NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3935 8.3349 115.4126 57.8500 64.3339 172.7513 2 L 4.3487 8.1970 121.4390 52.0647 42.0812 176.5243 3 S 4.4530 9.4291 120.6217 57.6998 66.1942 174.6913 4 D 4.3115 8.5277 121.3179 57.3648 40.4870 178.7163 5 K 3.8048 8.1244 119.5401 59.9460 32.0880 178.2571 6 D 4.4920 8.1136 120.2145 56.7096 40.7090 178.9587 7 K 3.8945 8.3329 119.1468 59.2359 32.0082 179.0637 8 A 3.8973 8.4782 121.0986 55.1816 18.3312 179.2176 9 A 3.9012 7.8892 118.9968 55.5785 18.4639 179.9810 10 V 3.4243 7.7275 116.3656 66.2210 31.4805 178.4798 11 R 3.9040 7.9836 117.5714 59.0175 29.7872 178.9142 12 A 3.9456 8.3845 121.0652 55.0834 18.3957 179.3856 13 L 3.8673 7.8917 118.9247 58.1562 42.0814 179.0479 14 W 4.0936 8.2644 128.4308 60.1168 30.4048 178.1527 15 S 4.0520 7.9655 113.5554 60.8173 62.5405 176.2704 16 K 4.0666 7.5072 121.8112 58.1531 32.2158 178.1598 17 I 3.8664 7.3000 110.9544 60.1908 38.5858 177.4900 18 G 2.1171 7.0922 108.7602 47.3277 0.0000 175.4929 19 K 3.8969 7.6141 119.3756 59.4424 32.4841 178.0189 20 S 4.7028 7.9044 115.4021 58.4702 63.4001 175.9302 21 S 4.1645 7.8250 119.9328 61.8379 61.9650 175.9799 22 D 4.3446 8.0646 120.7582 57.2176 40.6396 178.4147 23 A 3.9739 7.9226 120.7761 55.2102 18.4343 179.3660 24 I 3.7863 8.1060 118.6923 64.5648 37.1900 178.9393 25 G 3.5868 8.3825 106.4384 47.8588 0.0000 175.2150 26 N 4.3023 8.0967 120.1958 56.2449 38.8887 176.3915 27 D 4.2764 8.3553 119.2084 57.2414 41.3599 177.9292 28 A 4.0130 8.2888 121.5677 55.4128 18.4401 179.7032 29 L 4.0093 8.1184 117.4323 57.7952 41.5121 179.8025 30 S 4.0886 8.2085 115.1887 61.8094 62.7666 176.7371 31 R 3.9710 8.3239 120.9455 59.6279 29.8391 178.5473 32 M 4.2243 8.1851 117.9438 58.9276 31.8973 178.3215 33 I 3.9833 7.8881 112.3757 63.1356 37.5823 178.2610 34 V 3.6714 7.2917 119.9814 66.0578 31.6943 177.9104 35 V 3.7415 8.0499 116.5409 64.3514 32.9040 175.5991 36 Y 4.7754 8.1313 115.9650 54.3594 38.2708 173.7654 37 P 4.6136 0.0000 0.0000 64.7586 31.3490 177.7897 38 Q 4.0670 8.2842 116.1264 59.1224 28.1152 177.9897 39 T 4.3824 8.2344 110.5959 63.1883 68.9963 176.3994 40 K 4.4927 8.5267 122.8395 59.1173 31.8167 178.6962 41 I 3.6071 7.4275 113.3138 64.4119 36.9083 177.2088 42 Y 4.0594 7.1660 114.2829 58.8768 37.8268 176.1343 43 F 4.4579 8.3011 118.5770 56.9541 40.3432 176.3088 44 S 4.3404 7.7823 112.7080 59.2816 62.2069 174.0881 45 H 4.9872 7.6518 114.0832 55.1235 28.7651 173.1509 46 W 5.2564 7.9266 119.8529 54.9945 31.5137 173.8959 47 P 4.8659 0.0000 0.0000 62.8523 31.2619 177.1642 48 D 4.7152 7.4474 115.5983 53.2931 40.4228 176.7467 49 V 4.1884 7.4775 120.9981 60.1726 31.0672 176.0633 50 T 4.5774 7.2565 108.1520 59.5577 71.3897 172.2645 51 P 4.1759 0.0000 0.0000 63.0199 31.9722 175.9520 52 G 3.8783 8.5912 105.4196 46.3911 0.0000 173.9193 53 S 4.3706 7.3736 112.8285 56.2719 63.4686 173.0404 54 P 3.9687 0.0000 0.0000 66.2255 30.6441 178.3462 55 N 3.8885 8.1054 116.0083 55.5780 38.1225 177.5831 56 I 3.4364 7.2877 120.6549 63.9184 37.3216 178.4610 57 K 4.0003 8.8551 120.7485 59.4165 31.8260 178.8544 58 A 4.0292 8.0583 121.4088 55.2599 18.3680 178.9791 59 H 4.3415 9.4172 116.4935 59.2277 30.0420 177.7815 60 G 3.7453 7.9724 107.3010 47.8634 0.0000 175.5226 61 K 3.9715 7.8473 120.6015 59.3578 32.1762 179.6414 62 K 4.0608 8.2349 118.6534 59.2659 31.9295 179.7151 63 V 3.5727 8.2604 119.0254 66.3572 31.4518 178.0482 64 M 4.3644 8.4462 118.1097 57.7066 31.8589 178.9452 65 G 3.7258 8.1528 106.8225 47.6016 0.0000 176.1349 66 G 3.5792 8.1422 108.0765 47.5649 0.0000 175.9681 67 I 3.4650 7.7002 121.9769 63.9668 37.0609 178.3632 68 A 3.4686 8.1074 121.8903 54.8236 18.1978 179.4890 69 L 3.8121 7.8036 118.3616 58.3113 42.0093 178.9521 70 A 4.0395 8.3027 120.0114 55.1467 18.5219 179.5880 71 V 3.5392 7.6976 117.0788 66.1238 31.4002 178.5365 72 S 4.2447 7.7931 112.5559 60.3970 62.9956 175.5223 73 K 4.4947 8.0186 121.4326 56.0516 32.1192 177.9105 74 I 3.8043 7.4353 122.3609 64.0785 37.8942 176.6116 75 D 4.5798 7.9718 117.4994 55.2698 41.2732 176.1306 76 D 4.5896 7.8367 113.9297 52.2602 43.6881 175.7921 77 L 3.9304 7.9286 124.4522 57.0136 41.6688 178.1788 78 K 3.8382 8.0173 119.0068 60.1617 31.8480 178.7602 79 T 3.9779 8.5347 114.8252 66.5009 68.4446 176.9432 80 G 3.7696 8.3658 107.2454 46.5484 0.0000 174.2939 81 L 4.7195 8.3038 120.2997 54.5908 42.6994 178.2724 82 M 3.9880 7.7170 121.8388 58.5449 31.5274 178.2785 83 E 3.8924 8.0863 116.9899 59.4314 29.9548 178.7329 84 L 4.0867 7.8382 119.5972 58.1779 42.1730 178.4121 85 S 4.3627 8.0663 114.5982 60.9712 62.0809 176.0311 86 E 3.7202 8.1174 121.4824 58.9190 28.7185 178.6600 87 Q 3.9617 7.8844 117.8995 59.5292 28.8536 178.7250 88 H 4.5421 8.3364 115.9314 57.5538 28.6786 177.0336 89 A 3.5163 8.6045 124.6443 54.0141 17.4906 179.0104 90 Y 4.0963 5.8294 117.7375 59.4427 38.3807 177.2688 91 K 4.1831 7.3306 120.2517 58.4700 33.1762 177.6764 92 L 3.9050 9.5812 121.4345 57.3180 42.4966 178.0786 93 R 3.7133 8.0315 113.6588 56.3499 27.2014 176.5947 94 V 3.9876 7.2858 116.2570 60.7579 33.4092 174.7149 95 D 4.4949 9.0286 127.5255 53.9240 41.6883 175.3567 96 P 3.7795 0.0000 0.0000 65.3870 31.3532 178.6990 97 S 4.1295 8.2265 113.0968 61.3789 62.5916 176.3475 98 N 4.3756 7.9866 120.1767 55.8775 38.1341 177.2362 99 F 4.3905 7.5826 119.5507 60.6150 38.9601 177.7056 100 K 4.0885 8.1029 117.5568 59.4100 31.8446 179.3631 101 I 3.3838 7.1720 118.7673 64.1338 36.9573 178.2011 102 L 3.9564 8.0688 121.3739 58.1363 42.0353 178.6041 103 N 4.2961 8.6057 116.8644 56.5931 38.6172 176.5975 104 H 4.1391 8.1844 119.4270 59.8243 29.9709 177.0942 105 C 4.2280 8.1452 118.0441 62.7644 27.8788 176.2162 106 I 3.8566 7.9085 121.7374 64.0687 36.7030 178.3502 107 L 3.7766 7.8594 119.8275 57.3738 41.3632 179.6630 108 V 3.5105 7.5890 118.0950 65.8527 31.4681 178.1229 109 V 3.5221 7.6254 117.8812 66.2744 31.3161 177.8370 110 I 3.8039 7.6352 119.3561 64.5591 36.6533 178.3875 111 S 4.0901 7.5649 113.0796 61.5798 62.3449 176.0262 112 T 3.9575 8.0331 111.7075 64.6277 68.4353 175.4698 113 M 4.0407 7.8706 119.8009 55.4983 34.0370 176.3796 114 F 4.9856 8.9911 118.4954 55.5798 39.8805 174.2356 115 P 4.6459 0.0000 0.0000 65.6093 31.9664 178.6492 116 K 4.2060 7.7755 117.0708 59.4144 32.1841 178.2984 117 E 4.1464 8.2892 116.9535 59.1750 30.1748 177.6883 118 F 4.6855 8.5401 122.5443 57.4443 37.8092 174.6126 119 T 4.1657 7.3181 115.5404 60.6263 71.3382 173.5274 120 P 4.0803 0.0000 0.0000 65.6478 31.1034 178.8165 121 E 3.8877 8.0626 116.7572 59.4119 29.4510 179.1405 122 A 3.9922 7.7852 120.2701 55.0216 18.2755 179.1521 123 H 3.7489 7.8308 117.3074 59.2552 29.9196 177.7475 124 V 3.5420 7.9799 121.2168 65.1402 30.9512 178.4212 125 S 4.2361 7.8485 115.9765 61.1419 62.6635 176.4988 126 L 4.1396 8.1938 123.1363 57.9776 41.8547 178.3643 127 D 4.4010 9.0395 119.0432 57.4548 41.2296 178.2033 128 K 3.8927 8.2221 118.9535 59.5952 32.0016 179.0463 129 F 4.1534 8.3576 120.4963 61.4847 39.4488 177.3247 130 L 3.5632 8.5202 118.7705 57.5569 41.2027 179.7783 131 S 4.1896 8.2918 115.7020 61.3351 62.7427 176.7979 132 G 3.4645 7.8345 108.5270 47.5867 0.0000 176.0099 133 V 3.2325 7.6487 120.6789 65.4541 31.5079 177.8437 134 A 3.1950 7.5298 120.4408 55.0461 17.9975 179.3175 135 L 3.7913 7.7413 117.2268 58.2333 42.4632 178.7835 136 A 4.0217 7.7774 120.7697 54.9660 17.9649 179.6189 137 L 3.7966 8.1998 117.5648 57.2436 41.5363 178.7089 138 A 3.3879 7.5704 119.1769 52.3945 18.4907 178.6825 139 E 3.9321 7.4890 117.0428 59.0687 29.6083 178.2348 140 R 4.6387 7.6172 114.4531 56.3772 30.3533 177.0142 141 Y 4.3709 8.3270 119.1441 60.6417 38.2980 175.9511 142 R 4.2387 7.8808 119.4614 56.6997 29.0205 174.4203 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 8.33 4.39 0.00 3.99 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 2 L 8.20 4.35 0.00 1.76 1.68 1.06 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.43 4.45 0.00 4.08 4.01 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 4 D 8.53 4.31 0.00 2.70 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 5 K 8.12 3.80 0.00 1.80 1.81 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.54 7.81 6 D 8.11 4.49 0.00 2.95 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 7 K 8.33 3.89 0.00 1.92 1.82 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.58 7.81 8 A 8.48 3.90 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 9 A 7.89 3.90 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 10 V 7.73 3.42 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 0.15 0.00 0.00 0.74 0.00 0.00 11 R 7.98 3.90 0.00 2.12 1.95 0.00 3.14 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 1.61 1.64 0.00 12 A 8.38 3.95 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 13 L 7.89 3.87 0.00 1.83 1.87 1.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 14 W 8.26 4.09 0.00 3.44 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 15 S 7.97 4.05 0.00 4.07 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 0.00 16 K 7.51 4.07 0.00 1.71 1.75 0.00 1.62 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.51 7.81 17 I 7.30 3.87 0.56 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.79 0.13 0.00 0.00 18 G 7.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.61 3.90 0.00 1.85 1.87 0.00 1.51 0.00 0.00 1.59 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.25 1.51 7.81 20 S 7.90 4.70 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 21 S 7.82 4.16 0.00 4.18 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 D 8.06 4.34 0.00 2.74 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 23 A 7.92 3.97 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 24 I 8.11 3.79 2.13 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 1.62 0.94 1.02 0.00 0.00 25 G 8.38 3.59 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 26 N 8.10 4.30 0.00 2.79 2.83 0.00 0.00 6.93 8.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 8.36 4.28 0.00 2.92 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 28 A 8.29 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 29 L 8.12 4.01 0.00 1.73 1.73 1.06 0.90 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 30 S 8.21 4.09 0.00 4.10 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 31 R 8.32 3.97 0.00 2.14 2.10 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.69 0.00 32 M 8.19 4.22 0.00 2.26 2.26 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.63 0.00 33 I 7.89 3.98 1.95 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 1.77 0.70 0.97 0.00 0.00 34 V 7.29 3.67 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 0.83 0.00 0.00 1.03 0.00 0.00 35 V 8.05 3.74 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 0.39 0.00 0.00 0.96 0.00 0.00 36 Y 8.13 4.78 0.00 3.19 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 37 P 0.00 4.61 0.00 2.19 2.16 0.00 3.91 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 38 Q 8.28 4.07 0.00 2.28 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.98 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 39 T 8.23 4.38 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 40 K 8.53 4.49 0.00 2.00 2.02 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.20 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.61 1.73 7.81 41 I 7.43 3.61 1.59 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 1.10 0.08 0.85 0.00 0.00 42 Y 7.17 4.06 0.00 2.06 2.25 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 43 F 8.30 4.46 0.00 3.06 3.06 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 44 S 7.78 4.34 0.00 3.98 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 45 H 7.65 4.99 0.00 3.28 3.34 0.00 5.50 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 W 7.93 5.26 0.00 3.74 3.05 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 47 P 0.00 4.87 0.00 2.16 2.16 0.00 3.78 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.94 0.00 48 D 7.45 4.72 0.00 2.68 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 49 V 7.48 4.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.01 0.00 0.00 50 T 7.26 4.58 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 51 P 0.00 4.18 0.00 2.19 2.06 0.00 3.74 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.13 0.00 52 G 8.59 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 0.00 0.00 0.00 53 S 7.37 4.37 0.00 3.80 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 54 P 0.00 3.97 0.00 2.13 2.20 0.00 3.60 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 2.03 1.95 0.00 55 N 8.11 3.89 0.00 1.81 1.42 0.00 0.00 7.03 6.86 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 56 I 7.29 3.44 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.93 0.00 0.00 57 K 8.86 4.00 0.00 1.90 1.81 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.42 7.81 58 A 8.06 4.03 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 H 9.42 4.34 0.00 3.55 3.49 0.00 5.61 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 60 G 7.97 3.75 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 0.00 61 K 7.85 3.97 0.00 2.14 1.92 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.58 7.81 62 K 8.23 4.06 0.00 1.94 1.91 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.73 7.81 63 V 8.26 3.57 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 1.03 0.00 0.00 0.82 0.00 0.00 64 M 8.45 4.36 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.88 0.00 65 G 8.15 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 66 G 8.14 3.58 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 0.00 0.00 0.00 67 I 7.70 3.47 1.72 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.77 0.46 0.00 0.00 68 A 8.11 3.47 1.52 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 69 L 7.80 3.81 0.00 1.86 1.80 0.91 1.15 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 70 A 8.30 4.04 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 71 V 7.70 3.54 1.87 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 0.84 0.00 0.00 0.32 0.00 0.00 72 S 7.79 4.24 0.00 4.09 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 73 K 8.02 4.49 0.00 1.77 1.80 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.53 7.81 74 I 7.44 3.80 2.03 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.62 0.88 0.00 0.00 75 D 7.97 4.58 0.00 2.70 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 76 D 7.84 4.59 0.00 2.61 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.93 3.93 0.00 1.65 1.59 0.84 0.84 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 78 K 8.02 3.84 0.00 1.77 1.92 0.00 1.73 0.00 0.00 2.06 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.52 7.81 79 T 8.53 3.98 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 80 G 8.37 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 81 L 8.30 4.72 0.00 1.61 1.53 0.74 0.37 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 82 M 7.72 3.99 0.00 1.92 2.08 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.60 0.00 83 E 8.09 3.89 0.00 1.89 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 2.30 2.41 0.00 84 L 7.84 4.09 0.00 1.72 1.62 0.94 0.66 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 85 S 8.07 4.36 0.00 4.07 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 86 E 8.12 3.72 0.00 1.93 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 87 Q 7.88 3.96 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.71 2.57 0.00 88 H 8.34 4.54 0.00 3.49 3.66 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 89 A 8.60 3.52 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 90 Y 5.83 4.10 0.00 2.80 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.33 4.18 0.00 1.72 1.98 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.44 7.81 92 L 9.58 3.91 0.00 1.69 1.59 0.60 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 93 R 8.03 3.71 0.00 1.88 1.97 0.00 3.05 0.00 0.00 2.92 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.43 0.00 94 V 7.29 3.99 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 -0.01 0.00 0.00 0.13 0.00 0.00 95 D 9.03 4.49 0.00 2.80 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 96 P 0.00 3.78 0.00 2.15 2.03 0.00 3.70 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.93 0.00 97 S 8.23 4.13 0.00 4.05 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 98 N 7.99 4.38 0.00 2.45 2.73 0.00 0.00 6.86 7.72 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 99 F 7.58 4.39 0.00 3.09 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 0.00 100 K 8.10 4.09 0.00 1.88 1.86 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.56 7.81 101 I 7.17 3.38 1.74 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.89 -0.21 0.00 0.00 102 L 8.07 3.96 0.00 1.77 1.87 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.61 4.30 0.00 2.88 2.88 0.00 0.00 6.67 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.18 4.14 0.00 3.30 3.54 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 C 8.15 4.23 0.00 3.20 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 0.00 106 I 7.91 3.86 2.02 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 1.56 1.03 0.95 0.00 0.00 107 L 7.86 3.78 0.00 1.84 1.73 1.12 0.80 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 0.00 108 V 7.59 3.51 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.84 0.00 0.00 109 V 7.63 3.52 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.10 0.00 0.00 110 I 7.64 3.80 1.49 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 1.43 0.85 0.54 0.00 0.00 111 S 7.56 4.09 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 T 8.03 3.96 4.20 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 1.28 0.00 0.00 113 M 7.87 4.04 0.00 1.26 1.97 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.40 0.00 114 F 8.99 4.99 0.00 2.98 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 0.00 115 P 0.00 4.65 0.00 2.23 2.24 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 116 K 7.78 4.21 0.00 1.88 1.95 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.47 7.81 117 E 8.29 4.15 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 2.36 2.42 0.00 118 F 8.54 4.69 0.00 3.02 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 0.00 119 T 7.32 4.17 4.20 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 1.29 0.00 0.00 120 P 0.00 4.08 0.00 2.12 2.07 0.00 3.55 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 2.08 2.14 0.00 121 E 8.06 3.89 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 122 A 7.79 3.99 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 0.00 123 H 7.83 3.75 0.00 2.30 3.15 0.00 5.62 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 7.98 3.54 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 0.80 0.00 0.00 0.91 0.00 0.00 125 S 7.85 4.24 0.00 3.83 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.19 4.14 0.00 2.13 2.04 1.03 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 127 D 9.04 4.40 0.00 3.00 2.86 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 0.00 128 K 8.22 3.89 0.00 2.12 1.90 0.00 1.73 0.00 0.00 1.86 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.74 7.81 129 F 8.36 4.15 0.00 3.10 3.28 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 0.00 130 L 8.52 3.56 0.00 1.79 1.62 0.98 0.82 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 0.00 131 S 8.29 4.19 0.00 4.01 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 0.00 132 G 7.83 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 0.00 133 V 7.65 3.23 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 0.61 0.00 0.00 0.10 0.00 0.00 134 A 7.53 3.19 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 0.00 135 L 7.74 3.79 0.00 1.54 1.82 0.86 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.78 4.02 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 0.00 137 L 8.20 3.80 0.00 0.90 1.15 -0.16 0.84 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 0.00 138 A 7.57 3.39 1.09 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 0.00 0.00 139 E 7.49 3.93 0.00 2.06 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 2.49 0.00 140 R 7.62 4.64 0.00 1.86 1.96 0.00 3.32 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 141 Y 8.33 4.37 0.00 3.09 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 0.00 142 R 7.88 4.24 0.00 1.92 1.92 0.00 3.12 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00