 8.0573 122.7373 51.9408 20.7770 179.4324 35 E 3.8116 8.4294 116.7151 59.5548 30.0011 178.9413 36 S 3.8688 7.6603 113.5149 61.6360 62.7642 176.0763 37 V 3.6083 7.4861 116.0947 62.7572 31.8271 174.5463 38 N 4.0960 7.6187 116.0285 55.5091 37.2922 172.0667 39 T 4.6231 7.9305 111.3522 59.7680 71.2813 172.4740 40 N 4.8164 8.2702 118.8197 51.3972 40.2931 174.0050 41 P 4.2755 0.0000 0.0000 65.5592 31.2419 179.2145 42 V 3.5967 7.9909 117.4908 65.6627 31.3426 178.2601 43 V 3.5744 7.9074 117.5808 66.0159 31.3229 177.5034 44 I 3.6351 7.2210 117.7354 64.8394 37.1085 178.1976 45 R 4.0044 7.7156 116.9300 58.9201 30.0807 178.7965 46 K 3.8724 7.6375 119.4212 59.3015 32.3260 180.9723 47 I 4.1125 7.4189 120.5484 61.2074 36.9865 178.5029 *49 S 4.3514 8.1017 117.2778 58.9485 65.1077 176.0065 50 Y 4.4139 7.5060 117.4594 61.4535 37.5949 179.0079 51 L 4.1283 8.2466 119.6713 57.3534 41.5653 179.6481 52 K 4.1859 7.7484 120.6805 59.2211 32.1296 178.7944 53 Q 3.9313 8.5224 116.9577 58.5446 28.6849 177.8960 54 A 4.0964 7.5560 119.2169 51.6218 18.7540 177.9247 55 G 3.8008 7.6941 105.5732 45.8685 0.0000 174.8197 56 F 4.9608 7.9213 120.6749 59.1613 39.9067 176.0340 57 V 5.1214 7.7745 110.2703 59.7927 36.0062 173.9252 58 Y 4.8716 8.3625 120.1174 55.4092 41.0907 174.7588 59 V 4.6191 8.3554 119.7545 61.3767 34.3360 174.1617 60 N 5.0641 9.1726 125.7313 51.8793 40.6228 174.5961 61 R 4.5192 8.3703 121.5585 55.8497 32.5093 178.0696 62 G 3.6541 8.1687 103.2101 46.1445 0.0000 171.4190 63 P 4.3155 0.0000 0.0000 61.8690 31.9397 177.1406 64 G 3.6603 8.8339 113.1892 45.4204 0.0000 172.4635 65 G 4.1072 8.1202 109.0345 46.2533 0.0000 171.4419 66 A 4.6964 8.0313 120.4753 50.8019 23.3776 175.6083 67 G 3.8503 6.6957 104.2655 45.7412 0.0000 172.3119 68 L 4.9238 8.6124 119.7121 54.4346 42.0466 177.4838 69 L 4.6692 8.9089 122.2543 55.0224 42.9347 177.0348 70 K 4.6764 7.8458 117.1292 53.9469 35.6991 175.6819 71 D 4.4322 9.1809 123.3881 54.1811 41.5366 177.5324 72 L 3.8658 8.7287 123.7674 58.2999 41.7159 179.0208 73 H 4.3942 8.1488 111.7085 57.3933 28.5565 175.5102 74 E 4.2842 8.3029 118.9940 56.2596 29.8725 175.6561 75 I 4.1911 7.3194 120.8086 59.2762 38.9057 176.1682 76 T 4.4318 8.4698 116.8507 60.8572 71.1730 175.7267 77 L 4.2042 8.4965 122.0130 57.8485 41.5325 179.7017 78 L 3.9619 7.9238 119.9390 57.7165 42.0317 178.5779 79 D 4.5177 8.1236 119.2840 57.2984 40.8049 178.5412 80 V 3.8242 7.7690 118.7002 66.4097 31.3227 177.2886 81 Y 4.1887 8.3180 117.7716 61.2295 38.9465 177.4058 82 H 4.3875 8.8652 117.2439 59.0501 28.5965 177.6753 83 A 4.0342 8.1542 121.5373 54.5984 18.3463 179.1199 84 V 3.5667 7.3644 107.5384 60.7690 33.4046 176.4472 85 N 4.6148 7.1609 119.0105 51.0729 37.5344 176.2179 86 V 4.2388 6.5846 117.9952 59.2796 32.9788 173.5754 *103 C 4.3230 8.0101 122.7404 57.8647 32.0320 172.5990 104 P 4.2313 0.0000 0.0000 66.5081 30.8223 178.9231 105 I 3.8490 7.8022 119.3131 63.5075 36.9679 178.6071 106 G 3.5425 8.0220 106.2477 47.7837 0.0000 175.6000 107 A 4.0220 8.1654 123.5025 54.6962 18.4272 179.5584 108 N 4.2787 8.3927 115.3002 56.4525 38.5999 177.6594 109 I 3.6962 7.7450 121.1337 64.6062 37.1633 178.5676 110 Q 3.9788 8.2993 118.7109 58.7352 28.5120 178.7902 111 A 3.9358 7.9655 121.7302 55.2960 18.5437 179.7391 112 V 3.5608 7.6452 116.4408 66.2438 31.4612 178.2609 113 L 4.0117 8.1542 118.6860 57.7310 41.3858 179.1974 114 E 3.9753 8.4759 118.8585 59.6411 29.4466 179.5572 115 I 3.7337 7.8445 119.6858 64.2643 37.0289 178.7189 116 I 3.7287 7.5332 120.2646 64.4124 36.9704 178.1799 117 L 3.9967 8.2648 120.2287 58.1018 41.3384 179.8350 118 I 3.7051 8.0740 119.8828 64.4969 36.9620 178.4923 119 Q 3.9581 8.1293 118.6771 58.7555 28.2740 178.7641 120 A 3.9240 8.1511 121.3081 55.1451 18.5483 178.9138 121 Q 4.0232 7.9778 116.9183 59.6721 29.3619 178.6685 122 S 4.2874 8.3162 115.8387 61.3559 62.4125 177.1654 123 A 3.7875 8.0267 120.5053 53.0336 18.0291 178.9054 *125 E 3.9690 8.1791 122.3233 57.7355 31.9464 178.1126 126 E 3.9360 8.0405 119.2568 59.0698 29.3569 178.9716 127 V 3.5466 7.1681 116.9566 66.0991 31.4927 177.7827 128 L 4.0878 7.6796 118.2067 57.5732 41.2817 179.0932 129 R 3.9715 8.1185 118.4130 59.3347 30.0735 177.4261 130 N 4.6879 7.7852 112.8297 52.4845 39.3895 174.5880 131 I 4.8905 7.1408 120.4348 59.3935 42.0504 174.0131 132 T 4.5958 8.8527 116.2797 61.6150 67.8229 177.2590 *134 G 3.9331 8.7541 107.2280 45.6142 0.0000 174.4938 135 Q 3.9498 8.3268 118.3461 58.6927 29.0533 177.8492 136 L 4.1036 8.0203 121.4131 58.4816 42.1469 178.9058 137 F 4.1281 8.2531 119.7588 61.3467 39.1791 176.7225 138 E 4.0784 8.1816 117.2716 58.9401 29.3174 178.5579 139 T 4.1429 7.6031 108.0411 62.7814 69.2794 174.6665 140 L 4.0623 7.3812 126.7431 55.0641 41.7010 176.4402 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 7 S 8.19 4.54 0.00 3.95 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 8 S 7.93 4.39 0.00 4.03 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 9 R 8.32 3.99 0.00 1.94 2.12 0.00 3.25 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 10 F 8.34 4.25 0.00 3.24 3.38 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 11 S 7.60 3.85 0.00 3.96 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 12 I 8.25 3.72 2.01 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 1.47 0.87 0.91 0.00 0.00 13 A 8.22 3.96 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 V 7.34 3.38 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 0.88 0.00 0.00 0.31 0.00 0.00 15 H 8.14 4.19 0.00 3.34 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 I 8.41 3.69 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.71 0.91 0.00 0.00 17 L 8.29 4.02 0.00 1.68 1.69 0.86 0.93 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 18 S 8.14 4.40 0.00 4.18 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 19 I 7.94 3.83 2.05 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 1.57 1.01 1.09 0.00 0.00 20 L 7.88 4.09 0.00 1.58 1.67 0.87 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.72 4.03 0.00 1.43 1.67 0.00 1.42 0.00 0.00 1.40 0.00 0.00 2.95 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.30 0.96 7.81 22 N 7.58 5.11 0.00 3.10 3.14 0.00 0.00 6.82 7.92 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 23 N 7.85 5.06 0.00 2.80 2.59 0.00 0.00 7.15 8.02 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 24 P 0.00 4.47 0.00 2.17 2.15 0.00 3.61 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 1.98 1.90 0.00 25 S 9.01 4.91 0.00 4.18 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 0.00 26 S 7.91 4.22 0.00 4.02 4.03 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 0.00 0.00 0.00 27 L 7.53 3.98 0.00 1.43 1.47 0.68 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 28 C 7.64 4.53 0.00 3.07 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 29 T 7.37 4.52 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 1.26 0.00 0.00 30 S 8.86 4.27 0.00 3.87 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 31 D 8.36 4.48 0.00 2.74 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 32 Y 8.35 4.00 0.00 3.03 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *34 A 8.06 4.20 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.43 3.81 0.00 2.00 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 0.00 2.22 2.22 0.00 36 S 7.66 3.87 0.00 3.69 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 37 V 7.49 3.61 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 0.74 0.00 0.00 0.69 0.00 0.00 38 N 7.62 4.10 0.00 2.83 2.84 0.00 0.00 6.82 8.72 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 39 T 7.93 4.62 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 1.18 0.00 0.00 40 N 8.27 4.82 0.00 3.01 2.91 0.00 0.00 5.98 7.76 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 41 P 0.00 4.28 0.00 2.16 2.13 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 42 V 7.99 3.60 2.27 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 0.97 0.00 0.00 0.92 0.00 0.00 43 V 7.91 3.57 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 1.01 0.00 0.00 0.93 0.00 0.00 44 I 7.22 3.64 1.98 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 1.71 1.14 0.89 0.00 0.00 45 R 7.72 4.00 0.00 1.74 1.93 0.00 3.14 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 46 K 7.64 3.87 0.00 1.85 1.78 0.00 1.28 0.00 0.00 1.53 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.32 1.09 7.81 47 I 7.42 4.11 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 1.65 0.46 0.99 0.00 0.00 *49 S 8.10 4.35 0.00 3.75 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 50 Y 7.51 4.41 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 51 L 8.25 4.13 0.00 1.77 1.88 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.75 4.19 0.00 1.82 1.96 0.00 1.78 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.41 7.81 53 Q 8.52 3.93 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.68 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 54 A 7.56 4.10 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.69 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 56 F 7.92 4.96 0.00 3.06 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 57 V 7.77 5.12 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 1.01 0.00 0.00 0.94 0.00 0.00 58 Y 8.36 4.87 0.00 3.08 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 59 V 8.36 4.62 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 0.83 0.00 0.00 0.91 0.00 0.00 60 N 9.17 5.06 0.00 3.01 2.94 0.00 0.00 6.43 7.18 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 61 R 8.37 4.52 0.00 1.79 1.83 0.00 3.21 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 62 G 8.17 3.65 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 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.32 0.00 2.07 2.02 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 64 G 8.83 3.66 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 0.00 65 G 8.12 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.03 4.70 1.13 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 0.00 0.00 0.00 0.00 0.00 67 G 6.70 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.61 4.92 0.00 1.57 1.80 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.91 4.67 0.00 1.77 1.80 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.85 4.68 0.00 1.75 1.67 0.00 1.85 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.62 7.81 71 D 9.18 4.43 0.00 2.68 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 72 L 8.73 3.87 0.00 1.60 1.77 0.55 0.94 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 73 H 8.15 4.39 0.00 3.25 3.42 0.00 5.51 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.30 4.28 0.00 1.99 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 2.17 1.88 0.00 75 I 7.32 4.19 1.62 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.57 0.18 0.00 0.00 76 T 8.47 4.43 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 77 L 8.50 4.20 0.00 2.03 2.02 1.07 0.48 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 78 L 7.92 3.96 0.00 1.77 1.65 0.72 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.12 4.52 0.00 2.83 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 80 V 7.77 3.82 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 1.08 0.00 0.00 0.93 0.00 0.00 81 Y 8.32 4.19 0.00 2.75 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 82 H 8.87 4.39 0.00 3.56 3.37 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.15 4.03 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 84 V 7.36 3.57 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.03 0.00 0.00 85 N 7.16 4.61 0.00 2.36 2.48 0.00 0.00 6.91 7.70 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 86 V 6.58 4.24 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 0.42 0.00 0.00 0.83 0.00 0.00 *103 C 8.01 4.32 0.00 3.20 3.14 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 0.00 104 P 0.00 4.23 0.00 2.28 2.36 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 105 I 7.80 3.85 1.87 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 1.57 0.46 0.91 0.00 0.00 106 G 8.02 3.54 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 0.00 0.00 0.00 0.00 107 A 8.17 4.02 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 0.00 108 N 8.39 4.28 0.00 3.00 2.87 0.00 0.00 6.95 6.74 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 0.00 109 I 7.74 3.70 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.85 0.91 0.00 0.00 110 Q 8.30 3.98 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 111 A 7.97 3.94 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 0.00 112 V 7.65 3.56 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 1.02 0.00 0.00 0.95 0.00 0.00 113 L 8.15 4.01 0.00 1.92 1.70 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.48 3.98 0.00 2.27 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 2.33 2.36 0.00 115 I 7.84 3.73 2.02 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 1.66 1.14 0.91 0.00 0.00 116 I 7.53 3.73 2.01 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 1.52 0.75 0.91 0.00 0.00 117 L 8.26 4.00 0.00 1.80 1.74 0.92 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 0.00 118 I 8.07 3.71 2.04 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 1.53 0.74 0.91 0.00 0.00 119 Q 8.13 3.96 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 120 A 8.15 3.92 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 0.00 121 Q 7.98 4.02 0.00 2.03 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 122 S 8.32 4.29 0.00 4.05 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 0.00 123 A 8.03 3.79 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 *125 E 8.18 3.97 0.00 2.13 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 2.01 2.23 0.00 126 E 8.04 3.94 0.00 2.29 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 127 V 7.17 3.55 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 0.85 0.00 0.00 0.89 0.00 0.00 128 L 7.68 4.09 0.00 1.69 1.66 0.15 0.65 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 0.00 129 R 8.12 3.97 0.00 1.73 2.12 0.00 3.26 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 130 N 7.79 4.69 0.00 2.76 2.83 0.00 0.00 6.76 7.31 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 0.00 131 I 7.14 4.89 1.88 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 1.39 1.52 0.96 0.00 0.00 132 T 8.85 4.60 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 1.25 0.00 0.00 *134 G 8.75 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.33 3.95 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 136 L 8.02 4.10 0.00 1.75 1.74 0.93 0.80 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 0.00 137 F 8.25 4.13 0.00 3.18 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 0.00 138 E 8.18 4.08 0.00 2.21 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 2.59 0.00 139 T 7.60 4.14 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 1.27 0.00 0.00 140 L 7.38 4.06 0.00 1.37 1.40 0.74 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.