NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3466 8.1933 116.7493 59.3408 65.1770 169.1478 2 I 3.1194 8.4929 131.5286 60.3224 34.3596 171.3128 3 G 4.1769 8.8210 116.0349 44.8022 0.0000 171.6197 4 V 4.5667 8.8421 128.7634 60.8131 32.2965 175.5365 5 F 5.1721 9.9184 126.5974 56.6826 40.1404 174.6457 6 Y 5.2218 8.9688 122.3739 55.4780 41.3260 173.8540 7 V 4.4927 9.0540 118.7433 61.1397 33.3887 176.5136 8 S 4.4763 9.3300 124.1798 60.8377 62.3147 174.4063 9 E 4.2714 7.3062 120.5212 58.0351 30.0146 175.0997 10 Y 4.0116 7.9361 119.0758 58.1717 39.7662 176.9187 11 G 3.7655 7.8149 116.5201 46.2215 0.0000 173.2794 12 Y 4.4626 8.4317 118.1176 58.1807 37.9794 176.6943 13 S 4.2484 7.6927 117.6637 61.8785 62.3067 176.1532 14 D 4.3106 8.2142 121.0257 56.6602 39.3227 178.6705 15 R 4.0054 8.0365 119.1438 58.7214 30.2594 178.8157 16 L 3.6082 8.2548 119.0695 57.6391 41.5705 179.3436 17 A 3.8375 7.9883 120.7115 55.0403 18.0719 179.3610 18 Q 3.7865 8.0404 117.8776 59.2640 29.1196 178.3649 19 A 3.9958 7.9934 121.6886 55.3445 18.4483 179.6195 20 I 3.5252 7.5432 117.8932 64.4206 37.2106 178.4186 21 I 3.6006 8.0337 119.6165 64.2849 37.8465 177.5571 22 N 4.8699 7.9205 119.6055 56.0922 38.2441 176.9824 23 G 3.6331 8.0589 107.2146 47.8756 0.0000 175.6078 24 I 3.9657 7.7531 122.0191 63.8410 37.3771 178.5432 25 T 3.8628 8.3450 111.3337 64.5303 68.4191 176.4925 26 K 3.8569 8.1855 122.0469 59.6674 32.2419 178.5130 27 T 4.0501 7.3118 113.8438 66.6975 69.7940 174.5073 28 G 4.1850 7.4743 109.3753 46.2417 0.0000 172.1187 29 V 4.0604 7.3611 119.1095 62.1460 34.8906 174.8484 30 G 4.0637 8.0705 112.5552 45.2402 0.0000 172.6927 31 V 5.3062 8.0715 124.9120 60.3905 33.9365 174.6460 32 D 4.9124 8.9304 126.5206 53.3875 42.9053 175.6819 33 V 4.8902 8.2583 114.4621 59.6773 34.5118 175.4467 34 V 4.4000 8.5421 124.1751 60.4673 34.6636 173.8431 35 D 5.2981 8.7096 128.1812 52.4394 40.4603 177.1390 36 L 4.1527 8.6680 125.0554 57.5431 40.9111 178.3725 37 G 4.0455 7.8578 106.8839 44.6860 0.0000 173.0160 38 A 4.6012 7.1524 121.9258 52.7078 26.3000 177.8645 39 A 4.4894 7.6220 116.9900 51.8412 18.9286 177.9381 40 V 3.6900 7.1648 113.8310 63.6065 30.5920 174.9769 41 D 4.7365 8.0547 123.1893 51.1244 44.8436 175.5419 42 L 3.9752 8.3631 122.2396 58.5308 41.5971 178.8793 43 Q 4.0839 8.3501 117.3097 58.9848 28.4089 178.7512 44 E 3.9660 8.1900 119.5054 59.4608 29.6576 179.3241 45 L 4.0567 7.9248 118.5437 57.6352 41.3680 179.3230 46 R 3.8895 8.4371 119.1752 59.5603 29.9884 178.2628 47 E 3.8085 7.9592 119.1660 59.1325 29.1165 178.3663 48 L 4.0598 8.1744 120.4804 57.9593 41.7854 179.2631 49 V 3.7225 7.4393 117.2865 66.0863 31.6411 178.0318 50 G 3.7734 7.4812 103.6579 47.3156 0.0000 174.9468 51 R 4.4755 8.2953 118.9566 55.8116 30.0359 177.7930 52 C 4.2273 7.7743 115.0207 60.6458 29.7446 175.6620 53 T 3.9744 8.1001 111.5204 64.3445 69.5230 174.3970 54 G 4.4766 7.7684 108.3143 45.2895 0.0000 172.4693 55 L 5.6958 9.3159 123.5032 52.9145 46.7437 175.7948 56 V 5.0362 9.3368 120.1744 61.6744 35.0965 173.9220 57 I 4.8504 8.7829 128.6056 58.4061 40.2032 173.8666 58 G 3.2635 7.9260 115.7934 45.9232 0.0000 176.0962 59 M 4.4179 8.5002 123.6315 54.3650 32.4100 175.7009 60 S 4.5305 8.3251 114.7599 55.9081 63.0486 170.8098 61 P 4.4733 0.0000 0.0000 62.0248 32.7942 176.1454 62 A 3.9093 8.6437 124.2923 55.5430 18.0491 179.6880 63 A 3.8671 7.8215 116.9766 55.7259 18.5966 179.5711 64 S 4.1659 7.8088 112.5350 61.2588 62.9568 176.3271 65 A 3.9334 8.2906 123.8439 55.1626 17.7707 179.5571 66 A 3.9173 7.5025 119.0710 55.2071 18.5655 178.7683 67 S 4.4125 7.9268 110.1677 59.9539 63.4784 175.3543 68 I 4.0599 7.3289 121.3605 63.0310 37.5922 177.9173 69 Q 3.9568 8.4847 119.0734 59.1568 28.8183 178.7347 70 G 3.6174 8.1707 105.7366 48.5805 0.0000 175.3701 71 A 3.9969 8.0880 122.8024 54.4859 18.2610 179.0257 72 L 3.8305 8.2935 119.1883 58.5476 41.8190 179.4426 73 S 4.1004 7.6225 113.3823 62.0757 63.1837 176.5665 74 T 4.0184 7.8595 117.7623 66.5320 68.2116 176.5478 75 I 3.7831 7.8831 123.2227 63.9345 36.9745 178.3781 76 L 4.0437 7.7958 118.3358 57.7048 41.4169 179.4942 77 G 3.7697 7.6787 104.6671 47.0492 0.0000 175.9084 78 S 4.2927 7.7860 116.0546 60.4793 63.7614 174.7919 79 V 3.8697 7.2988 116.9961 60.7452 32.2789 175.6947 80 N 4.6341 8.5219 118.2478 53.4297 40.4267 174.5441 81 E 3.8989 9.5587 122.7079 56.7030 28.6625 175.5284 82 K 4.4094 5.6768 110.2449 56.2114 34.9161 176.0974 83 Q 4.6021 7.6061 118.9917 56.9953 30.4515 175.0789 84 A 4.7671 8.4128 121.2552 51.5855 20.6132 177.4113 85 V 4.5825 9.0286 114.9285 59.3807 34.6486 174.9445 86 G 4.1941 9.3510 115.0233 45.9769 0.0000 168.6071 87 I 5.2369 8.0172 123.9427 60.3163 38.0108 175.0209 88 F 5.0216 8.1097 122.3042 54.6495 40.2518 174.5685 89 E 4.1891 8.9334 123.8710 56.6068 30.0018 176.5563 90 T 4.5366 8.4212 116.4162 62.3965 71.3021 173.3806 91 G 3.7733 8.5587 106.1894 46.1911 0.0000 174.9894 92 G 3.8989 8.6280 115.8151 44.0580 0.0000 171.9610 93 G 4.7091 7.5612 109.4813 46.7124 0.0000 169.4414 94 D 5.1542 8.1173 124.3651 51.3396 42.5406 175.7020 95 D 4.9454 8.0936 116.9980 52.1717 44.0089 176.1890 96 E 3.9290 9.0563 126.0537 59.5228 29.2120 177.9625 97 P 4.3311 0.0000 0.0000 64.8735 31.3306 178.1644 98 I 3.5592 7.9838 118.4265 63.9542 37.8488 177.2895 99 D 4.3386 7.9872 119.4823 57.1537 40.5105 176.8099 100 P 4.2629 0.0000 0.0000 65.9420 31.5576 178.2764 101 L 4.1209 7.5735 117.1201 57.7239 41.5033 179.3824 102 L 4.3204 8.4042 119.4599 58.0278 41.4814 179.4629 103 S 4.0986 8.6235 113.4345 61.1699 62.0917 176.6047 104 K 3.8522 7.9277 121.2695 59.5125 31.7122 179.2701 105 F 4.0903 7.9257 117.5040 60.5409 38.5594 177.4429 106 R 3.8938 8.2329 117.8423 59.4893 30.0432 178.0227 107 N 4.4550 8.3221 115.6399 56.5403 38.8180 177.4507 108 L 4.0786 8.0457 119.0861 55.2294 42.9264 176.9905 109 G 3.7348 7.5884 106.1569 46.1148 0.0000 173.0710 110 L 4.4121 7.4052 117.4279 54.1638 44.1856 179.5866 111 T 3.9798 8.4417 118.5457 64.0161 67.5471 174.2277 112 T 4.7553 8.3344 115.8497 60.2883 70.7009 174.7902 113 A 4.5836 7.9086 125.3592 50.5710 21.4503 175.7723 114 F 4.0511 8.8412 119.2258 58.2479 39.2322 174.1403 115 P 4.2103 0.0000 0.0000 61.3619 30.9598 175.5890 116 A 4.0609 7.8473 126.7258 50.6776 20.2510 176.0087 117 I 4.1377 7.4769 117.8486 59.7466 39.0036 173.4922 118 R 3.7210 8.6602 128.3738 56.8311 26.8538 176.4996 119 I 4.0742 7.9047 125.0216 60.4287 35.3181 175.9620 120 K 3.6984 7.5094 121.9532 55.5368 33.2652 175.0385 121 Q 4.5560 7.8844 126.5891 56.5794 32.3282 173.9259 122 T 4.4866 7.9396 108.6850 59.1660 69.4713 172.6113 123 P 4.1379 0.0000 0.0000 63.0960 31.9062 176.0779 124 T 4.4669 8.0743 112.4382 59.4304 71.7001 174.7744 125 E 3.9804 8.6793 119.9353 59.8418 29.1257 179.3030 126 N 4.3538 7.8829 115.0412 56.6525 38.5997 177.3439 127 T 3.8812 7.9011 117.0056 66.9118 68.4596 176.0802 128 Y 3.9105 8.1365 117.9116 61.1711 37.4409 178.8532 129 K 3.9599 8.1006 118.9443 59.2866 31.9703 179.4839 130 L 3.9841 8.1068 119.4303 57.6429 41.5690 179.0051 131 C 3.6624 8.3015 117.0335 62.6392 27.9744 175.7157 132 E 3.8141 8.2159 120.7747 59.2584 29.1903 178.3577 133 E 3.8287 7.7431 117.9143 59.3606 29.7052 178.6311 134 A 4.0585 8.2886 121.2069 54.9379 18.3777 179.8029 135 G 3.5163 8.2292 104.3797 48.3616 0.0000 176.0407 136 T 3.8745 8.0872 119.0308 66.2041 68.2254 176.2021 137 D 4.7907 8.0848 120.4364 56.7352 41.5414 177.7627 138 L 4.2760 8.3517 121.2161 58.2252 42.0541 179.1313 139 G 3.7729 8.4023 105.7483 48.0611 0.0000 175.6176 140 Q 4.0372 8.3800 120.1124 58.0930 28.6256 178.7618 141 W 4.1720 8.1868 129.8386 60.4559 30.8134 178.1192 142 V 3.2768 8.1306 117.7367 66.1463 30.9715 177.6137 143 T 3.7419 8.1125 112.8142 65.3656 66.7716 176.3102 144 R 3.8332 7.4495 118.5051 59.0769 29.9134 178.6416 145 D 4.0407 7.7131 117.7397 57.2286 41.0465 177.9049 146 R 4.0891 7.8236 116.5145 57.4139 30.2490 176.6680 147 L 4.2936 7.6017 118.7787 54.5460 41.7599 175.4398 148 E 3.5654 8.4207 116.2325 56.8764 28.0691 173.3844 149 H 4.1188 7.1045 114.8934 56.1521 30.1134 174.1516 150 H 4.9513 7.9091 115.2021 56.1430 29.0889 176.1383 151 H 4.2650 7.7544 120.9145 57.9246 29.8412 174.5407 152 H 4.7305 7.9216 117.7216 54.1670 31.2124 172.2869 153 H 4.2990 8.5514 126.9991 56.7777 30.4750 174.4819 154 H 4.2413 8.0766 123.8357 56.7920 29.4899 173.1432 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 S 8.19 4.35 0.00 3.93 3.88 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 2 I 8.49 3.12 1.92 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 1.42 0.27 0.99 0.00 0.00 3 G 8.82 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 8.84 4.57 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.11 0.00 0.00 5 F 9.92 5.17 0.00 3.15 3.08 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 6 Y 8.97 5.22 0.00 3.15 3.12 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 7 V 9.05 4.49 2.24 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 1.07 0.00 0.00 1.03 0.00 0.00 8 S 9.33 4.48 0.00 4.10 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 9 E 7.31 4.27 0.00 2.17 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.27 0.00 10 Y 7.94 4.01 0.00 3.05 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 11 G 7.81 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 0.00 0.00 0.00 12 Y 8.43 4.46 0.00 3.00 3.03 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 13 S 7.69 4.25 0.00 4.15 4.32 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 14 D 8.21 4.31 0.00 3.02 3.27 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 15 R 8.04 4.01 0.00 2.25 2.38 0.00 3.40 0.00 0.00 3.41 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.89 0.00 16 L 8.25 3.61 0.00 1.81 1.49 1.01 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 17 A 7.99 3.84 0.75 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 0.00 0.00 18 Q 8.04 3.79 0.00 2.08 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 19 A 7.99 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.54 3.53 1.92 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.01 0.87 0.00 0.00 21 I 8.03 3.60 1.82 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 1.39 1.44 0.90 0.00 0.00 22 N 7.92 4.87 0.00 2.84 2.89 0.00 0.00 6.62 8.68 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 23 G 8.06 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 24 I 7.75 3.97 1.87 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 1.58 0.77 0.92 0.00 0.00 25 T 8.35 3.86 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 1.28 0.00 0.00 26 K 8.19 3.86 0.00 1.90 2.03 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.63 7.81 27 T 7.31 4.05 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 1.20 0.00 0.00 28 G 7.47 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 0.00 0.00 0.00 0.00 29 V 7.36 4.06 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 0.94 0.00 0.00 0.93 0.00 0.00 30 G 8.07 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 31 V 8.07 5.31 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 1.15 0.00 0.00 0.93 0.00 0.00 32 D 8.93 4.91 0.00 2.61 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 8.26 4.89 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.99 0.00 0.00 34 V 8.54 4.40 1.10 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 1.19 0.00 0.00 0.61 0.00 0.00 35 D 8.71 5.30 0.00 2.49 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.67 4.15 0.00 1.80 2.05 0.93 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 37 G 7.86 4.05 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 0.00 38 A 7.15 4.60 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 39 A 7.62 4.49 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 40 V 7.16 3.69 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 0.75 0.00 0.00 0.97 0.00 0.00 41 D 8.05 4.74 0.00 2.68 2.45 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 42 L 8.36 3.98 0.00 1.71 1.67 0.93 1.32 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 43 Q 8.35 4.08 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 44 E 8.19 3.97 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 2.46 2.51 0.00 45 L 7.92 4.06 0.00 1.86 1.75 0.94 0.90 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 46 R 8.44 3.89 0.00 1.94 2.11 0.00 3.26 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 47 E 7.96 3.81 0.00 2.07 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 0.00 2.29 2.35 0.00 48 L 8.17 4.06 0.00 2.02 1.96 1.19 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 49 V 7.44 3.72 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 0.84 0.00 0.00 1.06 0.00 0.00 50 G 7.48 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 0.00 0.00 0.00 51 R 8.30 4.48 0.00 1.91 1.98 0.00 3.40 0.00 0.00 3.36 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 52 C 7.77 4.23 0.00 3.20 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.10 3.97 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 1.24 0.00 0.00 54 G 7.77 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 L 9.32 5.70 0.00 1.80 1.77 1.06 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 56 V 9.34 5.04 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 1.20 0.00 0.00 1.05 0.00 0.00 57 I 8.78 4.85 1.67 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.28 0.75 0.00 0.00 58 G 7.93 3.26 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 0.00 59 M 8.50 4.42 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 60 S 8.33 4.53 0.00 3.94 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 61 P 0.00 4.47 0.00 1.90 1.84 0.00 3.56 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 62 A 8.64 3.91 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 63 A 7.82 3.87 1.10 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 0.00 0.00 64 S 7.81 4.17 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 65 A 8.29 3.93 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 66 A 7.50 3.92 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 67 S 7.93 4.41 0.00 3.96 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.33 4.06 1.97 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 1.54 0.93 0.88 0.00 0.00 69 Q 8.48 3.96 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.05 0.00 0.00 0.00 0.00 0.00 2.65 2.32 0.00 70 G 8.17 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 0.00 0.00 0.00 71 A 8.09 4.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.29 3.83 0.00 1.83 1.82 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 73 S 7.62 4.10 0.00 4.00 3.90 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 0.00 0.00 0.00 74 T 7.86 4.02 4.38 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 1.23 0.00 0.00 75 I 7.88 3.78 2.01 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.38 0.88 0.00 0.00 76 L 7.80 4.04 0.00 1.74 1.69 0.86 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.68 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 0.00 0.00 0.00 78 S 7.79 4.29 0.00 4.09 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 79 V 7.30 3.87 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 0.76 0.00 0.00 0.97 0.00 0.00 80 N 8.52 4.63 0.00 2.91 2.92 0.00 0.00 6.09 7.68 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 81 E 9.56 3.90 0.00 2.13 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 0.00 2.23 2.41 0.00 82 K 5.68 4.41 0.00 1.92 1.86 0.00 1.81 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.53 7.81 83 Q 7.61 4.60 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.01 0.00 0.00 0.00 0.00 0.00 2.71 2.65 0.00 84 A 8.41 4.77 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 85 V 9.03 4.58 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 0.87 0.00 0.00 0.97 0.00 0.00 86 G 9.35 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 0.00 0.00 0.00 0.00 87 I 8.02 5.24 1.71 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.28 0.68 0.00 0.00 88 F 8.11 5.02 0.00 3.01 2.98 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 89 E 8.93 4.19 0.00 1.94 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 2.34 2.38 0.00 90 T 8.42 4.54 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 1.20 0.00 0.00 91 G 8.56 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 0.00 0.00 0.00 92 G 8.63 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 93 G 7.56 4.71 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 0.00 0.00 0.00 94 D 8.12 5.15 0.00 2.76 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 95 D 8.09 4.95 0.00 2.70 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 9.06 3.93 0.00 2.03 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 0.00 2.40 2.43 0.00 97 P 0.00 4.33 0.00 2.13 2.10 0.00 3.72 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 2.20 2.15 0.00 98 I 7.98 3.56 1.90 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 1.47 1.32 0.98 0.00 0.00 99 D 7.99 4.34 0.00 2.76 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 0.00 100 P 0.00 4.26 0.00 2.00 2.13 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.19 0.00 101 L 7.57 4.12 0.00 2.02 1.86 1.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 102 L 8.40 4.32 0.00 1.85 1.76 0.89 0.58 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 0.00 103 S 8.62 4.10 0.00 3.85 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 0.00 104 K 7.93 3.85 0.00 1.57 1.56 0.00 1.62 0.00 0.00 1.45 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.35 1.67 7.81 105 F 7.93 4.09 0.00 3.16 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.23 3.89 0.00 1.92 2.16 0.00 3.31 0.00 0.00 3.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 107 N 8.32 4.46 0.00 2.72 2.84 0.00 0.00 7.18 7.38 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 0.00 108 L 8.05 4.08 0.00 1.67 1.70 0.88 1.09 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 0.00 109 G 7.59 3.73 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 0.00 0.00 0.00 110 L 7.41 4.41 0.00 1.70 1.68 1.02 1.00 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 0.00 111 T 8.44 3.98 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 -0.01 0.00 0.00 112 T 8.33 4.76 4.15 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 1.22 0.00 0.00 113 A 7.91 4.58 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 0.00 114 F 8.84 4.05 0.00 2.94 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.21 0.00 2.01 1.91 0.00 3.37 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 116 A 7.85 4.06 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 0.00 117 I 7.48 4.14 1.81 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 1.39 0.96 0.88 0.00 0.00 118 R 8.66 3.72 0.00 1.97 1.95 0.00 3.24 0.00 0.00 3.21 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 119 I 7.90 4.07 1.90 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 1.33 0.85 0.94 0.00 0.00 120 K 7.51 3.70 0.00 1.92 1.65 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.85 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.42 7.81 121 Q 7.88 4.56 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.70 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 122 T 7.94 4.49 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 1.27 0.00 0.00 123 P 0.00 4.14 0.00 1.91 2.00 0.00 4.00 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 124 T 8.07 4.47 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 1.24 0.00 0.00 125 E 8.68 3.98 0.00 1.99 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 2.20 2.33 0.00 126 N 7.88 4.35 0.00 2.83 2.89 0.00 0.00 6.96 6.93 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 0.00 127 T 7.90 3.88 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 1.18 0.00 0.00 128 Y 8.14 3.91 0.00 3.13 2.97 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 0.00 129 K 8.10 3.96 0.00 2.00 1.84 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.69 7.81 130 L 8.11 3.98 0.00 1.89 1.73 0.94 0.94 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 0.00 131 C 8.30 3.66 0.00 2.82 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 0.00 132 E 8.22 3.81 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 133 E 7.74 3.83 0.00 2.06 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 2.25 2.40 0.00 134 A 8.29 4.06 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 0.00 135 G 8.23 3.52 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 0.00 0.00 0.00 136 T 8.09 3.87 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 0.00 137 D 8.08 4.79 0.00 2.74 2.87 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 0.00 138 L 8.35 4.28 0.00 1.91 1.89 0.85 1.40 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 0.00 139 G 8.40 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 0.00 0.00 0.00 140 Q 8.38 4.04 0.00 2.38 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.66 0.00 141 W 8.19 4.17 0.00 3.44 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 0.00 142 V 8.13 3.28 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 1.16 0.00 0.00 1.37 0.00 0.00 143 T 8.11 3.74 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 1.26 0.00 0.00 144 R 7.45 3.83 0.00 1.82 1.87 0.00 3.18 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.82 0.00 145 D 7.71 4.04 0.00 1.95 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 0.00 146 R 7.82 4.09 0.00 1.80 1.84 0.00 3.27 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 147 L 7.60 4.29 0.00 1.95 1.59 0.95 0.76 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 0.00 148 E 8.42 3.57 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 149 H 7.10 4.12 0.00 3.24 3.15 0.00 5.99 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 0.00 150 H 7.91 4.95 0.00 3.22 3.29 0.00 5.77 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 H 7.75 4.26 0.00 3.06 3.57 0.00 5.89 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 0.00 152 H 7.92 4.73 0.00 3.13 3.17 0.00 5.79 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 8.55 4.30 0.00 3.10 3.12 0.00 5.82 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 0.00 154 H 8.08 4.24 0.00 3.09 3.07 0.00 5.81 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00