NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 P 4.3626 0.0000 0.0000 62.0197 32.3495 176.2608 9 K 3.9495 8.5835 122.9135 53.5846 32.6562 174.2381 10 P 4.4575 0.0000 0.0000 63.0354 32.7893 175.3338 11 S 4.4731 7.7233 113.3604 56.2741 66.1240 173.3653 12 F 3.1355 8.0441 122.8933 57.2958 39.6363 173.1095 13 P 2.9700 0.0000 0.0000 61.3206 32.0806 175.2822 14 Y 4.3244 7.5571 117.6282 57.1353 38.9704 176.1944 15 G 3.9592 8.5540 111.1872 45.7213 0.0000 174.0814 16 S 4.5804 7.4802 113.4071 55.6209 66.6402 173.4979 17 P 4.2549 0.0000 0.0000 65.7422 31.0610 179.1400 18 G 3.6148 8.0227 103.8344 47.9819 0.0000 175.2047 19 E 4.0128 7.5801 120.0032 59.1162 29.7673 179.0932 20 L 3.5625 7.6289 119.6313 57.8703 41.9015 178.6212 21 N 4.6111 8.1717 115.6043 55.4375 38.4498 176.4113 22 S 4.9239 7.6210 115.3836 57.4056 63.5214 174.1160 23 F 4.8612 7.9168 125.7128 56.3663 40.0099 175.4716 24 L 3.8252 8.4370 128.7819 58.0601 41.8927 177.0215 25 P 4.0784 0.0000 0.0000 65.0413 31.1798 178.0034 26 Y 4.0262 6.8684 118.4084 60.3875 38.7291 177.5380 27 L 3.7414 7.7601 119.9614 57.7335 41.7538 179.5634 28 L 3.8993 7.8544 119.1290 57.9371 41.5489 179.6993 29 T 3.8661 7.8309 109.7301 64.6002 68.4564 176.8952 30 R 3.8144 7.7457 120.9877 59.2095 30.0356 178.8806 31 I 3.6748 7.9802 119.5398 64.8655 37.1900 178.7116 32 T 3.8981 7.7525 116.3995 67.1459 68.2778 175.0987 33 H 4.0383 7.8650 118.3632 59.8110 29.8017 176.6976 34 I 3.5589 7.6382 120.8163 64.3908 37.0832 178.1861 35 W 4.3242 8.8274 130.7250 59.9675 30.4394 177.9058 36 S 3.9154 8.7632 114.5727 62.0276 62.4518 176.0809 37 S 3.7757 8.6300 118.4662 61.1334 62.6956 177.3230 38 E 3.4134 8.1308 120.2142 59.3384 29.3643 179.8507 39 L 3.6108 7.1372 120.0336 57.4249 42.1141 178.7855 40 N 4.2435 8.0561 117.2733 56.4978 38.2262 176.2928 41 Q 3.8163 8.1146 119.6764 59.5781 29.1141 178.2518 42 A 4.1887 8.2217 120.7781 55.4995 18.6217 179.7572 43 L 4.0123 8.2533 116.9278 57.0843 41.3291 179.5690 44 A 4.0490 7.5840 120.7851 55.1553 18.5001 179.1595 45 S 4.4743 7.6151 108.7072 59.0591 63.4223 174.2607 46 E 4.5903 7.7717 122.7727 56.1077 30.1644 175.7281 47 K 3.9868 8.3340 116.3552 56.7804 30.7051 175.9005 48 L 4.5906 7.3720 118.0230 51.2302 43.3839 172.5118 49 P 4.1875 0.0000 0.0000 61.9088 33.6023 175.7804 50 T 3.8511 8.6325 118.6928 66.8207 68.4121 174.7953 51 P 4.2926 0.0000 0.0000 65.6159 31.2321 178.8883 52 K 3.9962 7.9486 116.7795 59.2122 32.0572 178.8951 53 L 3.9477 7.9127 120.6509 58.4356 41.6751 179.2290 54 R 4.0690 8.4278 118.1983 59.1518 29.8080 178.9622 55 L 4.0981 7.6997 118.4470 57.5037 41.8952 178.8441 56 L 3.9831 8.1845 119.3055 58.2682 41.5653 180.0625 57 S 4.1688 8.5624 114.1750 61.5407 62.8074 176.4150 58 S 4.2675 7.7367 117.4166 61.6662 62.5932 176.5609 59 L 4.2754 8.2713 122.9408 57.3419 41.1401 179.7759 60 S 4.1340 8.0801 112.1928 60.5495 62.3349 175.5238 61 A 4.1573 7.4296 122.7044 54.6695 19.1301 178.4839 62 Y 4.3207 8.0813 112.9372 59.1703 38.5856 177.0724 63 G 4.0201 8.4208 106.2561 43.7884 0.0000 172.9903 64 E 4.5199 8.6205 125.1723 56.5855 30.3627 176.5004 65 L 4.9426 9.0267 126.1662 52.9644 46.3734 176.3622 66 T 4.3129 8.3323 112.0699 61.2877 69.9684 175.7336 67 V 3.6761 8.5402 121.0133 65.6139 31.4111 178.4259 68 G 3.5062 7.9517 105.3671 48.0630 0.0000 175.7069 69 Q 3.8708 7.8662 120.9002 58.3350 28.6465 179.0031 70 L 4.0175 8.2187 120.0463 57.2564 41.3488 179.4535 71 A 4.2164 7.4934 121.6194 54.9729 18.7380 179.6035 72 T 3.9991 7.8982 114.2088 66.8002 68.3741 176.9488 73 L 3.8703 7.6713 121.2831 57.3135 42.1983 177.7167 74 G 3.9459 7.9561 105.2187 44.1291 0.0000 173.5365 75 V 3.0537 7.3247 118.1624 62.7925 29.6024 171.0783 *77 E 4.1180 7.8860 119.5642 55.5470 31.5880 176.2320 78 Q 3.9565 8.8031 122.7040 59.4561 28.8145 179.7653 79 S 4.2712 8.0001 114.1796 61.3751 63.4058 176.5241 80 T 3.9204 7.8369 119.0718 66.7246 68.2472 176.7139 81 T 3.9449 8.2492 117.9694 66.1510 68.3758 176.7724 82 S 4.1507 7.9955 115.4625 61.2901 62.4223 176.3934 83 R 4.0009 8.2006 120.7828 59.2373 29.6883 179.1757 84 T 3.8718 8.0499 115.8224 66.7424 68.5428 176.5904 85 V 3.5905 7.7396 119.9557 66.4524 31.2617 177.7896 86 D 4.4343 8.1164 118.3874 57.5052 40.2846 178.7908 87 Q 4.0443 7.8601 118.6811 58.6997 28.7765 178.5916 88 L 4.0184 8.0412 120.3350 57.6740 41.4645 179.4374 89 V 4.2021 8.0404 118.4865 64.6797 31.5651 177.2083 90 D 4.5362 7.6471 117.5801 56.2580 40.9187 177.4120 91 E 4.4201 7.8059 117.2045 56.1711 30.0323 177.1412 92 G 3.9629 8.1781 106.3484 45.2575 0.0000 173.9859 93 L 4.4938 7.9323 120.4174 56.0432 42.8709 176.4462 94 A 5.1257 7.9141 118.8507 50.0824 23.2206 174.6206 95 A 4.8445 8.9475 120.6647 50.0767 22.4447 176.2699 96 R 4.6804 8.6573 120.2749 56.7293 31.4846 176.5644 97 S 4.6796 8.4570 114.7216 57.8551 66.1941 172.8197 98 I 5.0896 8.2202 112.1912 59.1312 40.6225 176.1368 99 S 4.4803 8.8286 117.5384 58.5199 61.7715 177.2749 *103 Q 4.2817 8.7474 117.7423 55.7112 29.0864 175.7255 104 R 4.5714 8.1791 115.0761 55.6976 28.1306 175.3120 105 K 4.6659 7.8527 120.3646 53.9439 36.6619 175.1903 106 R 4.5891 8.7058 124.7995 56.7013 30.6018 175.9022 107 T 4.6325 8.6194 118.9451 60.5907 72.1227 173.4004 108 V 4.9873 8.4089 119.9098 61.5014 35.0078 174.6252 109 V 4.7956 8.7614 126.4226 60.7398 35.3295 174.5013 110 L 4.5511 8.5716 125.9529 55.1088 42.3725 177.0161 111 T 4.3952 8.2659 113.4018 60.6998 70.8380 176.1497 112 R 3.8089 8.5208 120.3979 58.9847 30.1353 179.1605 113 K 4.0239 8.1123 119.4643 59.3692 32.0777 179.0017 114 G 3.5906 8.5909 106.4474 47.7388 0.0000 175.8277 115 K 3.9503 8.7063 121.6009 58.9324 31.9089 179.3838 116 K 3.9522 8.1883 120.0501 59.5331 32.0390 178.9704 117 K 4.2148 7.6581 119.1462 58.6085 32.3194 177.9892 118 L 4.1687 7.7721 120.4147 57.3033 41.8978 178.6307 119 A 4.0240 7.6853 121.2542 54.9752 18.5397 178.9808 120 E 4.1891 8.5873 115.9368 58.0476 29.1396 178.0273 121 I 4.6381 7.5534 117.5754 59.7557 40.0144 177.1302 122 S 4.2771 8.1969 115.7899 61.1659 62.4904 174.5683 123 P 4.2007 0.0000 0.0000 65.5281 31.2098 177.9379 124 L 3.8074 8.0307 118.3936 58.3516 41.6891 179.0174 125 I 3.9070 7.5184 118.1563 64.7590 37.2206 178.2843 126 N 4.4948 8.4957 117.0317 55.9180 38.1656 177.3769 127 D 4.2974 8.6983 121.2471 57.5315 41.1149 178.6932 128 F 4.4021 8.6810 118.4904 60.7362 38.7699 177.4508 129 H 4.5163 9.1158 118.2566 59.2467 29.7726 177.0193 130 A 3.9894 8.2018 122.5990 55.3628 18.0800 178.9550 131 E 4.2599 8.4150 113.9119 57.5839 29.6492 177.8826 132 L 4.6013 7.3579 118.8512 55.8729 43.2118 177.3199 133 V 4.4271 8.1607 110.8258 61.0240 32.9425 177.6131 134 G 3.6663 8.2007 110.6566 48.9155 0.0000 176.1127 135 N 4.6922 7.9944 114.4193 52.9459 38.6893 175.1638 136 V 3.7688 7.1019 118.4483 61.8115 32.3229 175.5755 137 D 4.3278 8.7490 125.8445 54.3788 41.6581 175.3330 138 P 4.3399 0.0000 0.0000 65.5361 31.3305 178.2648 139 D 4.3989 7.9692 116.9349 57.0101 40.9208 178.9101 140 K 4.0215 7.8963 118.5777 59.2340 32.2740 179.0954 141 L 3.9273 8.3586 121.2070 57.9155 41.8616 178.5980 142 Q 3.9228 7.7575 119.3792 59.7967 29.1254 178.4459 143 T 3.8622 7.9585 116.5077 66.9092 68.3665 175.9689 144 C 4.0927 8.1596 120.5058 62.6719 31.6085 175.7936 145 I 3.8318 7.7258 120.8253 63.9235 36.5855 178.3857 146 E 3.9460 7.9694 119.9132 59.2980 29.3263 179.3211 147 V 3.5588 7.5863 117.7592 66.1468 31.5906 178.0860 148 L 4.1921 7.8423 118.4489 57.5096 41.2723 179.8527 149 G 3.4904 8.1566 105.7368 47.8306 0.0000 175.2887 150 E 3.9602 8.7309 122.4776 59.1998 29.5850 179.9467 151 I 3.6770 8.1644 119.6129 64.3802 37.0056 178.1503 152 L 3.9733 8.0731 120.0911 58.1517 41.9753 178.9677 153 K 4.2349 8.4525 118.6597 59.3398 31.8112 179.2516 154 G 3.7680 7.7978 104.5802 47.8489 0.0000 174.7455 155 K 4.4863 7.7431 119.3488 55.0510 33.5388 176.9739 156 T 4.3889 7.2422 107.9202 62.2707 69.4408 173.3432 157 D 4.7510 8.6073 120.8022 54.5473 40.6732 176.0257 158 Y 4.4167 8.3436 127.0817 57.7507 38.7332 175.2390 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 8 P 0.00 4.36 0.00 2.18 2.14 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 1.88 1.99 0.00 9 K 8.58 3.95 0.00 1.88 1.86 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.51 7.81 10 P 0.00 4.46 0.00 2.43 2.21 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 11 S 7.72 4.47 0.00 3.86 3.77 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 12 F 8.04 3.14 0.00 2.76 2.81 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 0.00 0.00 0.00 13 P 0.00 2.97 0.00 1.51 0.68 0.00 3.42 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 14 Y 7.56 4.32 0.00 2.76 2.74 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 0.00 0.00 0.00 0.00 15 G 8.55 3.96 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 16 S 7.48 4.58 0.00 4.00 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 17 P 0.00 4.25 0.00 2.16 2.12 0.00 3.58 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 2.10 2.13 0.00 18 G 8.02 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.58 4.01 0.00 2.22 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 0.00 2.44 2.37 0.00 20 L 7.63 3.56 0.00 1.52 1.48 0.77 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.17 4.61 0.00 2.90 2.93 0.00 0.00 7.02 8.31 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 22 S 7.62 4.92 0.00 3.99 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 23 F 7.92 4.86 0.00 2.48 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 24 L 8.44 3.83 0.00 1.76 1.56 0.89 0.94 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 25 P 0.00 4.08 0.00 1.64 1.87 0.00 2.20 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.91 0.00 26 Y 6.87 4.03 0.00 3.28 3.17 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 0.00 0.00 0.00 0.00 27 L 7.76 3.74 0.00 1.84 1.63 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.85 3.90 0.00 1.59 1.63 0.85 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.83 3.87 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 1.21 0.00 0.00 30 R 7.75 3.81 0.00 1.64 1.80 0.00 3.04 0.00 0.00 3.01 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.89 0.00 31 I 7.98 3.67 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.68 0.91 0.00 0.00 32 T 7.75 3.90 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 1.25 0.00 0.00 33 H 7.86 4.04 0.00 3.34 3.54 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.64 3.56 2.05 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 1.39 0.65 0.96 0.00 0.00 35 W 8.83 4.32 0.00 3.39 3.24 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 36 S 8.76 3.92 0.00 4.03 4.28 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 37 S 8.63 3.78 0.00 3.66 3.76 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 38 E 8.13 3.41 0.00 1.73 1.12 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 2.09 2.29 0.00 39 L 7.14 3.61 0.00 0.95 1.20 0.70 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 40 N 8.06 4.24 0.00 2.87 2.77 0.00 0.00 6.45 7.77 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 41 Q 8.11 3.82 0.00 1.88 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 42 A 8.22 4.19 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 43 L 8.25 4.01 0.00 1.67 1.71 0.96 0.79 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 44 A 7.58 4.05 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 0.00 0.00 45 S 7.62 4.47 0.00 3.99 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 46 E 7.77 4.59 0.00 1.95 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 2.21 2.35 0.00 47 K 8.33 3.99 0.00 1.79 1.81 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.46 7.81 48 L 7.37 4.59 0.00 1.64 1.50 0.93 0.90 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 49 P 0.00 4.19 0.00 2.19 1.98 0.00 3.68 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.22 0.00 50 T 8.63 3.85 4.22 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 1.21 0.00 0.00 51 P 0.00 4.29 0.00 2.16 2.11 0.00 3.52 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.19 0.00 52 K 7.95 4.00 0.00 1.96 1.86 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.49 7.81 53 L 7.91 3.95 0.00 1.79 1.88 0.96 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 54 R 8.43 4.07 0.00 2.05 2.01 0.00 3.20 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.85 0.00 55 L 7.70 4.10 0.00 1.98 1.71 0.98 0.98 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 56 L 8.18 3.98 0.00 1.69 1.76 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.56 4.17 0.00 4.04 4.16 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 58 S 7.74 4.27 0.00 4.19 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 59 L 8.27 4.28 0.00 1.85 1.76 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.08 4.13 0.00 3.91 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 61 A 7.43 4.16 1.08 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 0.00 0.00 62 Y 8.08 4.32 0.00 2.93 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 63 G 8.42 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 0.00 0.00 0.00 64 E 8.62 4.52 0.00 2.00 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 2.29 2.36 0.00 65 L 9.03 4.94 0.00 1.55 1.44 0.92 0.65 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 66 T 8.33 4.31 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 1.20 0.00 0.00 67 V 8.54 3.68 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 1.05 0.00 0.00 0.93 0.00 0.00 68 G 7.95 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 69 Q 7.87 3.87 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 70 L 8.22 4.02 0.00 1.89 1.70 0.98 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.49 4.22 1.43 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 72 T 7.90 4.00 4.04 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 1.09 0.00 0.00 73 L 7.67 3.87 0.00 1.75 1.62 0.73 0.77 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 74 G 7.96 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 0.00 0.00 0.00 0.00 75 V 7.32 3.05 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 0.79 0.00 0.00 1.00 0.00 0.00 *77 E 7.89 4.12 0.00 2.27 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 2.32 2.41 0.00 78 Q 8.80 3.96 0.00 2.12 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.96 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 79 S 8.00 4.27 0.00 4.05 4.12 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 80 T 7.84 3.92 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 1.22 0.00 0.00 81 T 8.25 3.94 4.40 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 1.25 0.00 0.00 82 S 8.00 4.15 0.00 3.98 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 83 R 8.20 4.00 0.00 1.90 1.96 0.00 3.18 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 84 T 8.05 3.87 4.40 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 1.22 0.00 0.00 85 V 7.74 3.59 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 1.01 0.00 0.00 1.03 0.00 0.00 86 D 8.12 4.43 0.00 2.97 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 87 Q 7.86 4.04 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.59 0.00 88 L 8.04 4.02 0.00 1.90 1.72 0.93 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 89 V 8.04 4.20 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 1.18 0.00 0.00 1.04 0.00 0.00 90 D 7.65 4.54 0.00 2.73 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 91 E 7.81 4.42 0.00 1.94 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 2.29 2.50 0.00 92 G 8.18 3.96 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 93 L 7.93 4.49 0.00 1.66 1.72 0.93 0.72 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 94 A 7.91 5.13 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 95 A 8.95 4.84 1.20 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 0.00 0.00 0.00 96 R 8.66 4.68 0.00 1.71 1.87 0.00 3.40 0.00 0.00 3.28 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 97 S 8.46 4.68 0.00 3.87 3.96 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 98 I 8.22 5.09 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 1.11 1.01 0.91 0.00 0.00 99 S 8.83 4.48 0.00 3.84 2.85 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 *103 Q 8.75 4.28 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.15 0.00 0.00 0.00 0.00 0.00 2.22 2.39 0.00 104 R 8.18 4.57 0.00 1.82 1.95 0.00 3.20 0.00 0.00 2.25 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.61 0.00 105 K 7.85 4.67 0.00 1.65 1.64 0.00 1.66 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.53 7.81 106 R 8.71 4.59 0.00 1.82 1.87 0.00 3.22 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 107 T 8.62 4.63 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 0.00 108 V 8.41 4.99 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 1.02 0.00 0.00 0.97 0.00 0.00 109 V 8.76 4.80 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 1.02 0.00 0.00 0.94 0.00 0.00 110 L 8.57 4.55 0.00 1.58 1.59 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.27 4.40 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 0.00 112 R 8.52 3.81 0.00 1.88 2.02 0.00 3.13 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 113 K 8.11 4.02 0.00 1.82 1.99 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.51 7.81 114 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 0.00 115 K 8.71 3.95 0.00 1.93 1.88 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.74 7.81 116 K 8.19 3.95 0.00 1.96 2.02 0.00 1.52 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.68 7.81 117 K 7.66 4.21 0.00 1.81 1.83 0.00 1.75 0.00 0.00 1.49 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.36 7.81 118 L 7.77 4.17 0.00 1.78 1.79 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.69 4.02 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 0.00 120 E 8.59 4.19 0.00 2.14 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 2.57 0.00 121 I 7.55 4.64 2.02 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.78 1.03 0.00 0.00 122 S 8.20 4.28 0.00 4.13 4.31 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 0.00 123 P 0.00 4.20 0.00 2.17 2.13 0.00 3.57 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 124 L 8.03 3.81 0.00 1.67 1.71 0.97 1.43 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 0.00 125 I 7.52 3.91 2.21 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.92 1.14 0.00 0.00 126 N 8.50 4.49 0.00 2.87 2.91 0.00 0.00 7.13 8.93 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 0.00 127 D 8.70 4.30 0.00 2.54 2.44 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 0.00 128 F 8.68 4.40 0.00 3.14 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 0.00 129 H 9.12 4.52 0.00 3.50 3.64 0.00 5.79 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 0.00 130 A 8.20 3.99 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.41 4.26 0.00 2.10 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 2.64 2.45 0.00 132 L 7.36 4.60 0.00 2.11 1.97 1.09 0.80 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 0.00 133 V 8.16 4.43 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 0.62 0.00 0.00 0.66 0.00 0.00 134 G 8.20 3.67 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 0.00 0.00 0.00 135 N 7.99 4.69 0.00 2.73 2.86 0.00 0.00 6.85 7.68 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 0.00 136 V 7.10 3.77 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 0.71 0.00 0.00 0.92 0.00 0.00 137 D 8.75 4.33 0.00 2.75 2.56 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 0.00 138 P 0.00 4.34 0.00 2.19 2.09 0.00 3.64 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 139 D 7.97 4.40 0.00 2.72 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 0.00 140 K 7.90 4.02 0.00 1.93 1.85 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.49 7.81 141 L 8.36 3.93 0.00 1.71 1.65 0.89 0.38 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 0.00 142 Q 7.76 3.92 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.51 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 143 T 7.96 3.86 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 1.21 0.00 0.00 144 C 8.16 4.09 0.00 3.07 3.06 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 0.00 145 I 7.73 3.83 1.96 0.00 0.00 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 1.48 0.81 0.88 0.00 0.00 146 E 7.97 3.95 0.00 2.10 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 2.32 2.52 0.00 147 V 7.59 3.56 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 1.02 0.00 0.00 0.95 0.00 0.00 148 L 7.84 4.19 0.00 1.81 1.67 0.87 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 149 G 8.16 3.49 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 0.00 0.00 0.00 150 E 8.73 3.96 0.00 2.26 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 2.35 2.39 0.00 151 I 8.16 3.68 2.04 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 1.41 1.04 0.90 0.00 0.00 152 L 8.07 3.97 0.00 1.70 1.85 0.93 0.66 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 0.00 153 K 8.45 4.23 0.00 2.00 1.85 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.59 7.81 154 G 7.80 3.77 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 0.00 0.00 0.00 155 K 7.74 4.49 0.00 1.76 1.82 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.48 7.81 156 T 7.24 4.39 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 1.39 0.00 0.00 157 D 8.61 4.75 0.00 2.73 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 0.00 158 Y 8.34 4.42 0.00 2.72 2.81 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.