NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 T 4.2502 8.1744 115.2440 61.3343 67.6591 173.3250 9 K 3.9572 8.2975 130.4882 55.2761 33.0161 174.9479 10 P 4.3055 0.0000 0.0000 65.7758 32.3826 178.4648 11 Q 4.0708 8.0696 116.3595 58.5487 28.9894 179.0571 12 C 4.5601 7.8318 115.0781 58.6705 37.4224 174.4324 13 R 4.3430 8.0185 116.4949 55.0068 30.3374 175.4798 *16 P 4.6125 0.0000 0.0000 62.7668 33.1082 178.6375 17 E 4.0243 8.1732 117.0890 59.3611 29.5278 178.8036 18 D 4.3046 8.0246 117.7710 56.6377 41.0491 177.2592 19 Y 4.3292 8.1524 115.6462 58.2827 38.1741 177.0367 20 A 4.0206 7.6772 122.1833 55.8349 18.3638 179.5006 21 T 3.8229 7.8921 112.6358 67.0726 68.6366 176.9685 22 R 4.2111 7.8414 120.4947 58.5952 30.1742 178.9231 23 L 4.0193 8.4185 119.3733 57.8504 41.6562 179.3347 24 Q 3.9995 8.4640 119.8034 59.1511 28.9000 177.9467 25 D 4.3550 8.4769 120.2216 57.5263 40.9646 178.4464 26 L 4.1008 8.0075 119.3799 58.4180 41.6887 180.1365 27 R 4.1447 7.9656 117.0394 59.2100 29.8326 179.5434 28 V 3.7047 8.0116 112.3291 64.6904 31.0900 178.7256 29 T 3.9197 8.1999 115.6576 66.7039 68.2060 176.5161 30 F 3.9765 8.4517 122.2414 61.1706 39.1047 176.6669 31 H 4.0891 8.0527 117.9213 58.9499 29.7416 177.0575 32 R 4.0215 7.6957 117.1517 57.8700 29.8171 178.0056 33 V 4.1203 6.9012 117.7094 60.9057 32.0564 177.1035 34 K 3.0757 7.2169 122.1468 59.2880 31.7051 176.6254 35 P 4.4642 0.0000 0.0000 65.9415 31.0968 178.1214 36 T 4.1241 7.5749 114.5491 66.4278 68.7112 176.4249 37 L 4.0211 7.5383 119.5567 56.4658 41.9674 177.6295 38 Q 4.5799 8.5120 118.6191 55.6548 29.3346 177.6728 *40 R 4.3572 7.9540 115.1589 55.9780 31.3812 174.9345 41 E 3.9334 8.1506 118.2430 56.6065 29.7006 175.5620 42 D 4.2120 8.1568 118.1571 53.9472 41.7640 175.3145 43 D 4.3239 7.6042 118.5581 54.7354 41.3061 175.3945 44 Y 4.9418 8.1418 126.2503 57.7571 38.7314 176.0682 45 S 4.5758 8.1724 113.8923 57.3050 64.6484 173.7020 46 V 4.3071 8.0776 121.1095 61.0117 31.9789 175.3602 47 W 4.5114 9.1156 135.0000 60.3276 30.8367 177.0759 48 L 4.1823 7.7007 120.7197 52.6963 39.7613 175.7412 49 D 4.6430 7.9906 123.7387 52.3463 40.4132 178.4350 50 G 3.6340 8.6228 108.1669 48.1904 0.0000 174.5037 51 T 4.3475 8.1729 109.1134 61.6367 70.0916 177.0815 52 V 3.4588 7.4645 122.9954 65.0457 31.2507 177.9619 *56 V 4.3796 7.5283 116.6411 62.2302 32.5998 174.6283 57 K 4.3276 8.4588 117.5508 55.8082 33.5639 177.4563 58 G 3.6885 8.3355 107.8636 44.6101 0.0000 173.5586 59 C 3.7889 7.8440 114.9755 62.6111 28.1065 176.2910 60 W 4.8784 7.2174 118.5933 58.7322 28.4935 178.3156 61 G 3.9463 7.7170 106.7687 48.2159 0.0000 172.7965 62 C 4.1363 8.3845 116.7962 58.4307 38.7104 176.0236 63 S 4.1262 8.1055 114.9300 60.9568 62.0862 176.0045 64 V 3.6599 7.9128 121.0046 66.1682 31.2008 177.3650 65 M 4.0238 8.4369 118.3457 58.9613 32.0563 177.6099 66 D 4.4960 7.9995 118.0172 57.2835 41.3119 178.0855 67 W 4.1311 8.3186 128.8643 60.3571 30.6529 178.0566 68 L 3.7631 8.5334 119.4053 57.5737 41.0015 179.3532 69 L 3.8906 8.0754 119.0841 57.9631 41.5462 179.9129 70 R 3.5952 7.7039 117.8087 58.9684 29.9520 178.7134 71 R 3.4681 7.6798 118.7545 59.7027 29.8985 177.9187 72 Y 3.8084 8.0357 115.9808 61.2540 37.7849 178.9014 73 L 4.1850 8.0735 118.4253 57.4762 41.7588 178.6621 74 E 4.4135 8.4547 117.1682 56.9960 30.3499 177.0997 75 I 4.2342 7.8592 117.3865 62.8850 39.1335 177.9393 76 V 3.5464 7.3397 118.1949 65.9134 31.5390 177.4876 77 F 4.1368 8.1002 117.3628 60.5115 38.5250 175.7861 78 P 4.3432 0.0000 0.0000 65.9630 30.9908 178.4615 79 A 4.1631 7.9694 118.9801 54.8845 18.1651 179.8564 80 G 3.7742 8.6722 104.9028 48.2719 0.0000 175.4845 81 D 4.5794 7.7706 118.9983 57.6514 40.9374 178.3774 82 H 4.3930 8.2016 115.2043 57.3204 28.8246 176.4023 83 V 4.0605 7.6444 118.7797 62.1998 33.4921 175.6733 84 Y 4.7383 8.4366 118.0871 54.7445 37.9270 173.8927 85 P 4.2483 0.0000 0.0000 65.8736 31.7370 179.4096 86 G 3.9191 8.1576 103.9618 46.2287 0.0000 173.9418 87 L 4.8081 8.0257 119.0561 53.9386 42.6529 177.8876 88 K 3.8357 7.9081 120.4057 60.1121 32.0663 178.9786 89 T 3.7887 7.7841 115.0779 66.6931 68.4252 176.4380 90 E 4.0001 8.0791 119.8796 59.4565 29.6203 179.2334 91 L 4.1813 8.3031 119.3398 58.2944 41.7244 179.3913 92 H 4.1414 8.8111 116.5045 58.5289 28.4585 177.8747 93 S 3.9982 7.8448 114.6367 61.6086 62.3321 175.9111 94 M 3.9693 8.0711 121.4305 58.6027 31.3946 178.9141 95 R 3.4347 7.0616 118.0817 58.6294 29.9527 178.1607 96 S 4.1763 7.5020 112.4430 60.9736 62.4155 176.1681 97 T 3.9126 8.1021 118.9057 66.3920 68.3025 176.5594 98 L 3.9529 8.3471 122.6959 58.1789 41.8595 178.7767 99 E 4.0315 7.9380 118.7625 59.2016 29.4836 178.6239 100 S 4.1256 8.0073 113.2561 61.4994 62.4288 176.2123 101 I 3.9571 8.1708 122.7747 64.8118 36.6347 177.4362 102 Y 4.2740 7.9544 119.3245 60.5263 38.9447 177.5228 103 K 3.7877 8.1122 119.0752 59.7729 31.8947 178.5969 104 D 4.3491 7.9029 117.9486 57.8434 40.6586 178.3343 105 M 4.3137 8.1652 118.5792 57.9307 31.6160 178.9509 106 R 3.9233 7.5055 118.1636 59.0616 30.3712 177.8911 107 Q 3.9217 7.5467 115.6367 58.1232 29.1124 175.7517 108 C 4.6889 7.6032 117.2184 54.0537 44.3020 172.0685 109 P 4.1805 0.0000 0.0000 65.6680 30.9921 178.7854 110 L 3.9724 7.9385 117.2188 57.2158 41.9725 177.2976 111 L 4.2763 7.7446 116.7742 55.5786 42.0401 176.3594 112 G 4.0192 7.8189 108.6563 43.8843 0.0000 171.3331 *114 C 4.7401 7.8740 114.5220 57.1099 41.6479 174.4183 *116 G 4.1740 8.3789 113.4833 45.2729 0.0000 171.9168 117 D 4.8300 7.6757 114.0760 52.0890 41.7036 177.6892 118 K 4.2570 7.9582 120.6455 58.1984 32.5124 178.2561 119 S 4.0844 7.9421 114.5514 61.4956 63.0217 176.4990 120 V 3.5864 7.7333 121.7703 65.6531 31.3712 177.9033 121 I 3.7783 7.7466 119.0014 64.2094 36.8938 178.3961 122 S 4.0672 7.9585 116.2554 61.5139 62.7458 176.1923 123 R 3.8603 7.9142 121.1780 59.7005 29.7799 178.1187 124 L 3.9156 7.7926 118.2622 58.0334 41.4933 179.5624 125 S 4.0741 7.8081 111.1124 61.6846 62.5722 175.7353 126 Q 4.0868 8.6497 120.8457 59.3084 28.0276 178.7031 127 E 3.9396 8.9072 119.3530 59.6971 29.6272 179.5129 128 A 3.7627 8.1442 120.4213 54.5472 18.5258 179.0037 129 E 4.1065 8.4530 118.2745 58.5620 29.4478 178.0261 130 R 4.1816 7.2545 115.6621 56.2561 30.0153 176.0626 131 K 4.6879 7.6739 118.0433 54.3074 34.3885 177.6452 132 S 4.3406 8.6231 115.9238 60.2954 63.0643 174.4245 133 D 4.7567 7.6552 118.9971 52.6563 40.0009 175.8729 134 N 5.1293 7.8688 114.1326 54.9416 36.2936 175.3828 135 G 3.9716 8.3139 105.8751 45.8946 0.0000 176.1730 136 T 3.8088 7.5667 117.2185 66.7909 68.5654 175.9562 137 R 3.8476 8.2219 120.2797 59.5689 29.9170 178.4531 138 K 3.9891 8.1231 117.3456 59.4480 31.8231 179.2038 139 G 3.6913 8.5376 106.1993 47.9597 0.0000 175.9102 140 L 4.0965 8.0328 122.0411 56.7164 41.4289 179.2035 141 S 4.3075 7.8183 112.4667 59.8670 63.5122 175.1161 142 E 4.5206 7.4924 120.8056 56.0370 29.4630 177.1401 143 L 3.4566 7.2496 122.3112 57.7572 41.6216 179.0220 144 D 4.3152 7.8037 118.1287 56.9774 39.1526 178.5846 145 T 3.8004 7.6858 117.1593 65.8708 68.4587 175.9197 146 L 3.8450 7.9376 122.3897 58.4118 42.0760 179.0477 147 F 4.6688 7.8227 117.8184 60.9021 38.7778 177.9801 148 S 4.2378 8.2816 114.8527 61.6021 62.6760 176.8677 149 R 4.0422 8.3198 121.0695 58.9570 29.6946 178.8682 150 L 3.9751 8.5151 120.5601 58.2329 42.0632 178.5971 151 E 3.9324 8.4172 119.2992 59.3916 29.3627 178.4025 152 E 4.0253 8.5542 118.6447 59.3873 29.7455 177.7728 153 Y 4.1990 8.5879 120.0998 60.7167 38.7280 178.1274 154 L 3.9241 8.3262 120.1163 57.9290 41.5489 178.6767 155 H 4.5694 7.7958 114.2292 57.2695 28.8709 176.9010 156 S 4.4142 7.3592 115.2666 59.7118 63.4509 174.2972 157 R 4.0190 7.1893 124.5078 56.3548 29.8594 176.0522 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 T 8.17 4.25 4.25 0.00 0.00 0.00 0.00 0.00 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 9 K 8.30 3.96 0.00 1.91 1.68 0.00 1.78 0.00 0.00 1.83 0.00 0.00 3.18 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.65 1.52 7.81 10 P 0.00 4.31 0.00 2.19 2.03 0.00 3.67 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 2.09 2.10 0.00 11 Q 8.07 4.07 0.00 2.06 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.05 0.00 0.00 0.00 0.00 0.00 2.36 2.67 0.00 12 C 7.83 4.56 0.00 3.23 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 13 R 8.02 4.34 0.00 2.20 2.08 0.00 2.80 0.00 0.00 3.42 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.68 0.00 *16 P 0.00 4.61 0.00 2.27 2.21 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 17 E 8.17 4.02 0.00 2.09 2.02 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 2.42 2.43 0.00 18 D 8.02 4.30 0.00 2.69 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 0.00 0.00 0.00 0.00 19 Y 8.15 4.33 0.00 3.20 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 20 A 7.68 4.02 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 21 T 7.89 3.82 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 1.24 0.00 0.00 22 R 7.84 4.21 0.00 1.88 2.02 0.00 3.42 0.00 0.00 3.27 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.56 0.00 23 L 8.42 4.02 0.00 1.96 1.75 0.97 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 24 Q 8.46 4.00 0.00 2.12 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 25 D 8.48 4.36 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.01 4.10 0.00 1.93 1.77 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.97 4.14 0.00 2.05 2.05 0.00 3.31 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 28 V 8.01 3.70 2.11 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 0.88 0.00 0.00 1.02 0.00 0.00 29 T 8.20 3.92 4.46 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 1.27 0.00 0.00 30 F 8.45 3.98 0.00 3.29 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 31 H 8.05 4.09 0.00 3.31 3.55 0.00 6.00 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.70 4.02 0.00 1.95 2.02 0.00 3.09 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.83 0.00 33 V 6.90 4.12 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 0.69 0.00 0.00 0.81 0.00 0.00 34 K 7.22 3.08 0.00 1.41 1.55 0.00 1.56 0.00 0.00 1.62 0.00 0.00 3.09 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.37 1.07 7.81 35 P 0.00 4.46 0.00 2.22 2.11 0.00 3.58 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.97 0.00 36 T 7.57 4.12 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 1.36 0.00 0.00 37 L 7.54 4.02 0.00 1.54 1.69 0.93 -0.26 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 38 Q 8.51 4.58 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.04 6.38 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 *40 R 7.95 4.36 0.00 1.98 2.43 0.00 2.72 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.64 0.00 41 E 8.15 3.93 0.00 1.96 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 2.28 2.27 0.00 42 D 8.16 4.21 0.00 2.56 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 43 D 7.60 4.32 0.00 2.55 2.65 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 44 Y 8.14 4.94 0.00 3.03 2.91 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 45 S 8.17 4.58 0.00 4.05 3.93 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 0.00 0.00 0.00 46 V 8.08 4.31 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 0.89 0.00 0.00 1.01 0.00 0.00 47 W 9.12 4.51 0.00 3.20 3.33 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 48 L 7.70 4.18 0.00 1.68 1.53 0.99 0.20 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 49 D 7.99 4.64 0.00 2.83 2.84 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 50 G 8.62 3.63 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 0.00 0.00 0.00 51 T 8.17 4.35 4.25 0.00 0.00 0.00 0.00 0.00 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 52 V 7.46 3.46 2.11 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 0.62 0.00 0.00 0.82 0.00 0.00 *56 V 7.53 4.38 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 1.17 0.00 0.00 0.94 0.00 0.00 57 K 8.46 4.33 0.00 1.84 1.68 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.36 7.81 58 G 8.34 3.69 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 0.00 59 C 7.84 3.79 0.00 1.29 1.87 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 60 W 7.22 4.88 0.00 3.34 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 61 G 7.72 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 62 C 8.38 4.14 0.00 3.18 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.11 4.13 0.00 4.03 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 0.00 64 V 7.91 3.66 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 1.09 0.00 0.00 1.01 0.00 0.00 65 M 8.44 4.02 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.62 0.00 66 D 8.00 4.50 0.00 2.94 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 67 W 8.32 4.13 0.00 3.50 3.43 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 68 L 8.53 3.76 0.00 1.94 1.79 0.90 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.08 3.89 0.00 1.49 1.24 1.13 1.16 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 70 R 7.70 3.60 0.00 1.66 1.84 0.00 3.33 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 71 R 7.68 3.47 0.00 0.77 1.61 0.00 2.88 0.00 0.00 2.65 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.30 0.00 72 Y 8.04 3.81 0.00 3.21 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 73 L 8.07 4.19 0.00 1.57 1.74 0.88 1.25 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 74 E 8.45 4.41 0.00 2.02 1.96 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 2.26 2.31 0.00 75 I 7.86 4.23 1.83 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 1.30 0.77 0.82 0.00 0.00 76 V 7.34 3.55 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.44 0.00 0.00 77 F 8.10 4.14 0.00 3.42 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 78 P 0.00 4.34 0.00 2.17 2.15 0.00 3.70 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.23 0.00 79 A 7.97 4.16 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 80 G 8.67 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 81 D 7.77 4.58 0.00 2.97 2.86 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 0.00 82 H 8.20 4.39 0.00 3.23 3.37 0.00 5.81 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 7.64 4.06 1.96 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 0.98 0.00 0.00 0.21 0.00 0.00 84 Y 8.44 4.74 0.00 3.06 2.91 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 85 P 0.00 4.25 0.00 2.22 2.32 0.00 3.77 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 2.09 1.97 0.00 86 G 8.16 3.92 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 0.00 0.00 0.00 87 L 8.03 4.81 0.00 1.89 1.68 0.81 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.91 3.84 0.00 1.68 1.69 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.73 7.81 89 T 7.78 3.79 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 1.20 0.00 0.00 90 E 8.08 4.00 0.00 2.22 2.04 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 2.40 2.47 0.00 91 L 8.30 4.18 0.00 1.83 2.02 1.12 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.81 4.14 0.00 3.13 3.31 0.00 5.64 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 93 S 7.84 4.00 0.00 4.00 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 94 M 8.07 3.97 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.66 0.00 95 R 7.06 3.43 0.00 0.67 1.42 0.00 3.32 0.00 0.00 3.05 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.47 0.00 96 S 7.50 4.18 0.00 3.98 3.92 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 97 T 8.10 3.91 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 1.28 0.00 0.00 98 L 8.35 3.95 0.00 1.85 1.68 0.92 0.97 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 99 E 7.94 4.03 0.00 2.32 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 2.33 2.42 0.00 100 S 8.01 4.13 0.00 4.07 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 0.00 101 I 8.17 3.96 2.21 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 1.64 0.67 1.11 0.00 0.00 102 Y 7.95 4.27 0.00 3.01 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 0.00 103 K 8.11 3.79 0.00 1.80 1.85 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.55 7.81 104 D 7.90 4.35 0.00 3.08 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 0.00 105 M 8.17 4.31 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.29 0.00 106 R 7.51 3.92 0.00 1.82 1.87 0.00 2.68 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.31 0.00 107 Q 7.55 3.92 0.00 2.28 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 108 C 7.60 4.69 0.00 3.03 3.13 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 0.00 109 P 0.00 4.18 0.00 2.22 2.10 0.00 3.67 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 2.12 2.09 0.00 110 L 7.94 3.97 0.00 1.58 1.71 0.92 0.95 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 0.00 111 L 7.74 4.28 0.00 1.99 1.66 0.91 0.86 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 0.00 112 G 7.82 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 *114 C 7.87 4.74 0.00 3.14 3.21 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 0.00 *116 G 8.38 4.17 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 0.00 0.00 0.00 117 D 7.68 4.83 0.00 2.79 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 0.00 118 K 7.96 4.26 0.00 1.82 1.84 0.00 1.75 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.44 7.81 119 S 7.94 4.08 0.00 4.09 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 0.00 120 V 7.73 3.59 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 1.06 0.00 0.00 0.94 0.00 0.00 121 I 7.75 3.78 2.01 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 1.64 0.82 0.91 0.00 0.00 122 S 7.96 4.07 0.00 4.11 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 0.00 123 R 7.91 3.86 0.00 1.89 2.09 0.00 3.11 0.00 0.00 3.16 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.69 0.00 124 L 7.79 3.92 0.00 1.74 1.70 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 125 S 7.81 4.07 0.00 4.01 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 0.00 126 Q 8.65 4.09 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.50 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 127 E 8.91 3.94 0.00 1.94 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 2.33 2.53 0.00 128 A 8.14 3.76 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 0.00 129 E 8.45 4.11 0.00 2.15 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 2.29 2.38 0.00 130 R 7.25 4.18 0.00 1.71 1.92 0.00 3.17 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 131 K 7.67 4.69 0.00 1.84 1.67 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.51 1.47 7.81 132 S 8.62 4.34 0.00 3.97 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 0.00 133 D 7.66 4.76 0.00 2.78 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 0.00 134 N 7.87 5.13 0.00 2.92 3.01 0.00 0.00 7.14 8.23 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 0.00 135 G 8.31 3.97 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 0.00 0.00 0.00 136 T 7.57 3.81 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 1.20 0.00 0.00 137 R 8.22 3.85 0.00 2.11 1.90 0.00 3.11 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 138 K 8.12 3.99 0.00 1.74 1.86 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.45 7.81 139 G 8.54 3.69 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 0.00 140 L 8.03 4.10 0.00 1.66 1.71 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 141 S 7.82 4.31 0.00 4.04 3.97 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 0.00 142 E 7.49 4.52 0.00 1.97 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 2.20 2.51 0.00 143 L 7.25 3.46 0.00 1.51 1.16 0.94 0.71 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 0.00 144 D 7.80 4.32 0.00 2.88 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 0.00 145 T 7.69 3.80 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 1.18 0.00 0.00 146 L 7.94 3.84 0.00 1.50 1.40 0.87 0.93 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 0.00 147 F 7.82 4.67 0.00 3.22 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 0.00 148 S 8.28 4.24 0.00 4.06 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 0.00 149 R 8.32 4.04 0.00 1.97 2.01 0.00 3.32 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.78 0.00 150 L 8.52 3.98 0.00 1.89 1.96 0.96 0.95 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 0.00 151 E 8.42 3.93 0.00 2.30 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 2.36 0.00 152 E 8.55 4.03 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 153 Y 8.59 4.20 0.00 3.21 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 0.00 154 L 8.33 3.92 0.00 1.76 1.63 0.94 1.24 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 0.00 155 H 7.80 4.57 0.00 3.06 3.34 0.00 5.84 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 7.36 4.41 0.00 3.95 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 0.00 157 R 7.19 4.02 0.00 1.77 1.77 0.00 2.89 0.00 0.00 2.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 * Residues marked with a * may have inaccurate shift predictions.