NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *34 L 4.3386 8.0314 120.7686 53.8674 43.1136 178.6688 35 G 3.4575 8.3323 110.2174 47.8354 0.0000 171.4377 36 V 3.7484 8.6721 122.0051 63.9911 32.9637 176.8957 37 T 3.6781 7.6439 118.5159 66.9418 68.3321 176.4713 38 R 3.8804 7.3760 122.6411 61.5698 29.3144 180.5193 39 N 4.4521 7.7234 117.2715 56.0999 38.5706 177.6594 40 K 3.9215 8.4570 120.1189 59.5191 32.0945 179.5445 41 I 3.3284 7.3049 119.9679 64.4906 36.9054 178.4478 42 M 4.0489 8.2120 119.7783 58.5719 31.6912 179.0122 43 T 3.8235 8.1807 115.9952 66.5167 68.6463 176.6282 44 A 4.0051 7.9606 122.6730 55.0568 18.3482 179.5121 45 Q 2.0000 7.6570 117.9896 58.5152 29.0385 177.6475 46 Y 4.0065 7.9183 120.7483 60.8735 38.8279 177.8634 47 E 3.8010 8.3382 120.1435 59.0981 29.5777 177.9793 48 C 4.1222 7.9126 118.5571 60.0104 43.3694 175.3035 49 Y 4.0360 7.7264 118.3936 60.9293 37.2372 178.5745 50 Q 3.8963 8.0780 121.7142 59.4375 27.2431 179.6534 51 K 4.0031 7.9448 124.6709 59.8231 31.5500 181.0686 52 I 4.2145 7.8498 120.5644 64.3834 37.0837 178.0199 53 M 4.2511 8.2003 118.4397 58.5363 32.1685 177.4076 54 Q 4.4652 8.0211 115.9609 54.0576 29.1256 174.9722 55 D 4.2317 6.7420 119.8668 53.2365 42.0540 175.7011 *60 A 3.8899 8.4146 124.0100 52.6051 19.3217 176.8129 *61 E 4.2745 8.6025 119.8861 58.1831 29.7699 170.6951 62 G 3.8235 8.6890 114.0356 43.7842 0.0000 172.0033 63 V 4.3596 8.3999 118.2039 60.5921 32.9890 170.8292 64 Y 5.0540 8.4961 122.2767 55.4175 42.4128 175.3909 65 C 4.7134 9.0938 121.9034 55.8334 41.6347 174.0311 66 N 5.1468 8.7635 122.4434 52.3705 38.3224 172.3649 67 R 4.5094 9.0126 120.9105 57.9519 30.6770 175.4450 68 T 4.8636 9.2815 118.9610 60.4048 71.8100 171.9534 69 W 5.1697 8.7285 135.0000 55.8325 31.5004 175.3689 70 D 4.2931 8.4008 126.9837 53.0564 39.5182 176.8902 71 G 3.6580 5.5552 107.4317 45.2479 0.0000 174.7271 72 W 5.2020 7.4701 115.7460 57.3407 32.3529 175.3044 73 L 5.0145 8.7944 116.5518 52.8619 44.8993 174.2123 74 C 5.3605 8.5882 120.7957 55.4161 46.1780 172.7061 75 W 4.9592 8.9859 125.2108 54.8012 31.9773 175.1891 76 N 5.1421 9.1492 121.7368 52.7613 39.2997 174.5555 77 D 5.1017 8.8030 120.5740 55.0944 41.6390 176.5145 78 V 4.8185 8.8634 120.6942 59.7284 35.0771 174.3644 79 A 3.5319 8.4187 123.4378 51.2889 19.4872 177.0396 80 A 3.7751 7.9149 124.4352 53.9314 18.8367 178.3186 81 G 3.8484 8.6150 109.9997 45.7560 0.0000 173.2114 82 T 4.6056 7.2495 114.7330 61.4573 71.7639 173.1602 83 E 4.9421 8.5656 124.8133 54.7706 31.1028 175.7628 84 S 4.8117 9.1700 124.1552 58.6436 64.7935 173.1036 85 M 5.6701 8.6067 120.1185 54.7675 35.3673 173.6689 86 Q 4.6106 8.9359 122.2704 54.4958 34.1587 173.8235 87 L 4.7052 8.2382 120.2070 54.4432 42.7254 178.0212 88 C 4.5718 9.1448 120.2377 56.5629 41.2004 172.1401 89 P 4.1780 0.0000 0.0000 62.5888 31.5498 175.1752 90 D 4.7036 7.8696 118.2083 53.8653 39.7350 177.4234 91 Y 4.0029 6.9587 120.0905 60.6712 38.1452 176.4981 92 F 4.8759 6.9245 119.3522 55.7112 42.1106 176.7444 93 Q 4.0821 8.8709 122.4732 57.9624 28.0084 176.6739 94 D 4.8645 8.1742 114.0097 53.6180 39.8821 175.7787 95 F 5.0324 8.1213 118.9919 56.2808 40.6779 175.1179 96 D 4.7279 8.5475 125.0218 51.7889 40.6822 175.2614 97 P 4.6326 0.0000 0.0000 64.3028 31.3471 177.4738 98 S 4.3420 8.4722 113.2359 59.4442 63.8774 174.1412 99 E 4.2403 8.2269 123.3727 56.0883 30.7297 175.3513 100 K 5.0038 8.4280 122.5648 54.8446 34.5740 175.8625 101 V 4.6093 9.1639 123.9783 61.3359 34.1315 174.5419 102 T 5.3056 8.2794 116.1109 59.9535 72.5751 172.6824 103 K 4.3381 8.5283 125.7814 55.5450 35.9234 175.2529 104 I 4.7926 8.4025 126.9531 59.3394 37.8875 171.8889 105 C 4.7954 8.8469 128.3491 53.7485 45.6661 173.3954 106 D 4.7684 9.0487 127.0713 52.6812 40.0214 177.1718 107 Q 3.9471 8.5528 117.6897 59.2160 28.5665 177.8390 108 D 4.4653 8.1759 114.6782 54.3883 41.0990 176.2287 109 G 3.7119 8.1665 108.0178 46.6560 0.0000 172.6223 110 N 5.0804 8.1334 116.1612 50.3046 41.8934 174.6287 111 W 4.6924 8.7575 123.1957 56.4922 30.1139 175.8132 112 F 4.2775 9.6565 126.7152 59.1362 39.9624 173.9490 113 R 4.8877 7.3828 123.6792 54.0278 32.8671 175.0686 114 H 3.9090 9.0519 124.6718 55.5653 30.1490 174.4540 115 P 3.7290 0.0000 0.0000 65.6870 31.4703 177.5807 116 A 4.1282 8.2032 121.2055 54.2812 18.6355 178.0079 117 S 4.3743 8.0051 108.2210 58.0803 64.4459 174.4680 118 N 4.3520 8.9855 117.9986 53.6362 37.7489 172.9036 119 R 4.6078 7.4857 116.3869 54.2043 32.1902 175.6564 120 T 4.3790 8.6323 122.5220 64.0304 69.0221 173.1504 121 W 4.9091 9.2452 135.0000 55.9047 33.2342 174.4822 122 T 3.9366 7.7502 123.1400 61.6923 70.4510 174.5595 123 N 3.5374 8.2157 124.7467 52.8051 38.7682 174.2729 124 Y 4.6283 7.7698 122.1685 57.6027 38.7291 178.0941 125 T 3.9927 7.9809 112.7303 64.9692 68.7321 175.6742 126 Q 4.1470 7.9484 119.1988 57.9681 29.3930 177.8533 127 C 4.0493 8.0174 118.5385 59.6988 40.1169 173.1365 128 N 5.3294 7.5995 116.2044 49.6280 38.0788 176.5917 129 V 4.0861 7.9574 122.8129 61.1836 31.6286 176.5244 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 *34 L 8.03 4.34 0.00 1.59 1.70 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.33 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 0.00 0.00 0.00 36 V 8.67 3.75 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 0.83 0.00 0.00 0.90 0.00 0.00 37 T 7.64 3.68 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 1.01 0.00 0.00 38 R 7.38 3.88 0.00 1.87 1.94 0.00 3.27 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 39 N 7.72 4.45 0.00 2.77 2.84 0.00 0.00 7.06 7.99 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 40 K 8.46 3.92 0.00 1.73 1.94 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.57 7.81 41 I 7.30 3.33 1.71 0.00 0.00 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 -0.11 -0.24 1.13 0.00 0.00 42 M 8.21 4.05 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.87 0.00 43 T 8.18 3.82 4.36 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 1.22 0.00 0.00 44 A 7.96 4.01 1.69 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 45 Q 7.66 2.00 0.00 1.32 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.73 0.00 0.00 0.00 0.00 0.00 2.06 1.16 0.00 46 Y 7.92 4.01 0.00 3.05 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 47 E 8.34 3.80 0.00 2.20 1.94 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 2.28 2.29 0.00 48 C 7.91 4.12 0.00 3.05 2.67 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 0.00 0.00 0.00 0.00 49 Y 7.73 4.04 0.00 2.91 2.82 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 50 Q 8.08 3.90 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.82 0.00 0.00 0.00 0.00 0.00 1.60 1.93 0.00 51 K 7.94 4.00 0.00 1.78 1.81 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.35 7.81 52 I 7.85 4.21 2.03 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 1.12 1.06 0.00 0.00 53 M 8.20 4.25 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 54 Q 8.02 4.47 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 55 D 6.74 4.23 0.00 2.86 2.67 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 0.00 0.00 0.00 0.00 *60 A 8.41 3.89 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 *61 E 8.60 4.27 0.00 2.00 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 2.18 1.86 0.00 62 G 8.69 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 0.00 0.00 0.00 63 V 8.40 4.36 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 0.77 0.00 0.00 0.93 0.00 0.00 64 Y 8.50 5.05 0.00 2.65 2.82 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 65 C 9.09 4.71 0.00 1.68 1.24 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 0.00 66 N 8.76 5.15 0.00 2.51 2.60 0.00 0.00 6.74 7.66 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 67 R 9.01 4.51 0.00 2.07 2.02 0.00 3.23 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.97 0.00 68 T 9.28 4.86 4.44 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 0.68 0.00 0.00 69 W 8.73 5.17 0.00 2.81 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 70 D 8.40 4.29 0.00 2.63 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 71 G 5.56 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 72 W 7.47 5.20 0.00 3.36 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 73 L 8.79 5.01 0.00 1.50 1.07 0.87 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 74 C 8.59 5.36 0.00 3.14 2.97 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 0.00 0.00 0.00 75 W 8.99 4.96 0.00 2.92 2.88 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 76 N 9.15 5.14 0.00 2.78 2.90 0.00 0.00 7.11 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 77 D 8.80 5.10 0.00 2.66 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 78 V 8.86 4.82 2.30 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 0.63 0.00 0.00 1.01 0.00 0.00 79 A 8.42 3.53 0.84 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 80 A 7.91 3.78 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 81 G 8.62 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 82 T 7.25 4.61 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 1.21 0.00 0.00 83 E 8.57 4.94 0.00 1.92 1.84 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 2.19 2.26 0.00 84 S 9.17 4.81 0.00 4.06 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 0.00 85 M 8.61 5.67 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 86 Q 8.94 4.61 0.00 1.67 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 1.97 1.67 0.00 87 L 8.24 4.71 0.00 1.47 1.70 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 88 C 9.14 4.57 0.00 2.95 2.97 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 0.00 0.00 0.00 89 P 0.00 4.18 0.00 0.49 1.35 0.00 3.92 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 1.66 1.70 0.00 90 D 7.87 4.70 0.00 2.72 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 91 Y 6.96 4.00 0.00 1.43 1.53 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.92 4.88 0.00 2.48 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 93 Q 8.87 4.08 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.19 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 94 D 8.17 4.86 0.00 2.90 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 95 F 8.12 5.03 0.00 3.10 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 96 D 8.55 4.73 0.00 2.69 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 0.00 0.00 0.00 0.00 97 P 0.00 4.63 0.00 2.18 2.14 0.00 3.42 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.91 0.00 98 S 8.47 4.34 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 99 E 8.23 4.24 0.00 2.08 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.29 0.00 100 K 8.43 5.00 0.00 1.66 1.70 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.40 7.81 101 V 9.16 4.61 2.19 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 0.64 0.00 0.00 0.98 0.00 0.00 102 T 8.28 5.31 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 1.21 0.00 0.00 103 K 8.53 4.34 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.76 0.61 7.81 104 I 8.40 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 1.23 0.62 0.91 0.00 0.00 105 C 8.85 4.80 0.00 2.14 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 0.00 106 D 9.05 4.77 0.00 2.88 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 0.00 107 Q 8.55 3.95 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.10 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 108 D 8.18 4.47 0.00 2.78 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 0.00 109 G 8.17 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 0.00 110 N 8.13 5.08 0.00 2.95 2.70 0.00 0.00 7.07 6.96 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 0.00 111 W 8.76 4.69 0.00 3.19 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 0.00 112 F 9.66 4.28 0.00 3.26 3.10 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 0.00 113 R 7.38 4.89 0.00 1.44 1.62 0.00 3.22 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 114 H 9.05 3.91 0.00 3.04 3.03 0.00 5.59 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 3.73 0.00 2.15 2.10 0.00 3.26 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 1.82 1.91 0.00 116 A 8.20 4.13 1.30 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 0.00 0.00 117 S 8.01 4.37 0.00 3.93 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 0.00 118 N 8.99 4.35 0.00 2.77 2.99 0.00 0.00 7.08 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 R 7.49 4.61 0.00 1.92 1.80 0.00 3.19 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 1.62 1.61 0.00 120 T 8.63 4.38 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 0.00 121 W 9.25 4.91 0.00 3.45 3.31 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 0.00 122 T 7.75 3.94 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 0.53 0.00 0.00 123 N 8.22 3.54 0.00 2.63 2.64 0.00 0.00 7.04 7.44 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 0.00 124 Y 7.77 4.63 0.00 3.22 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 0.00 125 T 7.98 3.99 4.35 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 1.52 0.00 0.00 126 Q 7.95 4.15 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.10 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 127 C 8.02 4.05 0.00 2.05 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 0.00 128 N 7.60 5.33 0.00 2.68 2.57 0.00 0.00 6.47 7.67 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 0.00 129 V 7.96 4.09 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 0.87 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.