NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.7221 8.3044 120.3270 54.8835 34.4030 175.3807 5 S 4.1576 7.8560 114.7783 57.3462 63.8475 171.2961 6 L 4.7184 9.4343 129.9758 55.3771 43.6891 174.6086 7 Y 5.1222 9.4691 122.9868 56.2924 42.9238 174.1574 8 R 5.1894 8.8621 120.3775 54.6681 34.2492 173.6312 9 L 5.3096 9.1282 126.6482 53.3804 45.7000 174.8760 10 I 5.1518 8.9339 127.1030 59.7036 40.2822 174.2467 11 Y 5.4568 8.6273 123.8684 55.5157 42.1633 173.8863 12 S 5.3535 9.3144 114.1977 56.9494 67.0227 172.8011 13 S 4.9707 8.9886 114.5958 57.7159 67.3175 172.4105 14 Q 4.8275 8.9063 119.5366 53.8269 30.1874 176.1939 15 G 4.3341 9.4249 113.5393 46.0586 0.0000 173.2828 16 I 4.2085 8.5941 116.0977 59.7791 39.0074 173.9457 17 P 4.2432 0.0000 0.0000 65.0029 31.6231 176.7306 *18 N 4.4905 8.9574 118.1388 52.8070 34.6720 172.4164 19 L 4.2447 7.3593 117.5993 56.1154 42.3641 177.0540 20 Q 4.7042 9.1190 122.0086 53.4435 31.4228 174.8050 21 P 4.2004 0.0000 0.0000 66.1651 31.1795 178.5454 22 Q 3.9436 8.0946 117.4861 59.4438 28.8618 177.9932 23 D 4.4140 8.1695 122.1732 58.1197 40.7891 179.5940 24 L 4.0363 7.9077 124.7005 59.8674 40.9305 181.9923 25 K 4.1870 7.9148 124.1482 59.7100 31.6214 181.4287 26 D 4.4967 8.4421 120.4746 57.2613 40.7683 178.7451 27 I 3.5929 7.8716 120.5368 64.3548 37.0848 178.1269 28 L 3.9475 8.1118 123.3771 58.8705 41.9172 179.4963 29 E 3.9874 8.2896 118.2304 61.2205 29.6034 181.0668 30 S 4.3063 8.1776 116.6170 61.4108 62.8618 177.0095 31 S 4.1086 8.1659 117.0099 61.6579 62.5370 176.6014 32 Q 4.0894 8.3034 121.0494 58.2598 28.4327 178.3300 33 R 4.0512 7.7068 119.5053 59.1823 30.4938 177.6557 34 N 4.5873 8.3191 115.9809 55.7004 38.8596 177.2449 35 N 4.3769 8.5144 118.3224 55.8073 38.6665 175.4475 36 P 4.2409 0.0000 0.0000 65.7062 31.2848 178.5340 37 A 4.0365 8.0215 118.3092 54.8758 18.4398 177.6790 38 N 4.6173 7.7618 110.4257 52.7357 38.8213 175.5419 39 G 3.9645 7.9035 106.0592 46.4179 0.0000 173.7230 40 I 4.5244 7.8869 120.9997 60.0982 38.3158 175.3548 41 T 5.2066 9.1104 113.1870 57.9582 72.0040 174.1515 42 G 4.2444 7.2981 106.3957 46.1464 0.0000 170.6131 43 L 4.8320 7.3706 120.5699 53.7166 45.9037 175.3241 44 L 5.1852 9.1496 128.0363 53.3244 45.0399 174.3224 45 C 5.3245 9.2758 126.4241 57.6938 34.7375 171.6606 46 Y 4.9783 9.2488 127.4651 56.1625 40.8344 174.0624 47 S 5.0058 8.2691 122.8846 54.2182 63.3917 171.3782 48 K 3.3019 7.0963 123.5379 55.0597 32.4099 173.9633 49 P 4.6573 0.0000 0.0000 62.8088 32.7515 174.8048 50 A 4.8911 7.8131 123.6202 51.3211 20.7359 176.5690 51 F 5.4622 8.9424 119.5745 55.8364 42.1687 174.7754 52 L 4.9977 8.9410 123.5182 53.4268 45.3155 174.9153 53 Q 4.9932 8.4288 126.7505 54.1205 33.1099 173.7634 54 V 4.9083 8.2794 124.5557 59.8415 34.2034 174.4114 55 L 5.2878 9.2028 123.5789 53.0340 45.3043 175.3358 56 E 5.1606 10.4416 121.9311 54.0200 33.9067 176.7300 57 G 4.0781 7.8609 108.7394 44.9048 0.0000 171.3106 58 E 4.5050 8.0676 119.4802 55.8594 31.5022 177.1870 59 C 3.4884 8.7291 126.2805 62.8670 31.4382 176.0166 60 E 3.8647 8.0526 119.8597 59.4453 29.1770 178.6864 61 Q 3.9759 7.9600 117.5877 58.7806 28.8446 178.4856 62 V 3.6301 8.2009 119.7382 66.1162 31.5340 177.8863 63 N 4.4340 8.3140 116.2327 56.2916 38.4070 176.9541 64 E 3.9412 8.4098 120.8505 59.5991 29.6589 179.0853 65 T 3.8172 8.1272 115.7192 66.7453 68.5050 175.8969 66 Y 3.9735 8.2761 121.7388 61.3296 38.5906 178.1951 67 H 3.8401 8.1357 115.2964 58.1984 29.0371 177.6360 68 R 3.9442 7.9189 120.9408 59.4541 29.9692 178.4536 69 I 3.5612 7.6555 119.6534 64.6002 36.8643 178.8109 70 V 3.3881 7.1891 111.9733 64.1887 31.3489 177.9547 71 Q 4.1950 7.5027 115.5068 55.8763 28.8996 175.7208 72 D 4.4233 7.6751 122.1321 53.8388 41.5503 176.6446 73 E 4.1890 8.7548 125.8211 58.3545 29.8437 177.6897 74 R 4.3452 8.5525 118.2264 57.0355 30.5898 175.3702 75 H 5.4123 7.9199 112.9088 54.6844 31.7747 171.5244 76 H 4.7998 8.8860 115.1615 54.5666 32.0064 172.7856 77 S 3.8232 8.7528 112.6968 58.9291 59.9284 171.6033 78 P 4.5953 0.0000 0.0000 63.0396 32.1985 176.2195 79 Q 4.5970 9.4884 120.0568 53.9535 31.6648 174.8804 80 I 3.9900 8.5053 125.9924 61.8130 37.0494 176.2839 81 I 4.1700 8.8691 128.9460 63.4634 38.2210 176.1871 82 E 4.7507 7.7602 120.4192 55.2146 33.1150 173.6706 83 C 5.3235 8.4557 126.0882 58.3035 34.5748 172.5429 84 M 4.4821 8.7381 121.8747 53.5006 34.4724 172.4493 85 P 4.0327 0.0000 0.0000 62.3520 32.1619 175.7502 86 I 4.5770 8.0822 115.2206 59.1893 40.2033 175.9615 87 R 4.0797 8.7341 122.5994 59.1224 30.2752 177.0782 88 R 4.5481 7.2327 110.2547 55.0825 31.7406 174.5320 89 R 4.4401 8.3101 118.0051 56.2715 30.8247 176.3106 90 N 4.6972 9.7562 115.8126 53.0781 40.7614 175.7515 91 F 4.6282 8.5684 117.3584 56.8684 39.4791 177.1839 92 E 4.1624 8.1119 119.9229 58.5710 29.4589 177.8891 93 V 3.8269 7.3126 111.5651 61.9249 32.3509 175.7105 94 W 5.1328 8.0026 121.0493 54.4826 31.4933 175.8512 95 S 4.3638 9.0362 118.7545 60.8845 63.1341 173.9774 96 M 4.9289 7.6462 116.0039 54.2979 34.9032 173.4677 97 Q 4.5929 8.3570 122.3033 53.8752 33.4409 173.9983 98 A 5.1722 8.2422 121.7237 50.2551 21.9387 175.4713 99 I 4.3383 8.7930 123.6350 59.4253 40.4573 174.6053 100 T 5.0014 8.4906 117.1921 60.2203 70.5803 174.0244 101 V 4.5334 8.7944 126.5456 61.1516 34.1224 173.6222 102 N 4.7989 8.9097 128.6844 53.3121 39.0841 175.3787 *103 D 4.4792 8.9132 118.3888 55.2066 40.2749 173.6195 104 L 4.6947 7.6065 116.5227 54.8775 42.0008 182.0756 105 S 4.5686 7.4142 114.1902 59.0762 63.6363 174.8446 106 T 4.1474 8.3890 120.7375 64.0192 70.1601 175.9125 *107 E 3.9313 8.8947 123.1282 61.7420 29.5911 180.3024 108 Q 4.1659 8.0336 119.6976 59.0656 29.2241 178.4486 109 V 3.7071 7.7701 118.7071 66.0888 31.8197 177.9211 110 K 4.0673 8.4128 118.4604 59.8971 31.7822 179.5020 111 T 3.9686 8.1092 116.1019 66.3323 68.2899 176.6173 112 L 4.0954 7.8667 122.0249 58.1807 42.0299 179.0998 113 V 3.7317 8.2356 118.3218 66.0900 31.2243 177.7941 114 L 4.0921 7.7665 118.8152 57.9752 42.0112 178.3285 115 K 3.8478 8.1768 118.9524 59.0831 32.0863 177.2596 116 Y 4.6681 7.4566 113.7669 57.9150 39.1263 174.7944 117 S 4.6008 7.7489 113.0559 57.0730 66.1116 173.8391 118 G 3.6067 8.5529 107.4702 46.8004 0.0000 172.8186 119 F 4.7881 7.4149 116.9038 56.4368 43.1109 174.0787 120 T 4.3287 8.7138 114.2229 62.7178 67.4854 174.0190 121 T 4.5202 7.5400 110.4758 60.0858 70.7311 173.8727 122 L 3.9034 7.8784 126.0983 55.0504 42.5434 176.9383 123 R 4.4477 8.1122 124.9571 53.1908 31.1031 173.8830 124 P 4.1937 0.0000 0.0000 65.5622 31.5930 178.8120 125 S 4.2548 8.1328 111.1709 59.9919 62.6913 174.2516 126 A 4.6427 7.7743 121.7710 51.9080 20.6956 176.3655 127 M 4.7627 7.8772 115.7763 53.6602 33.9537 176.3924 128 D 4.7232 8.8860 123.0478 52.0700 42.1626 175.8302 129 P 4.2247 0.0000 0.0000 65.8398 31.1959 178.5969 130 E 3.9934 8.2273 117.5746 59.1986 29.5663 178.7506 131 Q 4.0756 8.9036 118.5859 59.1325 28.8463 178.2082 132 C 4.0204 8.1696 117.8117 62.9393 28.1625 176.1510 133 L 4.0340 8.0058 121.4956 58.4262 41.6700 178.8042 134 N 4.3738 8.1554 116.3686 55.7864 38.4209 177.3642 135 F 3.5088 7.8770 122.4211 61.0189 39.5168 176.9933 136 L 3.8786 7.9597 118.5609 57.8610 41.3275 179.5570 137 L 3.9771 8.3374 119.0219 58.0148 41.2966 179.4429 138 D 4.3462 8.1998 118.8851 57.4207 40.6729 178.7469 139 I 3.7446 7.9548 119.3239 63.8366 37.6586 177.7042 140 A 4.3582 8.0174 121.0894 55.2153 18.3142 179.2230 141 K 4.1107 7.8269 117.6195 59.3868 32.3321 178.6518 142 I 4.0449 7.4213 111.2303 63.4924 37.9658 175.9829 143 Y 4.1622 7.9673 122.0157 58.0979 37.9379 175.1763 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 4 M 8.30 4.72 0.00 2.04 2.21 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 5 S 7.86 4.16 0.00 4.10 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 6 L 9.43 4.72 0.00 1.87 1.56 1.02 0.89 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 7 Y 9.47 5.12 0.00 3.02 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 8 R 8.86 5.19 0.00 1.88 1.70 0.00 3.14 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 9 L 9.13 5.31 0.00 1.72 1.46 0.46 1.09 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 10 I 8.93 5.15 1.87 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.62 0.90 0.00 0.00 11 Y 8.63 5.46 0.00 3.20 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 12 S 9.31 5.35 0.00 3.98 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 13 S 8.99 4.97 0.00 4.13 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 14 Q 8.91 4.83 0.00 1.56 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.42 0.00 15 G 9.42 4.33 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 0.00 16 I 8.59 4.21 1.93 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.86 1.05 0.00 0.00 17 P 0.00 4.24 0.00 2.08 2.05 0.00 3.77 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 2.05 2.12 0.00 *18 N 8.96 4.49 0.00 2.93 2.87 0.00 0.00 6.81 7.79 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 19 L 7.36 4.24 0.00 1.67 1.51 0.91 0.86 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 20 Q 9.12 4.70 0.00 2.10 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.68 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 21 P 0.00 4.20 0.00 2.15 2.14 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 22 Q 8.09 3.94 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.88 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 23 D 8.17 4.41 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 24 L 7.91 4.04 0.00 1.65 1.67 0.92 0.94 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 25 K 7.91 4.19 0.00 1.79 1.85 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.35 7.81 26 D 8.44 4.50 0.00 2.83 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 27 I 7.87 3.59 1.92 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.64 0.73 0.00 0.00 28 L 8.11 3.95 0.00 1.86 1.62 0.90 0.92 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 29 E 8.29 3.99 0.00 2.01 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 2.22 0.00 30 S 8.18 4.31 0.00 3.95 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 31 S 8.17 4.11 0.00 4.04 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.30 4.09 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 33 R 7.71 4.05 0.00 1.82 2.18 0.00 3.24 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 34 N 8.32 4.59 0.00 2.77 2.83 0.00 0.00 7.04 6.43 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 35 N 8.51 4.38 0.00 2.92 3.12 0.00 0.00 7.01 7.59 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 36 P 0.00 4.24 0.00 2.17 2.13 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 37 A 8.02 4.04 1.29 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 38 N 7.76 4.62 0.00 2.88 2.87 0.00 0.00 6.99 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 39 G 7.90 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 40 I 7.89 4.52 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.47 0.96 0.00 0.00 41 T 9.11 5.21 4.72 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 1.33 0.00 0.00 42 G 7.30 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 0.00 0.00 0.00 0.00 43 L 7.37 4.83 0.00 1.86 1.11 0.84 0.56 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 44 L 9.15 5.19 0.00 1.67 1.58 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 45 C 9.28 5.32 0.00 3.03 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 46 Y 9.25 4.98 0.00 3.09 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.27 5.01 0.00 3.74 3.48 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 0.00 0.00 0.00 0.00 48 K 7.10 3.30 0.00 1.45 1.44 0.00 1.64 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.42 7.81 49 P 0.00 4.66 0.00 2.13 2.21 0.00 3.60 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.91 0.00 50 A 7.81 4.89 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.94 5.46 0.00 3.21 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 52 L 8.94 5.00 0.00 1.67 1.46 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.43 4.99 0.00 1.86 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 54 V 8.28 4.91 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 -0.18 0.00 0.00 0.82 0.00 0.00 55 L 9.20 5.29 0.00 1.61 1.63 1.12 0.86 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 56 E 10.44 5.16 0.00 1.96 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 2.33 2.34 0.00 57 G 7.86 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.07 4.51 0.00 2.07 1.84 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 2.38 2.52 0.00 59 C 8.73 3.49 0.00 2.49 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 60 E 8.05 3.86 0.00 2.03 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 2.36 2.38 0.00 61 Q 7.96 3.98 0.00 2.35 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.68 0.00 0.00 0.00 0.00 0.00 2.61 2.48 0.00 62 V 8.20 3.63 2.23 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 1.19 0.00 0.00 1.07 0.00 0.00 63 N 8.31 4.43 0.00 2.95 2.91 0.00 0.00 6.70 7.18 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 64 E 8.41 3.94 0.00 2.09 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 0.00 2.30 2.50 0.00 65 T 8.13 3.82 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 1.24 0.00 0.00 66 Y 8.28 3.97 0.00 2.96 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 67 H 8.14 3.84 0.00 3.13 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.92 3.94 0.00 1.92 2.10 0.00 3.07 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 69 I 7.66 3.56 1.72 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.65 0.78 0.00 0.00 70 V 7.19 3.39 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 -0.23 0.00 0.00 0.76 0.00 0.00 71 Q 7.50 4.19 0.00 2.12 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 72 D 7.68 4.42 0.00 2.70 2.50 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 0.00 73 E 8.75 4.19 0.00 2.00 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 2.31 2.32 0.00 74 R 8.55 4.35 0.00 1.94 1.99 0.00 3.08 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.55 0.00 75 H 7.92 5.41 0.00 3.50 3.48 0.00 5.54 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 H 8.89 4.80 0.00 3.25 3.44 0.00 5.41 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.75 3.82 0.00 4.06 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 78 P 0.00 4.60 0.00 2.25 1.94 0.00 3.70 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.88 0.00 79 Q 9.49 4.60 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.03 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 80 I 8.51 3.99 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.44 0.81 0.00 0.00 81 I 8.87 4.17 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.73 0.92 0.00 0.00 82 E 7.76 4.75 0.00 2.01 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 0.00 2.27 2.29 0.00 83 C 8.46 5.32 0.00 2.93 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 84 M 8.74 4.48 0.00 2.01 1.93 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 85 P 0.00 4.03 0.00 1.76 1.81 0.00 3.35 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.86 0.00 86 I 8.08 4.58 1.85 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 1.11 0.66 0.86 0.00 0.00 87 R 8.73 4.08 0.00 1.80 2.01 0.00 3.39 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 88 R 7.23 4.55 0.00 1.84 1.83 0.00 2.98 0.00 0.00 3.18 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.59 0.00 89 R 8.31 4.44 0.00 1.82 2.14 0.00 3.18 0.00 0.00 3.40 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 90 N 9.76 4.70 0.00 2.17 2.14 0.00 0.00 6.80 7.95 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 91 F 8.57 4.63 0.00 3.32 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 92 E 8.11 4.16 0.00 2.06 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 2.19 2.22 0.00 93 V 7.31 3.83 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 0.54 0.00 0.00 -0.04 0.00 0.00 94 W 8.00 5.13 0.00 3.52 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 95 S 9.04 4.36 0.00 3.95 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 96 M 7.65 4.93 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.56 0.00 97 Q 8.36 4.59 0.00 1.21 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 1.26 1.16 0.00 98 A 8.24 5.17 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 99 I 8.79 4.34 1.62 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.31 0.18 0.00 0.00 100 T 8.49 5.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 101 V 8.79 4.53 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 1.10 0.00 0.00 1.05 0.00 0.00 102 N 8.91 4.80 0.00 2.87 2.77 0.00 0.00 6.69 7.40 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 *103 D 8.91 4.48 0.00 2.72 2.61 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 0.00 104 L 7.61 4.69 0.00 1.63 1.55 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.41 4.57 0.00 4.05 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 0.00 106 T 8.39 4.15 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 1.22 0.00 0.00 *107 E 8.89 3.93 0.00 1.97 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 1.97 0.00 108 Q 8.03 4.17 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.89 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 109 V 7.77 3.71 2.31 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 1.20 0.00 0.00 1.11 0.00 0.00 110 K 8.41 4.07 0.00 2.01 1.90 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.51 1.70 7.81 111 T 8.11 3.97 4.44 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 1.23 0.00 0.00 112 L 7.87 4.10 0.00 2.13 2.05 0.87 1.40 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 0.00 113 V 8.24 3.73 2.31 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 0.93 0.00 0.00 1.18 0.00 0.00 114 L 7.77 4.09 0.00 1.91 1.86 0.91 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.18 3.85 0.00 1.79 1.90 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.73 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.63 1.20 7.81 116 Y 7.46 4.67 0.00 3.20 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.75 4.60 0.00 3.90 3.80 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 0.00 118 G 8.55 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 0.00 119 F 7.41 4.79 0.00 2.97 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 0.00 120 T 8.71 4.33 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 0.00 121 T 7.54 4.52 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 1.17 0.00 0.00 122 L 7.88 3.90 0.00 1.46 1.49 0.10 0.78 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 0.00 123 R 8.11 4.45 0.00 1.85 1.78 0.00 3.17 0.00 0.00 3.27 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.79 0.00 124 P 0.00 4.19 0.00 2.15 2.07 0.00 3.55 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 2.08 2.04 0.00 125 S 8.13 4.25 0.00 3.86 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 0.00 126 A 7.77 4.64 1.31 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 0.00 0.00 127 M 7.88 4.76 0.00 1.99 1.95 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.62 0.00 128 D 8.89 4.72 0.00 2.92 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 0.00 129 P 0.00 4.22 0.00 2.22 2.22 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.32 0.00 130 E 8.23 3.99 0.00 2.06 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 2.42 2.43 0.00 131 Q 8.90 4.08 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.53 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 132 C 8.17 4.02 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.01 4.03 0.00 1.81 1.70 1.14 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 134 N 8.16 4.37 0.00 2.93 2.92 0.00 0.00 6.70 8.19 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 0.00 135 F 7.88 3.51 0.00 2.52 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 0.00 136 L 7.96 3.88 0.00 2.08 1.83 0.86 0.65 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 0.00 137 L 8.34 3.98 0.00 1.80 1.64 0.95 0.53 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 0.00 138 D 8.20 4.35 0.00 2.81 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 0.00 139 I 7.95 3.74 1.16 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.42 0.64 0.00 0.00 140 A 8.02 4.36 1.79 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 0.00 0.00 141 K 7.83 4.11 0.00 1.90 2.09 0.00 1.79 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.45 7.81 142 I 7.42 4.04 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.02 1.01 0.00 0.00 143 Y 7.97 4.16 0.00 3.06 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 * Residues marked with a * may have inaccurate shift predictions.