NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.6777 8.1776 115.5591 57.8085 65.1628 172.6587 4 S 4.2799 7.7009 112.0621 54.3216 66.4775 168.3063 5 V 4.4055 8.8708 120.1650 60.1303 35.3643 174.9558 6 D 5.1294 8.5594 122.5982 52.8895 42.4035 175.7398 7 I 4.7573 8.5975 124.4474 59.4616 40.9595 174.6071 8 Q 5.1939 9.6743 124.5988 54.0562 32.5086 174.6493 9 G 4.4010 9.1042 110.4674 44.6660 0.0000 172.4272 10 N 5.6600 8.4315 124.2304 51.4467 39.8675 174.7457 11 D 4.6142 8.6033 116.1604 56.4929 41.2086 176.8784 12 Q 4.3235 8.2133 117.7921 55.1439 28.9324 175.2191 13 M 2.9597 7.4084 114.6130 56.4359 31.1282 176.5106 14 Q 4.4727 7.4293 114.6761 54.1590 33.4165 175.0513 15 F 5.3826 8.4436 119.4516 56.8038 40.1574 175.9639 16 N 4.7053 8.7183 119.7908 54.4641 37.7170 175.1468 17 T 4.7958 7.7424 112.3515 61.0002 70.6549 172.3571 18 N 5.3373 8.8844 122.3161 52.7151 40.8562 173.4647 19 A 5.2212 8.1600 120.7231 51.1645 22.6829 176.5880 20 I 4.7308 9.2855 123.4522 59.7401 41.3019 174.6715 21 T 4.9722 8.6081 122.0628 61.7757 71.0955 173.3458 22 V 4.0144 8.7557 126.9785 60.8069 33.7378 174.3326 23 D 4.8538 8.6109 128.0656 53.4693 41.5896 176.3135 24 K 4.0957 8.9778 127.1355 59.2311 33.3063 177.9375 25 S 4.3428 8.3183 117.0472 57.5108 61.7136 173.4448 *27 K 4.4152 7.7577 125.1063 56.6275 34.8762 175.9303 28 Q 5.0632 7.9111 115.2056 53.9962 33.1568 174.5750 29 F 4.8746 8.3994 122.1518 56.7368 43.1792 173.4441 30 T 4.7924 7.4429 121.2802 61.4671 71.9144 173.0309 31 V 4.1432 8.4871 125.6941 60.9612 34.1914 173.8010 32 N 5.0822 8.7311 126.2339 51.5994 40.5137 173.4268 33 L 5.1594 8.9928 127.4816 53.3753 44.4055 175.3960 34 S 5.2521 8.8618 119.4123 55.8781 67.3482 172.5028 35 H 6.0155 8.8674 119.5417 52.2114 30.8186 170.6431 36 P 4.5953 0.0000 0.0000 63.0978 32.3984 174.7820 37 G 3.8210 8.4677 104.9973 44.5481 0.0000 172.7255 38 N 4.9514 9.2226 113.6167 52.4941 41.0481 175.2179 39 L 4.2114 7.9170 119.6388 53.4943 42.5324 175.0263 40 P 4.7300 0.0000 0.0000 61.7715 32.5461 176.9638 41 K 3.8201 8.7361 120.5202 59.6762 32.0557 178.4307 42 N 4.8156 8.2254 114.3764 54.5732 37.6763 175.5223 43 V 4.3623 7.7726 117.1686 63.8570 33.7125 175.2480 44 M 4.4139 7.8968 119.3394 53.9533 32.2550 175.0106 45 G 3.9064 6.7346 104.7862 45.9947 0.0000 173.6415 46 H 5.4350 9.2936 119.8594 53.7999 33.1669 172.2580 47 N 5.6972 9.0603 118.3358 50.8634 41.7627 172.4512 48 W 5.0327 9.2050 128.4782 55.6905 33.3550 174.1272 49 V 4.6310 8.0825 127.0152 60.6865 34.4156 173.6911 50 L 4.8445 8.1217 129.2365 53.1100 44.6344 175.2799 51 S 5.3260 8.7837 119.7814 56.7590 67.5407 173.5020 52 T 4.2557 8.6263 109.3972 61.2551 68.8384 175.0107 53 A 3.9543 8.7512 125.0245 55.5755 18.0703 180.2556 54 A 3.9833 7.8564 117.4774 54.7684 18.8215 178.5754 55 D 4.5431 7.8192 115.7041 55.3406 41.1784 178.2038 56 M 3.6126 7.5048 118.9129 58.7640 32.0525 177.7946 57 Q 3.8822 7.9365 118.9580 59.0591 29.1454 178.3486 58 G 3.5339 7.9137 106.2193 47.6821 0.0000 175.6112 59 V 3.6192 7.6953 120.8982 65.6735 31.6078 178.2028 60 V 3.5983 7.9240 118.4843 66.2605 31.3883 178.1047 61 T 3.8604 8.0197 109.6086 65.0646 68.4188 176.2930 62 D 4.5938 8.3585 121.2244 56.6513 41.0796 178.6931 63 G 4.0701 8.2447 108.1661 47.4144 0.0000 175.4630 64 M 4.0374 8.0513 119.5126 58.2728 32.3293 177.6188 65 A 4.2568 7.5201 117.3279 53.7384 19.1603 178.8847 66 S 4.2962 8.2471 113.6774 58.2932 63.2801 175.4754 67 G 3.9456 7.6283 105.8286 45.0247 0.0000 173.9935 68 L 3.0764 7.8017 121.3713 57.5344 42.1755 179.1301 69 D 4.3149 7.8693 116.5248 55.3860 39.3797 176.9199 70 K 4.3962 7.5870 118.3024 55.7982 32.4532 175.9449 71 D 4.3076 8.3009 116.4441 55.4160 38.9506 173.3299 72 Y 3.9027 7.5088 113.5667 58.8470 36.0589 170.5544 73 L 4.9371 7.5870 117.1358 52.6262 45.8369 176.7560 74 K 4.1656 8.5845 124.3515 54.8401 32.7011 174.7567 75 P 4.2710 0.0000 0.0000 64.0332 31.7294 175.7209 76 D 4.3463 8.7351 121.4183 55.2495 38.4510 173.6525 77 D 4.4567 8.0048 118.9278 54.1000 41.1737 176.7669 78 S 4.2995 8.6746 123.7003 61.1112 63.0188 175.8165 79 R 4.0945 8.2758 118.3508 57.4405 30.1902 176.5854 80 V 4.1382 7.4816 118.5704 61.8570 31.6465 175.7390 81 I 3.8927 8.5594 129.5202 64.0936 37.6061 176.0957 82 A 4.7005 7.3954 118.4229 51.7539 22.0843 174.9329 83 H 5.4518 8.6155 113.7893 55.1997 31.3749 173.3495 84 T 4.6450 8.5771 111.3057 60.4287 71.2121 173.7969 85 K 4.5257 9.1480 122.3299 56.0088 34.5421 175.8763 86 L 4.8203 8.7623 123.2337 54.4274 42.6632 175.7929 87 I 4.8261 9.1422 119.6389 59.2827 41.6557 175.0907 88 G 4.4881 8.8195 111.1895 44.1777 0.0000 173.0109 89 S 4.3179 7.8335 114.7227 59.6017 63.0864 175.1955 90 G 3.9045 9.0230 112.1396 45.3987 0.0000 172.8528 91 E 4.8245 7.7792 119.3028 54.9254 32.3713 174.8109 92 K 5.0474 8.2519 118.4433 56.3059 35.7786 174.4953 93 D 4.7709 8.9787 119.9123 53.5963 45.2832 173.6832 94 S 5.1658 8.4311 115.7598 56.5614 65.8471 173.2609 95 V 4.6338 8.6704 124.5680 60.2264 34.8142 174.3515 96 T 5.1563 8.5799 118.7645 61.7978 71.6506 173.1091 97 F 5.1310 8.3345 119.6232 54.9341 42.5148 173.6610 98 D 4.9887 8.7710 119.8574 53.8364 41.5142 177.7846 99 V 3.6819 8.6205 124.7745 65.6123 31.6232 176.1033 100 P 4.4051 0.0000 0.0000 64.4130 31.2190 177.3614 101 K 4.1800 7.9246 117.0449 58.0749 32.2485 177.0579 102 L 4.5544 7.8103 118.9202 52.9719 43.2990 175.7973 103 K 4.6470 9.2577 121.4286 54.2143 33.9657 175.9597 104 E 3.9906 8.6660 124.5225 57.7200 30.0213 177.1190 105 G 3.9630 9.0434 113.8133 45.1921 0.0000 172.7034 106 E 4.2916 7.4730 120.2742 54.5875 31.0838 174.6809 107 Q 4.3551 8.1003 125.9903 55.3606 30.4446 173.8576 108 Y 5.1461 8.4289 123.9332 56.5434 41.6786 174.7112 109 M 5.3941 9.1762 120.7561 53.5789 36.4573 174.5266 110 F 4.9262 8.2927 117.2882 55.2780 41.1373 174.2172 111 F 5.8853 7.6928 113.7686 57.4995 41.5629 171.9167 112 C 5.4958 9.2642 120.1331 57.7888 32.4085 173.3607 113 T 4.4959 9.5493 115.5120 61.3829 69.3627 174.9090 114 F 3.5784 8.1684 125.7439 57.4537 39.8612 172.0853 115 P 3.9998 0.0000 0.0000 64.5703 31.5201 176.1230 116 G 4.1383 8.9547 112.0184 45.9601 0.0000 174.9844 117 H 4.2940 8.5119 117.3561 58.7118 28.7909 177.6665 118 S 4.4713 8.1249 112.3785 60.3068 63.0489 175.0376 119 A 4.1246 7.7777 123.9022 54.5961 18.1562 178.1967 120 L 4.6164 7.7717 112.5836 55.3928 44.4689 176.9599 121 M 4.5152 8.1678 120.6688 53.2144 30.4992 175.2887 122 K 5.0792 8.0508 119.4082 56.0053 36.2645 175.3710 123 G 3.6541 7.9176 107.6505 45.8168 0.0000 171.9241 124 T 5.1024 8.5301 110.2863 60.0128 71.3918 173.6052 125 L 5.4434 9.0035 124.7901 53.8257 45.6770 175.0493 126 T 4.8401 8.8427 119.6340 60.2868 71.3689 171.8079 127 L 5.0282 8.6563 128.9462 53.5372 43.8322 176.2091 128 K 4.3118 8.9180 125.0120 56.5880 32.9847 176.0912 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 3 S 8.18 4.68 0.00 3.89 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 4 S 7.70 4.28 0.00 3.62 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 5 V 8.87 4.41 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 0.61 0.00 0.00 0.86 0.00 0.00 6 D 8.56 5.13 0.00 2.50 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 7 I 8.60 4.76 1.64 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.42 0.75 0.00 0.00 8 Q 9.67 5.19 0.00 2.01 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 9 G 9.10 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 0.00 0.00 0.00 0.00 10 N 8.43 5.66 0.00 2.98 3.00 0.00 0.00 6.59 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 11 D 8.60 4.61 0.00 2.71 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 12 Q 8.21 4.32 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 13 M 7.41 2.96 0.00 2.09 1.97 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 1.99 2.20 0.00 14 Q 7.43 4.47 0.00 2.06 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.76 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 15 F 8.44 5.38 0.00 3.21 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 16 N 8.72 4.71 0.00 2.92 3.01 0.00 0.00 6.61 7.73 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 17 T 7.74 4.80 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 1.27 0.00 0.00 18 N 8.88 5.34 0.00 2.79 2.78 0.00 0.00 6.69 7.11 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 19 A 8.16 5.22 1.26 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 0.00 0.00 20 I 9.29 4.73 2.04 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.84 0.93 0.00 0.00 21 T 8.61 4.97 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 1.21 0.00 0.00 22 V 8.76 4.01 1.85 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 0.61 0.00 0.00 0.09 0.00 0.00 23 D 8.61 4.85 0.00 2.68 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 24 K 8.98 4.10 0.00 1.86 1.94 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.57 1.38 7.81 25 S 8.32 4.34 0.00 3.97 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 *27 K 7.76 4.42 0.00 1.88 1.86 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.80 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.48 7.81 28 Q 7.91 5.06 0.00 1.81 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.48 0.00 0.00 0.00 0.00 0.00 2.18 2.43 0.00 29 F 8.40 4.87 0.00 2.61 1.80 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 30 T 7.44 4.79 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 31 V 8.49 4.14 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 -0.06 0.00 0.00 -0.02 0.00 0.00 32 N 8.73 5.08 0.00 2.64 2.61 0.00 0.00 6.08 7.56 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 33 L 8.99 5.16 0.00 1.68 1.65 1.13 0.92 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 34 S 8.86 5.25 0.00 3.93 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 35 H 8.87 6.02 0.00 3.23 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.60 0.00 2.15 2.07 0.00 4.09 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 37 G 8.47 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 38 N 9.22 4.95 0.00 2.61 2.80 0.00 0.00 7.02 7.48 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 39 L 7.92 4.21 0.00 1.80 1.54 0.90 0.87 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 40 P 0.00 4.73 0.00 2.23 2.16 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 41 K 8.74 3.82 0.00 1.84 1.92 0.00 1.98 0.00 0.00 1.93 0.00 0.00 2.97 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.64 1.57 7.81 42 N 8.23 4.82 0.00 2.97 3.02 0.00 0.00 5.77 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 43 V 7.77 4.36 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 0.83 0.00 0.00 0.97 0.00 0.00 44 M 7.90 4.41 0.00 1.84 1.83 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 2.37 2.48 0.00 45 G 6.73 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 0.00 0.00 0.00 46 H 9.29 5.43 0.00 3.12 3.20 0.00 5.56 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 9.06 5.70 0.00 2.98 3.20 0.00 0.00 5.64 8.88 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 48 W 9.21 5.03 0.00 3.41 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 49 V 8.08 4.63 1.41 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 0.66 0.00 0.00 0.97 0.00 0.00 50 L 8.12 4.84 0.00 0.78 1.17 0.83 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.78 5.33 0.00 4.08 4.09 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 0.00 0.00 0.00 52 T 8.63 4.26 4.09 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 0.00 0.00 1.20 0.00 0.00 53 A 8.75 3.95 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 54 A 7.86 3.98 1.26 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 0.00 0.00 55 D 7.82 4.54 0.00 2.88 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 56 M 7.50 3.61 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.85 0.00 57 Q 7.94 3.88 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 58 G 7.91 3.53 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 0.00 0.00 0.00 59 V 7.70 3.62 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 1.31 0.00 0.00 1.09 0.00 0.00 60 V 7.92 3.60 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 0.92 0.00 0.00 0.62 0.00 0.00 61 T 8.02 3.86 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 1.27 0.00 0.00 62 D 8.36 4.59 0.00 2.75 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 63 G 8.24 4.07 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 0.00 64 M 8.05 4.04 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 65 A 7.52 4.26 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 66 S 8.25 4.30 0.00 4.05 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 67 G 7.63 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 68 L 7.80 3.08 0.00 1.59 1.54 1.01 1.16 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 69 D 7.87 4.31 0.00 2.77 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 70 K 7.59 4.40 0.00 1.88 1.76 0.00 1.92 0.00 0.00 1.79 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.36 7.81 71 D 8.30 4.31 0.00 2.83 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 72 Y 7.51 3.90 0.00 3.21 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 73 L 7.59 4.94 0.00 1.70 1.48 0.70 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.58 4.17 0.00 1.73 1.74 0.00 1.62 0.00 0.00 2.37 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.43 7.81 75 P 0.00 4.27 0.00 2.08 1.98 0.00 3.88 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 76 D 8.74 4.35 0.00 2.84 2.77 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 77 D 8.00 4.46 0.00 2.91 2.59 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 78 S 8.67 4.30 0.00 3.92 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 79 R 8.28 4.09 0.00 1.95 2.02 0.00 3.17 0.00 0.00 3.16 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.58 0.00 80 V 7.48 4.14 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 0.83 0.00 0.00 0.97 0.00 0.00 81 I 8.56 3.89 1.75 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 1.22 0.65 0.69 0.00 0.00 82 A 7.40 4.70 1.13 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 0.00 0.00 0.00 0.00 0.00 83 H 8.62 5.45 0.00 3.16 3.26 0.00 5.71 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.58 4.64 4.50 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 0.00 0.00 0.00 1.34 0.00 0.00 85 K 9.15 4.53 0.00 1.98 1.94 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.65 1.45 7.81 86 L 8.76 4.82 0.00 1.83 1.86 1.21 1.12 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 87 I 9.14 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 1.48 0.85 0.98 0.00 0.00 88 G 8.82 4.49 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 89 S 7.83 4.32 0.00 4.08 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 90 G 9.02 3.90 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 0.00 0.00 0.00 91 E 7.78 4.82 0.00 2.11 1.90 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 2.26 2.24 0.00 92 K 8.25 5.05 0.00 1.79 1.73 0.00 1.57 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.43 7.81 93 D 8.98 4.77 0.00 2.82 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 94 S 8.43 5.17 0.00 3.86 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 95 V 8.67 4.63 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 0.91 0.00 0.00 1.09 0.00 0.00 96 T 8.58 5.16 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 1.09 0.00 0.00 97 F 8.33 5.13 0.00 3.14 3.11 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 98 D 8.77 4.99 0.00 2.82 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 99 V 8.62 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 1.04 0.00 0.00 0.84 0.00 0.00 100 P 0.00 4.41 0.00 2.11 2.12 0.00 3.72 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 2.04 2.13 0.00 101 K 7.92 4.18 0.00 2.06 1.89 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.48 7.81 102 L 7.81 4.55 0.00 1.66 1.39 0.85 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 103 K 9.26 4.65 0.00 1.90 1.78 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.45 7.81 104 E 8.67 3.99 0.00 1.96 1.89 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 2.32 2.34 0.00 105 G 9.04 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 0.00 106 E 7.47 4.29 0.00 1.78 1.90 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 1.78 1.47 0.00 107 Q 8.10 4.36 0.00 2.09 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 108 Y 8.43 5.15 0.00 3.19 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 0.00 109 M 9.18 5.39 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.59 0.00 110 F 8.29 4.93 0.00 1.51 2.40 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 0.00 111 F 7.69 5.89 0.00 3.16 3.12 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 0.00 112 C 9.26 5.50 0.00 3.05 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 0.00 113 T 9.55 4.50 4.45 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 1.50 0.00 0.00 114 F 8.17 3.58 0.00 3.16 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 0.00 115 P 0.00 4.00 0.00 1.63 1.73 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.38 0.00 116 G 8.95 4.14 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 0.00 0.00 0.00 117 H 8.51 4.29 0.00 3.42 3.33 0.00 5.65 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.12 4.47 0.00 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 0.00 119 A 7.78 4.12 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 0.00 120 L 7.77 4.62 0.00 1.67 1.65 0.89 0.87 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 0.00 121 M 8.17 4.52 0.00 1.14 1.93 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.13 0.00 122 K 8.05 5.08 0.00 1.66 1.77 0.00 1.55 0.00 0.00 1.82 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.40 7.81 123 G 7.92 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.53 5.10 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 1.20 0.00 0.00 125 L 9.00 5.44 0.00 2.06 1.72 1.16 0.49 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 0.00 126 T 8.84 4.84 4.32 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 1.26 0.00 0.00 127 L 8.66 5.03 0.00 1.70 1.62 0.94 0.63 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 0.00 128 K 8.92 4.31 0.00 1.74 1.62 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.35 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.