NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4725 8.1814 115.4176 58.3844 64.9629 175.5038 3 G 3.8022 8.2474 107.9337 47.3355 0.0000 173.9393 4 I 3.7317 8.1498 123.9009 64.0040 37.6788 176.5717 5 A 4.2628 8.0183 120.9342 55.2631 18.2786 179.3554 6 L 3.9056 7.9107 117.3890 58.1102 41.2186 179.5928 7 S 4.1318 7.6704 114.0499 62.0087 62.7963 177.0681 8 R 3.9641 7.7405 120.1435 59.5222 29.8630 178.5736 9 L 4.0062 8.1048 118.6558 57.6029 41.4282 179.1509 10 A 4.0371 8.5031 121.3247 55.3727 18.2681 179.4459 11 Q 4.0181 7.9375 117.0601 58.9687 29.0213 177.9475 12 E 4.0852 8.6187 120.5087 59.4625 29.5705 179.5627 13 R 4.3193 8.4836 116.2236 59.2189 29.4461 178.6240 14 K 3.9599 8.0496 120.3452 59.3612 32.1836 178.6443 15 A 4.0739 8.2273 121.0194 54.8891 18.1140 179.4363 16 W 4.4063 8.2007 127.3999 60.2260 30.8631 178.1782 17 R 4.2439 8.8510 120.2105 59.6591 29.5273 179.5598 18 K 4.1926 7.7356 123.0746 58.5690 32.0864 179.7396 19 D 4.6426 7.7938 118.4532 53.1100 44.4984 173.7040 20 H 4.1422 7.6536 120.1661 52.7372 31.8792 170.9057 21 P 4.2192 0.0000 0.0000 61.7137 31.2682 175.9914 22 F 3.9550 8.9077 125.3073 59.9912 39.4403 174.8242 23 G 4.2182 8.8596 115.3807 45.5612 0.0000 173.8140 24 F 4.7123 8.0955 117.3014 57.2273 40.2464 175.3553 25 V 4.8223 8.6443 120.1432 61.4885 34.9627 174.6407 26 A 4.9951 8.7190 125.9490 51.3515 21.7508 176.0913 27 V 3.9949 8.4669 122.3295 59.7436 35.1336 172.4097 28 P 4.1312 0.0000 0.0000 62.2325 31.4251 176.4683 29 T 4.1185 8.4988 114.2691 61.5235 70.2976 173.5811 30 K 4.3350 8.3313 121.6345 55.9432 33.2437 176.5033 31 N 4.7798 8.5147 120.5913 51.4911 40.1043 173.4690 32 P 4.1045 0.0000 0.0000 64.3125 31.8574 174.9606 33 D 4.3512 9.2646 124.7719 52.6221 38.0807 173.6459 34 G 4.2528 7.8653 111.6506 44.6320 0.0000 172.3763 35 T 4.4439 8.7301 116.3712 64.1320 71.6814 173.5064 36 M 4.6266 7.6283 117.8642 53.1143 35.2137 174.1675 37 N 4.4351 8.2378 123.1638 53.7204 38.4248 174.7329 38 L 4.3420 8.3835 125.4420 55.7323 42.4910 177.1239 39 M 4.8013 7.8353 119.0692 54.5944 33.4628 175.1686 40 N 4.9518 8.2151 116.6153 52.8219 42.7170 172.8433 41 W 5.2171 8.9948 126.2980 54.9239 33.1453 174.4013 42 E 4.5949 9.0193 124.4504 55.7321 30.2108 175.2478 43 C 5.3864 8.7984 121.2690 57.9908 33.0044 173.1573 44 A 5.1942 9.2443 121.7657 50.5824 22.8895 175.2406 45 I 4.3298 8.5710 121.2692 58.6538 40.7508 172.7813 46 P 5.0641 0.0000 0.0000 60.5835 32.5003 176.0031 47 G 4.0544 8.8288 112.3491 45.2452 0.0000 173.1225 48 K 4.0950 9.1303 126.5257 56.5316 32.7534 176.1758 49 K 4.3783 8.4458 123.9428 57.9075 33.2051 177.4467 50 G 3.9586 8.5252 108.6435 45.5626 0.0000 173.3875 51 T 4.6826 7.1414 110.7201 58.8445 71.0799 173.8627 52 P 4.2804 0.0000 0.0000 65.4786 31.0637 177.4590 53 W 4.4537 8.2209 116.8797 57.3521 29.2098 175.7142 54 E 4.2088 7.7053 120.4795 57.5312 30.0026 176.1508 55 G 3.6512 9.6571 112.0065 44.7760 0.0000 172.8907 56 G 3.8561 6.8237 102.6011 45.0381 0.0000 172.8397 57 L 4.5893 8.0236 122.9836 53.0506 44.7112 175.3065 58 F 4.3096 8.4600 126.4952 55.6093 40.9382 175.3457 59 K 5.0274 8.4466 125.4684 55.5251 34.0723 175.1469 60 L 5.2649 8.6352 125.5515 54.1294 44.1825 175.5634 61 R 4.5627 9.3145 122.4436 56.3135 32.0691 175.0807 62 M 4.8965 8.6293 122.8480 53.7962 34.1803 173.0031 63 L 4.5646 8.3503 125.3516 53.2714 43.8241 175.5013 64 F 4.8507 8.3007 121.9315 55.5270 41.2585 175.9604 65 K 4.3902 8.5500 122.3470 55.5810 33.0515 177.7561 66 D 4.5470 8.5174 119.7931 57.2261 41.3169 178.0304 67 D 4.4733 8.3875 119.3096 57.1928 41.0869 175.8954 68 Y 4.7270 7.7641 117.8198 57.2572 39.0804 174.1690 69 P 3.8214 0.0000 0.0000 62.5212 32.0637 177.4713 70 S 4.1587 8.2485 115.4807 61.0203 62.5199 174.3910 71 S 4.7131 7.7943 113.7976 55.4677 64.9446 171.7011 72 P 2.9700 0.0000 0.0000 60.7410 31.9096 173.9415 73 P 4.1341 0.0000 0.0000 62.2058 32.3661 176.0047 74 K 4.0775 8.3825 121.5438 56.2940 33.7026 175.6860 75 C 4.9062 8.4624 121.7919 57.8603 30.9615 172.7987 76 K 4.8686 8.4412 123.7264 54.2693 35.0533 175.6844 77 F 4.7205 9.9732 125.5631 57.4170 40.1743 174.2909 78 E 4.7819 8.9559 124.1975 54.0205 31.0688 174.5407 79 P 4.6986 0.0000 0.0000 60.4514 33.0210 173.8307 80 P 4.2918 0.0000 0.0000 63.3563 31.5417 175.8988 81 L 4.7704 8.2615 121.6427 52.6612 43.7911 176.3268 82 F 4.5776 9.3102 125.1571 58.7751 38.9140 174.4315 83 H 4.3132 8.1360 124.5582 54.3872 32.7908 172.6937 84 P 4.1237 0.0000 0.0000 65.7035 31.2321 177.1317 85 N 4.5056 8.1910 113.6726 52.7444 38.9904 173.9335 86 V 4.5140 7.4333 119.4025 60.6459 33.2328 175.0860 87 Y 4.5583 8.2647 125.3353 57.6285 38.1987 175.6413 88 P 4.4441 0.0000 0.0000 64.5126 31.4998 177.0724 89 S 4.5158 8.0498 111.7718 57.9321 63.5581 174.9105 90 G 4.2343 8.8808 110.5219 46.4167 0.0000 173.4299 91 T 4.5387 7.9586 117.6828 63.2920 69.6223 173.9132 92 V 3.9452 8.7924 128.2623 62.9221 32.1955 174.7326 93 C 4.5766 8.1968 128.9744 58.0340 32.2113 172.6110 94 L 4.5226 8.2822 126.9741 53.5303 45.0746 175.4942 95 S 4.1484 9.0825 121.0408 61.6859 62.5709 176.5684 96 I 4.1624 7.8162 112.8839 61.1958 37.3604 176.2859 97 L 4.6885 7.9804 122.0124 54.7361 42.6644 175.0951 98 E 4.5127 8.1300 118.4848 55.0429 30.6177 175.7418 99 E 3.9099 8.9230 125.8655 59.3533 29.6431 177.7445 100 D 4.9375 7.9314 115.3515 53.0538 39.7493 176.4948 101 K 4.4132 7.7305 115.6163 56.7413 35.1416 175.8295 102 D 4.9098 8.1599 118.1476 53.8163 42.8735 175.8890 103 W 4.6255 7.9064 129.2004 56.8209 31.4806 175.6005 104 R 4.2561 6.7343 122.3111 53.4265 33.3446 174.6565 105 P 4.4074 0.0000 0.0000 64.4340 31.5364 177.7259 106 A 3.9443 7.4292 120.1432 54.2893 18.6139 177.8072 107 I 3.5547 6.7854 117.5507 61.8307 37.5592 176.9069 108 T 4.8092 8.0589 117.2849 60.4896 70.9656 175.8531 109 I 3.6592 8.6712 122.9136 64.2550 37.0492 178.3486 110 K 4.1997 8.3438 120.1072 60.3292 31.8516 178.5562 111 Q 4.1207 8.6167 117.9974 58.5671 28.4451 178.8940 112 I 3.7449 7.6424 120.8929 64.5000 37.1902 178.3592 113 L 4.0931 8.1915 119.9188 57.8090 41.3858 179.7376 114 L 4.2329 8.2595 119.1174 57.8536 41.3870 179.7227 115 G 3.6963 8.1667 104.6239 47.8534 0.0000 175.5222 116 I 3.8969 8.1677 122.3137 64.1137 37.3124 178.0630 117 Q 3.9630 8.3645 120.5887 59.2948 27.9837 177.8303 118 E 4.1478 8.6527 119.3181 57.8632 29.5374 177.7466 119 L 4.2802 7.5186 119.0587 57.5740 42.2234 177.9592 120 L 3.2929 7.0608 118.2360 57.7721 41.4814 177.9160 121 N 4.5827 7.5417 116.3290 55.8114 39.3641 174.6830 122 E 4.3896 7.3714 115.7594 54.3135 28.7867 173.8415 123 P 4.6402 0.0000 0.0000 61.4718 33.2861 176.1099 124 N 4.6684 9.2391 119.2700 51.2938 37.7027 175.0013 125 I 3.6718 8.1912 123.5646 64.1620 37.4589 177.5927 126 Q 4.0721 8.1799 118.5778 58.1293 28.8909 175.8417 127 D 4.7754 7.8741 117.5262 51.8173 40.9568 172.8555 128 P 4.7851 0.0000 0.0000 61.2979 32.8728 176.1322 129 A 4.2273 8.8337 123.0899 51.6531 21.2999 176.5028 130 Q 4.4608 7.7121 115.5306 53.7425 31.6499 174.8536 131 A 3.9744 8.8081 129.7069 55.7865 18.1703 178.3577 132 E 3.9757 8.3319 115.8441 59.6097 29.8882 179.0803 133 A 4.1226 8.0871 120.1270 55.1097 18.2678 178.7967 134 Y 3.8455 8.1111 117.7497 61.3264 38.7732 178.0905 135 T 4.0297 8.4436 115.9105 67.1191 68.8988 176.1070 136 I 3.9628 7.7421 121.3413 64.5655 37.2028 177.7226 137 Y 3.9094 7.6809 118.7573 60.4154 38.5462 177.2399 138 C 4.3214 7.4104 115.4904 60.1828 28.5384 173.4397 139 Q 4.3832 8.0311 116.0360 56.8658 33.2225 174.4666 140 N 4.7894 7.7636 119.0235 50.3781 39.8788 174.2868 141 R 3.9437 8.3309 125.1150 59.0062 30.3215 178.8296 142 V 3.6268 7.8517 117.5445 65.8649 31.3817 177.7920 143 E 4.0192 8.1234 117.3067 59.3393 29.2403 178.5692 144 Y 4.1932 7.7439 118.9944 60.4031 38.8203 177.4243 145 E 3.9301 8.4835 119.8755 59.5337 29.6719 179.5743 146 K 4.0618 8.1309 117.9534 58.8915 32.0369 179.8158 147 R 3.5989 7.2937 118.6397 59.0026 29.8262 179.1489 148 V 2.9077 7.3336 117.9263 65.5984 31.4027 178.0865 149 R 3.7689 8.0057 118.0230 59.4427 29.8921 178.9799 150 A 3.9387 8.0712 120.7046 54.9638 18.0845 179.4918 151 Q 3.8949 7.8111 117.2247 59.3180 29.5756 178.0054 152 A 4.5322 8.3335 122.0137 55.2308 18.2149 179.7718 153 K 4.0012 7.8071 116.0731 59.1508 32.1173 179.1478 154 K 4.0686 7.6038 118.8857 57.0680 31.7706 176.2483 155 F 4.6789 7.5121 117.7533 55.0363 39.6386 174.8438 156 A 4.1642 8.5336 129.4805 51.6321 18.8591 175.3156 157 P 4.4278 0.0000 0.0000 62.9695 31.6874 176.0781 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 2 S 8.18 4.47 0.00 4.04 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 0.00 3 G 8.25 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.15 3.73 1.90 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 1.58 0.84 0.92 0.00 0.00 5 A 8.02 4.26 1.55 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 0.00 0.00 6 L 7.91 3.91 0.00 1.79 1.75 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 7 S 7.67 4.13 0.00 4.03 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 8 R 7.74 3.96 0.00 1.98 2.02 0.00 3.19 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.89 0.00 9 L 8.10 4.01 0.00 1.88 1.75 0.52 -0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.50 4.04 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 11 Q 7.94 4.02 0.00 2.40 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 12 E 8.62 4.09 0.00 2.24 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 2.49 2.55 0.00 13 R 8.48 4.32 0.00 2.09 2.42 0.00 2.69 0.00 0.00 2.94 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.75 0.00 14 K 8.05 3.96 0.00 1.95 2.11 0.00 1.66 0.00 0.00 1.85 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.49 1.51 7.81 15 A 8.23 4.07 1.48 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 16 W 8.20 4.41 0.00 3.65 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.85 4.24 0.00 2.09 2.04 0.00 3.25 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.90 0.00 18 K 7.74 4.19 0.00 1.80 1.72 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.31 7.81 19 D 7.79 4.64 0.00 2.65 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 H 7.65 4.14 0.00 1.40 1.31 0.00 5.58 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.22 0.00 1.69 1.82 0.00 3.00 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.74 0.00 22 F 8.91 3.96 0.00 2.97 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 23 G 8.86 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 0.00 0.00 0.00 0.00 24 F 8.10 4.71 0.00 3.18 3.54 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 0.00 0.00 0.00 0.00 25 V 8.64 4.82 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 0.97 0.00 0.00 0.99 0.00 0.00 26 A 8.72 5.00 0.54 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 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.47 3.99 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 0.68 0.00 0.00 0.78 0.00 0.00 28 P 0.00 4.13 0.00 1.57 1.51 0.00 3.19 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.65 0.00 29 T 8.50 4.12 4.21 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 1.26 0.00 0.00 30 K 8.33 4.34 0.00 1.63 1.74 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.41 7.81 31 N 8.51 4.78 0.00 2.59 2.72 0.00 0.00 6.99 8.02 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 32 P 0.00 4.10 0.00 2.03 2.01 0.00 3.79 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 2.11 0.00 33 D 9.26 4.35 0.00 2.83 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 34 G 7.87 4.25 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 0.00 0.00 0.00 35 T 8.73 4.44 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 1.20 0.00 0.00 36 M 7.63 4.63 0.00 1.85 1.81 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 37 N 8.24 4.44 0.00 2.89 2.87 0.00 0.00 7.15 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.38 4.34 0.00 1.68 1.73 0.92 0.89 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 39 M 7.84 4.80 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 40 N 8.22 4.95 0.00 2.80 2.67 0.00 0.00 6.85 7.95 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 41 W 8.99 5.22 0.00 3.27 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 42 E 9.02 4.59 0.00 1.91 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 2.30 2.29 0.00 43 C 8.80 5.39 0.00 2.94 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 A 9.24 5.19 1.17 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 0.00 0.00 45 I 8.57 4.33 2.01 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.84 0.83 0.00 0.00 46 P 0.00 5.06 0.00 2.02 1.95 0.00 2.20 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 1.76 1.75 0.00 47 G 8.83 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 48 K 9.13 4.10 0.00 1.91 1.82 0.00 1.81 0.00 0.00 1.94 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.61 1.57 7.81 49 K 8.45 4.38 0.00 1.95 1.87 0.00 1.58 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.56 7.81 50 G 8.53 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 51 T 7.14 4.68 4.67 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 1.40 0.00 0.00 52 P 0.00 4.28 0.00 1.99 2.37 0.00 4.20 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 2.44 0.00 53 W 8.22 4.45 0.00 3.58 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 54 E 7.71 4.21 0.00 2.04 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 2.39 2.33 0.00 55 G 9.66 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 56 G 6.82 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 0.00 0.00 0.00 57 L 8.02 4.59 0.00 1.44 1.39 0.87 0.64 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 58 F 8.46 4.31 0.00 2.92 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 K 8.45 5.03 0.00 1.84 1.91 0.00 1.70 0.00 0.00 1.92 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.60 1.50 7.81 60 L 8.64 5.26 0.00 1.33 1.13 0.90 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 61 R 9.31 4.56 0.00 2.14 1.76 0.00 3.43 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 62 M 8.63 4.90 0.00 1.97 1.68 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.61 0.00 63 L 8.35 4.56 0.00 1.48 1.44 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.30 4.85 0.00 2.63 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 65 K 8.55 4.39 0.00 1.84 1.74 0.00 1.60 0.00 0.00 1.79 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.39 7.81 66 D 8.52 4.55 0.00 2.70 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.39 4.47 0.00 2.83 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 68 Y 7.76 4.73 0.00 3.01 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 69 P 0.00 3.82 0.00 2.15 1.51 0.00 3.68 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 1.89 1.71 0.00 70 S 8.25 4.16 0.00 3.91 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 0.00 71 S 7.79 4.71 0.00 3.90 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 72 P 0.00 2.97 0.00 1.52 0.79 0.00 3.42 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 73 P 0.00 4.13 0.00 1.21 0.49 0.00 2.96 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 74 K 8.38 4.08 0.00 1.55 1.62 0.00 1.50 0.00 0.00 1.55 0.00 0.00 2.72 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.24 7.81 75 C 8.46 4.91 0.00 2.61 2.50 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 76 K 8.44 4.87 0.00 1.61 1.66 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.30 7.81 77 F 9.97 4.72 0.00 2.98 3.10 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 78 E 8.96 4.78 0.00 1.89 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 2.28 2.25 0.00 79 P 0.00 4.70 0.00 2.29 2.18 0.00 4.00 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.15 0.00 80 P 0.00 4.29 0.00 2.15 2.28 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.23 0.00 81 L 8.26 4.77 0.00 1.30 1.34 -0.35 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 82 F 9.31 4.58 0.00 2.96 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 83 H 8.14 4.31 0.00 3.11 2.97 0.00 5.74 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.12 0.00 2.09 2.11 0.00 3.33 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.36 0.00 85 N 8.19 4.51 0.00 2.83 2.77 0.00 0.00 6.63 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 86 V 7.43 4.51 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 1.02 0.00 0.00 0.99 0.00 0.00 87 Y 8.26 4.56 0.00 3.18 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 88 P 0.00 4.44 0.00 2.11 2.19 0.00 3.86 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 89 S 8.05 4.52 0.00 3.98 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 90 G 8.88 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 0.00 0.00 0.00 0.00 91 T 7.96 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 1.31 0.00 0.00 92 V 8.79 3.95 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 0.64 0.00 0.00 0.68 0.00 0.00 93 C 8.20 4.58 0.00 2.64 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 94 L 8.28 4.52 0.00 1.67 1.40 0.89 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 95 S 9.08 4.15 0.00 4.06 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 96 I 7.82 4.16 1.98 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 1.32 1.73 0.94 0.00 0.00 97 L 7.98 4.69 0.00 1.56 1.71 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.13 4.51 0.00 2.18 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 0.00 2.41 2.40 0.00 99 E 8.92 3.91 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 2.22 2.24 0.00 100 D 7.93 4.94 0.00 2.84 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 0.00 101 K 7.73 4.41 0.00 1.76 1.67 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.34 1.44 7.81 102 D 8.16 4.91 0.00 2.80 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 W 7.91 4.63 0.00 3.43 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 0.00 104 R 6.73 4.26 0.00 1.45 1.40 0.00 3.10 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.45 0.00 105 P 0.00 4.41 0.00 1.88 2.01 0.00 3.48 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.97 0.00 106 A 7.43 3.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 6.79 3.55 1.22 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 1.21 0.27 0.99 0.00 0.00 108 T 8.06 4.81 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 1.29 0.00 0.00 109 I 8.67 3.66 1.75 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.55 0.42 0.00 0.00 110 K 8.34 4.20 0.00 2.11 1.97 0.00 1.77 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.69 7.81 111 Q 8.62 4.12 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 112 I 7.64 3.74 2.04 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.03 0.85 0.00 0.00 113 L 8.19 4.09 0.00 2.03 2.15 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 114 L 8.26 4.23 0.00 1.74 1.75 0.92 0.65 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 0.00 115 G 8.17 3.70 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 0.00 0.00 0.00 116 I 8.17 3.90 2.02 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 1.33 0.84 0.91 0.00 0.00 117 Q 8.36 3.96 0.00 2.51 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.85 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 118 E 8.65 4.15 0.00 2.17 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 2.41 2.33 0.00 119 L 7.52 4.28 0.00 1.89 1.69 0.83 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.06 3.29 0.00 1.20 0.13 0.77 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 121 N 7.54 4.58 0.00 2.75 2.91 0.00 0.00 6.92 7.65 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 0.00 122 E 7.37 4.39 0.00 2.15 1.92 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 2.32 2.27 0.00 123 P 0.00 4.64 0.00 1.66 1.68 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 1.45 0.00 124 N 9.24 4.67 0.00 2.72 2.68 0.00 0.00 7.56 8.16 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 0.00 125 I 8.19 3.67 1.91 0.00 0.00 1.00 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 0.63 0.96 0.00 0.00 126 Q 8.18 4.07 0.00 2.03 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 7.05 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 127 D 7.87 4.78 0.00 2.62 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.79 0.00 1.87 1.69 0.00 3.35 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 1.64 1.74 0.00 129 A 8.83 4.23 0.45 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 0.00 130 Q 7.71 4.46 0.00 2.37 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 131 A 8.81 3.97 1.37 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 0.00 0.00 0.00 132 E 8.33 3.98 0.00 2.16 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 0.00 2.54 2.49 0.00 133 A 8.09 4.12 0.91 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 0.00 0.00 134 Y 8.11 3.85 0.00 3.18 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 0.00 135 T 8.44 4.03 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 1.30 0.00 0.00 136 I 7.74 3.96 2.32 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.16 1.20 0.00 0.00 137 Y 7.68 3.91 0.00 2.62 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 C 7.41 4.32 0.00 2.78 2.82 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 0.00 0.00 0.00 139 Q 8.03 4.38 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.47 2.29 0.00 140 N 7.76 4.79 0.00 2.68 2.71 0.00 0.00 7.18 7.65 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 0.00 141 R 8.33 3.94 0.00 1.79 1.90 0.00 2.66 0.00 0.00 2.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 142 V 7.85 3.63 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 1.07 0.00 0.00 0.93 0.00 0.00 143 E 8.12 4.02 0.00 2.27 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 2.57 2.48 0.00 144 Y 7.74 4.19 0.00 3.38 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 0.00 145 E 8.48 3.93 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 2.65 2.56 0.00 146 K 8.13 4.06 0.00 1.75 1.78 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.44 7.81 147 R 7.29 3.60 0.00 1.82 1.33 0.00 2.21 0.00 0.00 2.55 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.28 0.00 148 V 7.33 2.91 1.60 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 -0.54 0.00 0.00 -0.21 0.00 0.00 149 R 8.01 3.77 0.00 1.89 1.90 0.00 3.31 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 1.60 1.77 0.00 150 A 8.07 3.94 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 0.00 151 Q 7.81 3.89 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.92 0.00 0.00 0.00 0.00 0.00 2.78 2.53 0.00 152 A 8.33 4.53 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 0.00 153 K 7.81 4.00 0.00 1.91 1.84 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.52 1.55 7.81 154 K 7.60 4.07 0.00 1.45 1.32 0.00 1.52 0.00 0.00 1.15 0.00 0.00 2.91 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.76 1.16 7.81 155 F 7.51 4.68 0.00 2.98 2.93 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 0.00 156 A 8.53 4.16 1.25 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 0.00 0.00 157 P 0.00 4.43 0.00 2.20 2.04 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00