NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5098 8.1633 120.6169 54.9720 32.7985 173.9655 2 K 4.2747 8.0437 122.2768 55.5376 34.0335 170.5450 3 V 4.7033 9.2563 123.3178 61.6842 36.0570 173.0685 4 I 4.6559 8.5742 128.8035 60.4183 38.4309 176.3197 5 L 4.5249 8.2735 128.9788 54.5018 43.0417 176.7971 6 L 3.9847 8.5792 123.0680 55.1747 46.6926 176.1268 7 E 3.9522 8.8936 131.0285 56.2913 28.6050 174.8156 8 P 4.2680 0.0000 0.0000 63.0208 31.6072 175.1005 9 L 4.8849 7.7987 118.3606 52.6736 45.2604 175.4234 10 E 4.1610 8.5467 119.6266 57.0033 30.1550 175.6673 11 N 4.4758 8.8385 122.4572 52.9288 37.1536 173.8705 12 L 5.4436 6.6429 124.7594 55.6048 42.8907 172.0544 13 G 4.1210 7.9096 117.3909 45.2958 0.0000 167.9999 14 D 4.1568 8.7420 127.1881 54.2948 39.2627 173.5276 15 V 3.5887 7.6410 116.7233 60.5269 32.7007 176.4025 16 G 4.0585 8.6138 106.3207 46.4298 0.0000 172.8135 17 Q 4.3242 7.9122 120.9888 55.1735 30.6043 174.6888 18 V 4.7761 8.3253 126.4714 61.9177 32.8897 175.4421 19 V 4.6213 8.7289 127.5839 60.1290 34.6946 173.8416 20 D 5.1393 8.8284 124.8825 52.8127 40.8655 175.9358 21 V 4.7154 8.2949 114.6324 59.7805 35.8493 174.6715 22 K 4.3975 8.6608 119.5823 55.5380 32.8388 175.5541 23 P 4.1739 0.0000 0.0000 65.8339 31.2094 178.6395 24 G 4.1064 8.1346 103.5029 48.3545 0.0000 174.5416 25 Y 4.3517 8.1030 121.5340 60.4987 38.9639 177.9955 26 A 3.8661 8.0285 121.1603 55.1826 18.4052 179.4363 27 R 3.9475 8.8523 117.3290 58.6474 30.1710 177.0001 28 N 4.9938 8.1343 113.1586 53.0026 39.0468 173.8476 29 Y 4.6806 7.3258 118.7168 57.8362 42.8364 176.7589 30 L 3.7104 7.5871 119.2172 56.3676 41.4791 179.2807 31 L 3.9991 6.8979 120.4522 58.1361 42.1761 177.4874 32 P 4.2144 0.0000 0.0000 65.8174 31.4503 178.2010 33 R 4.1787 7.8992 113.4690 55.0337 31.2476 176.9084 34 G 3.9154 7.6256 107.9934 46.5368 0.0000 173.3628 35 L 4.8149 8.6827 115.0854 53.2997 44.6965 176.5642 36 A 4.4941 7.2972 120.7380 52.6083 21.3965 176.0087 37 V 4.4843 8.0850 117.6702 61.0905 35.8412 174.1985 38 L 4.3155 8.4788 123.9239 54.0795 41.7273 178.7175 39 A 4.5167 7.8721 129.8661 51.8689 15.6053 177.6131 40 T 4.1243 7.5959 112.9254 60.8711 70.6833 175.8902 41 E 3.8812 8.9889 122.9596 60.0198 29.3285 179.3566 42 S 4.0766 8.1620 112.1500 62.0784 62.3542 176.0932 43 N 4.4315 8.2783 118.6794 55.7309 38.2651 177.4809 44 L 3.9477 8.6651 123.4984 57.9846 42.2653 179.1686 45 K 4.0896 8.4224 118.9921 59.8518 32.5237 178.9024 46 A 4.0809 7.6515 120.4794 54.7190 18.3445 178.6553 47 L 3.9933 7.7582 119.5470 57.3453 42.1098 178.1189 48 E 3.7358 8.1323 117.2390 59.7271 29.6594 179.2854 49 A 3.9559 8.1597 120.2304 54.3568 18.1111 178.4150 50 R 4.4312 8.5332 115.5466 57.0005 30.8358 177.2870 51 I 4.0618 8.2895 119.5524 64.2169 37.3347 177.9436 52 R 3.8688 7.7949 117.9636 59.4627 30.3699 178.7057 53 A 4.2746 7.3758 114.1117 53.1087 17.8488 177.3862 54 Q 4.4213 8.2388 117.7987 56.6196 31.5357 177.6637 55 A 3.8846 7.9653 120.5273 54.9332 18.7357 179.0311 56 K 4.1134 8.1586 114.6642 58.0580 32.3747 177.4032 57 R 4.2305 7.7948 116.8098 57.3728 30.6325 175.8534 58 L 4.5880 7.3266 117.0201 55.3322 43.7032 176.2896 59 A 4.6500 8.1080 121.0362 52.8135 18.7926 177.7852 60 E 4.5499 8.3689 120.2641 58.0172 32.0949 177.1376 61 R 4.4021 7.8862 115.1832 56.7087 30.7706 176.1247 62 K 4.6523 7.7715 118.5193 55.8332 33.0193 176.3861 63 A 4.5016 8.0817 118.2418 52.9739 22.6737 177.6172 64 E 4.1853 8.1343 115.2814 58.1104 30.2256 177.8207 65 A 4.0344 7.9250 119.6320 53.9408 18.5474 177.4070 66 E 4.5633 7.9536 114.1180 55.9970 29.8548 176.5337 67 R 4.3099 7.8946 122.1852 57.5134 31.0842 178.1745 68 L 3.6494 7.7120 119.0575 57.1347 41.7027 177.2831 69 K 3.9710 6.6087 119.4366 59.6318 32.8976 177.2214 70 E 4.4380 7.6985 121.4321 54.7560 28.5136 175.7743 71 I 4.5524 6.7709 122.0720 61.9560 46.7827 175.2234 72 L 4.4261 6.9079 124.6729 56.9106 41.7863 178.1034 73 E 5.2162 8.5848 116.1396 58.4961 31.5984 177.8279 74 N 4.4366 8.1525 117.3558 55.0388 37.8310 176.7433 75 L 3.9321 8.1726 115.1729 55.9935 41.6320 176.9629 76 T 2.9956 7.7215 110.4330 62.4083 68.4201 171.0702 77 L 4.3955 8.1271 128.2160 55.0023 42.6114 177.0656 78 T 4.4335 8.3661 123.1039 61.5760 68.2177 171.3532 79 I 4.2508 7.6431 124.3137 59.1275 38.6936 174.5201 80 P 4.7446 0.0000 0.0000 61.4135 29.8625 175.3392 81 V 3.9865 7.3671 123.5139 62.1675 34.0362 177.4803 82 R 4.5753 8.5773 119.5917 54.6923 31.5952 174.7012 83 A 4.3655 7.6917 126.1662 50.7833 23.3443 174.6602 84 G 4.5856 7.5453 98.8156 46.9284 0.0000 173.5494 85 E 3.7550 9.5396 132.7285 55.6842 28.1858 175.6410 86 T 4.4751 9.3501 107.8549 58.7724 68.0499 172.6575 87 K 4.4573 7.9530 128.9868 55.4878 33.8143 173.7019 88 I 3.4297 7.6046 127.4495 61.9570 38.2655 176.5552 89 Y 4.7597 8.9205 121.5336 54.8728 36.1732 176.3269 90 G 4.6998 9.1824 118.2357 45.1207 0.0000 172.4195 91 S 3.5118 7.5804 118.8329 57.8406 63.9478 175.0320 92 V 4.8433 7.8327 129.9823 62.9807 33.1265 169.2216 93 T 4.3721 7.5660 116.0872 59.6503 71.0864 173.4728 94 A 3.6006 8.6156 122.1422 55.6238 17.7139 179.8313 95 K 3.5088 8.1549 116.1320 58.7188 32.2713 177.5374 96 D 4.8061 7.6503 116.2857 56.7357 42.7476 177.7431 97 I 3.7263 9.0974 121.5436 63.2367 36.6438 177.8462 98 A 3.9533 7.9533 125.0756 55.7088 19.0061 178.5980 99 E 3.5960 9.5617 115.7069 59.1721 29.2415 178.4777 100 A 4.0058 6.9498 119.9411 55.7610 18.8423 179.8301 101 L 3.7597 8.4248 117.4163 58.2169 41.6120 179.9725 102 S 4.7500 8.3869 116.5104 61.3011 62.6100 176.9393 103 R 3.9123 8.5272 119.5222 59.6051 29.8412 178.4625 104 Q 3.9397 6.7174 118.8675 57.7890 29.3170 178.1813 105 H 5.2832 8.1504 119.1940 56.2754 30.3138 174.0236 106 G 3.5563 8.6345 105.8021 46.9973 0.0000 174.0544 107 V 4.2420 7.0809 118.0762 61.3006 33.1930 174.7029 108 T 4.4521 8.3560 124.5670 63.5820 69.2409 174.5416 109 I 4.5177 7.8206 124.2225 60.5299 40.7078 172.7266 110 D 5.0034 8.2114 120.0580 52.5566 44.7155 173.7025 111 P 4.4795 0.0000 0.0000 65.3406 31.6031 177.2511 112 K 4.5540 7.6710 112.7818 55.7382 35.5016 176.7259 113 R 4.3800 7.8145 119.4565 55.0991 28.0139 175.0566 114 L 4.5379 6.4900 117.0688 54.1776 49.2572 176.6747 115 A 4.3647 7.6874 120.5754 51.6277 20.5363 176.1665 116 L 3.9325 7.8986 121.3882 56.9645 42.7991 176.0338 117 E 4.6872 7.9633 117.0728 56.2323 33.9346 175.6806 118 K 3.8028 8.7615 121.6337 56.7136 32.4235 174.8828 119 P 5.2447 0.0000 0.0000 62.4361 30.9533 178.2984 120 I 2.8890 8.2810 121.9205 62.0987 40.9129 175.9159 121 K 3.9413 7.5393 117.8257 56.2460 29.3666 175.2160 122 E 4.7940 7.3652 116.3959 55.3844 32.5748 175.1925 123 L 4.0145 9.0386 129.5622 54.0922 42.9828 176.7937 124 G 3.6330 7.0552 112.3703 45.9774 0.0000 170.3439 125 E 4.3114 8.0174 119.9384 54.6171 31.8392 174.8517 126 Y 5.1715 8.0760 120.3504 56.3186 41.7603 174.8910 127 V 4.6668 8.1121 120.0177 61.7756 34.8356 173.9764 128 L 4.7803 8.4378 124.3763 53.7748 46.5166 175.5744 129 T 4.6357 8.4275 118.9587 62.3495 71.1171 173.7412 130 Y 4.7863 8.8007 126.0951 57.8964 40.0482 174.5285 131 K 4.7791 9.0377 116.8105 56.7220 34.6293 173.5493 132 P 5.0122 0.0000 0.0000 63.5383 33.2816 174.6089 133 H 3.9816 8.5464 101.3600 56.8607 26.4869 171.9162 134 P 4.5129 0.0000 0.0000 62.7114 32.5252 177.1248 135 E 4.0734 8.1017 113.8208 56.1348 30.0004 173.3205 136 V 4.7111 7.8172 110.5759 58.8451 35.4911 173.9822 137 P 5.2650 0.0000 0.0000 62.5411 32.7289 174.6998 138 I 4.5228 7.6877 118.5166 60.8754 41.6633 173.6798 139 Q 5.1405 8.4283 127.7594 55.5196 29.3818 174.5517 140 L 4.4319 7.9371 122.2416 55.3390 44.7714 175.7095 141 K 4.5250 8.1903 122.7327 54.5756 33.1092 176.7362 142 V 3.8539 8.5237 127.2829 61.5267 29.7484 175.2304 143 S 4.4411 7.3108 120.0042 58.8343 63.9716 174.4536 144 V 4.4865 8.0094 118.2244 62.0678 34.7082 175.3548 145 V 4.1145 8.3551 117.1807 61.4608 31.3107 175.9432 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 1 M 8.16 4.51 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 2 K 8.04 4.27 0.00 1.81 1.73 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.54 1.45 7.81 3 V 9.26 4.70 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 1.01 0.00 0.00 1.01 0.00 0.00 4 I 8.57 4.66 1.87 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 1.23 0.60 0.91 0.00 0.00 5 L 8.27 4.52 0.00 1.55 1.66 0.95 0.82 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 6 L 8.58 3.98 0.00 1.64 1.14 0.90 0.85 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 7 E 8.89 3.95 0.00 1.93 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 0.00 2.32 2.41 0.00 8 P 0.00 4.27 0.00 2.18 2.19 0.00 3.71 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 2.01 2.04 0.00 9 L 7.80 4.88 0.00 1.93 1.69 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.55 4.16 0.00 1.99 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 11 N 8.84 4.48 0.00 2.86 2.85 0.00 0.00 6.99 7.78 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 12 L 6.64 5.44 0.00 1.84 1.89 1.08 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.91 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 0.00 0.00 0.00 14 D 8.74 4.16 0.00 3.04 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 15 V 7.64 3.59 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 0.99 0.00 0.00 0.93 0.00 0.00 16 G 8.61 4.06 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 17 Q 7.91 4.32 0.00 2.37 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 18 V 8.33 4.78 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 0.87 0.00 0.00 0.94 0.00 0.00 19 V 8.73 4.62 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 0.71 0.00 0.00 0.97 0.00 0.00 20 D 8.83 5.14 0.00 2.84 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 21 V 8.29 4.72 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 0.85 0.00 0.00 1.04 0.00 0.00 22 K 8.66 4.40 0.00 1.86 1.75 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.45 7.81 23 P 0.00 4.17 0.00 2.18 2.08 0.00 3.67 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 2.14 2.23 0.00 24 G 8.13 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 0.00 0.00 0.00 25 Y 8.10 4.35 0.00 3.00 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 26 A 8.03 3.87 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 27 R 8.85 3.95 0.00 1.86 2.00 0.00 3.23 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 28 N 8.13 4.99 0.00 2.98 2.84 0.00 0.00 6.73 7.37 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 29 Y 7.33 4.68 0.00 2.89 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 30 L 7.59 3.71 0.00 1.61 1.37 0.86 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 31 L 6.90 4.00 0.00 1.83 1.72 0.90 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.21 0.00 2.05 2.08 0.00 3.69 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 2.01 2.24 0.00 33 R 7.90 4.18 0.00 1.42 1.71 0.00 2.32 0.00 0.00 2.97 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.41 0.00 34 G 7.63 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 35 L 8.68 4.81 0.00 1.27 1.51 0.59 1.12 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 36 A 7.30 4.49 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 37 V 8.08 4.48 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 0.92 0.00 0.00 0.91 0.00 0.00 38 L 8.48 4.32 0.00 1.56 1.61 0.92 0.79 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 39 A 7.87 4.52 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 40 T 7.60 4.12 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 1.24 0.00 0.00 41 E 8.99 3.88 0.00 2.03 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 2.41 2.40 0.00 42 S 8.16 4.08 0.00 3.88 3.87 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 43 N 8.28 4.43 0.00 2.79 2.84 0.00 0.00 6.78 6.90 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 44 L 8.67 3.95 0.00 1.83 1.74 0.92 0.53 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 45 K 8.42 4.09 0.00 2.00 2.04 0.00 1.37 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.77 1.45 7.81 46 A 7.65 4.08 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 47 L 7.76 3.99 0.00 1.86 1.82 0.92 1.05 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 48 E 8.13 3.74 0.00 2.12 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 2.32 2.37 0.00 49 A 8.16 3.96 1.38 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 50 R 8.53 4.43 0.00 1.70 2.02 0.00 3.25 0.00 0.00 3.22 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 51 I 8.29 4.06 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 1.70 0.73 0.91 0.00 0.00 52 R 7.79 3.87 0.00 1.87 1.98 0.00 3.13 0.00 0.00 3.64 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 53 A 7.38 4.27 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 54 Q 8.24 4.42 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.79 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 55 A 7.97 3.88 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.16 4.11 0.00 1.71 1.97 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.37 7.81 57 R 7.79 4.23 0.00 1.88 1.96 0.00 3.38 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 58 L 7.33 4.59 0.00 1.88 1.74 0.89 0.88 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 59 A 8.11 4.65 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 60 E 8.37 4.55 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 61 R 7.89 4.40 0.00 1.85 1.98 0.00 3.37 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.55 0.00 62 K 7.77 4.65 0.00 1.77 1.85 0.00 1.91 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.31 1.55 7.81 63 A 8.08 4.50 1.22 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 0.00 0.00 0.00 64 E 8.13 4.19 0.00 2.05 2.14 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 2.24 2.26 0.00 65 A 7.92 4.03 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 66 E 7.95 4.56 0.00 1.89 1.88 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 2.10 2.13 0.00 67 R 7.89 4.31 0.00 1.86 2.02 0.00 3.37 0.00 0.00 3.09 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 68 L 7.71 3.65 0.00 1.67 1.74 0.94 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 69 K 6.61 3.97 0.00 1.62 1.77 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.69 1.39 7.81 70 E 7.70 4.44 0.00 2.00 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 2.31 2.28 0.00 71 I 6.77 4.55 1.89 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 1.48 0.76 0.94 0.00 0.00 72 L 6.91 4.43 0.00 1.79 1.82 1.19 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 73 E 8.58 5.22 0.00 2.46 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 0.00 2.33 2.18 0.00 74 N 8.15 4.44 0.00 2.94 3.12 0.00 0.00 6.15 6.67 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 75 L 8.17 3.93 0.00 1.80 1.81 1.01 0.94 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 76 T 7.72 3.00 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 1.26 0.00 0.00 77 L 8.13 4.40 0.00 1.63 1.60 0.93 0.88 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 78 T 8.37 4.43 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 1.21 0.00 0.00 79 I 7.64 4.25 1.85 0.00 0.00 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 1.45 1.17 0.97 0.00 0.00 80 P 0.00 4.74 0.00 2.17 2.08 0.00 3.75 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 81 V 7.37 3.99 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 0.75 0.00 0.00 0.94 0.00 0.00 82 R 8.58 4.58 0.00 1.84 2.07 0.00 3.10 0.00 0.00 3.40 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 83 A 7.69 4.37 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 84 G 7.55 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 E 9.54 3.76 0.00 2.10 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 2.15 2.22 0.00 86 T 9.35 4.48 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 87 K 7.95 4.46 0.00 1.88 1.91 0.00 1.90 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.24 1.32 7.81 88 I 7.60 3.43 1.85 0.00 0.00 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 1.30 0.60 0.91 0.00 0.00 89 Y 8.92 4.76 0.00 3.28 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 90 G 9.18 4.70 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 91 S 7.58 3.51 0.00 4.10 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 92 V 7.83 4.84 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.95 0.00 0.00 93 T 7.57 4.37 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 1.21 0.00 0.00 94 A 8.62 3.60 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 95 K 8.15 3.51 0.00 1.74 1.89 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.48 7.81 96 D 7.65 4.81 0.00 2.75 2.66 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 97 I 9.10 3.73 1.92 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 1.46 0.75 0.88 0.00 0.00 98 A 7.95 3.95 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 99 E 9.56 3.60 0.00 2.04 1.86 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 2.31 2.35 0.00 100 A 6.95 4.01 1.38 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 0.00 101 L 8.42 3.76 0.00 1.90 1.70 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.39 4.75 0.00 3.84 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 0.00 103 R 8.53 3.91 0.00 1.84 2.00 0.00 3.19 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 1.67 1.64 0.00 104 Q 6.72 3.94 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.72 0.00 0.00 0.00 0.00 0.00 2.11 2.30 0.00 105 H 8.15 5.28 0.00 3.27 3.39 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.63 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 7.08 4.24 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 1.04 0.00 0.00 0.86 0.00 0.00 108 T 8.36 4.45 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 1.25 0.00 0.00 109 I 7.82 4.52 1.83 0.00 0.00 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 1.34 0.36 0.76 0.00 0.00 110 D 8.21 5.00 0.00 2.69 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.48 0.00 2.17 2.17 0.00 3.72 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 1.98 1.98 0.00 112 K 7.67 4.55 0.00 1.68 1.80 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.50 7.81 113 R 7.81 4.38 0.00 2.29 1.98 0.00 3.24 0.00 0.00 3.29 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 114 L 6.49 4.54 0.00 1.46 1.29 0.69 -0.06 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 0.00 115 A 7.69 4.36 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 0.00 116 L 7.90 3.93 0.00 1.56 1.62 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 117 E 7.96 4.69 0.00 1.89 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 0.00 2.04 2.10 0.00 118 K 8.76 3.80 0.00 1.67 1.71 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.44 7.81 119 P 0.00 5.24 0.00 2.22 2.06 0.00 3.42 0.00 0.00 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.90 0.00 120 I 8.28 2.89 1.96 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.01 1.01 0.00 0.00 121 K 7.54 3.94 0.00 2.13 2.02 0.00 1.78 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.51 7.81 122 E 7.37 4.79 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 2.09 2.12 0.00 123 L 9.04 4.01 0.00 1.65 1.57 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.06 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 0.00 125 E 8.02 4.31 0.00 1.77 1.74 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 2.05 2.13 0.00 126 Y 8.08 5.17 0.00 2.93 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 0.00 127 V 8.11 4.67 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.99 0.00 0.00 128 L 8.44 4.78 0.00 1.57 1.46 0.91 0.64 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 0.00 129 T 8.43 4.64 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 1.37 0.00 0.00 130 Y 8.80 4.79 0.00 3.18 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 9.04 4.78 0.00 1.81 1.87 0.00 1.22 0.00 0.00 0.84 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.33 7.81 132 P 0.00 5.01 0.00 2.22 2.08 0.00 3.98 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.97 0.00 133 H 8.55 3.98 0.00 3.36 3.49 0.00 5.51 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.51 0.00 2.18 2.19 0.00 4.00 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 135 E 8.10 4.07 0.00 2.36 2.39 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 2.16 2.29 0.00 136 V 7.82 4.71 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 0.70 0.00 0.00 1.07 0.00 0.00 137 P 0.00 5.27 0.00 2.14 2.19 0.00 4.13 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.82 0.00 138 I 7.69 4.52 1.90 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 1.24 1.30 0.92 0.00 0.00 139 Q 8.43 5.14 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.50 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 140 L 7.94 4.43 0.00 1.57 1.71 1.01 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.19 4.52 0.00 1.90 1.67 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.29 7.81 142 V 8.52 3.85 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 0.65 0.00 0.00 0.82 0.00 0.00 143 S 7.31 4.44 0.00 4.03 3.81 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 0.00 144 V 8.01 4.49 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 0.74 0.00 0.00 0.84 0.00 0.00 145 V 8.36 4.11 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 0.74 0.00 0.00 1.23 0.00 0.00