NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4343 8.3044 118.1936 55.1656 32.5472 174.3385 1 V 4.2107 7.8920 118.4049 60.7686 34.1871 173.3957 2 L 4.3190 8.3531 127.6617 54.0133 43.5915 176.8899 3 S 4.5751 8.6578 117.5673 57.5987 65.5572 175.1420 4 E 4.3163 8.7889 121.9776 59.2670 29.3079 178.8870 5 G 3.6365 8.0810 105.5795 47.7083 0.0000 175.4433 6 E 3.8772 7.7786 119.6502 58.9630 29.4213 179.2124 7 W 4.5345 7.8772 118.9420 60.3103 29.1176 178.6500 8 Q 4.1448 8.3883 117.7367 58.9286 27.9992 178.7459 9 L 4.0758 8.1116 120.1911 57.5797 41.6389 179.7380 10 V 3.7133 8.0463 118.2409 66.2527 31.6177 178.1801 11 L 4.3297 8.5627 118.6985 57.3825 41.2340 178.9427 12 H 4.1580 8.2916 118.1294 59.3425 30.2396 177.1140 13 V 3.7289 7.7950 120.0260 65.7906 31.3928 177.8046 14 W 4.0654 8.5711 127.8286 60.1822 30.2551 177.8085 15 A 4.0341 7.8387 120.3538 54.9013 18.0375 179.4144 16 K 3.9684 7.7529 117.0761 59.2880 32.0910 179.6797 17 V 2.8954 7.0990 118.0999 65.7151 31.1476 177.4597 18 E 3.8857 7.3878 115.8328 57.9724 29.3127 178.5433 19 A 4.1909 7.4543 120.6921 53.8841 19.8059 177.6390 20 D 4.6597 7.8018 116.6832 52.1258 42.6898 175.5406 21 V 3.4455 7.9061 123.0633 65.4721 32.0877 176.8143 22 A 4.0576 7.9581 120.1576 55.0777 18.4333 179.5165 23 G 3.7625 8.0752 105.5358 47.8121 0.0000 175.6343 24 H 4.2100 8.3232 118.9841 58.3538 28.7159 178.1673 25 G 3.6144 8.1814 107.6338 47.6738 0.0000 175.6285 26 Q 3.8451 8.0116 121.7870 59.1372 29.1576 177.7924 27 D 4.2944 7.8600 119.7047 57.4924 40.7247 179.1615 28 I 3.6743 7.7359 120.0506 64.3840 37.1626 178.5198 29 L 3.4747 7.7223 119.7869 57.5366 41.3060 179.7101 30 I 3.6410 7.6987 119.8662 64.2805 37.0315 178.3838 31 R 3.7795 7.9188 119.5586 59.2278 29.8671 178.2408 32 L 3.8689 7.8600 120.2250 58.3431 41.9681 179.1091 33 F 4.6070 7.8722 117.4958 60.1788 38.5320 177.9608 34 K 4.0352 8.0539 117.8456 59.4430 32.0900 179.2800 35 S 4.2713 7.9814 114.3712 60.6135 64.1169 174.7551 36 H 4.8070 8.0637 118.3323 52.2196 30.0727 171.8222 37 P 4.6227 0.0000 0.0000 64.6053 31.4699 177.5716 38 E 4.2589 8.2371 116.3621 59.5809 29.5502 179.1329 39 T 3.8795 8.1946 110.9515 64.2649 68.8643 176.2538 40 L 3.7360 8.0354 123.4431 57.8249 41.7802 178.4460 41 E 4.1901 7.9568 116.9733 58.3724 29.5125 178.4363 42 K 4.4654 8.0245 116.7795 56.6946 33.0180 177.5165 43 F 4.5345 7.9711 118.9351 55.4946 39.0668 175.3698 44 D 4.4021 8.5459 124.2535 57.5238 40.7839 178.4467 45 R 3.8742 7.7351 117.6832 58.2542 30.2923 176.7322 46 F 5.0763 7.7786 115.1204 56.8565 40.8638 177.1410 47 K 3.8628 8.2314 121.7072 59.6029 31.9840 176.5748 48 H 4.5508 8.1053 111.7523 56.4141 29.2674 175.3468 49 L 4.1178 7.7881 122.0560 54.7567 41.7614 176.7678 50 K 4.4037 9.2903 123.3105 56.9481 34.0706 177.0329 51 T 4.7222 7.2987 107.4985 58.8265 73.2379 174.1000 52 E 3.8924 8.7521 121.7089 59.5894 29.5589 179.0424 53 A 4.0258 7.8863 120.2500 55.1009 18.2953 179.2958 54 E 3.9119 7.8231 116.1657 59.6929 29.8451 179.1375 55 M 4.1096 8.0121 118.6696 58.4861 31.8560 178.9935 56 K 4.0368 8.3479 117.2021 59.1814 32.2581 178.6113 57 A 4.3604 7.4976 118.8229 52.3001 18.6805 177.3066 58 S 4.2079 7.3541 113.3732 57.8002 62.8638 174.5359 59 E 3.9900 8.8502 129.0253 59.1610 29.4637 177.9396 60 D 4.4361 8.1434 117.9335 57.2706 41.3839 177.8823 61 L 3.4661 7.5187 120.5153 57.7258 42.0050 178.8578 62 K 3.9303 7.7615 119.3615 59.0905 32.1020 178.6557 63 K 3.9249 8.2417 120.1178 59.9592 32.1088 178.2865 64 H 4.4510 8.5131 118.6051 59.2038 29.8170 177.4837 65 G 3.6489 8.2574 107.7478 47.5698 0.0000 175.9512 66 V 3.6318 7.7093 120.1025 66.0866 31.5759 178.2180 67 T 3.9050 7.9032 115.5204 66.6248 68.4102 176.6851 68 V 3.6022 8.1135 120.3490 66.2528 31.6411 178.1842 69 L 4.3076 8.1310 118.5552 57.9294 41.4602 179.6969 70 T 3.9939 8.2161 115.8223 66.6102 68.0070 176.6356 71 A 4.0789 8.1091 122.7716 54.9008 18.2810 179.5385 72 L 3.7910 8.0746 118.9839 58.0805 42.2091 179.1941 73 G 3.5146 8.7005 105.8409 47.9955 0.0000 175.4905 74 A 4.0549 7.6504 121.3402 54.4175 18.5785 179.6739 75 I 3.7821 7.2105 118.2728 64.5302 37.2488 178.4551 76 L 3.9257 7.7606 120.0655 57.6777 41.2003 179.5087 77 K 4.0296 7.7282 116.5009 58.1304 32.2562 178.5217 78 K 3.9728 7.9871 118.4448 55.8501 33.1228 176.2991 79 K 2.0000 8.0275 118.5884 56.2343 29.6732 174.2760 80 G 4.0250 7.7654 106.0652 45.7794 0.0000 173.0992 81 H 5.3098 7.6561 118.2837 54.3954 27.3515 174.7129 82 H 5.1836 7.3280 111.3560 54.1404 29.6565 176.2447 83 E 3.9564 8.6480 121.5667 60.4430 28.9682 179.1278 84 A 4.1442 7.9014 118.4258 55.1207 18.6512 179.0766 85 E 4.0919 8.1695 116.7322 59.3448 29.5197 179.1302 86 L 4.1234 7.9215 120.5996 57.7361 42.1039 179.1458 87 K 3.9984 7.7787 117.4762 59.0061 32.1009 177.6663 88 P 4.3234 0.0000 0.0000 65.4537 31.2030 178.2529 89 L 4.1011 7.5076 120.7647 58.1246 42.0163 178.7276 90 A 4.2456 8.3150 120.9346 55.0926 18.3238 179.4160 91 Q 3.9011 8.4015 118.4718 59.3422 29.1420 178.6649 92 S 4.0535 8.1373 115.3343 61.9505 63.1002 176.2066 93 H 4.3432 8.6308 119.7285 58.0605 28.2444 177.7437 94 A 3.3149 8.2653 122.5679 54.4562 18.3830 178.5982 95 T 4.0069 7.5100 108.9941 62.4887 68.8802 175.5430 96 K 3.9533 7.6472 120.8593 59.2408 32.5201 177.2434 97 H 4.3823 8.1268 113.6291 55.4316 29.6236 175.2503 98 K 3.3184 7.5248 117.7661 57.2055 28.8052 175.8045 99 I 4.3489 8.2329 119.0338 58.6391 38.6803 175.0544 100 P 4.4094 0.0000 0.0000 62.4978 31.9607 177.2501 101 I 3.7537 9.1355 122.6035 64.7730 37.5416 178.4830 102 K 3.7824 7.9967 120.3063 59.6515 31.9299 178.1703 103 Y 4.1298 8.0776 116.4999 60.1851 37.5957 178.1171 104 W 4.2233 8.2074 120.4336 59.4182 29.1161 178.3856 105 E 4.1226 8.1743 118.4601 59.2405 29.1616 178.9469 106 F 4.4682 7.9165 117.4902 60.8755 39.0486 177.6023 107 I 3.9039 8.0228 117.7222 63.6628 37.8551 178.1001 108 S 4.2685 7.9635 116.7425 61.5082 62.6831 176.0425 109 E 4.0193 8.4694 121.8408 59.3400 29.4503 178.7726 110 A 4.0422 8.0185 120.3992 55.0769 18.3306 179.6948 111 I 3.7116 7.8402 118.3063 64.7756 37.2866 178.7927 112 I 3.8225 7.7906 120.2501 64.5686 36.9175 178.0237 113 H 4.1837 8.4503 119.2319 59.1984 29.6608 177.6122 114 V 3.5529 7.9412 120.0315 66.0004 31.3853 178.0272 115 L 3.8032 7.9250 118.9342 57.8902 41.0555 178.9866 116 H 4.3324 7.7765 117.2500 59.5005 29.9028 177.2722 117 S 4.1870 7.8339 115.9965 61.1334 62.7234 176.1273 118 R 4.1711 7.8725 119.4268 57.0140 31.4409 176.3863 119 H 5.0672 8.3774 115.8849 54.1749 29.5424 173.3114 120 P 4.3614 0.0000 0.0000 65.7267 31.8276 179.2561 121 G 3.6552 8.2226 106.9656 47.7192 0.0000 173.6400 122 N 5.0229 8.2113 114.6989 52.8925 39.5097 174.6563 123 F 4.9097 7.8457 119.3316 56.5332 39.5654 174.2384 124 G 3.8689 7.7362 108.8543 43.7852 0.0000 172.4326 125 A 3.9007 8.4383 120.8619 55.5644 18.1846 179.5650 126 D 4.1945 7.9948 116.3485 57.4905 40.8499 178.8323 127 A 3.9593 7.7259 120.7838 54.9371 18.3943 179.3208 128 Q 3.2307 8.0367 118.8146 58.8632 28.9151 178.6528 129 G 3.4658 8.1927 106.8755 47.4001 0.0000 175.6360 130 A 3.8175 7.8565 123.1086 55.2237 18.4107 179.3289 131 M 3.9633 8.2703 117.0954 58.7979 32.2273 177.9498 132 N 4.3129 8.4193 117.3869 56.4885 39.1325 176.6137 133 K 3.7907 8.2342 121.0771 59.5703 32.2191 178.5179 134 A 3.8155 8.0915 121.1505 55.1956 18.2112 179.6459 135 L 4.2258 8.2434 117.5170 57.5891 41.6080 179.5219 136 E 3.9402 8.6245 119.2828 59.2740 29.4394 178.7592 137 L 3.9315 8.0239 120.4099 58.2831 41.9797 178.7808 138 F 4.1960 8.2795 120.1590 61.5463 39.3040 177.2578 139 R 3.3056 8.1100 117.9527 58.8811 29.7882 179.2741 140 K 3.8566 8.2419 118.9963 59.9997 32.6173 179.0396 141 D 4.2393 7.9391 120.0845 57.0656 40.6024 178.7799 142 I 3.2419 7.3885 120.4291 63.9795 36.9742 178.3432 143 A 3.5649 7.7552 121.7877 54.9030 18.1580 179.5409 144 A 3.9199 8.0011 119.3914 55.2058 18.4132 180.0744 145 K 4.1718 7.8882 118.3614 59.1258 32.0171 178.8569 146 Y 4.2907 8.3117 117.4968 61.2136 37.8933 178.8385 147 K 3.9026 7.9962 119.6620 59.8466 31.8298 178.6067 148 E 4.0202 8.1777 118.6074 59.2021 29.1593 178.7164 149 L 4.3759 7.9013 116.7703 55.0720 41.9531 177.6727 150 G 3.8740 7.9364 107.1704 45.8429 0.0000 173.2713 151 Y 4.3926 7.7010 118.5255 56.8391 40.2716 176.3281 152 Q 3.0069 7.8780 121.6792 56.9529 27.0261 174.3322 153 G 3.4572 7.4978 111.7967 45.7697 0.0000 171.1433 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 0 M 8.30 4.43 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 1 V 7.89 4.21 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.35 4.32 0.00 1.08 0.80 0.64 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.66 4.58 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 4 E 8.79 4.32 0.00 2.19 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 2.43 2.52 0.00 5 G 8.08 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 6 E 7.78 3.88 0.00 1.94 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 2.22 2.26 0.00 7 W 7.88 4.53 0.00 3.57 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Q 8.39 4.14 0.00 2.31 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.74 2.60 0.00 9 L 8.11 4.08 0.00 1.86 1.74 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.05 3.71 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 1.19 0.00 0.00 0.91 0.00 0.00 11 L 8.56 4.33 0.00 1.84 1.81 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.29 4.16 0.00 3.25 3.62 0.00 5.95 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.80 3.73 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 0.97 0.00 0.00 1.42 0.00 0.00 14 W 8.57 4.07 0.00 3.64 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 15 A 7.84 4.03 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 16 K 7.75 3.97 0.00 1.57 1.73 0.00 1.64 0.00 0.00 1.49 0.00 0.00 2.71 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.48 7.81 17 V 7.10 2.90 1.02 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 -0.02 0.00 0.00 0.50 0.00 0.00 18 E 7.39 3.89 0.00 1.85 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 2.21 1.96 0.00 19 A 7.45 4.19 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 20 D 7.80 4.66 0.00 2.70 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.91 3.45 2.05 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 0.98 0.00 0.00 0.85 0.00 0.00 22 A 7.96 4.06 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 23 G 8.08 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 24 H 8.32 4.21 0.00 3.11 3.25 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.18 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 26 Q 8.01 3.85 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 27 D 7.86 4.29 0.00 2.90 2.64 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 28 I 7.74 3.67 1.89 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 1.52 0.70 0.89 0.00 0.00 29 L 7.72 3.47 0.00 1.50 1.13 0.85 0.48 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 30 I 7.70 3.64 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.59 0.90 0.00 0.00 31 R 7.92 3.78 0.00 1.85 2.17 0.00 2.97 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 32 L 7.86 3.87 0.00 1.62 1.35 1.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.87 4.61 0.00 3.01 2.89 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 34 K 8.05 4.04 0.00 1.68 1.83 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.70 7.81 35 S 7.98 4.27 0.00 3.78 3.62 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.06 4.81 0.00 2.93 3.09 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.62 0.00 2.15 2.11 0.00 3.83 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 38 E 8.24 4.26 0.00 2.28 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 2.26 2.50 0.00 39 T 8.19 3.88 4.41 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 0.87 0.00 0.00 40 L 8.04 3.74 0.00 1.52 1.78 0.04 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.96 4.19 0.00 2.25 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 2.37 2.37 0.00 42 K 8.02 4.47 0.00 1.97 1.74 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.10 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.66 2.01 7.81 43 F 7.97 4.53 0.00 3.18 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 44 D 8.55 4.40 0.00 2.57 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 45 R 7.74 3.87 0.00 1.29 0.66 0.00 3.07 0.00 0.00 2.95 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 46 F 7.78 5.08 0.00 2.85 2.64 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 47 K 8.23 3.86 0.00 2.02 1.91 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.50 7.81 48 H 8.11 4.55 0.00 3.32 3.40 0.00 5.58 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.79 4.12 0.00 1.49 1.54 0.79 0.79 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 50 K 9.29 4.40 0.00 1.76 1.81 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.55 7.81 51 T 7.30 4.72 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 52 E 8.75 3.89 0.00 2.03 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 2.35 2.36 0.00 53 A 7.89 4.03 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 54 E 7.82 3.91 0.00 2.12 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 2.33 0.00 55 M 8.01 4.11 0.00 2.03 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.52 0.00 56 K 8.35 4.04 0.00 1.64 1.84 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.73 7.81 57 A 7.50 4.36 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 58 S 7.35 4.21 0.00 4.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 E 8.85 3.99 0.00 2.13 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 2.39 2.44 0.00 60 D 8.14 4.44 0.00 2.97 2.96 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 61 L 7.52 3.47 0.00 1.28 1.53 0.21 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.76 3.93 0.00 1.83 1.89 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.43 7.81 63 K 8.24 3.92 0.00 1.89 2.08 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.66 7.81 64 H 8.51 4.45 0.00 3.64 3.63 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.26 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 66 V 7.71 3.63 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 1.05 0.00 0.00 0.97 0.00 0.00 67 T 7.90 3.90 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 68 V 8.11 3.60 2.22 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 1.10 0.00 0.00 0.94 0.00 0.00 69 L 8.13 4.31 0.00 1.82 1.87 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.22 3.99 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 1.27 0.00 0.00 71 A 8.11 4.08 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 72 L 8.07 3.79 0.00 1.89 1.86 0.42 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.70 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 74 A 7.65 4.05 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 75 I 7.21 3.78 1.72 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 1.51 0.63 0.68 0.00 0.00 76 L 7.76 3.93 0.00 1.32 1.53 -0.19 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.73 4.03 0.00 1.70 1.79 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.45 1.51 7.81 78 K 7.99 3.97 0.00 1.80 1.79 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.61 1.81 7.81 79 K 8.03 2.00 0.00 1.22 0.74 0.00 1.43 0.00 0.00 1.37 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.41 0.72 7.81 80 G 7.77 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.66 5.31 0.00 3.17 3.24 0.00 5.75 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.33 5.18 0.00 3.28 3.43 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 83 E 8.65 3.96 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 2.42 2.48 0.00 84 A 7.90 4.14 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 85 E 8.17 4.09 0.00 2.29 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 2.41 2.45 0.00 86 L 7.92 4.12 0.00 2.08 1.68 1.01 0.64 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 87 K 7.78 4.00 0.00 1.92 1.87 0.00 1.83 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.65 7.81 88 P 0.00 4.32 0.00 2.33 2.35 0.00 3.87 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.06 0.00 89 L 7.51 4.10 0.00 2.07 2.00 1.28 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.31 4.25 1.45 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 0.00 0.00 91 Q 8.40 3.90 0.00 2.20 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 92 S 8.14 4.05 0.00 4.03 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.63 4.34 0.00 3.93 3.97 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.27 3.31 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.51 4.01 4.07 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 1.13 0.00 0.00 96 K 7.65 3.95 0.00 1.58 1.71 0.00 1.61 0.00 0.00 1.63 0.00 0.00 3.05 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.31 7.81 97 H 8.13 4.38 0.00 3.03 3.13 0.00 5.86 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 98 K 7.52 3.32 0.00 1.78 1.77 0.00 1.46 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.24 1.31 7.81 99 I 8.23 4.35 2.19 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.84 0.93 0.00 0.00 100 P 0.00 4.41 0.00 1.89 1.99 0.00 3.34 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 0.49 1.30 0.00 101 I 9.14 3.75 2.09 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.73 0.81 0.00 0.00 102 K 8.00 3.78 0.00 1.74 1.66 0.00 1.19 0.00 0.00 1.60 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 0.75 7.81 103 Y 8.08 4.13 0.00 3.10 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 0.00 104 W 8.21 4.22 0.00 3.51 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.17 4.12 0.00 2.12 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 2.43 2.40 0.00 106 F 7.92 4.47 0.00 3.13 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 0.00 107 I 8.02 3.90 1.90 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 1.58 1.36 1.06 0.00 0.00 108 S 7.96 4.27 0.00 4.14 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 0.00 109 E 8.47 4.02 0.00 2.30 2.32 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 2.37 2.41 0.00 110 A 8.02 4.04 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 0.00 111 I 7.84 3.71 2.14 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.74 1.07 0.00 0.00 112 I 7.79 3.82 2.01 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.08 1.14 0.00 0.00 113 H 8.45 4.18 0.00 3.29 3.47 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.94 3.55 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.98 0.00 0.00 115 L 7.93 3.80 0.00 0.43 0.77 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.78 4.33 0.00 3.50 3.65 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.83 4.19 0.00 3.80 3.83 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 0.00 118 R 7.87 4.17 0.00 1.64 1.52 0.00 2.80 0.00 0.00 3.01 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.48 0.00 119 H 8.38 5.07 0.00 3.16 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.36 0.00 2.21 2.25 0.00 3.76 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 2.07 1.93 0.00 121 G 8.22 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 0.00 122 N 8.21 5.02 0.00 2.83 2.99 0.00 0.00 6.69 6.77 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 0.00 123 F 7.85 4.91 0.00 2.99 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 0.00 124 G 7.74 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 0.00 0.00 0.00 125 A 8.44 3.90 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 0.00 126 D 7.99 4.19 0.00 2.64 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 0.00 127 A 7.73 3.96 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 0.00 128 Q 8.04 3.23 0.00 1.31 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 129 G 8.19 3.47 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 0.00 130 A 7.86 3.82 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 0.00 131 M 8.27 3.96 0.00 2.35 2.36 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.93 0.00 132 N 8.42 4.31 0.00 2.93 2.92 0.00 0.00 6.83 7.41 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 0.00 133 K 8.23 3.79 0.00 1.95 1.73 0.00 1.60 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.38 7.81 134 A 8.09 3.82 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.24 4.23 0.00 1.80 1.89 1.05 0.85 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 0.00 136 E 8.62 3.94 0.00 2.12 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 2.34 2.50 0.00 137 L 8.02 3.93 0.00 1.84 1.98 1.02 0.96 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 0.00 138 F 8.28 4.20 0.00 3.17 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 0.00 139 R 8.11 3.31 0.00 2.11 1.81 0.00 3.15 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 140 K 8.24 3.86 0.00 1.87 2.18 0.00 1.27 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.41 7.81 141 D 7.94 4.24 0.00 2.79 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 0.00 142 I 7.39 3.24 0.80 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 -0.36 -0.57 0.00 0.00 143 A 7.76 3.56 1.14 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 0.00 144 A 8.00 3.92 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 0.00 145 K 7.89 4.17 0.00 2.06 1.92 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.54 7.81 146 Y 8.31 4.29 0.00 3.20 3.09 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 0.00 147 K 8.00 3.90 0.00 1.86 2.00 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 148 E 8.18 4.02 0.00 2.26 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 2.49 0.00 149 L 7.90 4.38 0.00 1.77 1.69 0.96 0.87 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 0.00 150 G 7.94 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 0.00 0.00 0.00 151 Y 7.70 4.39 0.00 2.57 2.59 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 0.00 152 Q 7.88 3.01 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.24 0.00 153 G 7.50 3.46 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 0.00