NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3181 8.4444 118.7970 56.1089 30.9307 174.6076 3 S 4.4485 8.3954 115.9755 54.6758 65.1992 171.1657 4 N 4.8460 9.3868 124.3020 50.8096 41.1270 174.1711 5 L 3.9579 8.5482 118.3659 58.8300 41.8434 179.1410 6 T 3.9568 7.9155 115.4970 66.5703 68.4656 176.8709 7 T 3.8495 8.7037 112.0608 64.7660 68.6123 176.4892 8 A 3.9579 8.1360 123.4667 54.8333 18.4170 179.5236 9 A 3.9679 8.2808 119.6037 55.2694 18.3343 180.1149 10 S 4.1382 8.3870 114.1529 61.8661 63.0175 177.3217 11 V 3.6273 7.6602 114.9613 64.1822 31.2079 178.7441 12 I 3.6775 7.5759 119.5766 64.2745 36.9374 178.1076 13 A 3.9639 8.4316 121.7693 55.1817 17.9537 179.3150 14 A 3.9191 8.1901 118.9844 55.4879 18.3867 179.7563 15 A 3.9653 7.8464 118.5811 55.3179 18.5691 179.9064 16 L 3.9370 8.2559 117.4778 57.6232 41.6070 179.3457 17 A 4.0070 8.3701 121.2003 55.5983 18.1673 180.0857 18 V 3.8836 7.4115 108.8550 63.8589 31.9027 178.9189 19 G 3.6935 8.4779 106.3375 47.9026 0.0000 175.9538 20 I 3.8781 7.8746 122.7384 63.4754 37.0164 178.4691 21 G 3.8370 7.8694 104.4815 46.2402 0.0000 174.6176 22 S 4.6895 7.6793 117.0590 58.1127 63.7392 176.3398 23 I 3.7817 7.7437 124.7191 64.4698 36.9299 178.4088 24 G 3.5077 7.9423 105.8293 47.5067 0.0000 173.7626 25 P 4.4370 0.0000 0.0000 64.9707 31.4626 178.9895 26 G 3.5825 8.2477 104.4767 47.8037 0.0000 175.7906 27 L 4.1313 7.9927 121.9997 57.3582 41.6327 179.9186 28 G 3.5900 8.5933 106.0534 47.8932 0.0000 175.6716 29 Q 4.1321 8.5416 121.2450 58.6456 28.7267 179.2787 30 G 3.6265 7.9758 106.2325 47.8485 0.0000 175.5308 31 Q 3.9494 8.1138 121.9395 58.7710 29.1036 178.2193 32 A 3.9398 8.1815 121.6053 55.1849 18.5094 179.5351 33 A 4.0818 8.5028 119.9534 55.0934 18.4214 180.1119 34 G 3.5680 8.2483 104.3997 48.1761 0.0000 176.0596 35 Q 4.0465 8.1530 120.3125 58.3000 28.6260 178.7173 36 A 3.9547 7.9156 122.0416 55.2387 18.4877 179.9248 37 V 3.5338 7.8592 116.8438 66.0234 31.5770 177.8260 38 E 4.0504 8.2798 119.3168 59.1858 29.4148 179.0939 39 G 3.5993 8.2087 105.9236 47.7200 0.0000 175.8031 40 I 3.6961 8.0025 122.0472 64.1064 36.9109 178.2397 41 A 4.0289 7.7541 120.4608 55.3428 18.2519 179.4086 42 R 4.1304 7.7308 116.1705 58.5580 31.5883 177.0240 43 Q 4.6166 8.1096 119.3309 53.8757 30.1191 172.5827 44 P 4.3841 0.0000 0.0000 64.1376 32.0369 178.4720 45 E 3.9086 8.1575 117.6014 58.4187 29.9307 177.3090 46 A 4.5119 8.1488 119.9627 51.9665 18.8463 178.2239 47 E 3.9737 7.9665 122.3440 59.9951 29.6628 179.3356 48 G 3.6229 8.0441 105.1030 47.7551 0.0000 175.5916 49 K 3.9883 7.9665 120.6535 59.1762 32.1619 179.3617 50 I 3.6874 8.1185 120.3937 64.4859 37.0589 178.5380 51 R 4.0051 8.6346 120.0002 59.2521 29.8285 178.8618 52 G 3.5708 8.1944 105.6670 48.1191 0.0000 175.9574 53 T 3.9179 7.9802 118.4735 66.0153 68.4395 176.5145 54 L 3.9346 8.0735 122.3866 58.0466 42.1121 178.8395 55 L 3.9041 7.8794 120.1247 58.0660 41.9573 178.3518 56 L 4.0245 7.8748 120.3036 58.6656 42.0411 179.2879 57 S 4.1947 8.2148 114.7783 61.5384 62.5289 176.5930 58 L 4.0187 8.3257 120.8938 57.8292 41.4445 179.1480 59 A 4.1201 7.8532 119.5992 55.1731 18.3735 179.3326 60 F 4.0705 7.9843 115.5515 60.7042 38.9381 177.5280 61 M 4.3205 8.0001 116.8349 55.7436 32.1898 178.3335 *63 A 3.9132 8.0172 123.9641 52.0935 21.1428 179.6943 64 L 3.7258 7.3580 115.3645 58.5485 41.1772 180.0966 65 T 4.1505 7.6711 114.6200 66.3593 68.4547 176.9517 66 I 3.7443 7.3520 121.5668 64.3050 37.0963 177.5970 67 Y 4.5434 7.7201 117.9387 61.2474 37.6467 179.0223 68 G 3.7066 7.7148 105.4849 47.9398 0.0000 175.4985 69 L 3.9953 8.1530 123.0613 57.5405 41.9384 179.3097 70 V 3.6037 8.2565 118.9386 65.8557 31.4819 178.0189 71 V 3.5649 7.8550 117.8020 66.0516 31.3591 177.5397 72 A 4.0046 8.2603 120.6269 55.5495 18.1091 179.7151 73 L 4.2026 8.1030 117.2662 57.6728 41.5844 179.8958 74 V 3.6065 8.1559 118.6166 66.1671 31.3468 178.2109 75 L 3.9554 7.9741 117.0361 57.1223 41.4129 178.6358 76 L 4.2317 7.4090 117.1335 55.2082 42.5558 177.1527 77 F 4.8942 8.3602 113.7164 57.1379 40.8331 175.2135 78 A 4.7003 8.2601 124.6500 50.6716 19.0929 176.3917 79 N 4.4029 8.1730 119.9799 53.8097 39.6869 173.0382 80 P 4.1738 0.0000 0.0000 64.4736 31.7924 176.8844 81 F 4.9863 7.7133 116.0418 58.1158 41.2550 175.5930 82 V 4.0905 7.5839 117.0648 61.5645 32.4873 174.9792 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 E 8.44 4.32 0.00 2.10 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 2.18 2.31 0.00 3 S 8.40 4.45 0.00 3.87 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.39 4.85 0.00 2.88 2.89 0.00 0.00 6.23 6.66 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 5 L 8.55 3.96 0.00 1.72 1.68 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 6 T 7.92 3.96 4.38 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 1.29 0.00 0.00 7 T 8.70 3.85 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 1.24 0.00 0.00 8 A 8.14 3.96 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 9 A 8.28 3.97 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 10 S 8.39 4.14 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 11 V 7.66 3.63 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 0.90 0.00 0.00 0.98 0.00 0.00 12 I 7.58 3.68 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 1.60 0.87 0.91 0.00 0.00 13 A 8.43 3.96 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 14 A 8.19 3.92 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 15 A 7.85 3.97 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 16 L 8.26 3.94 0.00 1.85 1.74 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 17 A 8.37 4.01 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 18 V 7.41 3.88 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 0.80 0.00 0.00 1.05 0.00 0.00 19 G 8.48 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 20 I 7.87 3.88 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.57 0.93 0.00 0.00 21 G 7.87 3.84 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 0.00 0.00 0.00 22 S 7.68 4.69 0.00 4.00 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 23 I 7.74 3.78 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.77 0.92 0.00 0.00 24 G 7.94 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.44 0.00 2.16 2.32 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 2.28 2.16 0.00 26 G 8.25 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 27 L 7.99 4.13 0.00 1.87 1.73 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.59 3.59 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 0.00 0.00 0.00 29 Q 8.54 4.13 0.00 2.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.70 0.00 30 G 7.98 3.63 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 0.00 0.00 0.00 31 Q 8.11 3.95 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 32 A 8.18 3.94 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 33 A 8.50 4.08 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 34 G 8.25 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 Q 8.15 4.05 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 36 A 7.92 3.95 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 37 V 7.86 3.53 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 0.98 0.00 0.00 0.93 0.00 0.00 38 E 8.28 4.05 0.00 2.10 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 2.30 2.33 0.00 39 G 8.21 3.60 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 0.00 0.00 0.00 40 I 8.00 3.70 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 1.45 1.20 0.91 0.00 0.00 41 A 7.75 4.03 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 42 R 7.73 4.13 0.00 1.82 2.22 0.00 3.31 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 43 Q 8.11 4.62 0.00 2.11 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.53 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 44 P 0.00 4.38 0.00 2.21 2.09 0.00 3.92 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.11 0.00 45 E 8.16 3.91 0.00 1.92 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 0.00 2.29 2.30 0.00 46 A 8.15 4.51 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 47 E 7.97 3.97 0.00 2.08 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 2.31 2.48 0.00 48 G 8.04 3.62 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 0.00 0.00 0.00 49 K 7.97 3.99 0.00 1.96 1.87 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.53 7.81 50 I 8.12 3.69 2.06 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 1.40 0.70 0.91 0.00 0.00 51 R 8.63 4.01 0.00 1.87 1.97 0.00 3.09 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 52 G 8.19 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 7.98 3.92 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 1.20 0.00 0.00 54 L 8.07 3.93 0.00 1.93 1.83 0.93 0.41 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 55 L 7.88 3.90 0.00 1.92 1.82 0.93 0.59 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 56 L 7.87 4.02 0.00 1.88 1.90 1.20 1.12 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 57 S 8.21 4.19 0.00 4.06 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 58 L 8.33 4.02 0.00 1.73 1.75 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.85 4.12 1.34 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 60 F 7.98 4.07 0.00 3.12 3.16 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 61 M 8.00 4.32 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.58 0.00 *63 A 8.02 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.36 3.73 0.00 1.76 1.77 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 65 T 7.67 4.15 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 1.23 0.00 0.00 66 I 7.35 3.74 1.77 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 1.59 0.48 0.88 0.00 0.00 67 Y 7.72 4.54 0.00 3.15 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 68 G 7.71 3.71 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 0.00 0.00 0.00 69 L 8.15 4.00 0.00 1.77 1.86 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.26 3.60 2.32 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 1.06 0.00 0.00 1.06 0.00 0.00 71 V 7.86 3.56 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 1.06 0.00 0.00 0.96 0.00 0.00 72 A 8.26 4.00 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 73 L 8.10 4.20 0.00 2.12 1.86 1.10 0.79 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 74 V 8.16 3.61 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 1.09 0.00 0.00 0.96 0.00 0.00 75 L 7.97 3.96 0.00 1.84 1.71 0.94 0.90 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 76 L 7.41 4.23 0.00 1.44 0.74 0.80 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.36 4.89 0.00 3.11 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 78 A 8.26 4.70 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 79 N 8.17 4.40 0.00 2.76 2.71 0.00 0.00 7.28 7.69 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 80 P 0.00 4.17 0.00 0.99 1.71 0.00 3.53 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 0.60 1.45 0.00 81 F 7.71 4.99 0.00 3.06 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 82 V 7.58 4.09 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 0.81 0.00 0.00 1.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.