NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 H 4.8217 8.4293 117.8294 54.9736 28.9836 172.5641 13 P 4.1777 0.0000 0.0000 61.3157 32.1011 171.2844 14 V 3.9640 8.9330 121.6354 62.0992 32.6555 176.9022 15 L 4.2000 8.3790 127.1935 55.1466 42.3416 176.2106 16 L 4.2391 7.4332 119.0844 52.9259 42.9754 175.5978 17 N 4.5922 8.1299 127.2034 51.5094 37.5715 174.8886 18 L 3.8820 7.9558 123.2570 57.6003 42.1333 179.8171 19 E 4.1311 8.2592 115.5893 58.9221 29.4395 177.8392 20 Q 4.5608 8.2198 115.1224 55.1945 29.6947 175.5042 21 F 4.7265 8.5499 122.4504 56.8100 39.9159 175.4971 22 L 3.8384 8.3273 128.5602 58.2107 41.7962 176.9363 23 P 4.1685 0.0000 0.0000 65.6710 31.1474 178.0422 24 Y 4.1780 8.0015 117.7010 60.8769 38.9561 177.6197 25 R 3.8657 8.2925 119.1766 59.2706 30.1033 178.8739 26 L 3.8993 8.2873 120.3464 58.0507 42.0775 178.8435 27 S 4.0196 8.0098 113.0852 61.3776 62.2897 176.3010 28 V 3.3821 7.8010 121.1961 65.8432 31.1559 177.6537 29 L 3.8825 7.7551 120.0594 58.1992 41.8356 178.8500 30 S 4.0774 8.2599 113.1829 61.5437 62.2684 175.9045 31 N 4.3421 8.3369 119.2520 56.3770 38.2382 177.7122 32 R 3.9122 8.2293 119.6416 59.0882 30.1655 179.0938 33 I 3.6763 8.0096 119.8766 64.6583 37.0892 178.7015 34 S 4.3333 8.4307 116.2575 61.5504 62.3876 177.0736 35 G 3.5760 8.1374 107.8841 47.8161 0.0000 175.2858 36 N 4.4602 8.2079 118.8447 56.1165 38.5988 177.6831 37 I 3.6421 7.8800 121.1153 64.0527 37.1043 178.2052 38 A 2.7210 8.0928 121.7474 54.0503 18.0675 179.4761 39 K 3.6674 7.4551 118.7097 59.0437 32.2536 179.0396 40 V 3.4121 7.2751 118.9785 65.9762 31.6248 177.2517 41 Y 4.5852 6.9320 115.7958 58.4497 38.4245 177.6389 42 G 3.5252 7.6772 108.7276 47.8113 0.0000 175.6045 43 D 4.2773 7.7897 120.2822 57.3035 41.0341 178.9242 44 R 3.8557 7.5729 116.5451 58.4863 30.0730 177.0617 45 Y 4.6402 7.7849 112.1524 56.1805 40.1404 173.9169 46 G 3.6683 8.0740 112.2587 45.5587 0.0000 173.6643 *48 A 4.3033 7.7834 126.4778 51.1924 21.2282 176.5999 49 I 4.4013 8.7089 123.5240 63.6627 37.2938 177.0394 50 P 4.3324 0.0000 0.0000 65.9527 30.9880 178.1995 51 E 3.9419 8.1740 117.8014 58.9029 29.4521 178.8355 52 W 3.9592 8.0083 128.3608 60.3410 30.6239 177.7788 53 R 3.5240 7.9439 118.5880 59.4078 29.3941 178.5040 54 V 3.4510 7.6730 117.7802 65.9796 31.4512 177.8904 55 I 3.4195 7.4202 119.6459 64.6194 36.6714 178.5561 56 T 3.3531 7.0863 110.3332 64.4047 68.3680 176.7240 57 I 3.6616 7.3675 122.6432 64.2710 37.0397 178.4063 58 L 4.1582 7.7140 118.1916 57.3657 41.3812 179.1891 59 A 3.7069 7.3574 120.4565 54.7859 18.1869 179.0422 60 L 3.8467 6.9504 117.4393 56.4672 43.1515 176.5827 61 Y 4.7939 7.9527 116.5042 54.6624 38.3781 172.4172 62 P 4.2353 0.0000 0.0000 63.8623 32.2798 177.2467 63 G 3.9827 8.9659 110.7872 45.2287 0.0000 174.3401 64 S 4.4131 7.2999 115.4758 58.6789 63.5169 174.7488 65 S 4.7369 9.2782 119.2673 56.9443 65.9617 175.3809 66 A 3.9768 8.3137 123.1260 55.5042 18.0377 179.9616 67 S 4.0927 8.0036 113.0976 61.8458 62.9588 176.6811 68 E 3.9621 8.0506 121.0423 59.1245 29.1576 179.5724 69 V 3.5495 7.8194 118.3892 66.0641 31.1880 178.1787 70 S 4.1196 8.0489 114.8041 61.8861 62.4890 176.5110 71 D 4.3601 7.8069 120.1030 57.3337 40.5881 178.6272 72 R 4.0091 7.6880 118.1719 59.2204 30.2572 177.9777 73 T 4.2865 7.9006 106.9666 60.5881 70.3879 172.6086 74 A 3.3544 8.0399 127.4908 52.3757 15.8268 175.3820 *76 D 4.3729 7.8298 117.9172 53.5830 43.3504 175.1564 77 K 3.9475 8.6238 127.3938 59.1388 32.1239 179.4524 78 V 3.6019 7.8730 117.5301 65.8006 31.5389 177.8266 79 A 4.0139 8.0750 120.4720 54.9992 18.1642 179.8489 80 V 3.5304 7.7974 116.8258 66.0573 31.5963 178.1422 81 S 4.0810 8.1858 112.9348 61.6704 62.2463 176.4787 82 R 3.9357 8.2246 120.4442 59.0114 29.6848 178.9721 83 A 4.0113 8.0321 120.7840 55.1591 18.3850 179.8367 84 V 3.5125 8.2781 117.0316 65.9080 31.5375 178.0427 85 A 3.9895 8.1927 120.5834 55.3138 18.2639 179.7710 86 R 3.9082 8.1151 116.4848 59.5842 30.1674 179.4153 87 L 4.2543 8.2346 118.7544 57.5881 41.5582 179.7145 88 L 4.1320 8.1467 119.1332 57.9312 41.4255 179.0919 89 E 3.9681 8.0356 117.1170 59.5470 29.5639 179.1005 90 R 4.1229 7.8381 114.8573 55.9651 30.3470 177.3764 91 G 3.8037 7.6831 106.8928 46.0760 0.0000 174.8811 92 F 4.6861 8.1224 120.8623 58.8924 39.3379 175.2940 93 I 5.3940 7.5017 112.0333 59.2435 41.0694 174.5614 94 R 4.7400 8.9774 118.3455 54.7927 33.2648 174.9393 95 R 4.5270 8.3606 119.8061 54.8251 31.6802 176.7024 *105 S 4.1041 7.8951 111.9924 58.3068 63.9183 173.5471 *107 L 4.4080 7.2756 119.7719 55.5543 43.8285 177.5959 108 A 4.9257 8.4167 122.1313 50.2037 23.0702 175.6703 109 L 4.5838 8.4188 120.2514 54.7610 42.7531 177.4870 110 S 4.5998 8.8053 117.7911 56.4625 64.9307 173.3373 111 P 4.3350 0.0000 0.0000 65.7268 30.7916 178.8554 112 A 4.1895 8.0780 119.2273 55.1974 18.4450 179.7720 113 G 3.6268 8.1835 104.3200 47.9108 0.0000 175.8992 114 R 3.9563 8.5497 121.5029 59.3146 30.0859 178.4655 115 Q 4.0075 8.1487 119.5149 58.8988 28.9811 178.3114 116 V 3.2179 7.7358 119.4668 65.9038 31.4171 177.2610 117 Y 4.4169 7.9661 119.2033 61.1439 38.4697 178.1666 118 E 3.8656 8.3901 117.8048 59.1738 29.5245 179.1490 119 T 4.1815 7.6933 115.3420 66.1798 69.1427 176.9817 120 V 3.6598 8.2621 120.2651 65.6474 31.5253 177.5570 121 A 4.1061 8.1473 120.9108 55.1383 18.1155 177.8081 122 P 4.1647 0.0000 0.0000 65.8070 31.1894 178.8867 123 L 4.0006 7.7284 116.3315 57.6429 41.6644 179.2173 124 V 3.7117 7.6189 117.5774 65.8206 31.7359 177.5591 125 N 4.5675 8.5109 116.6654 56.2733 38.5373 178.6223 126 E 3.8724 8.0464 118.2303 56.6847 29.2937 178.6076 *128 E 4.2880 8.2223 122.1807 56.3794 31.5453 177.7805 129 Q 4.1416 7.9944 117.0759 58.8997 28.9767 177.9321 130 R 4.0064 7.8169 116.0944 59.1785 29.9606 178.4854 131 L 3.9730 7.4705 115.1245 55.8130 39.8547 178.3258 *133 S 4.1812 8.0290 112.2779 57.5563 64.6317 175.6926 134 V 3.5348 7.0625 113.3633 62.9088 31.4866 175.9839 135 F 5.4038 7.0445 116.8260 55.8489 41.3084 175.7529 136 S 4.7014 8.5497 117.6312 56.9262 65.9479 175.0610 137 A 4.0354 8.5172 123.6607 55.5479 17.9641 179.7358 138 E 3.9260 8.1137 115.4051 59.6437 29.7203 179.0960 139 E 3.8192 8.0461 119.2595 58.9738 29.4891 179.0384 140 Q 3.7772 8.1638 119.7247 59.0035 29.1031 178.0158 141 Q 4.0887 7.9694 120.5391 59.5204 29.0900 178.3834 142 T 3.7783 7.8270 116.6237 66.5225 68.4729 176.1975 143 L 3.8263 7.7564 122.0946 58.3753 42.1099 178.9798 144 E 3.9683 8.2247 118.3259 59.2284 29.2905 179.4059 145 R 3.9006 8.0288 119.0433 59.3332 30.1143 178.6148 146 L 4.0025 8.0729 118.9234 57.7063 41.6384 179.4698 147 I 3.6895 7.9136 119.8734 64.3849 36.9620 178.1037 148 D 4.3559 8.1252 119.6931 57.4558 40.6078 178.8946 149 R 3.8637 7.9365 119.0784 59.3316 30.1740 178.2515 150 L 3.8941 8.1452 120.0117 58.0863 41.8376 178.9047 151 A 4.0011 7.8569 119.7369 54.9624 18.4326 179.5654 152 K 4.0723 8.2743 116.3257 59.3078 32.3655 178.5155 153 D 4.8583 8.1020 116.9878 55.2823 42.3647 178.9749 154 G 3.6961 7.8761 105.8975 47.6910 0.0000 175.4064 155 L 3.9862 7.5097 120.6332 57.0269 41.8465 177.8855 156 P 4.4359 0.0000 0.0000 65.4071 31.1177 177.4438 157 R 4.0574 7.4911 116.3919 56.3745 29.5722 176.3734 *159 A 4.1171 8.0678 126.5708 52.5341 18.8717 177.4354 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 12 H 8.43 4.82 0.00 3.16 3.31 0.00 5.67 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 13 P 0.00 4.18 0.00 2.24 2.04 0.00 3.78 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 14 V 8.93 3.96 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 0.78 0.00 0.00 0.90 0.00 0.00 15 L 8.38 4.20 0.00 1.60 1.64 0.89 0.92 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 16 L 7.43 4.24 0.00 1.28 1.29 -0.04 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17 N 8.13 4.59 0.00 2.81 2.71 0.00 0.00 7.07 6.66 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 18 L 7.96 3.88 0.00 1.36 0.72 0.43 0.57 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 19 E 8.26 4.13 0.00 2.00 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 0.00 2.34 2.34 0.00 20 Q 8.22 4.56 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 21 F 8.55 4.73 0.00 3.22 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 22 L 8.33 3.84 0.00 1.59 1.43 0.83 0.95 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 23 P 0.00 4.17 0.00 2.05 2.02 0.00 2.20 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.83 0.00 24 Y 8.00 4.18 0.00 3.32 3.45 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 25 R 8.29 3.87 0.00 2.03 1.99 0.00 3.62 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.87 0.00 26 L 8.29 3.90 0.00 1.76 1.76 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 27 S 8.01 4.02 0.00 4.04 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 28 V 7.80 3.38 1.78 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 0.88 0.00 0.00 0.13 0.00 0.00 29 L 7.76 3.88 0.00 1.79 1.81 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.26 4.08 0.00 3.96 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 31 N 8.34 4.34 0.00 2.90 2.84 0.00 0.00 7.07 7.23 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 32 R 8.23 3.91 0.00 1.96 1.95 0.00 3.10 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 33 I 8.01 3.68 2.03 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 1.52 0.89 0.94 0.00 0.00 34 S 8.43 4.33 0.00 4.03 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 35 G 8.14 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.21 4.46 0.00 2.91 2.82 0.00 0.00 7.01 7.46 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 37 I 7.88 3.64 2.04 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.01 0.98 0.00 0.00 38 A 8.09 2.72 1.23 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 0.00 0.00 0.00 39 K 7.46 3.67 0.00 1.65 1.73 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.34 7.81 40 V 7.28 3.41 1.95 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 0.87 0.00 0.00 0.82 0.00 0.00 41 Y 6.93 4.59 0.00 3.22 2.88 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 0.00 0.00 0.00 42 G 7.68 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 43 D 7.79 4.28 0.00 2.69 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 R 7.57 3.86 0.00 1.74 1.21 0.00 3.09 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 45 Y 7.78 4.64 0.00 2.93 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 46 G 8.07 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 *48 A 7.78 4.30 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 49 I 8.71 4.40 1.99 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 2.01 1.06 0.00 0.00 50 P 0.00 4.33 0.00 2.29 2.35 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 2.14 2.11 0.00 51 E 8.17 3.94 0.00 2.30 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 2.46 2.42 0.00 52 W 8.01 3.96 0.00 1.96 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 53 R 7.94 3.52 0.00 1.98 2.04 0.00 3.15 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 54 V 7.67 3.45 2.15 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 0.98 0.00 0.00 0.96 0.00 0.00 55 I 7.42 3.42 1.48 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.51 0.61 0.00 0.00 56 T 7.09 3.35 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 -0.09 0.00 0.00 57 I 7.37 3.66 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 1.62 0.71 0.96 0.00 0.00 58 L 7.71 4.16 0.00 1.42 1.61 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.36 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 6.95 3.85 0.00 1.22 1.25 0.59 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 7.95 4.79 0.00 2.92 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 62 P 0.00 4.24 0.00 2.02 1.95 0.00 3.67 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.14 0.00 63 G 8.97 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 0.00 0.00 0.00 64 S 7.30 4.41 0.00 3.88 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 65 S 9.28 4.74 0.00 3.97 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 66 A 8.31 3.98 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 67 S 8.00 4.09 0.00 3.86 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 68 E 8.05 3.96 0.00 2.24 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 2.28 2.28 0.00 69 V 7.82 3.55 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 1.00 0.00 0.00 0.93 0.00 0.00 70 S 8.05 4.12 0.00 4.06 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 71 D 7.81 4.36 0.00 2.63 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 72 R 7.69 4.01 0.00 1.84 2.08 0.00 3.30 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 73 T 7.90 4.29 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 1.21 0.00 0.00 74 A 8.04 3.35 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 *76 D 7.83 4.37 0.00 2.84 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 77 K 8.62 3.95 0.00 1.80 1.86 0.00 2.01 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.32 7.81 78 V 7.87 3.60 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 1.06 0.00 0.00 0.94 0.00 0.00 79 A 8.08 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.80 3.53 2.21 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 1.07 0.00 0.00 1.00 0.00 0.00 81 S 8.19 4.08 0.00 3.99 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 82 R 8.22 3.94 0.00 1.92 1.98 0.00 3.20 0.00 0.00 3.19 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 83 A 8.03 4.01 1.42 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 0.00 0.00 84 V 8.28 3.51 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 1.00 0.00 0.00 0.94 0.00 0.00 85 A 8.19 3.99 1.42 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 0.00 0.00 86 R 8.12 3.91 0.00 2.07 2.07 0.00 3.33 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.00 0.00 87 L 8.23 4.25 0.00 1.88 1.83 0.94 0.64 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 88 L 8.15 4.13 0.00 1.88 1.71 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.04 3.97 0.00 2.21 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 2.35 2.52 0.00 90 R 7.84 4.12 0.00 1.63 1.48 0.00 3.34 0.00 0.00 3.45 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 91 G 7.68 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 0.00 0.00 0.00 92 F 8.12 4.69 0.00 3.24 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 93 I 7.50 5.39 1.96 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 1.50 0.67 0.92 0.00 0.00 94 R 8.98 4.74 0.00 1.81 2.00 0.00 2.76 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 95 R 8.36 4.53 0.00 1.72 1.93 0.00 3.23 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 *105 S 7.90 4.10 0.00 3.99 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 *107 L 7.28 4.41 0.00 1.73 1.64 0.90 0.88 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 0.00 108 A 8.42 4.93 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 0.00 109 L 8.42 4.58 0.00 1.48 1.57 0.65 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 110 S 8.81 4.60 0.00 4.02 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 0.00 111 P 0.00 4.34 0.00 2.20 2.18 0.00 3.61 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 2.13 2.18 0.00 112 A 8.08 4.19 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.18 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 0.00 114 R 8.55 3.96 0.00 2.06 2.10 0.00 3.11 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 115 Q 8.15 4.01 0.00 2.42 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 116 V 7.74 3.22 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 0.36 0.00 0.00 0.04 0.00 0.00 117 Y 7.97 4.42 0.00 3.00 3.14 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 0.00 118 E 8.39 3.87 0.00 2.02 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 2.43 2.74 0.00 119 T 7.69 4.18 4.57 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 1.31 0.00 0.00 120 V 8.26 3.66 1.91 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 0.19 0.00 0.00 1.03 0.00 0.00 121 A 8.15 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.16 0.00 2.14 2.08 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.11 0.00 123 L 7.73 4.00 0.00 1.70 1.67 0.88 0.89 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 0.00 124 V 7.62 3.71 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.83 0.00 0.00 125 N 8.51 4.57 0.00 3.01 2.85 0.00 0.00 7.02 7.44 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 0.00 126 E 8.05 3.87 0.00 2.13 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 2.32 2.60 0.00 *128 E 8.22 4.29 0.00 2.14 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 2.30 2.33 0.00 129 Q 7.99 4.14 0.00 2.28 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.75 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 130 R 7.82 4.01 0.00 1.81 1.96 0.00 3.14 0.00 0.00 3.12 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 131 L 7.47 3.97 0.00 1.73 1.81 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 *133 S 8.03 4.18 0.00 4.04 4.27 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.06 3.53 1.78 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 0.51 0.00 0.00 0.14 0.00 0.00 135 F 7.04 5.40 0.00 3.05 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 0.00 136 S 8.55 4.70 0.00 4.11 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 0.00 137 A 8.52 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.11 3.93 0.00 2.23 2.21 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 2.36 2.46 0.00 139 E 8.05 3.82 0.00 2.16 1.65 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 2.28 2.31 0.00 140 Q 8.16 3.78 0.00 2.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 141 Q 7.97 4.09 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 142 T 7.83 3.78 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 1.13 0.00 0.00 143 L 7.76 3.83 0.00 1.41 1.67 0.89 0.96 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 0.00 144 E 8.22 3.97 0.00 2.17 1.98 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 2.33 2.59 0.00 145 R 8.03 3.90 0.00 1.96 2.06 0.00 3.07 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 146 L 8.07 4.00 0.00 1.70 1.67 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.91 3.69 1.86 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 1.81 1.19 0.91 0.00 0.00 148 D 8.13 4.36 0.00 2.92 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 0.00 149 R 7.94 3.86 0.00 1.92 2.09 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 150 L 8.15 3.89 0.00 1.95 1.78 0.89 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 151 A 7.86 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 152 K 8.27 4.07 0.00 1.77 1.87 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.61 7.81 153 D 8.10 4.86 0.00 2.61 2.69 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 0.00 154 G 7.88 3.70 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 0.00 0.00 0.00 155 L 7.51 3.99 0.00 1.77 1.75 0.92 0.96 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 0.00 156 P 0.00 4.44 0.00 2.21 2.19 0.00 3.66 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 2.18 2.19 0.00 157 R 7.49 4.06 0.00 2.04 1.99 0.00 3.35 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 *159 A 8.07 4.12 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 * Residues marked with a * may have inaccurate shift predictions.