NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5658 8.3649 120.5206 54.1029 42.1120 174.8108 4 K 3.9189 8.2865 119.8375 55.7251 32.9939 175.1138 5 P 3.8955 0.0000 0.0000 62.0219 33.9534 177.1266 6 I 3.5090 7.8225 120.3611 64.2269 37.7445 178.3126 7 W 4.0899 7.6268 116.7773 59.2775 27.9517 177.7738 8 E 3.8624 7.2457 119.8496 58.7600 29.1643 178.5057 9 Q 3.8607 7.7232 118.2561 58.9067 28.7187 178.8064 10 I 3.6102 7.6477 120.8227 64.1873 37.0411 178.7896 11 G 3.4922 7.9974 106.9064 47.8299 0.0000 175.9379 12 S 4.4489 8.0228 118.6830 60.6893 63.0033 176.7987 13 S 4.1302 8.0314 118.7832 61.1536 62.4716 176.3383 14 F 4.0082 8.4467 123.5831 61.3192 39.1604 177.1092 15 I 3.4675 8.0264 119.4971 64.4326 36.9185 178.1598 16 Q 4.0466 8.1361 120.2489 59.3913 28.9036 177.7658 17 H 4.0723 8.1026 119.1603 59.3473 29.8232 176.3944 18 Y 3.4859 7.4512 121.5009 60.9894 38.4206 177.9513 19 Y 4.1215 7.9615 117.2623 60.6749 38.0306 178.0317 20 Q 3.9970 8.3001 121.0112 59.1244 29.0825 178.2472 21 L 4.1027 7.9600 120.1052 57.6487 41.4106 179.1847 22 F 3.7368 8.0063 119.9533 61.2866 39.4320 176.4775 23 D 4.8764 8.5000 116.5654 55.7966 40.9213 176.7606 24 N 4.9713 7.5450 114.3956 53.4221 41.5502 174.3985 25 D 4.6476 7.9463 113.1626 52.7170 41.3765 176.8221 26 R 3.8023 7.4710 121.6963 59.2173 30.0591 179.3615 27 T 4.0170 7.5775 106.9901 62.7840 69.2769 174.7719 28 Q 4.4427 7.8980 121.3270 55.7518 29.0883 177.2629 29 L 3.9713 7.7104 120.0716 56.8334 41.9733 179.5368 30 G 3.7676 8.1761 107.5957 48.1760 0.0000 175.3676 31 A 4.0112 7.7996 122.6235 54.4365 18.5021 178.1423 32 I 4.3695 7.8852 107.8180 60.6415 37.8028 174.4014 33 Y 5.4833 7.8377 118.1175 56.5478 41.2016 174.1171 34 I 4.6974 8.5350 114.0972 58.7113 40.6288 176.3799 35 D 4.3216 8.7286 119.5584 57.2062 40.6554 178.0862 36 A 4.4819 7.8264 119.3152 52.0303 19.1385 177.0690 37 S 4.6861 7.9895 115.0607 59.9323 64.4472 172.9581 38 C 5.1273 8.9956 121.9424 57.5345 34.8500 172.3952 39 L 5.5070 9.0162 127.2051 53.6247 45.2186 174.8989 40 T 5.1772 9.2062 122.6169 61.6195 71.4274 172.8379 41 W 4.9885 9.8978 135.0000 55.6062 33.3058 175.2506 42 E 3.8863 9.8812 129.4338 57.5721 27.0299 176.3147 43 G 4.0063 8.5094 104.8261 45.6628 0.0000 173.7580 44 Q 4.5379 8.1601 119.5806 54.1372 30.5224 173.9910 45 Q 5.0189 8.2175 123.3564 54.6049 30.9121 174.4335 46 F 4.6818 9.4156 125.0689 55.8220 42.0904 173.8971 47 Q 4.7273 9.0584 123.1534 55.2314 30.5846 176.5782 48 G 4.5021 9.2329 110.5960 45.7520 0.0000 174.1307 49 K 3.7451 8.7275 121.6439 59.2214 32.1459 178.9408 50 A 3.9308 8.0127 120.1514 55.3504 18.3760 179.3719 51 A 3.9928 7.9202 118.6082 55.1869 18.5241 179.8280 52 I 3.4530 7.7687 118.3333 64.5801 37.1446 178.9167 53 V 3.4944 7.9695 119.4441 65.7200 31.2309 177.6681 54 E 3.7508 8.1150 119.2500 58.8565 29.2387 178.6372 55 K 3.4282 7.3782 118.4501 59.4499 32.3085 178.4694 56 L 3.5005 7.3726 119.0398 57.6299 41.2063 179.7603 57 S 3.8934 7.9412 115.5290 61.3114 62.5515 176.5060 58 S 4.1686 7.7347 115.1027 58.8412 63.1578 174.6875 59 L 3.6739 6.4673 123.5182 54.5586 42.1133 176.7541 60 P 4.5577 0.0000 0.0000 61.6599 30.0745 175.5589 61 F 5.1408 6.6355 110.8884 56.6581 41.3599 174.6480 62 Q 4.3539 9.5646 121.4363 57.8420 29.3910 176.6430 63 K 4.9024 8.8641 116.6286 54.6973 36.0838 175.2890 64 I 4.8972 8.1749 121.8181 59.6664 41.4468 173.6528 65 Q 4.7603 8.7765 128.0781 54.7597 32.3033 173.3835 66 H 5.3525 9.5479 123.3076 54.0583 31.7443 173.6191 67 S 4.6629 9.1056 115.8927 56.5873 65.7151 172.6920 68 I 4.4242 8.4196 128.0409 60.8327 37.1355 175.6541 69 T 4.3536 8.8082 117.9583 63.0938 70.6772 174.5968 70 A 4.8726 7.5367 122.5700 50.6237 22.4818 175.1415 71 Q 4.9971 8.6413 118.5597 54.7008 32.1340 173.5114 72 D 5.1482 9.1001 123.0894 52.7550 44.4563 174.7928 73 H 5.5949 8.8042 117.5337 54.4795 32.9169 172.7684 74 Q 4.2779 9.1309 119.9904 53.5428 33.2923 172.5774 75 P 5.0517 0.0000 0.0000 62.1364 33.0849 174.8051 76 T 4.5869 8.4589 111.1265 59.1696 71.5366 173.5393 77 P 4.2450 0.0000 0.0000 65.4177 31.4559 176.7452 78 D 4.7757 7.9233 116.5841 54.6510 41.1418 176.4423 79 S 3.9311 7.7653 111.9378 59.9395 60.8451 171.0561 80 C 5.2993 7.9455 117.8332 58.2723 31.7375 172.6856 81 I 5.0578 8.7834 119.4136 59.8282 40.8100 174.8896 82 I 4.9785 8.8550 127.1019 59.6864 39.9334 174.7298 83 S 5.2001 9.2757 122.4996 56.8972 66.3459 172.5801 84 M 5.1203 9.2708 124.7775 53.7037 34.7746 174.3537 85 V 5.0525 9.2836 126.1170 61.0056 35.2018 174.4428 86 V 4.3353 8.1247 125.9483 60.2520 34.7968 175.3278 87 G 4.0670 6.8361 107.3121 45.9902 0.0000 171.8564 88 Q 5.5067 8.8108 118.0528 54.2139 33.2641 174.7135 89 L 5.1385 9.0453 120.5253 54.2915 44.8156 174.8985 90 K 4.7060 8.8666 120.6122 54.7461 35.5513 174.4896 91 A 4.7892 8.5504 129.1371 49.9940 21.1670 176.0964 92 D 4.2726 8.9244 124.3742 56.1636 40.9000 174.5304 93 E 4.5716 8.8704 125.5031 57.1533 29.4218 175.3590 94 D 4.6865 8.0427 119.5125 52.8735 41.6777 174.7215 95 P 4.4256 0.0000 0.0000 62.5054 31.9324 176.7083 96 I 4.1332 8.1205 121.8861 61.9763 37.8264 175.4121 97 M 4.7955 8.9996 124.8407 53.4297 36.2107 175.5959 98 G 4.3143 8.5110 109.4328 46.2235 0.0000 172.0077 99 F 5.1754 8.3728 113.7002 55.9424 41.7436 172.7862 100 H 5.2153 8.8341 116.8458 54.1758 32.4664 172.5439 101 Q 5.0057 9.0982 122.4611 54.9328 33.2157 172.9409 102 M 5.2001 8.7385 123.5859 53.8419 36.1442 173.8929 103 F 5.5200 9.4578 123.1256 55.6495 43.7126 173.3111 104 L 5.1211 9.1787 124.8267 53.3515 44.3905 175.0160 105 L 5.3276 9.2132 126.0350 53.0381 45.0817 175.3974 106 K 4.9247 9.1391 122.2578 54.8785 36.4174 174.5079 107 N 4.4255 7.7541 124.1902 52.1357 40.2269 173.7730 108 I 4.4052 8.0711 127.4442 60.4727 40.1571 175.7161 109 N 3.9671 9.2341 122.5277 54.7436 35.7501 173.2259 110 D 4.3001 8.4830 109.9404 53.4986 40.0403 172.6155 111 A 4.6778 7.3061 115.5799 50.2896 23.3236 176.6268 112 W 4.6868 8.9036 122.3049 56.6198 30.0238 176.2419 113 V 4.7074 8.9703 116.9537 59.8112 36.2846 173.7617 114 C 4.8308 8.9504 123.9342 59.0207 31.7175 173.3768 115 T 4.5514 9.0726 116.8207 63.0289 70.6272 174.5233 116 N 5.6815 8.0913 118.5614 51.6160 43.3290 173.0987 117 D 5.3007 9.2844 122.0352 53.0427 45.3198 173.7856 118 M 5.3888 8.9709 124.4955 53.6014 36.0283 174.1474 119 F 5.2110 9.4180 125.1667 56.5068 43.3569 173.7318 120 R 4.5477 7.6320 123.2871 54.3161 34.2893 174.7898 121 L 4.2584 8.2722 123.2230 54.1106 42.7019 176.7444 122 A 3.8567 8.6881 124.9035 52.7926 18.5603 176.3762 123 L 3.7584 8.9864 122.6877 55.5122 40.1723 176.4734 124 H 3.8885 8.9543 112.8287 55.1081 25.5327 174.8018 125 N 4.4998 8.0922 118.8843 53.6149 38.3185 175.3431 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 3 D 8.36 4.57 0.00 2.61 2.65 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 4 K 8.29 3.92 0.00 1.67 1.56 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.45 7.81 5 P 0.00 3.90 0.00 0.49 0.49 0.00 3.45 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 6 I 7.82 3.51 1.81 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.31 1.02 0.00 0.00 7 W 7.63 4.09 0.00 3.50 3.42 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 8 E 7.25 3.86 0.00 1.86 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 9 Q 7.72 3.86 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.40 0.00 10 I 7.65 3.61 1.38 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.48 -0.25 0.00 0.00 11 G 8.00 3.49 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 0.00 0.00 0.00 0.00 12 S 8.02 4.45 0.00 4.06 4.17 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 13 S 8.03 4.13 0.00 4.12 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 14 F 8.45 4.01 0.00 3.13 3.18 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 15 I 8.03 3.47 2.19 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.13 1.32 0.00 0.00 16 Q 8.14 4.05 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 17 H 8.10 4.07 0.00 3.23 3.10 0.00 5.67 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 18 Y 7.45 3.49 0.00 1.84 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 0.00 0.00 0.00 0.00 19 Y 7.96 4.12 0.00 3.25 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 20 Q 8.30 4.00 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 21 L 7.96 4.10 0.00 1.64 1.50 0.65 0.82 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 22 F 8.01 3.74 0.00 2.74 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 23 D 8.50 4.88 0.00 2.84 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 24 N 7.55 4.97 0.00 2.83 2.82 0.00 0.00 6.82 7.76 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 25 D 7.95 4.65 0.00 2.69 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 7.47 3.80 0.00 1.39 2.00 0.00 2.39 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.35 0.00 27 T 7.58 4.02 4.16 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 1.10 0.00 0.00 28 Q 7.90 4.44 0.00 2.30 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.85 0.00 0.00 0.00 0.00 0.00 2.25 2.46 0.00 29 L 7.71 3.97 0.00 1.73 1.72 0.33 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.18 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 31 A 7.80 4.01 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 32 I 7.89 4.37 1.98 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.67 0.59 0.00 0.00 33 Y 7.84 5.48 0.00 3.02 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 34 I 8.53 4.70 1.92 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 1.40 0.97 0.96 0.00 0.00 35 D 8.73 4.32 0.00 2.82 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 36 A 7.83 4.48 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 37 S 7.99 4.69 0.00 3.80 3.85 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 38 C 9.00 5.13 0.00 3.00 2.76 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 39 L 9.02 5.51 0.00 1.84 1.72 1.43 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.21 5.18 4.35 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 1.34 0.00 0.00 41 W 9.90 4.99 0.00 3.64 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 42 E 9.88 3.89 0.00 2.35 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 0.00 1.98 2.47 0.00 43 G 8.51 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 0.00 0.00 0.00 44 Q 8.16 4.54 0.00 2.55 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 45 Q 8.22 5.02 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.72 0.00 0.00 0.00 0.00 0.00 2.24 2.54 0.00 46 F 9.42 4.68 0.00 3.03 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 47 Q 9.06 4.73 0.00 1.91 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.49 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 48 G 9.23 4.50 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 0.00 49 K 8.73 3.75 0.00 2.08 1.84 0.00 1.77 0.00 0.00 1.89 0.00 0.00 3.14 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.54 1.62 7.81 50 A 8.01 3.93 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 51 A 7.92 3.99 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 52 I 7.77 3.45 1.71 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.89 0.43 0.00 0.00 53 V 7.97 3.49 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 0.98 0.00 0.00 1.03 0.00 0.00 54 E 8.11 3.75 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 2.25 2.25 0.00 55 K 7.38 3.43 0.00 0.79 1.22 0.00 1.18 0.00 0.00 0.85 0.00 0.00 2.83 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.30 0.48 7.81 56 L 7.37 3.50 0.00 1.36 1.08 0.95 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.94 3.89 0.00 3.84 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.73 4.17 0.00 3.87 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 59 L 6.47 3.67 0.00 0.75 0.91 0.85 0.87 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 60 P 0.00 4.56 0.00 2.20 2.08 0.00 3.66 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.99 0.00 61 F 6.64 5.14 0.00 3.18 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 62 Q 9.56 4.35 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.67 0.00 0.00 0.00 0.00 0.00 2.40 2.50 0.00 63 K 8.86 4.90 0.00 1.65 1.66 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.39 7.81 64 I 8.17 4.90 0.99 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.43 1.13 0.00 0.00 65 Q 8.78 4.76 0.00 2.11 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.51 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 66 H 9.55 5.35 0.00 2.83 2.94 0.00 5.84 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 67 S 9.11 4.66 0.00 3.83 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 68 I 8.42 4.42 1.87 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.00 0.96 0.00 0.00 69 T 8.81 4.35 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 1.15 0.00 0.00 70 A 7.54 4.87 1.18 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 71 Q 8.64 5.00 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 72 D 9.10 5.15 0.00 2.57 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 73 H 8.80 5.59 0.00 3.21 3.36 0.00 5.84 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 74 Q 9.13 4.28 0.00 1.84 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.13 2.24 0.00 75 P 0.00 5.05 0.00 1.84 1.76 0.00 2.90 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.44 0.00 76 T 8.46 4.59 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 1.24 0.00 0.00 77 P 0.00 4.25 0.00 2.05 2.14 0.00 3.64 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 78 D 7.92 4.78 0.00 2.67 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 79 S 7.77 3.93 0.00 4.04 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 80 C 7.95 5.30 0.00 2.95 3.07 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 81 I 8.78 5.06 1.71 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.56 0.94 0.00 0.00 82 I 8.85 4.98 1.87 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 1.25 0.70 0.93 0.00 0.00 83 S 9.28 5.20 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 84 M 9.27 5.12 0.00 2.02 1.88 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 2.45 2.42 0.00 85 V 9.28 5.05 2.36 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 1.14 0.00 0.00 1.30 0.00 0.00 86 V 8.12 4.34 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 0.56 0.00 0.00 0.64 0.00 0.00 87 G 6.84 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 0.00 0.00 0.00 88 Q 8.81 5.51 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.63 0.00 0.00 0.00 0.00 0.00 2.23 2.23 0.00 89 L 9.05 5.14 0.00 1.38 1.38 0.82 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 90 K 8.87 4.71 0.00 1.76 1.58 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.27 1.46 7.81 91 A 8.55 4.79 0.92 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 92 D 8.92 4.27 0.00 2.80 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 0.00 0.00 0.00 93 E 8.87 4.57 0.00 1.95 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 2.24 2.26 0.00 94 D 8.04 4.69 0.00 2.74 2.61 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 95 P 0.00 4.43 0.00 2.04 1.99 0.00 3.70 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 2.04 2.12 0.00 96 I 8.12 4.13 1.87 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 1.33 0.46 0.95 0.00 0.00 97 M 9.00 4.80 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.81 0.00 98 G 8.51 4.31 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 0.00 99 F 8.37 5.18 0.00 2.87 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 0.00 100 H 8.83 5.22 0.00 2.88 3.06 0.00 5.59 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 0.00 101 Q 9.10 5.01 0.00 2.53 2.15 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 1.17 2.32 0.00 102 M 8.74 5.20 0.00 2.01 1.76 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 103 F 9.46 5.52 0.00 2.92 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 0.00 104 L 9.18 5.12 0.00 1.77 1.56 1.04 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 105 L 9.21 5.33 0.00 1.66 1.67 0.60 -0.70 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 0.00 106 K 9.14 4.92 0.00 1.80 1.56 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.20 1.30 7.81 107 N 7.75 4.43 0.00 1.44 1.92 0.00 0.00 6.82 7.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.07 4.41 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 1.23 1.02 0.88 0.00 0.00 109 N 9.23 3.97 0.00 2.84 2.88 0.00 0.00 7.06 8.06 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 0.00 110 D 8.48 4.30 0.00 2.75 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 0.00 111 A 7.31 4.68 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 W 8.90 4.69 0.00 3.30 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 8.97 4.71 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 0.76 0.00 0.00 1.04 0.00 0.00 114 C 8.95 4.83 0.00 2.73 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 0.00 115 T 9.07 4.55 4.30 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 1.26 0.00 0.00 116 N 8.09 5.68 0.00 2.68 2.75 0.00 0.00 6.54 8.08 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 0.00 117 D 9.28 5.30 0.00 3.13 2.73 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 0.00 118 M 8.97 5.39 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 119 F 9.42 5.21 0.00 3.09 2.65 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 0.00 120 R 7.63 4.55 0.00 1.46 1.53 0.00 3.25 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.63 0.00 121 L 8.27 4.26 0.00 1.60 1.54 1.05 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.69 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.99 3.76 0.00 1.76 1.59 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 124 H 8.95 3.89 0.00 3.31 3.46 0.00 5.73 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 0.00 125 N 8.09 4.50 0.00 2.71 2.75 0.00 0.00 7.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00