NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.3566 8.0333 117.3740 63.4931 70.3212 174.7260 3 D 4.2364 8.6094 125.2916 57.1263 41.0176 177.5404 4 R 3.9577 8.2190 118.2922 59.7387 30.5326 178.3219 5 M 4.0639 7.9966 117.1665 58.7103 32.2397 178.2834 6 T 3.9849 7.4824 114.8057 66.5461 68.6848 176.9863 7 Q 4.1675 8.6761 120.3188 58.6941 28.5596 178.5946 8 L 3.9679 8.1167 121.6919 57.9694 42.0095 179.0841 9 Q 3.9513 7.8505 117.5734 59.1769 28.7573 178.7506 10 I 3.6909 8.2005 121.1986 64.2814 37.0384 178.1457 11 C 4.3787 8.2255 121.0364 62.0435 31.4852 175.2051 12 L 3.9571 8.1715 122.1702 58.2836 41.6576 178.6625 13 D 4.3508 8.3734 118.9271 57.7018 40.7025 178.8989 14 Q 4.0504 8.1078 118.3396 59.0685 28.5509 178.7149 15 M 4.1410 8.1701 119.3667 58.9378 32.4716 178.1943 16 T 3.8795 8.1097 116.0141 66.9135 68.5811 176.3572 17 E 4.0350 8.1658 119.8221 59.5204 29.4263 179.3665 18 Q 4.0408 8.1721 118.1193 59.0316 28.7249 178.8989 19 F 3.8327 8.8331 119.2074 60.5588 38.8261 177.6067 20 C 4.1740 8.1383 115.8460 62.8471 28.1063 175.9316 21 A 4.0422 8.4549 122.7614 55.4014 17.8126 179.8506 22 T 3.8011 8.1925 114.5316 66.6658 68.6705 176.7497 23 L 3.9679 8.5029 121.0847 58.4400 41.6864 179.7243 24 N 4.4968 8.6420 116.1128 55.9234 37.9143 177.1430 25 Y 4.1091 7.8861 121.1283 60.9243 38.8213 176.9594 26 I 3.9648 9.0752 119.9418 63.0445 36.8977 178.2059 27 D 4.1707 7.2999 122.4142 57.4324 43.2538 178.4287 28 K 4.2159 8.1613 119.7752 59.6852 34.0351 179.0069 29 N 4.5971 7.8588 112.6079 54.1791 37.3778 178.0123 30 H 4.5428 9.2115 124.9291 55.8160 29.7229 176.8883 31 G 3.8853 8.5636 111.1966 45.9954 0.0000 172.8272 32 F 3.7607 9.2955 120.3637 59.0730 38.1941 174.3586 33 E 3.3941 7.8636 116.3802 56.4456 25.6828 174.1256 *49 V 4.0797 7.5701 119.0067 62.3866 33.8538 176.0180 50 V 3.9346 6.9979 115.4669 61.1649 32.2008 174.2670 51 P 4.5006 0.0000 0.0000 62.2813 32.8992 175.7279 52 P 4.2431 0.0000 0.0000 66.2359 31.2165 178.1669 53 E 4.1559 8.1355 117.6780 57.3877 29.8252 177.9373 54 E 4.2508 7.9754 118.3158 59.6371 29.9943 178.0155 55 F 4.3929 8.8120 122.2111 60.5401 39.1757 177.4802 56 S 4.3583 8.2592 113.5768 61.8637 63.0915 175.4955 57 N 4.2720 8.2110 120.3227 56.0489 38.2421 176.9321 58 T 3.7152 7.8196 109.9891 65.5117 68.8413 175.8643 59 I 3.6352 7.2997 123.1887 64.0648 37.0312 178.0529 60 D 4.5949 7.7714 120.3688 56.6210 40.9043 178.4590 61 E 3.9127 8.1668 119.5788 58.8208 29.0194 178.7050 62 L 4.0736 8.3750 119.9111 57.0439 41.6466 178.7565 63 S 4.2371 7.8600 112.8416 60.2847 63.3660 176.6424 64 T 3.9081 7.9444 120.3478 66.6666 68.2422 176.4650 65 D 4.3354 7.6639 119.4870 57.4366 40.7125 178.8748 66 I 3.8810 7.3835 119.2972 64.3199 36.7674 178.5604 67 I 3.8397 7.4044 120.8145 64.0995 36.9753 178.4067 68 L 4.0284 7.8296 119.8940 57.7086 41.4317 179.6062 69 K 4.1526 8.7076 118.7406 59.7699 31.9851 179.5086 70 T 3.9602 7.7189 116.2167 66.0890 68.2228 177.0361 71 R 3.8169 7.6345 120.8712 59.4224 30.1972 177.9204 72 Q 3.9527 8.4350 119.7975 59.6025 28.8690 178.8591 73 I 3.7083 7.9736 120.5350 64.5619 37.1329 178.2671 74 N 4.3438 8.1647 117.1288 56.0494 38.1925 177.7648 75 K 3.9877 8.3512 120.3541 59.2270 32.2166 179.2464 76 L 3.9596 8.0504 119.3062 58.0713 41.4029 179.4483 77 I 3.7100 7.7285 118.3158 64.7858 37.1146 177.8674 78 D 4.5285 7.8203 118.7354 57.1801 40.8052 178.2726 79 S 4.4105 8.0530 111.8787 58.0055 63.4516 174.4911 80 L 4.0570 7.2859 124.4533 54.1849 41.9305 174.9140 81 P 4.2664 0.0000 0.0000 63.8374 32.0739 176.0996 82 G 3.9974 8.9329 108.2154 46.4467 0.0000 175.8669 83 V 3.5915 7.5012 121.1496 64.2040 31.2782 176.6430 84 D 4.7850 7.9861 117.5830 53.6358 40.8586 175.7647 85 V 4.3978 7.4574 119.0678 60.8964 33.6821 176.1957 86 S 4.5107 8.2046 119.6803 57.6127 65.5290 174.0105 87 A 4.2691 8.5821 120.3849 55.4722 18.5632 179.2139 88 E 3.8723 8.2410 116.7063 59.9239 29.4784 179.6773 89 E 3.9131 7.9586 118.0566 59.5675 29.5965 179.0653 90 Q 4.0010 7.6079 116.7063 59.4121 28.9602 179.6207 91 L 4.0326 8.2033 119.7082 57.6758 41.5746 179.9551 92 R 3.8826 7.7169 117.8100 59.2513 30.1314 178.9899 93 K 4.1162 8.4594 119.6626 59.4941 32.0492 178.8501 94 I 3.8139 7.7828 120.3443 64.2816 37.0474 178.0428 95 D 4.3735 8.0514 119.5884 57.4377 40.6507 178.4612 96 M 4.0450 8.5573 119.2382 58.6505 32.2276 178.3515 97 L 4.0591 8.0482 119.2096 57.7018 41.7485 179.4944 98 Q 3.9990 8.1787 118.1838 58.7569 28.7199 178.8421 99 K 3.9449 8.0353 119.4987 59.5789 32.1168 179.6586 100 K 4.0577 8.1305 118.4028 59.0595 31.8149 179.5856 101 L 3.9526 7.8125 119.7297 57.7297 41.7250 179.3148 102 V 3.5818 7.7247 118.1868 66.1433 31.2881 177.8937 103 E 3.9144 8.0762 117.8187 59.5894 29.4450 179.5528 104 V 3.5660 8.1781 118.3319 65.7966 31.4495 177.5955 105 E 4.1403 8.2070 118.1608 58.7232 29.4552 178.2753 106 D 4.3400 7.9139 118.0674 57.1849 41.1676 178.1321 107 E 3.9588 8.4723 119.5211 59.2882 29.5046 179.2069 108 K 3.9119 7.9795 119.7275 59.4112 32.1988 178.7071 109 I 3.6969 7.9444 119.0249 63.9449 37.9260 177.7036 110 E 3.9072 8.0472 118.8158 59.4487 29.3763 179.1156 111 A 4.0150 8.2156 120.9219 55.3333 18.3524 179.8422 112 I 3.6925 7.9244 118.1758 64.4077 37.2124 178.2606 113 K 3.8165 8.6035 119.5468 59.8739 31.9216 179.0693 114 K 3.8821 8.2032 117.9282 59.4331 32.0088 179.1532 115 K 3.8602 8.0663 119.5752 59.7854 32.1386 178.4642 116 E 3.9374 8.5105 119.0548 59.3927 29.2332 179.3066 117 K 3.9430 8.5040 119.9655 59.3545 32.2275 178.6866 118 L 3.9508 8.1256 120.6887 58.3076 42.0083 178.4063 119 M 4.0245 8.2865 118.4366 58.7415 32.0128 178.3312 120 R 3.8927 8.0471 118.0685 59.4811 30.4090 178.1368 121 H 3.9759 7.9331 117.9719 59.4566 29.7041 177.1765 122 V 3.5789 7.9002 119.4537 66.3228 31.3644 177.3478 123 D 4.3679 8.3805 118.9640 57.7908 40.6368 179.0601 124 S 4.0667 8.3491 113.5249 61.7868 62.0894 175.9429 125 M 4.0570 7.9850 120.7692 58.6396 31.7736 179.0743 126 I 3.8389 7.9823 119.7874 64.5247 37.1302 178.4510 127 E 4.2566 8.2205 118.1079 58.9658 29.3391 178.1351 128 D 4.5503 7.9123 116.0528 54.0220 42.4551 175.2202 129 F 3.5457 8.5936 116.2939 58.6907 36.4688 175.3400 130 V 4.0237 7.7043 123.0527 63.3456 31.5634 173.6801 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 T 8.03 4.36 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 1.27 0.00 0.00 3 D 8.61 4.24 0.00 2.76 2.70 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 4 R 8.22 3.96 0.00 1.84 1.99 0.00 3.14 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 5 M 8.00 4.06 0.00 2.25 2.05 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.69 0.00 6 T 7.48 3.98 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 1.21 0.00 0.00 7 Q 8.68 4.17 0.00 2.17 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 8 L 8.12 3.97 0.00 1.83 1.84 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 7.85 3.95 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 10 I 8.20 3.69 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 1.41 0.81 0.91 0.00 0.00 11 C 8.23 4.38 0.00 3.32 2.99 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 12 L 8.17 3.96 0.00 1.84 1.80 0.88 1.50 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 13 D 8.37 4.35 0.00 2.96 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 14 Q 8.11 4.05 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 15 M 8.17 4.14 0.00 2.15 2.11 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.94 0.00 16 T 8.11 3.88 4.37 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 1.19 0.00 0.00 17 E 8.17 4.04 0.00 2.20 2.01 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 2.34 2.69 0.00 18 Q 8.17 4.04 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 19 F 8.83 3.83 0.00 3.23 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 20 C 8.14 4.17 0.00 3.25 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 21 A 8.45 4.04 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 22 T 8.19 3.80 4.29 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 1.07 0.00 0.00 23 L 8.50 3.97 0.00 1.82 1.78 0.99 0.85 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 24 N 8.64 4.50 0.00 2.83 2.91 0.00 0.00 6.73 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 25 Y 7.89 4.11 0.00 3.16 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 26 I 9.08 3.96 2.06 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.84 1.09 0.00 0.00 27 D 7.30 4.17 0.00 2.69 2.80 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 28 K 8.16 4.22 0.00 1.93 1.87 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.54 7.81 29 N 7.86 4.60 0.00 2.73 2.05 0.00 0.00 7.19 8.48 0.00 0.00 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 H 9.21 4.54 0.00 2.47 2.82 0.00 5.62 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.56 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 0.00 0.00 0.00 32 F 9.30 3.76 0.00 3.08 3.29 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 33 E 7.86 3.39 0.00 1.84 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 1.90 1.88 0.00 *49 V 7.57 4.08 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 0.77 0.00 0.00 0.94 0.00 0.00 50 V 7.00 3.93 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.04 0.00 0.00 51 P 0.00 4.50 0.00 2.34 2.22 0.00 3.81 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 52 P 0.00 4.24 0.00 2.28 2.31 0.00 3.72 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 53 E 8.14 4.16 0.00 1.99 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 0.00 2.32 2.49 0.00 54 E 7.98 4.25 0.00 2.31 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 0.00 2.42 2.35 0.00 55 F 8.81 4.39 0.00 3.13 3.18 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 56 S 8.26 4.36 0.00 4.21 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 0.00 57 N 8.21 4.27 0.00 2.92 2.85 0.00 0.00 6.76 7.08 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 58 T 7.82 3.72 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 1.08 0.00 0.00 59 I 7.30 3.64 2.06 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.83 0.96 0.00 0.00 60 D 7.77 4.59 0.00 2.92 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 61 E 8.17 3.91 0.00 1.99 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 2.23 2.29 0.00 62 L 8.37 4.07 0.00 1.65 1.51 0.55 0.55 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 63 S 7.86 4.24 0.00 4.00 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 64 T 7.94 3.91 4.20 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 0.00 0.00 0.00 1.19 0.00 0.00 65 D 7.66 4.34 0.00 2.68 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 66 I 7.38 3.88 1.84 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.95 0.77 0.00 0.00 67 I 7.40 3.84 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.87 0.91 0.00 0.00 68 L 7.83 4.03 0.00 1.83 1.71 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.71 4.15 0.00 1.80 1.90 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.59 1.80 7.81 70 T 7.72 3.96 4.43 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 1.24 0.00 0.00 71 R 7.63 3.82 0.00 1.86 2.13 0.00 3.12 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 72 Q 8.44 3.95 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 73 I 7.97 3.71 1.93 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 1.53 0.74 0.91 0.00 0.00 74 N 8.16 4.34 0.00 3.01 2.87 0.00 0.00 7.06 6.97 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 75 K 8.35 3.99 0.00 1.96 1.85 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.60 7.81 76 L 8.05 3.96 0.00 1.86 1.72 0.92 0.55 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 77 I 7.73 3.71 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.68 0.91 0.00 0.00 78 D 7.82 4.53 0.00 2.85 2.73 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 79 S 8.05 4.41 0.00 4.01 4.06 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 80 L 7.29 4.06 0.00 1.82 1.64 0.92 1.02 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 81 P 0.00 4.27 0.00 2.17 2.05 0.00 3.91 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 82 G 8.93 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 83 V 7.50 3.59 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 0.72 0.00 0.00 0.98 0.00 0.00 84 D 7.99 4.78 0.00 2.68 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 85 V 7.46 4.40 2.21 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 0.85 0.00 0.00 0.93 0.00 0.00 86 S 8.20 4.51 0.00 4.04 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 87 A 8.58 4.27 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 88 E 8.24 3.87 0.00 2.01 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 0.00 2.41 2.44 0.00 89 E 7.96 3.91 0.00 1.95 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 0.00 2.33 2.35 0.00 90 Q 7.61 4.00 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.72 0.00 91 L 8.20 4.03 0.00 1.85 1.72 0.92 1.23 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 92 R 7.72 3.88 0.00 1.98 1.97 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.89 0.00 93 K 8.46 4.12 0.00 1.78 1.92 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 94 I 7.78 3.81 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 0.79 0.91 0.00 0.00 95 D 8.05 4.37 0.00 2.93 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 96 M 8.56 4.04 0.00 2.12 2.05 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 2.59 2.72 0.00 97 L 8.05 4.06 0.00 1.94 1.70 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.18 4.00 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.68 0.00 99 K 8.04 3.94 0.00 1.98 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.67 7.81 100 K 8.13 4.06 0.00 1.94 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.61 7.81 101 L 7.81 3.95 0.00 1.90 1.71 0.92 0.81 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 0.00 102 V 7.72 3.58 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 1.03 0.00 0.00 0.93 0.00 0.00 103 E 8.08 3.91 0.00 2.22 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 2.33 2.61 0.00 104 V 8.18 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 1.03 0.00 0.00 0.97 0.00 0.00 105 E 8.21 4.14 0.00 2.26 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 2.31 2.30 0.00 106 D 7.91 4.34 0.00 2.93 2.80 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 0.00 107 E 8.47 3.96 0.00 2.22 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 2.33 2.31 0.00 108 K 7.98 3.91 0.00 1.97 1.96 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 109 I 7.94 3.70 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 1.52 1.06 0.99 0.00 0.00 110 E 8.05 3.91 0.00 2.21 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 2.52 2.47 0.00 111 A 8.22 4.01 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 I 7.92 3.69 1.99 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 0.81 0.91 0.00 0.00 113 K 8.60 3.82 0.00 2.02 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.51 7.81 114 K 8.20 3.88 0.00 1.94 1.87 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.66 7.81 115 K 8.07 3.86 0.00 1.92 1.92 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 116 E 8.51 3.94 0.00 2.25 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 0.00 2.45 2.47 0.00 117 K 8.50 3.94 0.00 1.89 1.98 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 118 L 8.13 3.95 0.00 1.87 1.86 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 119 M 8.29 4.02 0.00 2.23 2.05 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 2.59 0.00 120 R 8.05 3.89 0.00 2.10 1.97 0.00 3.21 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.74 0.00 121 H 7.93 3.98 0.00 3.29 3.45 0.00 5.59 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 0.00 122 V 7.90 3.58 2.18 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 1.05 0.00 0.00 0.97 0.00 0.00 123 D 8.38 4.37 0.00 3.04 2.89 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 0.00 124 S 8.35 4.07 0.00 3.84 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 0.00 125 M 7.98 4.06 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.63 0.00 126 I 7.98 3.84 1.82 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 1.48 0.77 0.78 0.00 0.00 127 E 8.22 4.26 0.00 2.02 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 0.00 2.37 2.37 0.00 128 D 7.91 4.55 0.00 2.92 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 0.00 129 F 8.59 3.55 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 0.00 130 V 7.70 4.02 2.22 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 0.71 0.00 0.00 1.09 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.