NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4247 8.1233 122.4677 51.3472 21.4667 176.3197 3 I 4.4869 7.7725 115.0028 59.2508 39.7106 173.3572 4 N 5.1124 9.6570 125.4933 51.4420 42.6861 173.1603 5 I 4.9533 8.2007 121.7551 59.7112 39.1176 175.0717 6 I 4.9120 8.9012 119.7910 58.7404 41.3896 174.3280 7 E 4.5868 9.0628 123.7496 55.9240 30.0922 175.6822 8 Y 4.2693 8.8026 127.1432 58.0360 40.0904 175.0067 9 N 4.8917 7.9591 121.6578 50.0611 40.8054 175.4577 10 R 3.9765 8.2945 117.9205 59.1269 29.8022 179.2584 11 S 4.1133 7.9544 113.2088 60.7957 63.1613 175.0990 12 Y 4.3692 7.5955 119.1504 58.0264 37.8654 176.6911 13 K 4.0511 7.9143 123.3133 59.6112 32.2496 178.2752 14 E 4.0626 8.0870 117.8371 59.1571 29.5174 178.8938 15 E 4.0163 8.2082 119.1580 59.0612 29.7973 178.4563 16 L 4.0210 8.6560 120.7062 58.2999 42.1453 179.0047 17 I 3.7425 7.8961 119.7056 64.4182 37.0139 178.0414 18 E 3.9273 8.3507 120.1269 59.1110 29.1756 178.5532 19 F 4.0901 8.5162 120.7775 61.3889 39.4247 177.2238 20 I 3.2016 7.9971 119.2116 64.3371 36.9815 178.4872 21 L 4.0691 8.0825 119.9781 57.7904 41.3632 179.7316 22 S 4.0687 8.1474 115.2179 61.6549 62.7816 176.9518 23 I 3.6865 7.0974 121.9741 64.4477 36.7862 178.2238 24 Q 4.2309 7.9802 118.9610 59.0538 28.4782 179.1743 25 K 4.0644 8.5776 118.9284 59.3291 32.3942 179.2785 26 N 4.3272 7.9205 115.2549 55.7349 38.5437 176.5384 27 E 4.1230 7.9899 118.6103 57.8814 30.5240 177.0833 28 F 4.4084 8.0414 113.8621 55.9703 40.0947 175.1763 29 N 4.4949 8.0741 114.3141 52.8753 36.1731 174.4769 30 I 4.0403 7.9333 117.9580 61.0563 38.3920 178.1910 31 K 4.3815 8.3515 126.0039 55.1558 30.3717 175.8180 32 I 4.8288 7.3132 118.9439 59.1507 41.7175 173.4492 33 D 5.0773 8.8142 124.7647 51.9438 44.5356 177.2251 34 R 3.9238 8.5708 119.9303 59.7803 30.1377 178.3800 35 D 4.3820 8.0937 115.9564 57.3025 40.8776 177.2009 36 D 4.5628 7.7074 117.3176 55.8801 41.6992 176.1903 37 Q 4.8419 8.0455 118.4718 53.7989 29.2925 174.9871 38 P 4.2985 0.0000 0.0000 65.4750 31.5656 177.7463 39 D 4.6508 8.0989 120.3826 55.9332 38.8958 178.1896 40 L 4.0170 8.0529 118.9456 56.7464 41.6924 178.5810 41 E 4.3463 8.0152 117.9483 57.7574 30.5703 177.0161 42 N 4.9124 7.6989 117.2151 51.2951 40.5992 174.4104 43 I 3.6698 7.8433 124.6366 63.7087 37.3216 177.2208 44 E 3.9898 8.1213 118.9335 59.7328 29.1460 178.8521 45 H 4.1102 8.4409 116.7178 59.4825 30.1775 176.7561 46 N 4.4402 8.5437 117.9260 54.8874 38.4619 175.7369 47 Y 4.3832 8.4005 116.0483 59.3981 40.1194 178.0390 48 L 3.9905 7.7758 118.9133 58.0505 41.8659 179.2432 49 N 4.4528 8.6337 114.8571 55.5714 38.6041 176.1096 50 S 4.3704 7.9350 110.9303 58.1979 63.4516 174.7723 51 G 3.9940 8.2505 109.4272 45.2092 0.0000 174.2510 52 G 4.2932 7.6069 107.6935 45.4627 0.0000 173.2855 53 Q 4.5350 8.7921 117.6535 54.4976 34.1143 174.6919 54 F 4.1639 7.6618 123.3385 57.0955 42.4296 172.7209 55 W 5.4670 8.7474 126.7894 54.8775 32.4528 174.7646 56 L 5.1496 9.5634 123.9630 52.8494 44.3455 175.3892 57 A 4.8982 8.8027 126.6238 51.2085 20.2011 176.2800 58 I 4.9660 8.6808 116.0259 59.1370 41.5857 175.3264 59 N 5.4978 8.6702 121.7040 50.8769 39.7885 175.1716 60 N 4.3220 8.9093 115.0494 56.0091 37.3404 175.2244 61 H 4.5576 8.3410 113.9345 55.4610 29.1801 175.1227 62 Q 3.7717 8.3021 117.7124 56.8579 26.7564 173.4931 63 N 4.7988 8.2544 115.3113 52.6792 39.3177 174.8511 64 I 4.0387 8.6590 123.1530 61.6370 37.4541 176.4958 65 V 4.1840 8.4090 118.2262 61.1555 33.7978 175.5150 66 G 4.5777 7.2527 106.1381 45.6339 0.0000 172.3351 67 T 5.3201 8.8576 110.6275 60.2924 72.3664 173.1090 68 I 4.3027 7.7832 120.8633 60.0108 41.9962 173.4430 69 G 3.9472 8.8926 115.6751 44.1142 0.0000 171.1355 70 L 5.4657 9.1261 122.9604 53.2173 45.8722 174.9856 71 I 4.7258 8.7550 126.6535 59.4557 40.0074 174.9572 72 R 4.4270 8.5589 125.8650 56.0366 30.6838 176.7680 73 L 4.4285 8.4156 125.0229 53.3213 43.5113 175.4415 74 D 4.6136 7.8848 119.2809 53.4382 40.4662 175.4091 75 N 4.2340 9.0667 113.8488 54.7737 37.0906 173.3506 76 N 4.0244 7.3733 111.9102 53.5299 36.2259 173.0359 *78 S 4.6228 7.3810 114.5223 58.1708 65.9110 173.6618 79 A 5.2300 8.8971 121.5165 50.1209 21.5446 175.2616 80 L 4.7597 9.1781 125.8309 54.8054 43.1665 176.2103 81 K 4.6901 8.9821 123.9193 55.3696 37.1727 173.8480 82 K 3.7978 8.6968 122.7122 56.9030 31.6789 174.7415 *84 F 4.5339 8.1608 119.7874 57.3622 40.7614 174.0377 85 V 5.0198 8.2768 120.6432 60.7585 34.5674 174.6231 86 D 4.5359 9.7743 130.0365 55.1139 41.5779 178.0130 87 K 3.9523 9.1835 127.0355 57.6678 31.7293 175.8326 88 G 3.9446 8.9052 105.0768 46.8886 0.0000 173.6480 89 Y 4.6592 8.2456 116.8309 57.7837 38.8135 176.8652 90 R 4.2163 8.2364 119.3072 57.9553 30.4448 176.8153 91 N 5.0169 8.0107 114.8416 53.2284 39.3222 174.9318 92 L 4.6577 7.7593 115.1546 53.9049 42.9814 177.1073 93 K 4.2462 8.1470 116.7169 57.9292 29.6642 178.1979 94 I 3.8540 7.4047 119.7889 64.3670 36.9334 178.0518 95 G 3.4090 7.9899 106.1484 47.6536 0.0000 175.3663 96 K 4.1774 8.1165 121.5655 59.2600 32.4747 178.6562 97 K 3.9580 8.0790 119.8974 59.3204 32.1215 178.8874 98 L 3.9035 8.1288 119.4196 57.6043 41.6065 179.0623 99 L 4.0410 8.2939 120.6022 58.4801 41.8579 178.6055 100 D 4.4113 8.2478 117.7826 57.3203 40.7861 178.5413 101 K 3.8289 7.5837 118.7158 59.3635 32.4090 178.7780 102 V 4.7164 7.5402 119.3327 65.6110 31.4532 178.3552 103 I 3.7392 7.9838 115.7525 62.9536 36.6974 177.7392 *105 T 4.6482 7.7346 118.5565 64.0478 70.6541 176.1276 106 C 4.2371 8.6674 119.3761 62.7823 28.7171 176.2086 107 K 3.9967 8.4179 119.1747 59.5348 31.9817 179.0601 108 E 3.9661 8.3663 117.9234 59.4801 29.4433 178.3170 109 Q 4.4462 7.8588 114.3004 55.0132 28.8624 174.9184 110 N 4.1872 7.7958 115.2875 54.3069 38.0490 174.1862 111 I 4.2841 7.5692 115.7145 60.5972 37.9365 176.2831 112 D 4.6056 9.0136 124.4426 55.7554 41.9904 176.3056 113 G 4.2192 7.2262 103.0166 46.0309 0.0000 172.8671 114 I 4.9951 7.4007 120.8720 58.5501 40.4207 174.9135 115 Y 5.3891 9.3945 125.5963 57.2152 40.4150 174.6673 116 L 5.1309 8.9984 120.2224 54.9262 44.1158 174.1952 117 G 4.6891 9.0742 108.0577 44.5594 0.0000 172.1351 118 T 4.7965 8.4638 116.5539 61.1302 71.6244 171.7263 119 I 5.1375 8.5094 121.3519 59.2397 40.2768 177.0029 120 D 4.3860 9.1019 125.8296 56.2557 39.3438 178.1671 121 K 4.0251 7.9664 118.3333 59.2441 32.4009 177.6399 122 F 4.2980 7.7664 119.6557 55.8214 36.0688 175.8401 123 I 3.8468 8.1042 125.8242 64.6844 37.8995 179.1138 124 S 4.7288 8.3624 115.6439 61.4056 62.7438 176.2103 125 A 3.7078 8.1005 123.1093 55.1230 18.0503 179.5163 126 Q 3.9823 7.8428 116.3545 59.4536 28.7911 178.6986 127 Y 4.0841 7.4040 117.6010 60.8461 37.6678 178.1138 128 F 4.0031 7.9858 120.5486 61.6859 39.7580 176.5399 129 Y 4.1592 7.5261 115.9172 61.2496 37.3616 178.8498 130 S 4.5631 7.6110 115.5791 60.8339 63.0133 175.6819 131 N 4.6991 8.0847 116.6860 53.6387 38.9599 174.7597 132 N 4.8438 7.7776 118.2843 52.8640 39.4989 175.4637 133 G 3.7802 8.5786 104.7050 45.2714 0.0000 173.4115 134 F 4.8864 7.9533 118.9035 55.9605 41.0040 175.0423 135 R 4.8517 9.0298 119.9688 54.4126 32.3067 174.8681 136 E 4.3179 8.7735 122.0274 55.9059 30.5819 175.2208 137 I 4.7380 8.2645 119.2925 59.1750 41.3043 174.5406 138 K 4.5372 8.8162 120.9845 54.6098 33.9242 178.0197 139 R 2.9806 8.5932 121.1129 59.3999 29.8796 178.6449 140 G 3.7139 7.8479 103.8987 47.1918 0.0000 173.4126 141 D 4.5464 7.7127 118.9133 54.6547 41.5345 177.0328 142 L 3.6428 7.1448 120.0557 53.3711 42.3561 175.2717 143 P 4.3704 0.0000 0.0000 62.0409 32.1744 177.5588 144 S 4.1309 8.4779 114.7310 61.3249 62.9551 175.5481 145 S 4.2374 7.8915 113.4215 59.1355 63.3179 173.8671 146 F 4.0742 7.8916 125.1882 57.3748 39.2049 172.6224 147 P 4.2299 0.0000 0.0000 62.3720 31.4624 175.8031 148 K 4.5585 8.3931 123.1057 54.9124 33.7723 175.9416 149 L 4.8506 8.2752 122.0435 52.7432 44.1248 177.3606 150 D 4.5006 8.9392 123.1484 57.6351 40.9727 178.5273 151 V 3.8246 7.7735 110.9339 63.7360 32.1705 176.3963 152 D 4.6956 8.1926 121.3767 54.5327 40.9732 176.0499 153 N 5.2616 8.8086 118.8080 52.2978 39.3274 174.2779 154 R 4.4738 7.0336 117.7799 54.6924 34.7098 174.0038 155 F 5.4280 8.1059 119.7573 56.2704 43.8058 173.1577 156 Y 5.4763 9.1659 118.3076 57.1378 43.1520 173.3354 157 Y 5.2601 9.3618 121.0312 56.2729 42.8534 173.4099 158 R 4.0713 7.9119 126.8377 54.0643 32.5322 173.7803 159 N 4.4375 8.2407 125.4195 53.2277 39.2985 174.2990 160 L 4.4748 8.5379 125.7704 55.6040 43.7347 176.8548 161 K 4.1231 7.8960 121.5190 57.0110 32.7503 176.5886 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 A 8.12 4.42 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 3 I 7.77 4.49 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.43 0.89 0.00 0.00 4 N 9.66 5.11 0.00 2.63 2.66 0.00 0.00 6.44 7.13 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 5 I 8.20 4.95 1.69 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.68 0.73 0.00 0.00 6 I 8.90 4.91 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 1.20 0.95 0.96 0.00 0.00 7 E 9.06 4.59 0.00 2.09 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 2.24 2.05 0.00 8 Y 8.80 4.27 0.00 3.08 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 9 N 7.96 4.89 0.00 2.84 2.80 0.00 0.00 6.25 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 10 R 8.29 3.98 0.00 1.84 2.03 0.00 3.17 0.00 0.00 3.58 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.96 0.00 11 S 7.95 4.11 0.00 3.78 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 12 Y 7.60 4.37 0.00 2.81 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 13 K 7.91 4.05 0.00 2.05 1.86 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.43 7.81 14 E 8.09 4.06 0.00 2.04 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 2.42 2.32 0.00 15 E 8.21 4.02 0.00 2.10 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 0.00 2.47 2.46 0.00 16 L 8.66 4.02 0.00 1.95 1.98 1.08 0.65 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 17 I 7.90 3.74 1.91 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 1.42 0.66 0.93 0.00 0.00 18 E 8.35 3.93 0.00 2.18 2.16 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 2.35 2.34 0.00 19 F 8.52 4.09 0.00 3.27 3.28 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 20 I 8.00 3.20 1.88 0.00 0.00 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 1.73 0.86 0.84 0.00 0.00 21 L 8.08 4.07 0.00 1.72 1.70 0.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 22 S 8.15 4.07 0.00 3.86 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 23 I 7.10 3.69 1.32 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.32 1.21 0.00 0.00 24 Q 7.98 4.23 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.75 0.00 0.00 0.00 0.00 0.00 2.62 2.26 0.00 25 K 8.58 4.06 0.00 1.81 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.62 7.81 26 N 7.92 4.33 0.00 2.85 2.84 0.00 0.00 7.03 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 27 E 7.99 4.12 0.00 1.86 2.14 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 1.47 2.09 0.00 28 F 8.04 4.41 0.00 3.13 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.07 4.49 0.00 2.80 2.84 0.00 0.00 7.33 7.45 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 30 I 7.93 4.04 2.01 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.74 0.98 0.00 0.00 31 K 8.35 4.38 0.00 1.77 1.80 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.38 7.81 32 I 7.31 4.83 1.94 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.07 1.03 0.00 0.00 33 D 8.81 5.08 0.00 2.86 2.53 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 34 R 8.57 3.92 0.00 1.85 1.94 0.00 3.20 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 35 D 8.09 4.38 0.00 2.72 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 36 D 7.71 4.56 0.00 2.81 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 37 Q 8.05 4.84 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 38 P 0.00 4.30 0.00 2.26 2.32 0.00 3.80 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 39 D 8.10 4.65 0.00 2.92 2.94 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 0.00 0.00 0.00 40 L 8.05 4.02 0.00 1.72 1.73 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.02 4.35 0.00 2.02 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 2.47 2.46 0.00 42 N 7.70 4.91 0.00 2.65 2.65 0.00 0.00 7.03 7.60 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 43 I 7.84 3.67 0.56 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 -0.36 0.06 0.00 0.00 44 E 8.12 3.99 0.00 2.23 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 0.00 2.50 2.57 0.00 45 H 8.44 4.11 0.00 3.11 3.47 0.00 5.94 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 N 8.54 4.44 0.00 2.95 2.60 0.00 0.00 6.88 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 47 Y 8.40 4.38 0.00 3.10 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 48 L 7.78 3.99 0.00 1.87 1.70 0.96 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.63 4.45 0.00 2.68 2.87 0.00 0.00 7.12 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 50 S 7.94 4.37 0.00 3.91 3.87 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 51 G 8.25 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 52 G 7.61 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 0.00 0.00 0.00 0.00 53 Q 8.79 4.54 0.00 1.91 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.65 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 54 F 7.66 4.16 0.00 2.70 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 55 W 8.75 5.47 0.00 3.21 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.72 7.81 82 K 8.70 3.80 0.00 1.95 2.14 0.00 2.07 0.00 0.00 1.93 0.00 0.00 3.11 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.60 1.70 7.81 *84 F 8.16 4.53 0.00 3.27 2.95 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 85 V 8.28 5.02 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 0.87 0.00 0.00 0.85 0.00 0.00 86 D 9.77 4.54 0.00 3.14 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 87 K 9.18 3.95 0.00 1.81 1.74 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.03 7.81 88 G 8.91 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 8.25 4.66 0.00 3.03 2.98 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 90 R 8.24 4.22 0.00 1.84 2.01 0.00 3.25 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.97 0.00 91 N 8.01 5.02 0.00 2.68 2.80 0.00 0.00 6.74 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 92 L 7.76 4.66 0.00 1.74 1.67 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.15 4.25 0.00 2.10 1.93 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.42 1.01 7.81 94 I 7.40 3.85 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.63 0.90 0.00 0.00 95 G 7.99 3.41 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 0.00 96 K 8.12 4.18 0.00 2.06 2.09 0.00 1.65 0.00 0.00 1.85 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.73 7.81 97 K 8.08 3.96 0.00 1.99 1.96 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.43 7.81 98 L 8.13 3.90 0.00 1.89 1.69 0.95 0.36 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 99 L 8.29 4.04 0.00 2.07 1.98 1.19 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.95 4.89 0.00 3.09 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 0.00 135 R 9.03 4.85 0.00 1.93 2.10 0.00 2.81 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.65 0.00 136 E 8.77 4.32 0.00 1.79 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 2.02 1.67 0.00 137 I 8.26 4.74 2.05 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.92 0.97 0.00 0.00 138 K 8.82 4.54 0.00 1.90 1.71 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.38 1.34 7.81 139 R 8.59 2.98 0.00 1.56 1.80 0.00 3.12 0.00 0.00 3.28 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.25 0.00 140 G 7.85 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 0.00 141 D 7.71 4.55 0.00 2.77 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 0.00 142 L 7.14 3.64 0.00 1.40 1.15 0.13 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 143 P 0.00 4.37 0.00 2.08 1.95 0.00 2.84 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.21 0.00 144 S 8.48 4.13 0.00 3.97 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 0.00 145 S 7.89 4.24 0.00 3.99 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 0.00 146 F 7.89 4.07 0.00 2.82 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 0.00 147 P 0.00 4.23 0.00 2.00 1.89 0.00 2.97 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 148 K 8.39 4.56 0.00 1.81 1.86 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.83 7.81 149 L 8.28 4.85 0.00 1.95 1.63 1.01 1.15 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 0.00 150 D 8.94 4.50 0.00 2.71 2.79 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 0.00 0.00 0.00 151 V 7.77 3.82 2.14 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 0.75 0.00 0.00 1.03 0.00 0.00 152 D 8.19 4.70 0.00 3.16 2.57 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 0.00 153 N 8.81 5.26 0.00 2.65 2.85 0.00 0.00 6.78 7.50 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 0.00 154 R 7.03 4.47 0.00 1.63 1.67 0.00 3.31 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 155 F 8.11 5.43 0.00 3.02 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 0.00 156 Y 9.17 5.48 0.00 2.80 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 0.00 157 Y 9.36 5.26 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 0.00 158 R 7.91 4.07 0.00 0.67 0.66 0.00 2.62 0.00 0.00 2.46 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.05 0.00 159 N 8.24 4.44 0.00 2.83 2.62 0.00 0.00 7.14 7.78 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 0.00 160 L 8.54 4.47 0.00 1.49 1.62 0.87 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 161 K 7.90 4.12 0.00 1.86 1.80 0.00 1.80 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.