NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4513 8.1927 115.4143 57.8216 64.7063 174.1878 3 V 3.3783 8.1760 119.0564 65.2973 31.1685 175.7580 4 Y 4.0421 8.8267 120.1969 60.7632 38.6801 177.2661 5 D 4.2359 8.1715 119.4091 57.3829 40.7381 178.6737 6 A 3.9842 7.6778 119.6125 54.8145 18.6115 179.3956 7 A 3.8969 8.0187 119.1251 55.2045 18.4594 179.6640 8 A 3.7901 7.8761 117.7999 54.4062 18.3482 179.0672 9 Q 4.2884 7.3222 114.0121 57.1082 29.1581 175.4643 10 L 3.8026 7.4921 120.4559 55.1511 41.3326 177.6231 11 T 4.1952 8.1179 114.7377 60.6484 71.2361 174.9605 12 A 3.9317 8.4135 122.4700 55.5534 18.2432 179.6414 13 D 4.2727 7.9313 116.8624 57.3676 40.9414 178.9894 14 V 3.5047 7.3971 117.6052 65.8894 31.4594 178.2844 15 K 3.8348 8.2821 118.6317 59.0921 31.7236 179.2827 16 K 3.9329 8.0083 120.0020 59.7206 32.1760 178.6964 17 D 4.5515 8.1251 119.1543 57.2401 40.6452 178.8305 18 L 3.7395 8.0312 119.6677 57.8548 41.6234 179.8130 19 R 4.0836 8.2151 118.1613 59.3212 28.6682 178.8860 20 D 4.4700 8.5865 119.3184 57.4902 40.8737 179.0460 21 S 3.2095 8.1982 114.7881 60.6885 63.0132 176.3133 22 W 4.3163 8.6599 132.0081 60.0262 30.1905 177.9289 23 K 3.8578 7.8875 118.0900 59.3823 31.7958 178.9130 24 V 3.7691 7.1794 115.9124 65.6888 31.8315 178.2277 25 I 3.6382 7.7288 112.9587 63.5578 37.1876 177.5798 26 G 2.0558 6.9605 105.4472 44.8750 0.0000 175.0774 27 S 4.2813 7.1884 115.6862 59.2575 64.7383 173.9614 28 D 4.6743 7.1351 121.2112 51.2353 41.0448 175.5093 29 K 3.7932 7.9464 123.0303 58.6483 32.5466 178.4350 30 K 4.0047 7.9648 119.5298 59.4041 32.4248 178.9961 31 G 3.5082 8.2729 105.8782 48.0802 0.0000 175.4491 32 N 4.5022 8.3872 119.6016 55.1912 38.6181 178.0356 33 G 3.4956 8.1700 107.7147 47.7794 0.0000 176.0924 34 V 3.5989 7.7478 120.6072 65.4127 31.5234 177.9618 35 A 4.0253 7.7618 121.6852 54.4002 18.2030 179.5554 36 L 3.7880 7.8941 117.4177 58.2040 41.7479 179.7320 37 M 3.4870 7.6951 118.4828 58.4166 31.3494 178.9909 38 T 3.9867 8.0995 110.2918 65.1587 68.8128 176.6823 39 T 3.8748 7.8636 118.5809 66.0833 68.3665 176.4902 40 L 3.8180 7.6013 122.3277 58.2444 41.8512 179.1756 41 F 4.5145 7.4876 116.1663 60.2214 38.8430 177.3502 42 A 4.1952 7.7987 120.1504 54.9509 18.3973 178.7783 43 D 4.6562 8.1184 115.4368 54.9271 42.9079 176.7931 44 N 5.2590 8.1107 115.7770 49.4179 39.1906 174.9449 45 Q 4.2494 8.1250 120.0787 58.7214 29.4409 178.0373 46 E 4.1851 8.2856 117.7529 58.3553 29.8182 178.0460 47 T 4.5759 8.2107 110.4951 62.9398 69.4727 176.5363 48 I 3.7653 7.8098 123.6391 64.7382 36.9173 178.1090 49 G 3.6516 8.0479 104.6663 48.1061 0.0000 174.8157 50 Y 4.4039 7.7303 117.5447 59.7887 38.1034 176.5195 51 F 4.9293 8.2784 119.2254 56.7546 40.0130 178.1132 52 K 4.0285 8.1882 122.5009 59.7318 32.5623 178.8171 53 R 3.9628 7.9854 118.9143 58.9941 30.1091 177.0056 54 L 4.2370 7.9750 116.1030 55.0429 42.7000 179.0854 55 G 3.7639 7.6335 106.2536 45.8408 0.0000 175.4009 56 D 4.4650 8.3862 122.3052 53.5091 39.9162 177.3922 57 V 3.8639 7.9570 119.7475 62.5939 31.7631 178.2160 58 S 4.3612 8.2371 114.3024 59.7251 63.3372 175.2284 59 Q 4.1381 8.1825 120.3525 56.3331 29.9662 177.3500 60 G 3.8483 7.6098 107.8148 46.2166 0.0000 176.0906 61 M 3.9262 9.0101 120.8036 58.4763 32.0847 177.3788 62 A 3.9919 7.6135 120.8745 54.5618 18.8246 177.3454 63 N 4.5159 8.3311 115.2196 53.1879 39.2951 175.1628 64 D 4.3685 8.6850 129.6578 56.6298 39.5504 178.5776 65 K 4.0079 8.1181 119.4268 59.0474 32.0626 178.9718 66 L 4.0630 8.5210 120.8792 57.9816 41.9996 178.9963 67 R 4.0029 8.3760 119.0807 59.3963 30.1927 178.7413 68 G 3.6550 8.4468 105.9059 47.9957 0.0000 175.1884 69 H 4.2318 8.4041 120.6086 59.2157 29.7418 177.5636 70 S 4.0749 8.2630 116.0367 61.6212 62.8118 176.5319 71 I 3.9215 7.9734 122.4541 64.8266 37.0380 178.6500 72 T 4.0818 7.9199 116.2653 66.5529 68.3524 176.3917 73 L 3.8788 8.1334 122.4602 58.4589 42.0654 179.0296 74 M 4.2323 7.9375 118.3159 58.2729 31.8453 178.0212 75 Y 4.0602 7.9415 116.0529 60.0501 38.0906 177.7284 76 A 3.7543 7.6243 122.0003 54.8400 18.2555 179.6589 77 L 3.5126 7.3764 117.0516 57.5606 41.6936 179.1900 78 Q 3.6401 7.8854 119.6468 58.9380 28.7379 177.8451 79 N 4.3138 7.8625 116.9732 56.8051 39.4664 176.3375 80 F 4.6549 7.7094 118.9884 60.9560 38.9292 177.7131 81 I 3.5650 7.7222 119.2571 64.5865 36.6444 178.2877 82 D 4.4611 8.1555 118.2108 56.4884 40.9355 177.7031 83 Q 4.4724 7.6972 116.7109 55.6343 28.8193 177.0322 84 L 3.9308 7.4087 121.9318 57.9685 41.8062 177.8829 85 D 4.5460 7.8717 114.8191 54.9883 41.3488 176.1391 86 N 4.8533 8.1138 118.4370 49.7547 39.5251 172.1774 87 P 4.1964 0.0000 0.0000 65.4884 31.3796 177.5905 88 D 4.4862 8.2910 116.9796 57.6493 40.8615 178.4701 89 D 4.3952 8.3086 119.0175 57.0973 40.7818 178.5316 90 L 3.9802 8.1265 121.0299 58.0855 41.9928 179.2031 91 V 3.5697 8.2529 118.8401 66.2082 31.3874 177.8602 92 C 4.1531 7.9869 113.7282 61.1373 29.4133 176.1194 93 V 3.7312 7.7557 114.6682 63.8840 31.2973 178.6229 94 V 3.7918 8.0836 118.2815 66.1308 31.4909 178.0189 95 E 3.9924 8.5289 118.6417 59.0162 29.0587 179.2833 96 K 3.8763 7.7856 119.8630 59.6601 31.8343 179.0259 97 F 4.7263 8.2379 117.5434 60.1654 38.7420 177.6479 98 A 4.0484 8.2149 121.0668 55.0691 18.1696 179.7022 99 V 3.5714 7.7749 116.4356 66.3209 31.3430 177.9372 100 N 4.3712 7.6883 113.8286 56.3951 38.6649 176.3128 101 H 4.5667 7.9376 115.7286 57.6824 29.3401 177.6749 102 I 3.7723 8.1307 122.6644 64.4755 36.6932 178.4766 103 T 3.9281 7.9565 108.9633 64.0915 68.7291 175.1606 104 R 4.2818 7.7647 118.8671 55.3201 30.3112 175.9593 105 K 3.8045 7.7424 116.2510 57.5018 29.7893 175.7971 106 I 4.0131 7.6463 120.5324 60.1432 37.6021 177.1607 107 S 4.5036 8.6638 120.9369 57.4034 65.4453 175.0247 108 A 3.9839 8.4840 123.2888 55.2805 17.8394 179.7605 109 A 4.0150 7.9205 117.8786 55.4444 18.8868 179.2846 110 E 4.1402 8.3126 117.1749 59.4557 29.6604 179.3103 111 F 4.1603 8.7103 121.1474 61.0487 39.4771 177.0345 112 G 3.8924 8.1991 104.2537 46.5002 0.0000 175.3203 113 K 4.1691 8.0652 120.8315 58.6875 32.0534 178.5569 114 I 3.7796 7.5342 118.5993 63.2168 37.6758 177.3288 115 N 4.4815 8.1875 117.9564 56.2319 38.2737 177.2876 116 G 3.6429 7.6653 106.0925 47.4881 0.0000 173.8937 117 P 4.2033 0.0000 0.0000 65.0191 31.2725 178.7459 118 I 3.5109 7.7238 118.5219 64.2160 37.0307 178.3370 119 K 3.9298 8.1559 120.4153 59.4534 31.9886 179.0488 120 K 3.9785 8.0330 118.7863 59.4622 31.6607 179.5803 121 V 3.5564 8.0587 118.9226 65.8057 31.3208 178.1135 122 L 3.9418 8.1534 118.7969 57.8414 41.4746 179.3735 123 A 4.1457 8.1982 120.8482 55.0272 18.0359 179.7318 124 S 4.1357 7.9097 111.9877 60.4907 62.9953 175.8660 125 K 4.3982 7.0580 119.9544 55.5351 32.2891 175.8195 126 N 4.1467 7.9123 114.8908 54.1169 36.2033 174.0370 127 F 4.3963 8.1348 118.1044 56.0491 39.8120 177.2340 128 G 4.0771 8.5989 114.9732 44.2355 0.0000 172.0552 129 D 4.5063 8.9198 118.6992 57.5809 40.8867 178.6245 130 K 3.8336 8.1632 119.3911 59.9569 32.1556 178.2909 131 Y 4.1298 8.0960 116.1295 60.9109 37.9533 177.8744 132 A 4.2488 8.2072 121.6206 55.2974 18.5210 179.4801 133 N 4.3764 8.7717 115.3373 56.2296 38.4343 177.5602 134 A 3.9227 7.8993 121.9392 55.0559 18.4252 179.8211 135 W 3.8506 8.5053 117.2114 59.6225 29.0941 178.6829 136 A 4.4402 8.1422 122.3073 54.5562 17.5361 179.8505 137 K 3.9615 7.6402 116.0875 59.3312 32.3636 179.0586 138 L 3.9467 7.5665 120.9559 58.0179 42.0193 179.1411 139 V 3.7914 8.2524 118.2733 65.9476 31.4950 177.8605 140 A 4.5596 8.0503 121.8670 54.3636 17.8845 179.8055 141 V 3.4393 7.3160 116.5504 66.0562 31.8327 178.1384 142 V 3.5108 7.5092 117.5715 65.9733 31.4436 177.8524 143 Q 3.8647 8.1623 117.5592 58.7715 28.2864 178.5878 144 A 4.0671 7.8244 120.3956 53.9687 18.4545 178.3284 145 A 4.4226 7.6599 117.2371 51.9880 19.6481 176.9738 146 L 4.1966 7.5477 122.8100 54.6336 41.9557 176.3268 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 S 8.19 4.45 0.00 4.05 4.12 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 3 V 8.18 3.38 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 0.99 0.00 0.00 0.90 0.00 0.00 4 Y 8.83 4.04 0.00 3.06 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 5 D 8.17 4.24 0.00 2.93 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 6 A 7.68 3.98 1.28 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 0.00 0.00 7 A 8.02 3.90 1.20 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 0.00 0.00 8 A 7.88 3.79 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 Q 7.32 4.29 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.92 0.00 0.00 0.00 0.00 0.00 2.24 2.52 0.00 10 L 7.49 3.80 0.00 1.61 1.59 0.76 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.12 4.20 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 1.19 0.00 0.00 12 A 8.41 3.93 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 13 D 7.93 4.27 0.00 2.65 2.67 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 14 V 7.40 3.50 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 0.96 0.00 0.00 0.85 0.00 0.00 15 K 8.28 3.83 0.00 1.90 1.78 0.00 1.66 0.00 0.00 1.51 0.00 0.00 2.87 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.35 1.55 7.81 16 K 8.01 3.93 0.00 1.96 2.00 0.00 1.58 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.46 1.58 7.81 17 D 8.13 4.55 0.00 2.77 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.03 3.74 0.00 1.61 1.24 0.54 -0.53 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 19 R 8.22 4.08 0.00 1.95 2.05 0.00 3.21 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 20 D 8.59 4.47 0.00 2.98 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 21 S 8.20 3.21 0.00 3.32 3.29 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 22 W 8.66 4.32 0.00 3.82 3.25 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 0.00 23 K 7.89 3.86 0.00 2.01 1.88 0.00 1.81 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.80 7.81 24 V 7.18 3.77 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 1.13 0.00 0.00 1.13 0.00 0.00 25 I 7.73 3.64 1.60 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.20 0.77 0.00 0.00 26 G 6.96 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 0.00 0.00 0.00 0.00 0.00 0.00 27 S 7.19 4.28 0.00 3.96 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.14 4.67 0.00 2.74 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 29 K 7.95 3.79 0.00 1.74 1.71 0.00 1.17 0.00 0.00 0.79 0.00 0.00 2.13 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.23 1.36 7.81 30 K 7.96 4.00 0.00 1.83 1.78 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.51 7.81 31 G 8.27 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.39 4.50 0.00 2.69 2.73 0.00 0.00 6.99 8.00 0.00 0.00 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 G 8.17 3.50 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 0.00 0.00 0.00 34 V 7.75 3.60 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 1.06 0.00 0.00 0.95 0.00 0.00 35 A 7.76 4.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.89 3.79 0.00 1.85 1.56 0.78 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 37 M 7.70 3.49 0.00 1.70 1.96 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.70 0.00 38 T 8.10 3.99 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 1.29 0.00 0.00 39 T 7.86 3.87 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 1.20 0.00 0.00 40 L 7.60 3.82 0.00 1.54 1.18 0.85 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.49 4.51 0.00 3.18 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 42 A 7.80 4.20 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.12 4.66 0.00 2.66 2.73 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 0.00 0.00 0.00 0.00 44 N 8.11 5.26 0.00 2.98 2.93 0.00 0.00 7.15 7.67 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 45 Q 8.12 4.25 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.94 0.00 0.00 0.00 0.00 0.00 2.48 2.76 0.00 46 E 8.29 4.19 0.00 2.16 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 0.00 2.44 2.36 0.00 47 T 8.21 4.58 4.77 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 1.43 0.00 0.00 48 I 7.81 3.77 1.91 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 1.16 1.04 0.74 0.00 0.00 49 G 8.05 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 50 Y 7.73 4.40 0.00 2.88 2.46 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 51 F 8.28 4.93 0.00 3.04 3.07 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 52 K 8.19 4.03 0.00 1.93 2.08 0.00 1.51 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.45 7.81 53 R 7.99 3.96 0.00 1.82 2.06 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 54 L 7.97 4.24 0.00 1.85 1.75 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.63 3.76 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 0.00 0.00 0.00 56 D 8.39 4.46 0.00 2.67 2.58 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 57 V 7.96 3.86 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.28 0.00 0.00 58 S 8.24 4.36 0.00 3.96 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 59 Q 8.18 4.14 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.82 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 60 G 7.61 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 M 9.01 3.93 0.00 1.96 2.13 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 2.59 2.62 0.00 62 A 7.61 3.99 1.32 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 0.00 0.00 0.00 63 N 8.33 4.52 0.00 2.79 2.89 0.00 0.00 6.82 8.01 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 64 D 8.69 4.37 0.00 2.93 2.93 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 65 K 8.12 4.01 0.00 2.14 1.95 0.00 1.69 0.00 0.00 1.94 0.00 0.00 2.92 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.52 7.81 66 L 8.52 4.06 0.00 1.80 1.86 1.04 0.84 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 67 R 8.38 4.00 0.00 2.08 2.06 0.00 3.16 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 68 G 8.45 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 H 8.40 4.23 0.00 3.39 3.63 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.26 4.07 0.00 3.99 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 71 I 7.97 3.92 1.96 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 1.57 1.57 1.15 0.00 0.00 72 T 7.92 4.08 4.42 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 1.29 0.00 0.00 73 L 8.13 3.88 0.00 1.65 1.78 0.86 0.85 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 74 M 7.94 4.23 0.00 2.03 2.16 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 2.76 2.90 0.00 75 Y 7.94 4.06 0.00 3.26 3.07 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 76 A 7.62 3.75 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.38 3.51 0.00 1.49 1.08 0.88 1.08 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 78 Q 7.89 3.64 0.00 2.42 2.36 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 2.55 2.55 0.00 79 N 7.86 4.31 0.00 2.99 2.96 0.00 0.00 7.28 6.54 0.00 0.00 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 F 7.71 4.65 0.00 3.09 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 81 I 7.72 3.56 1.67 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 -0.02 0.87 0.00 0.00 82 D 8.16 4.46 0.00 2.84 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 7.70 4.47 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.72 0.00 0.00 0.00 0.00 0.00 2.71 2.62 0.00 84 L 7.41 3.93 0.00 1.51 1.68 0.78 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.87 4.55 0.00 2.66 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 86 N 8.11 4.85 0.00 2.68 2.66 0.00 0.00 7.10 6.99 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 87 P 0.00 4.20 0.00 2.18 1.82 0.00 3.66 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 2.00 2.08 0.00 88 D 8.29 4.49 0.00 2.93 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 89 D 8.31 4.40 0.00 2.89 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 90 L 8.13 3.98 0.00 1.91 1.77 0.82 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.25 3.57 2.29 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 1.11 0.00 0.00 1.09 0.00 0.00 92 C 7.99 4.15 0.00 3.16 3.18 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 93 V 7.76 3.73 2.35 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 0.86 0.00 0.00 1.29 0.00 0.00 94 V 8.08 3.79 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 0.89 0.00 0.00 0.46 0.00 0.00 95 E 8.53 3.99 0.00 2.03 1.97 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 2.31 2.56 0.00 96 K 7.79 3.88 0.00 1.76 1.77 0.00 0.66 0.00 0.00 1.19 0.00 0.00 2.65 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.27 1.40 7.81 97 F 8.24 4.73 0.00 3.41 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 98 A 8.21 4.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 3.57 2.26 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 1.02 0.00 0.00 1.01 0.00 0.00 100 N 7.69 4.37 0.00 3.21 2.94 0.00 0.00 7.04 8.04 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 0.00 101 H 7.94 4.57 0.00 3.43 3.43 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.13 3.77 2.00 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 1.57 1.10 0.91 0.00 0.00 103 T 7.96 3.93 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 1.30 0.00 0.00 104 R 7.76 4.28 0.00 1.82 1.81 0.00 3.34 0.00 0.00 3.31 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.64 0.00 105 K 7.74 3.80 0.00 1.95 1.95 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.57 7.81 106 I 7.65 4.01 2.01 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.71 1.01 0.00 0.00 107 S 8.66 4.50 0.00 4.12 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.48 3.98 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 0.00 109 A 7.92 4.02 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 0.00 110 E 8.31 4.14 0.00 2.24 2.10 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 2.43 2.39 0.00 111 F 8.71 4.16 0.00 3.19 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 0.00 112 G 8.20 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 0.00 0.00 0.00 113 K 8.07 4.17 0.00 1.94 1.89 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.73 7.81 114 I 7.53 3.78 1.53 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.08 0.76 0.00 0.00 115 N 8.19 4.48 0.00 2.93 2.89 0.00 0.00 6.70 7.82 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 0.00 116 G 7.67 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.20 0.00 2.04 2.11 0.00 3.66 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 2.00 2.10 0.00 118 I 7.72 3.51 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 1.17 0.68 0.67 0.00 0.00 119 K 8.16 3.93 0.00 1.95 1.98 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.54 7.81 120 K 8.03 3.98 0.00 1.97 1.81 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.59 7.81 121 V 8.06 3.56 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 0.91 0.00 0.00 0.89 0.00 0.00 122 L 8.15 3.94 0.00 1.97 1.98 0.98 0.70 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 0.00 123 A 8.20 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.91 4.14 0.00 4.03 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 0.00 125 K 7.06 4.40 0.00 1.94 1.92 0.00 1.80 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.62 7.81 126 N 7.91 4.15 0.00 2.58 2.73 0.00 0.00 6.83 7.16 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 0.00 127 F 8.13 4.40 0.00 3.13 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 0.00 128 G 8.60 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 0.00 129 D 8.92 4.51 0.00 2.74 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 0.00 130 K 8.16 3.83 0.00 1.75 1.67 0.00 1.61 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.98 1.35 7.81 131 Y 8.10 4.13 0.00 3.43 3.20 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 0.00 132 A 8.21 4.25 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 0.00 133 N 8.77 4.38 0.00 2.94 2.88 0.00 0.00 6.87 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 0.00 134 A 7.90 3.92 1.28 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 0.00 0.00 135 W 8.51 3.85 0.00 3.61 3.36 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 0.00 136 A 8.14 4.44 1.46 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 0.00 0.00 137 K 7.64 3.96 0.00 1.85 1.81 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.66 7.81 138 L 7.57 3.95 0.00 1.40 1.70 0.66 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.25 3.79 2.35 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 1.20 0.00 0.00 1.21 0.00 0.00 140 A 8.05 4.56 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 0.00 141 V 7.32 3.44 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 0.65 0.00 0.00 0.81 0.00 0.00 142 V 7.51 3.51 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 0.17 0.00 0.00 0.81 0.00 0.00 143 Q 8.16 3.86 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.61 2.65 0.00 144 A 7.82 4.07 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 0.00 145 A 7.66 4.42 1.24 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 0.00 146 L 7.55 4.20 0.00 1.57 1.51 0.53 0.66 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