NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.5908 8.4249 119.2079 53.5054 38.8220 172.8524 3 I 3.9304 7.8549 123.8967 58.6819 36.0340 174.3410 4 Y 4.4315 8.3989 124.7849 58.8238 39.9049 175.8351 5 K 4.3803 7.0854 121.0234 55.3430 35.7573 173.7224 6 L 5.2245 8.5782 129.4670 53.2707 44.5422 175.2385 7 I 4.7891 9.1056 119.2921 59.2094 41.5834 174.2034 8 G 4.9636 8.6545 109.1972 44.8009 0.0000 172.2745 9 R 4.5396 8.3868 121.3680 54.5615 32.7160 175.9615 10 N 4.0846 9.6280 121.3133 53.5334 35.7888 173.8501 11 L 4.3507 7.5931 116.2502 54.1090 44.9897 173.3363 12 E 4.3754 8.6506 126.5067 55.1440 30.5675 176.3979 13 I 4.1055 8.0656 127.7825 60.4877 36.1200 176.1823 14 T 4.3279 7.8363 117.1283 60.8525 71.7374 174.6794 15 D 4.4429 8.5776 119.1218 57.0114 40.7334 178.6803 16 A 4.0107 7.9550 121.2732 55.2757 18.5944 179.3766 17 I 3.7604 7.6052 117.9372 64.7080 37.1521 178.7872 18 R 3.9397 8.1268 119.3798 59.3070 29.7861 178.0513 19 D 4.3204 8.1770 118.0388 57.0741 41.2764 177.4995 20 Y 3.7564 8.0080 120.1774 60.7407 38.7784 178.3892 21 V 3.6102 7.9408 119.0296 65.8362 31.5552 177.9527 22 E 3.8900 7.7976 118.5198 59.3834 29.1682 179.4250 23 K 3.8909 7.7839 117.0706 59.2011 32.2144 179.3257 24 K 3.9206 7.7485 118.6100 59.6004 32.1696 179.5375 25 L 3.9766 7.9333 118.7374 57.5110 41.5683 179.2943 26 A 3.9969 8.0198 120.8781 55.0309 18.0432 179.5719 27 R 3.7985 7.6632 116.8545 59.7813 29.9584 179.0742 28 L 4.3666 7.6361 116.6920 57.8347 41.7766 178.8494 29 D 4.5356 8.0076 118.9889 56.7358 40.6441 177.2068 30 R 4.6393 7.0834 114.0541 56.9747 29.6254 176.4161 31 Y 4.9375 7.4087 112.9397 58.1256 40.1156 175.1709 32 Q 4.6124 7.2204 115.4439 55.7449 31.6570 174.0944 33 D 4.4331 9.0554 119.5114 57.3623 41.1464 177.9563 34 G 3.7966 7.8963 106.0973 45.4939 0.0000 172.6319 35 E 4.1802 8.4784 121.7496 55.7703 30.5160 175.8281 36 L 5.4248 8.1888 122.6482 51.9758 45.2984 175.2785 *38 A 4.3547 8.3060 119.2779 52.2835 20.4564 175.8020 39 K 4.2682 8.6068 121.1577 54.2671 35.2396 175.0129 40 V 4.6651 9.0833 127.4954 61.0547 34.5057 174.0471 41 V 4.7372 8.8161 128.5413 61.2594 33.6138 174.1398 42 L 5.3532 9.1680 128.5918 53.3126 44.7840 175.7599 43 S 5.0082 8.6964 115.2989 57.5333 66.9223 172.9032 44 L 5.1362 8.4358 120.7773 53.0089 43.4267 175.9876 45 A 4.6231 9.0962 126.1302 49.5778 21.3152 177.8187 46 G 3.7772 8.2239 108.2603 45.6600 0.0000 172.4041 *53 K 4.4030 7.8297 122.1926 56.5057 34.3252 174.4086 54 A 5.2452 9.5176 129.2396 50.1080 22.5017 174.7631 55 R 5.0833 9.0112 120.3293 54.4051 34.1012 174.2535 56 A 4.7637 9.4198 126.5206 50.4146 22.0401 174.7804 57 E 4.9203 9.1226 123.0076 55.4967 31.6563 175.5329 58 I 4.9000 8.5512 125.8388 59.3222 40.6919 174.4896 59 Q 5.1395 9.0768 128.0739 54.1275 32.0238 174.2518 60 V 4.7127 8.7521 125.9519 59.9549 34.5286 174.2709 61 D 5.1606 8.7282 124.3886 53.2888 42.5720 175.6294 62 L 4.7932 8.3353 121.6835 52.8884 43.9523 173.7628 63 P 4.3328 0.0000 0.0000 64.0058 31.3761 177.0508 64 G 3.9883 9.1047 110.8221 44.8588 0.0000 173.6816 65 G 4.1461 7.1144 106.4784 46.6720 0.0000 171.6942 66 L 4.7031 8.0747 118.7052 53.9448 44.9945 175.2114 67 V 4.5451 8.4808 124.3374 61.1042 35.0591 173.8935 68 R 5.0413 8.7185 126.9987 54.6857 32.5781 174.6234 69 V 4.6109 8.6874 119.0072 59.5713 35.4802 174.4382 70 E 5.0618 8.6079 122.7362 54.8028 32.3120 174.3016 71 E 4.8630 9.2906 126.2095 54.5900 33.2602 174.9454 72 E 5.1922 8.2820 121.6085 54.9865 33.1890 174.3188 73 D 4.4369 8.6607 119.4843 53.9419 45.0315 176.9099 74 A 3.4884 8.9727 124.8102 53.9337 19.0898 177.9203 75 D 4.9149 9.1437 116.1633 51.9355 44.2340 176.3036 76 L 3.9522 8.3595 128.4008 58.8494 42.2965 178.9020 77 Y 4.0627 8.0168 115.7306 60.9973 37.7158 178.4739 78 A 4.0966 8.1630 121.7629 54.8666 18.4609 179.5992 79 A 3.9916 7.9401 119.2011 55.3174 18.4891 179.8958 80 I 3.7157 7.8997 118.3871 64.5346 37.1434 178.3093 81 D 4.4120 8.3379 119.7052 57.5188 40.6684 178.9637 82 R 3.9941 8.1115 118.8255 59.2116 29.9995 178.0613 83 A 3.9793 8.0625 120.6393 55.5109 18.3709 179.8066 84 V 3.5247 7.9149 116.3605 66.1233 31.3200 177.8519 85 D 4.3806 8.2239 118.7202 57.5941 40.7037 179.1355 86 R 3.9393 8.2310 118.6002 59.1450 30.0439 178.8839 87 L 3.9975 8.2716 120.3835 57.9211 42.0974 178.7202 88 E 3.9479 8.2936 119.6963 59.4845 29.5664 178.5819 89 T 3.7592 7.5449 115.7112 66.5382 68.4093 176.2020 90 Q 4.0586 8.0859 119.6298 59.5109 28.7255 179.9390 91 V 3.5256 7.6977 117.6316 65.6774 31.9465 177.7691 92 K 3.8816 7.6795 118.0187 59.4399 32.3331 179.3842 93 R 4.0171 7.8331 118.4555 58.6271 30.0474 178.1908 94 F 4.0387 7.7590 116.1155 58.7413 38.8915 175.4636 95 R 4.1624 7.7554 122.8304 56.5069 29.8316 176.3213 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 2 N 8.42 4.59 0.00 2.90 2.90 0.00 0.00 7.06 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 3 I 7.85 3.93 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 1.41 0.73 0.80 0.00 0.00 4 Y 8.40 4.43 0.00 2.95 3.07 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 0.00 0.00 0.00 0.00 5 K 7.09 4.38 0.00 1.92 1.42 0.00 1.74 0.00 0.00 1.80 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.43 7.81 6 L 8.58 5.22 0.00 1.56 1.46 0.97 1.00 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 7 I 9.11 4.79 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 1.14 0.77 0.91 0.00 0.00 8 G 8.65 4.96 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 0.00 0.00 0.00 9 R 8.39 4.54 0.00 1.75 1.84 0.00 3.23 0.00 0.00 3.34 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 10 N 9.63 4.08 0.00 2.97 2.95 0.00 0.00 6.91 7.85 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 11 L 7.59 4.35 0.00 1.53 1.48 0.92 0.96 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 12 E 8.65 4.38 0.00 1.96 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 2.25 2.32 0.00 13 I 8.07 4.11 1.88 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 1.48 0.95 0.92 0.00 0.00 14 T 7.84 4.33 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 1.25 0.00 0.00 15 D 8.58 4.44 0.00 2.77 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 16 A 7.96 4.01 1.40 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 0.00 0.00 0.00 17 I 7.61 3.76 1.93 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 1.62 1.00 0.97 0.00 0.00 18 R 8.13 3.94 0.00 1.97 1.99 0.00 3.09 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.64 0.00 19 D 8.18 4.32 0.00 2.99 2.68 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 0.00 0.00 0.00 0.00 20 Y 8.01 3.76 0.00 3.01 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 21 V 7.94 3.61 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 0.95 0.00 0.00 1.06 0.00 0.00 22 E 7.80 3.89 0.00 2.16 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 2.30 2.47 0.00 23 K 7.78 3.89 0.00 1.45 1.71 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.52 7.81 24 K 7.75 3.92 0.00 1.65 1.73 0.00 1.52 0.00 0.00 1.37 0.00 0.00 2.22 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.76 1.27 7.81 25 L 7.93 3.98 0.00 1.72 1.68 0.87 0.83 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 26 A 8.02 4.00 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 27 R 7.66 3.80 0.00 1.84 2.00 0.00 3.09 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 28 L 7.64 4.37 0.00 1.69 1.85 0.93 0.98 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 29 D 8.01 4.54 0.00 2.85 2.68 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 0.00 0.00 0.00 0.00 30 R 7.08 4.64 0.00 1.66 1.82 0.00 2.21 0.00 0.00 2.83 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.37 0.00 31 Y 7.41 4.94 0.00 3.07 2.90 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 32 Q 7.22 4.61 0.00 2.28 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 33 D 9.06 4.43 0.00 2.70 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 34 G 7.90 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 35 E 8.48 4.18 0.00 1.94 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 2.30 2.33 0.00 36 L 8.19 5.42 0.00 1.53 1.57 0.93 0.86 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 *38 A 8.31 4.35 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 39 K 8.61 4.27 0.00 1.16 1.47 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.20 1.18 7.81 40 V 9.08 4.67 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 0.95 0.00 0.00 0.85 0.00 0.00 41 V 8.82 4.74 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 0.99 0.00 0.00 0.92 0.00 0.00 42 L 9.17 5.35 0.00 1.58 1.53 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.70 5.01 0.00 3.93 3.91 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 44 L 8.44 5.14 0.00 1.53 1.59 0.94 0.77 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 45 A 9.10 4.62 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 46 G 8.22 3.78 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 0.00 0.00 0.00 *53 K 7.83 4.40 0.00 1.92 1.83 0.00 1.54 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.52 7.81 54 A 9.52 5.25 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 55 R 9.01 5.08 0.00 1.85 1.73 0.00 3.04 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 56 A 9.42 4.76 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 57 E 9.12 4.92 0.00 1.91 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 2.24 2.26 0.00 58 I 8.55 4.90 1.85 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 1.09 0.80 0.87 0.00 0.00 59 Q 9.08 5.14 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 60 V 8.75 4.71 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 0.65 0.00 0.00 0.88 0.00 0.00 61 D 8.73 5.16 0.00 2.76 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.34 4.79 0.00 1.71 1.59 0.24 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.33 0.00 2.12 2.08 0.00 3.75 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 2.05 2.10 0.00 64 G 9.10 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 65 G 7.11 4.15 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 0.00 0.00 0.00 66 L 8.07 4.70 0.00 1.58 1.53 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 67 V 8.48 4.55 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 0.99 0.00 0.00 0.87 0.00 0.00 68 R 8.72 5.04 0.00 1.82 1.76 0.00 3.25 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.74 0.00 69 V 8.69 4.61 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 0.73 0.00 0.00 1.03 0.00 0.00 70 E 8.61 5.06 0.00 1.91 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 0.00 2.18 2.32 0.00 71 E 9.29 4.86 0.00 1.89 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 0.00 2.22 2.37 0.00 72 E 8.28 5.19 0.00 1.81 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 0.00 2.20 2.26 0.00 73 D 8.66 4.44 0.00 2.66 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 74 A 8.97 3.49 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 75 D 9.14 4.91 0.00 2.69 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.36 3.95 0.00 1.78 1.60 0.96 1.03 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 77 Y 8.02 4.06 0.00 2.96 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.16 4.10 1.47 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 0.00 0.00 0.00 79 A 7.94 3.99 1.41 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 0.00 0.00 0.00 80 I 7.90 3.72 2.15 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 1.03 1.01 0.00 0.00 81 D 8.34 4.41 0.00 3.01 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 82 R 8.11 3.99 0.00 2.07 1.94 0.00 3.52 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 83 A 8.06 3.98 1.42 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 84 V 7.91 3.52 2.20 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 1.08 0.00 0.00 0.97 0.00 0.00 85 D 8.22 4.38 0.00 2.93 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 86 R 8.23 3.94 0.00 2.00 1.98 0.00 3.23 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 87 L 8.27 4.00 0.00 2.00 1.75 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.29 3.95 0.00 2.30 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 0.00 2.36 2.62 0.00 89 T 7.54 3.76 4.39 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 1.19 0.00 0.00 90 Q 8.09 4.06 0.00 2.23 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.80 0.00 0.00 0.00 0.00 0.00 2.57 2.57 0.00 91 V 7.70 3.53 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 0.91 0.00 0.00 0.87 0.00 0.00 92 K 7.68 3.88 0.00 1.62 0.74 0.00 1.10 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.44 1.29 7.81 93 R 7.83 4.02 0.00 2.12 2.02 0.00 3.29 0.00 0.00 3.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 94 F 7.76 4.04 0.00 3.14 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 95 R 7.76 4.16 0.00 1.91 1.88 0.00 3.70 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.75 0.00 * Residues marked with a * may have inaccurate shift predictions.