NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4490 8.3044 118.1938 55.0993 32.5621 174.2616 1 V 4.2483 7.9226 118.7642 60.6586 34.4024 173.6693 2 L 4.2898 8.3024 127.2814 53.9377 43.6458 176.8270 3 S 4.5575 8.5362 117.3859 57.5124 65.4549 175.1552 4 E 4.2726 8.7579 121.9707 59.4634 29.3969 178.7553 5 G 3.6763 8.1458 105.3132 47.8219 0.0000 175.3957 6 E 3.8808 7.7997 119.3475 59.0436 29.4564 179.3656 7 W 4.3796 8.0420 118.9444 60.0269 29.0676 178.6182 8 Q 4.1947 8.6955 118.3839 58.8668 27.9753 178.7889 9 L 4.0497 7.9720 120.0562 57.6841 41.6613 179.7394 10 V 3.7010 7.8457 118.0870 66.2565 31.6081 178.2163 11 L 4.2615 8.6068 118.8233 57.6351 40.2060 178.9973 12 H 4.2905 8.6111 119.1846 59.1370 29.8160 177.6559 13 V 3.9034 7.8797 121.0066 64.3541 31.3790 178.2189 14 W 4.0259 8.5739 128.9364 60.1246 30.2674 177.7528 15 A 4.0282 7.9201 120.2223 54.9212 18.0052 179.5169 16 K 3.9564 7.2876 117.3564 59.4078 32.1192 179.4893 17 V 2.8658 7.1718 118.4926 65.9450 31.0285 177.6259 18 E 3.8631 7.4908 115.3587 57.9122 29.3396 178.5364 19 A 4.2381 7.4881 120.7538 53.7765 19.6473 177.5576 20 D 4.6152 7.8659 116.9645 52.0998 42.5121 175.6000 21 V 3.4649 8.0290 123.0464 65.3894 32.0653 176.8459 22 A 4.0715 7.9849 120.2435 55.0758 18.2657 179.7297 23 G 3.5954 8.2006 105.6060 47.7095 0.0000 175.7642 24 H 4.1825 8.1680 118.5101 58.3644 28.7023 178.1093 25 G 3.5987 8.2268 107.6595 47.7525 0.0000 175.4230 26 Q 3.8735 7.9244 122.1072 59.0459 29.1217 178.0860 27 D 4.2940 7.9628 119.7869 57.4507 40.8319 179.0688 28 I 3.6860 7.8082 120.1634 64.4279 37.1870 178.5891 29 L 3.5618 7.7964 119.7895 57.4745 41.2397 179.6735 30 I 3.6712 7.7192 120.0087 64.1170 36.9625 178.3186 31 R 3.7714 7.8651 119.6049 59.2232 29.8035 178.0792 32 L 3.9136 7.7256 119.9666 58.5178 42.0692 179.1530 33 F 4.5350 7.8295 117.4403 60.4180 38.5561 178.0353 34 K 4.0018 8.1679 117.7144 59.6953 31.9927 179.3962 35 S 4.3035 8.0225 114.1999 60.4471 64.0976 174.6255 36 H 4.7910 8.3055 118.5837 52.2740 29.8057 171.9485 37 P 4.7661 0.0000 0.0000 64.4071 31.3637 177.5070 38 E 4.1340 8.2377 116.4363 59.3156 29.4337 179.0419 39 T 3.8648 8.2055 111.3948 64.3639 68.9240 176.3281 40 L 3.7385 7.9521 122.8751 57.9333 41.7414 178.6867 41 E 4.1369 7.9210 117.5482 58.7736 29.4347 178.6567 42 K 4.4464 8.1610 117.0588 56.8160 32.9203 177.5471 43 F 4.5448 8.0037 119.2215 55.6154 39.1761 175.6464 44 D 4.4214 8.4451 124.3209 57.2013 40.8101 178.3452 45 R 3.9042 7.8240 117.5352 58.2075 30.2480 177.1972 46 F 5.0627 7.7974 114.6118 56.6636 40.5621 176.8961 47 K 3.7663 8.4003 122.0771 59.7546 31.8032 176.8574 48 H 4.4789 8.1588 111.7154 56.6871 29.1293 175.1878 49 L 4.1947 7.7476 121.9580 54.6750 41.7364 176.6407 50 K 4.3112 9.2981 124.1121 57.4391 33.4661 177.2536 51 T 4.7243 7.2911 107.3287 58.9298 73.1343 174.1636 52 E 3.8897 8.7122 121.3889 59.4448 29.5863 178.7814 53 A 3.9603 7.9449 120.2375 55.3520 18.2768 179.3526 54 E 3.9598 7.8347 115.7749 59.5814 29.8980 179.2357 55 M 4.1415 8.1447 118.8126 58.4622 31.8713 179.0202 56 K 3.9754 8.5069 117.1748 58.8961 32.2701 178.3703 57 A 4.4567 7.4824 118.0986 51.4297 19.1338 176.9227 58 S 4.3661 7.4391 113.8054 57.0259 62.8674 174.4518 59 E 3.9882 8.8642 129.1590 59.2976 29.4358 178.0879 60 D 4.4083 8.0951 117.8238 57.2813 41.4321 177.8122 61 L 3.4763 8.1513 121.0443 57.7949 41.9814 178.8736 62 K 3.9097 7.8783 119.4033 59.2395 32.2530 178.7627 63 K 3.9968 8.4142 120.3095 59.7881 32.1200 178.3246 64 H 4.4446 8.6306 118.7780 59.1816 29.8195 177.4205 65 G 3.6810 8.3498 107.7673 47.7386 0.0000 175.8325 66 V 3.6412 7.7120 120.0577 66.0668 31.5462 178.2508 67 T 3.9014 7.8478 115.1276 66.6005 68.3179 176.7038 68 V 3.6832 8.1762 120.4314 66.2749 31.6464 178.1557 69 L 4.3141 8.1672 118.5650 57.8679 41.5853 179.5189 70 T 3.9954 8.3544 115.9794 66.6749 68.4349 176.4762 71 A 4.0666 8.1573 122.7115 54.9639 18.3446 179.5088 72 L 3.6377 8.1219 119.1194 58.0557 42.1572 179.2300 73 G 3.4488 8.6830 105.8914 47.8704 0.0000 175.4585 74 A 3.9972 7.5667 121.7003 54.7748 18.6369 179.6112 75 I 3.6931 7.4904 118.2725 64.5322 37.2128 178.6279 76 L 3.8921 7.7885 120.1416 57.5897 41.1640 179.2910 77 K 4.0474 7.5536 116.2329 57.7896 32.3938 178.6614 78 K 3.9318 7.8067 118.9323 56.1784 32.5577 176.5806 79 K 2.0000 8.1221 118.2530 56.3951 29.7952 175.8706 80 G 3.9219 7.8700 105.8060 45.6467 0.0000 173.8767 81 H 4.7036 7.3101 119.1729 55.0613 27.3866 174.6696 82 H 5.1979 7.2568 111.4313 54.2013 29.5109 176.1747 83 E 3.9825 8.6131 121.5837 60.3736 28.9661 179.1885 84 A 4.0707 7.9233 118.3815 55.1514 18.3396 179.0736 85 E 4.1256 8.1494 116.8360 59.3931 29.6351 179.0482 86 L 4.3200 8.1895 120.4263 57.6085 42.1074 179.1472 87 K 4.0623 7.8575 118.6035 59.0555 32.2351 177.5732 88 P 4.4010 0.0000 0.0000 65.2225 31.3194 178.2197 89 W 4.0903 7.9441 128.7495 60.4340 30.6303 177.7916 90 A 4.4459 8.6601 120.8556 55.2964 17.8329 179.3608 91 Q 3.8901 8.1936 118.2967 59.3949 29.1270 178.7363 92 S 3.8976 7.8894 115.0083 61.7417 63.1054 176.1431 93 H 3.9033 8.0630 119.3796 57.6083 28.0119 177.6780 94 A 2.7516 7.7023 122.2641 54.4308 18.7207 178.7141 95 T 3.9532 7.4426 108.5515 62.1562 68.2557 175.4442 96 K 4.0094 7.4560 120.4857 58.6678 32.7756 176.9689 97 H 4.3484 7.8304 113.6237 55.3452 29.6097 175.1895 98 K 3.2129 7.3847 117.8043 56.8533 28.4343 174.3675 99 I 4.3240 8.0657 119.0035 58.5351 38.4421 174.7444 100 P 4.5721 0.0000 0.0000 62.2098 32.1644 177.4041 101 I 3.7377 8.2834 121.3531 64.6464 36.8803 178.5761 102 K 3.6697 7.9470 119.9002 59.8414 31.9796 178.2749 103 Y 4.2012 7.9638 116.6056 60.7887 37.8757 178.2123 104 L 4.2888 7.9297 119.7854 57.5694 41.8008 179.0843 105 E 4.0484 8.0436 118.8439 59.4112 29.5070 179.3011 106 F 4.5416 7.9056 117.9219 60.7487 38.9448 177.5811 107 I 3.9443 8.1986 118.0969 63.7262 37.7380 178.1232 108 S 4.2047 8.1150 116.0953 61.5881 62.7094 176.1274 109 E 4.0150 8.4425 121.7593 59.3047 29.4181 178.7387 110 A 4.0598 8.0114 120.5669 55.0795 18.3464 179.7090 111 I 3.7028 8.0434 118.3918 64.7126 37.2033 178.7314 112 I 3.8120 7.8700 120.6582 64.5273 36.9154 177.9488 113 H 4.1202 8.4111 119.0793 59.3914 29.7437 177.5579 114 V 3.5755 7.9026 119.9416 65.9402 31.3263 177.9430 115 L 3.8049 7.9600 118.9362 57.9444 41.0683 179.0034 116 H 4.3525 7.9885 117.3196 59.3423 29.8862 177.0094 117 S 4.1356 7.8195 114.1989 60.9151 62.3205 175.5933 118 R 4.2133 7.8586 118.9568 56.7778 31.5487 176.1515 119 H 5.0534 8.1891 115.9705 54.0033 29.6132 173.1789 120 P 4.3291 0.0000 0.0000 65.8291 31.6484 179.1056 121 G 3.6507 8.1070 106.4068 47.3161 0.0000 173.7026 122 N 4.9649 8.0714 114.9671 53.0086 39.4650 174.9591 123 F 4.8918 7.7944 119.3276 56.2562 39.5117 174.0062 124 G 3.9253 7.6059 109.5585 43.7949 0.0000 171.8707 125 A 3.8837 8.3622 120.6153 55.3716 18.3190 179.6659 126 D 4.1760 7.9486 116.6172 57.4562 40.9948 178.7609 127 A 3.9544 7.7380 120.8186 54.9372 18.3287 179.3430 128 Q 3.1905 7.7355 118.4484 58.8736 29.0351 178.5538 129 G 3.5081 8.1279 106.7833 47.7299 0.0000 175.5395 130 A 3.8537 7.9187 123.1775 54.9917 18.3807 179.4296 131 M 3.9894 8.1228 116.7844 58.6719 32.2601 177.9017 132 N 4.2979 8.4329 117.5581 56.6789 39.0671 176.7711 133 K 3.8405 8.0303 120.7732 59.3155 32.2229 178.6582 134 A 3.7889 7.9299 121.1361 55.1120 18.2065 179.6745 135 L 4.0582 8.1028 117.5430 57.7459 41.6241 179.5291 136 E 3.9351 8.5089 119.0337 59.1716 29.4161 178.8678 137 L 3.9176 8.0976 120.5557 58.2369 42.1520 178.5567 138 F 4.1087 8.2974 120.3116 61.7194 39.1793 177.3731 139 R 3.5372 8.1593 117.5129 58.7683 29.8154 179.0074 140 K 3.8349 8.1373 119.5532 59.7134 32.3087 178.6780 141 D 4.3394 8.0069 119.0964 57.4066 40.6198 178.9081 142 I 3.5134 7.5540 120.1675 63.9569 36.8200 178.2482 143 A 3.8443 8.0781 121.8860 55.1166 18.3123 179.5969 144 A 3.9830 7.9123 119.1586 55.0970 18.4348 180.1145 145 K 4.0179 7.9646 117.0324 59.7431 32.0703 178.9053 146 Y 4.5161 8.4459 117.5435 61.3194 37.9787 178.9914 147 K 3.9801 8.0159 120.1470 59.6880 32.1465 178.6586 148 E 4.0390 7.9375 117.1708 59.2929 29.4750 178.7679 149 L 4.3668 7.9067 116.9698 55.2900 41.9549 177.8188 150 G 3.9567 7.9171 106.7013 45.7052 0.0000 173.2051 151 Y 4.2388 7.9779 120.2808 60.1155 40.2278 177.2486 152 Q 3.1513 7.0728 115.9683 57.3275 26.9006 174.5656 153 G 2.9941 6.7627 115.6262 45.1123 0.0000 170.9663 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 4.45 0.00 2.12 2.11 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 2.53 0.00 1 V 7.92 4.25 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 8.30 4.29 0.00 0.96 0.72 0.58 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.54 4.56 0.00 4.06 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 4 E 8.76 4.27 0.00 2.19 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 0.00 2.43 2.51 0.00 5 G 8.15 3.68 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 0.00 0.00 0.00 6 E 7.80 3.88 0.00 1.98 1.68 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 2.20 2.25 0.00 7 W 8.04 4.38 0.00 3.57 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 8 Q 8.70 4.19 0.00 2.26 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 9 L 7.97 4.05 0.00 1.88 1.74 0.88 0.80 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 10 V 7.85 3.70 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 1.16 0.00 0.00 0.92 0.00 0.00 11 L 8.61 4.26 0.00 1.81 1.80 0.92 0.89 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 12 H 8.61 4.29 0.00 3.37 3.45 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.88 3.90 2.28 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 1.03 0.00 0.00 0.87 0.00 0.00 14 W 8.57 4.03 0.00 3.59 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 15 A 7.92 4.03 1.39 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 0.00 0.00 0.00 0.00 0.00 16 K 7.29 3.96 0.00 1.72 1.74 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.74 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.47 7.81 17 V 7.17 2.87 1.16 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 -0.02 0.00 0.00 0.49 0.00 0.00 18 E 7.49 3.86 0.00 2.00 1.89 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 2.21 1.96 0.00 19 A 7.49 4.24 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 7.87 4.62 0.00 2.68 2.51 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 21 V 8.03 3.46 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 0.97 0.00 0.00 0.85 0.00 0.00 22 A 7.98 4.07 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 23 G 8.20 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.17 4.18 0.00 3.13 3.24 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 8.23 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 3.87 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.73 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 27 D 7.96 4.29 0.00 2.82 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 7.81 3.69 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.81 0.91 0.00 0.00 29 L 7.80 3.56 0.00 1.48 1.06 0.82 0.47 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 30 I 7.72 3.67 1.87 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 1.38 0.64 0.88 0.00 0.00 31 R 7.87 3.77 0.00 1.87 2.10 0.00 3.04 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 1.59 1.61 0.00 32 L 7.73 3.91 0.00 1.77 1.44 1.08 0.92 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 33 F 7.83 4.54 0.00 3.03 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 8.17 4.00 0.00 1.91 1.83 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.55 7.81 35 S 8.02 4.30 0.00 3.75 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 36 H 8.31 4.79 0.00 2.91 3.08 0.00 5.62 0.00 0.00 0.00 0.00 6.86 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 4.77 0.00 2.16 2.11 0.00 3.84 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 2.09 1.99 0.00 38 E 8.24 4.13 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 2.28 2.51 0.00 39 T 8.21 3.86 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 0.93 0.00 0.00 40 L 7.95 3.74 0.00 1.51 1.76 -0.04 0.78 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 41 E 7.92 4.14 0.00 2.26 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 2.38 2.39 0.00 42 K 8.16 4.45 0.00 1.89 1.70 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.73 1.92 7.81 43 F 8.00 4.54 0.00 3.26 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 44 D 8.45 4.42 0.00 2.58 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 45 R 7.82 3.90 0.00 1.24 0.66 0.00 3.03 0.00 0.00 2.93 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.53 0.00 46 F 7.80 5.06 0.00 2.87 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 47 K 8.40 3.77 0.00 2.00 1.91 0.00 1.79 0.00 0.00 1.92 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.49 7.81 48 H 8.16 4.48 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 7.75 4.19 0.00 1.56 1.56 0.80 0.75 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 50 K 9.30 4.31 0.00 1.84 1.84 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.51 7.81 51 T 7.29 4.72 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 1.20 0.00 0.00 52 E 8.71 3.89 0.00 2.04 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 2.36 2.37 0.00 53 A 7.94 3.96 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 54 E 7.83 3.96 0.00 2.11 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 2.34 0.00 55 M 8.14 4.14 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.54 0.00 56 K 8.51 3.98 0.00 1.65 1.85 0.00 1.67 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 1.44 1.63 7.81 57 A 7.48 4.46 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 7.44 4.37 0.00 3.91 3.86 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 0.00 0.00 0.00 59 E 8.86 3.99 0.00 2.14 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 2.39 2.45 0.00 60 D 8.10 4.41 0.00 2.99 3.02 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 61 L 8.15 3.48 0.00 1.26 1.59 0.74 -0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.88 3.91 0.00 1.81 1.94 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.42 7.81 63 K 8.41 4.00 0.00 2.01 2.00 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.50 7.81 64 H 8.63 4.44 0.00 3.65 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 8.35 3.68 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 0.00 0.00 0.00 66 V 7.71 3.64 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 1.13 0.00 0.00 0.98 0.00 0.00 67 T 7.85 3.90 4.47 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 1.32 0.00 0.00 68 V 8.18 3.68 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 1.17 0.00 0.00 1.04 0.00 0.00 69 L 8.17 4.31 0.00 1.81 1.84 0.89 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.35 4.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 71 A 8.16 4.07 1.50 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 72 L 8.12 3.64 0.00 1.68 1.80 0.23 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.68 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 0.00 0.00 0.00 74 A 7.57 4.00 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 7.49 3.69 1.61 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.39 0.63 0.00 0.00 76 L 7.79 3.89 0.00 1.27 1.47 -0.15 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.55 4.05 0.00 1.64 1.77 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.44 1.47 7.81 78 K 7.81 3.93 0.00 1.81 1.77 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.59 1.57 7.81 79 K 8.12 2.00 0.00 1.28 0.74 0.00 1.47 0.00 0.00 1.42 0.00 0.00 2.72 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.38 0.83 7.81 80 G 7.87 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 81 H 7.31 4.70 0.00 3.15 3.22 0.00 5.80 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 7.26 5.20 0.00 3.24 3.41 0.00 5.67 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.61 3.98 0.00 2.10 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 2.42 2.49 0.00 84 A 7.92 4.07 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 85 E 8.15 4.13 0.00 2.24 2.03 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 2.39 2.44 0.00 86 L 8.19 4.32 0.00 2.02 1.72 0.89 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.86 4.06 0.00 1.91 1.90 0.00 1.76 0.00 0.00 1.89 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.51 7.81 88 P 0.00 4.40 0.00 2.35 2.37 0.00 3.94 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.10 0.00 89 W 7.94 4.09 0.00 3.67 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 90 A 8.66 4.45 1.67 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 91 Q 8.19 3.89 0.00 2.19 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 92 S 7.89 3.90 0.00 3.89 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 93 H 8.06 3.90 0.00 2.53 3.07 0.00 5.80 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 7.70 2.75 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 7.44 3.95 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 1.11 0.00 0.00 96 K 7.46 4.01 0.00 1.50 1.58 0.00 1.56 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.18 1.20 7.81 97 H 7.83 4.35 0.00 2.89 3.05 0.00 5.86 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 98 K 7.38 3.21 0.00 1.74 1.76 0.00 1.36 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.26 1.21 7.81 99 I 8.07 4.32 2.03 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 1.42 0.91 1.17 0.00 0.00 100 P 0.00 4.57 0.00 1.97 1.99 0.00 3.28 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 0.83 1.39 0.00 101 I 8.28 3.74 1.85 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.97 0.86 0.00 0.00 102 K 7.95 3.67 0.00 1.73 1.65 0.00 1.12 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 0.93 7.81 103 Y 7.96 4.20 0.00 3.28 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 0.00 104 L 7.93 4.29 0.00 1.91 1.79 0.99 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.04 4.05 0.00 2.12 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 2.34 2.33 0.00 106 F 7.91 4.54 0.00 3.19 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 0.00 107 I 8.20 3.94 2.06 0.00 0.00 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 1.63 1.43 1.14 0.00 0.00 108 S 8.12 4.20 0.00 4.22 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 0.00 109 E 8.44 4.01 0.00 2.18 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 2.39 2.42 0.00 110 A 8.01 4.06 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 0.00 111 I 8.04 3.70 2.09 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.75 1.03 0.00 0.00 112 I 7.87 3.81 2.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.80 1.13 0.00 0.00 113 H 8.41 4.12 0.00 3.37 3.48 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.90 3.58 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 0.99 0.00 0.00 115 L 7.96 3.80 0.00 0.56 0.55 0.76 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 0.00 116 H 7.99 4.35 0.00 3.47 3.64 0.00 5.95 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.82 4.14 0.00 3.81 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 0.00 118 R 7.86 4.21 0.00 1.68 1.61 0.00 3.15 0.00 0.00 3.00 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 119 H 8.19 5.05 0.00 3.20 3.19 0.00 5.63 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 4.33 0.00 2.21 2.26 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.94 0.00 121 G 8.11 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 0.00 122 N 8.07 4.96 0.00 2.81 2.94 0.00 0.00 6.66 7.06 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 0.00 123 F 7.79 4.89 0.00 2.93 3.01 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 0.00 0.00 0.00 0.00 124 G 7.61 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.36 3.88 1.27 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 0.00 0.00 126 D 7.95 4.18 0.00 2.64 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 0.00 127 A 7.74 3.95 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 7.74 3.19 0.00 1.22 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 129 G 8.13 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 0.00 130 A 7.92 3.85 1.27 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 0.00 0.00 131 M 8.12 3.99 0.00 2.40 2.36 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.88 0.00 132 N 8.43 4.30 0.00 2.91 2.91 0.00 0.00 6.86 8.07 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 0.00 133 K 8.03 3.84 0.00 1.88 1.78 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.25 1.35 7.81 134 A 7.93 3.79 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 8.10 4.06 0.00 1.75 1.80 0.99 0.74 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 0.00 136 E 8.51 3.94 0.00 2.11 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 2.54 0.00 137 L 8.10 3.92 0.00 1.83 1.95 1.01 1.38 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 0.00 138 F 8.30 4.11 0.00 3.05 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 0.00 139 R 8.16 3.54 0.00 1.81 1.84 0.00 3.16 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.93 0.00 140 K 8.14 3.83 0.00 1.83 2.01 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.41 1.45 7.81 141 D 8.01 4.34 0.00 2.81 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 0.00 142 I 7.55 3.51 1.27 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 -0.36 0.26 0.00 0.00 143 A 8.08 3.84 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 0.00 144 A 7.91 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 0.00 145 K 7.96 4.02 0.00 2.07 2.00 0.00 1.78 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.69 7.81 146 Y 8.45 4.52 0.00 3.26 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.02 3.98 0.00 1.81 2.04 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.50 7.81 148 E 7.94 4.04 0.00 2.31 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 0.00 2.38 2.54 0.00 149 L 7.91 4.37 0.00 1.95 1.74 1.03 0.87 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 0.00 150 G 7.92 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 7.98 4.24 0.00 2.58 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 0.00 152 Q 7.07 3.15 0.00 2.14 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 153 G 6.76 2.99 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 0.00 0.00 0.00