NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1257 8.1627 120.2910 54.7670 32.4795 175.3071 2 E 3.6605 8.7321 125.1884 59.0677 29.5554 177.0425 3 A 4.0369 8.1133 120.5171 55.1077 18.8943 179.2331 4 V 3.6397 7.4328 116.3218 66.0510 31.6754 178.1963 5 K 3.9870 8.2242 118.4962 59.7744 31.8574 179.4081 6 T 3.8593 8.1897 116.0806 66.5297 68.3260 176.3438 7 F 4.1099 8.3770 122.4450 61.4846 39.4220 176.6267 8 N 4.1617 8.7048 116.3681 56.5831 38.4170 177.4169 9 S 4.1182 8.1950 116.2890 61.7159 62.7265 176.7154 10 E 3.8893 7.7260 119.8061 59.1473 29.5448 178.9420 11 L 3.6374 7.5397 120.5875 58.2781 42.0991 178.5240 12 Y 4.0230 8.2913 119.8863 60.2475 38.6094 177.6824 13 S 4.2136 8.0954 115.0037 60.7348 62.9184 176.0424 14 L 4.0477 7.6890 123.1292 58.2782 41.1129 178.8939 15 N 3.9649 7.8267 114.7698 55.0605 38.4199 175.9521 16 D 4.5503 7.8410 119.1265 53.5698 41.5402 175.5496 17 Y 4.8001 7.4022 116.9664 55.7500 41.3711 174.8685 18 K 4.3389 8.6622 124.0082 54.6623 33.0643 175.0528 19 P 4.5403 0.0000 0.0000 61.7193 31.9336 174.3289 20 P 4.4543 0.0000 0.0000 62.4833 31.9834 176.3816 21 I 3.9007 8.2660 123.1400 60.8702 37.9314 176.8300 22 S 4.3222 8.2990 119.5787 58.1097 64.8606 175.6323 23 K 3.8958 8.5044 122.1985 59.4925 31.8372 179.3484 24 A 3.9375 7.9096 120.5620 55.1423 18.3498 179.4962 25 K 3.7514 7.9067 118.0333 59.7643 32.1663 178.7121 26 M 4.0293 7.9685 118.5446 58.9040 32.1080 178.3036 27 T 3.8531 8.2141 116.2573 66.6196 68.6066 176.5704 28 Q 3.9994 8.0250 119.8936 59.0533 28.7933 179.0105 29 I 3.6944 7.7690 120.6285 64.6809 37.1669 178.5993 30 T 3.9218 8.1592 116.6662 66.7105 68.2479 176.7206 31 K 3.9871 8.5955 120.4906 59.5550 31.8477 179.2407 32 A 4.1042 7.9953 119.7549 55.0145 18.6047 179.2248 33 A 3.8190 8.3704 119.3365 55.4031 18.5855 180.0150 34 I 3.9571 7.9990 118.3302 64.5831 37.0053 178.8861 35 K 4.1898 8.4030 118.2040 58.6661 31.9414 177.9977 36 A 4.8353 7.6704 119.8929 52.2518 19.1658 178.7095 37 I 3.6121 7.6147 122.7865 65.4809 37.9607 177.4414 38 K 3.8228 8.0337 119.3066 58.2159 32.2659 176.7316 39 F 4.9308 8.1043 118.6449 56.8382 39.7808 177.3529 40 Y 4.1198 8.0359 121.6946 60.1368 37.5427 177.3783 41 K 3.5810 6.8328 119.8513 59.4404 32.0592 178.8399 42 H 4.1462 8.0784 116.0973 58.5927 28.7072 177.7304 43 V 3.4356 7.8639 120.1542 66.0001 31.2696 178.2250 44 V 3.3211 7.8261 117.8590 65.9357 31.2177 177.5621 45 Q 4.0097 8.1078 119.2180 59.5441 28.8130 178.6707 46 S 4.2792 8.5067 116.2580 61.5894 62.8365 176.9212 47 V 3.8473 8.2661 121.0087 66.2099 31.3780 177.9685 48 E 4.1300 8.8781 118.8434 59.3541 29.3125 179.2916 49 K 4.0183 8.6126 120.0829 59.3086 32.2803 178.6064 50 F 4.0846 8.6211 121.0869 61.5534 39.1514 177.1912 51 I 3.7406 8.0091 118.0858 64.3490 36.9179 177.9332 52 Q 4.0839 8.1722 119.6873 58.5760 29.0679 177.5670 53 K 4.3792 7.6431 116.6051 55.6563 33.2197 176.5393 54 C 4.0977 6.9688 114.1120 56.7848 30.6095 173.6597 55 K 4.1427 8.2258 119.5166 55.8078 32.5558 176.3853 56 P 4.2005 0.0000 0.0000 65.9031 30.9943 178.5500 57 E 3.9893 7.9902 113.9188 58.2643 29.7671 177.3699 58 Y 4.6277 7.7963 117.1268 57.8635 38.3912 177.3820 59 K 3.8819 7.8428 121.2660 59.5092 32.2091 179.1956 60 V 3.1745 7.4866 117.7038 65.4712 31.4542 175.8139 61 P 4.3463 0.0000 0.0000 65.7178 31.2652 178.6654 62 G 3.7305 8.5345 104.5637 47.7945 0.0000 175.4628 63 L 3.9127 7.9367 122.9917 58.0878 42.0424 178.6500 64 Y 4.4441 8.2950 117.1466 60.9957 37.6883 178.6972 65 V 3.6324 8.1011 119.3227 66.1134 31.5511 178.0404 66 I 3.3190 7.5835 118.8607 64.3246 36.8738 177.6046 67 D 4.7843 8.5803 119.0088 57.8350 40.9857 178.5134 68 S 4.0966 8.6160 113.6852 61.3577 62.3555 176.0580 69 I 3.5519 7.9028 122.5647 64.4164 36.8295 178.6253 70 V 3.6417 7.9963 119.1717 66.1725 31.3533 178.3301 71 R 3.9484 8.3108 118.0705 59.1357 29.8018 178.8468 72 Q 3.9695 8.3997 119.7659 59.0862 29.0005 178.1278 73 S 4.4431 8.5483 114.6465 61.6715 62.5172 176.2962 74 R 4.1376 8.2643 120.8547 59.5012 29.5293 178.6361 75 H 4.0862 8.0132 117.1380 59.4072 30.0357 176.8705 76 Q 3.8343 8.1910 120.2052 57.9764 28.9468 176.2832 77 F 4.6600 8.2983 116.4937 56.2130 41.2048 176.1123 78 G 4.1435 8.0584 109.2829 44.7245 0.0000 174.9969 79 Q 3.9904 8.6570 121.0424 58.7379 28.8593 177.8013 80 E 4.2082 8.0447 114.7144 57.3845 29.9710 177.1148 81 K 4.2340 7.6314 116.4685 56.4279 33.2713 176.2651 82 D 4.2912 7.6282 118.4304 55.0086 41.3187 176.6254 83 V 3.6294 7.8596 118.5941 62.6078 32.6595 178.4645 84 F 4.1025 8.7042 119.5351 60.3133 38.8354 177.4672 85 A 3.8924 8.4909 120.3233 54.7573 17.8819 177.7814 86 P 4.2192 0.0000 0.0000 65.7845 31.6402 178.5266 87 R 4.0781 7.8418 117.2671 59.5523 29.8414 178.6118 88 F 4.5018 8.7784 116.9696 60.5163 39.0983 177.4331 89 S 4.4659 8.6045 114.2177 61.3461 62.4219 176.1421 90 N 4.3769 7.8794 119.1515 56.0952 38.6275 176.7744 91 N 5.0100 7.8771 115.4185 53.3160 39.6100 176.9117 92 I 3.9436 7.7402 123.8079 64.1256 37.8930 177.7839 93 I 3.7746 7.8480 120.4637 64.3684 37.0372 177.8301 94 S 4.1572 8.2358 113.4020 61.9234 62.0829 176.1685 95 T 3.9026 8.1813 118.1392 66.9181 68.2257 176.6928 96 F 3.6519 8.7473 119.7016 60.1098 38.6876 177.6208 97 Q 4.1995 8.3467 117.5221 59.4752 28.9319 178.8887 98 N 4.5034 8.2412 117.0876 56.2504 38.4508 177.4695 99 L 3.8136 7.9078 120.7042 57.8177 41.3922 178.3922 100 Y 4.7275 7.6722 113.3208 58.7022 37.8042 175.8665 101 R 4.4388 7.4673 119.2204 56.3005 30.0945 176.4165 102 C 4.4245 7.4350 113.8661 56.5746 30.7577 171.5952 103 P 4.3642 0.0000 0.0000 62.3174 31.6577 177.7616 104 G 3.8287 8.9593 110.5922 49.0208 0.0000 175.1566 105 D 4.5308 7.9446 116.7319 54.6782 40.0263 177.1098 106 D 4.5472 8.1474 120.1028 55.6098 41.1463 178.2886 107 K 4.0274 7.7904 120.1764 59.6755 32.0951 179.1536 108 S 4.2129 8.0836 113.7033 61.3299 62.9516 176.5732 109 K 4.0578 7.9732 122.2409 59.1141 31.7102 179.4296 110 I 3.5937 7.6231 119.8150 64.3750 37.1230 178.4683 111 V 3.6111 7.7546 118.7597 65.7375 31.3060 177.7830 112 R 3.8402 8.0841 118.6190 59.5498 29.8091 178.5638 113 V 3.3212 7.4784 117.1716 65.8806 31.4265 177.7870 114 L 3.7335 7.6679 118.5989 57.9887 41.4022 179.3541 115 N 4.3707 8.5177 116.6316 56.2955 38.3863 177.5427 116 L 4.0567 7.9561 120.4482 57.5584 41.6398 179.4647 117 W 4.5874 8.5889 119.4046 59.8869 29.1055 178.3575 118 Q 4.0453 8.5454 119.5011 59.2627 28.3915 178.1967 119 K 4.0430 8.2332 119.3478 58.9147 32.2948 177.4550 120 N 4.8055 8.2566 113.6300 51.8354 39.0217 174.3771 121 N 4.2888 7.9723 116.1234 54.2298 36.9899 176.2257 122 V 3.5924 8.3288 119.5829 65.1429 31.8415 175.8689 123 F 4.7861 7.7361 115.2862 54.7793 42.4867 174.9027 124 K 4.1801 8.4828 121.9307 56.3893 32.7615 178.3383 125 S 4.1427 8.8876 117.1098 61.6602 62.0381 176.0846 126 E 3.9852 8.2644 120.5621 59.3389 29.2792 178.4206 127 I 4.0161 7.8983 119.8074 64.0936 37.3526 178.3220 128 I 3.7648 7.5943 120.2706 64.0331 37.0062 177.9002 129 Q 3.9459 8.0812 120.5515 58.9750 28.8710 176.8752 130 P 4.2468 0.0000 0.0000 65.4110 31.3794 178.6434 131 L 3.9847 7.2750 118.5383 57.6691 41.4513 179.4521 132 L 4.0528 7.9154 119.0059 57.8675 41.4618 179.2401 133 D 4.3651 8.3369 118.9954 57.6297 40.6598 178.6399 134 M 3.9422 8.2791 119.0028 58.3038 31.7329 178.6098 135 A 3.3061 7.4045 118.9167 54.9946 18.9013 179.2795 136 A 4.0076 7.9773 119.0089 55.2386 18.5317 179.7071 137 A 4.0062 8.2698 119.5620 55.2808 18.1651 179.8595 138 L 3.9471 7.4177 116.4555 57.5407 41.7165 178.6850 139 E 4.1942 7.8872 116.2164 57.2875 29.7115 176.3557 140 H 4.5132 7.7741 121.4914 55.8004 29.1454 173.9605 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 M 8.16 4.13 0.00 0.97 1.63 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.82 0.00 2 E 8.73 3.66 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.51 0.00 3 A 8.11 4.04 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 4 V 7.43 3.64 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 1.03 0.00 0.00 0.67 0.00 0.00 5 K 8.22 3.99 0.00 1.95 1.83 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.63 7.81 6 T 8.19 3.86 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 1.27 0.00 0.00 7 F 8.38 4.11 0.00 3.26 3.35 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 8 N 8.70 4.16 0.00 2.91 2.87 0.00 0.00 7.10 7.59 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 9 S 8.19 4.12 0.00 4.00 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 10 E 7.73 3.89 0.00 1.89 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 0.00 2.48 2.47 0.00 11 L 7.54 3.64 0.00 0.73 1.30 0.32 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.29 4.02 0.00 3.09 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 13 S 8.10 4.21 0.00 4.24 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.69 4.05 0.00 1.56 1.72 0.51 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 15 N 7.83 3.96 0.00 2.30 2.58 0.00 0.00 7.02 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 16 D 7.84 4.55 0.00 2.40 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 17 Y 7.40 4.80 0.00 3.05 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 K 8.66 4.34 0.00 1.76 1.77 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.44 7.81 19 P 0.00 4.54 0.00 1.94 1.89 0.00 3.54 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.87 0.00 20 P 0.00 4.45 0.00 2.21 2.10 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 21 I 8.27 3.90 1.95 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.92 0.85 0.00 0.00 22 S 8.30 4.32 0.00 3.99 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 23 K 8.50 3.90 0.00 1.78 1.86 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.47 7.81 24 A 7.91 3.94 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 25 K 7.91 3.75 0.00 1.50 1.57 0.00 1.44 0.00 0.00 1.46 0.00 0.00 2.75 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.01 1.32 7.81 26 M 7.97 4.03 0.00 2.16 2.12 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.63 0.00 27 T 8.21 3.85 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 28 Q 8.03 4.00 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 29 I 7.77 3.69 2.01 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 1.35 0.87 0.96 0.00 0.00 30 T 8.16 3.92 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 31 K 8.60 3.99 0.00 1.93 1.91 0.00 1.68 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 1.49 1.64 7.81 32 A 8.00 4.10 1.56 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 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.37 3.82 1.15 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 0.00 0.00 34 I 8.00 3.96 2.12 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.39 1.22 0.00 0.00 35 K 8.40 4.19 0.00 1.97 1.98 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.65 7.81 36 A 7.67 4.84 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.61 3.61 2.08 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.47 0.89 0.00 0.00 38 K 8.03 3.82 0.00 1.50 1.23 0.00 1.50 0.00 0.00 0.92 0.00 0.00 2.61 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.42 1.14 7.81 39 F 8.10 4.93 0.00 3.20 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 40 Y 8.04 4.12 0.00 2.14 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 41 K 6.83 3.58 0.00 1.46 1.59 0.00 1.35 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.91 0.21 7.81 42 H 8.08 4.15 0.00 3.35 3.37 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.86 3.44 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 0.33 0.00 0.00 0.76 0.00 0.00 44 V 7.83 3.32 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 0.75 0.00 0.00 0.31 0.00 0.00 45 Q 8.11 4.01 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 46 S 8.51 4.28 0.00 4.41 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 47 V 8.27 3.85 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 1.36 0.00 0.00 1.43 0.00 0.00 48 E 8.88 4.13 0.00 2.29 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 0.00 2.56 2.76 0.00 49 K 8.61 4.02 0.00 2.08 2.08 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.57 7.81 50 F 8.62 4.08 0.00 3.33 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 51 I 8.01 3.74 2.08 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.98 0.85 0.00 0.00 52 Q 8.17 4.08 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 53 K 7.64 4.38 0.00 1.84 1.78 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.42 7.81 54 C 6.97 4.10 0.00 2.45 1.65 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 55 K 8.23 4.14 0.00 2.06 1.97 0.00 1.83 0.00 0.00 2.13 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.48 7.81 56 P 0.00 4.20 0.00 2.10 2.21 0.00 3.57 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 57 E 7.99 3.99 0.00 1.80 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 0.00 1.47 1.79 0.00 58 Y 7.80 4.63 0.00 3.07 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 59 K 7.84 3.88 0.00 1.67 1.71 0.00 1.71 0.00 0.00 1.49 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.59 1.52 7.81 60 V 7.49 3.17 1.80 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 0.23 0.00 0.00 0.76 0.00 0.00 61 P 0.00 4.35 0.00 2.56 2.24 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.17 0.00 62 G 8.53 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 63 L 7.94 3.91 0.00 1.46 1.56 0.74 0.54 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 64 Y 8.30 4.44 0.00 3.13 2.90 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 65 V 8.10 3.63 2.31 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 1.16 0.00 0.00 0.96 0.00 0.00 66 I 7.58 3.32 2.07 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 0.58 0.53 0.48 0.00 0.00 67 D 8.58 4.78 0.00 3.15 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 68 S 8.62 4.10 0.00 3.99 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 69 I 7.90 3.55 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 1.27 0.64 -0.06 0.00 0.00 70 V 8.00 3.64 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 0.68 0.00 0.00 1.09 0.00 0.00 71 R 8.31 3.95 0.00 2.00 1.99 0.00 3.26 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 72 Q 8.40 3.97 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 73 S 8.55 4.44 0.00 4.26 4.28 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 74 R 8.26 4.14 0.00 2.04 1.97 0.00 2.98 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 75 H 8.01 4.09 0.00 3.21 3.51 0.00 5.94 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 76 Q 8.19 3.83 0.00 1.94 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.52 0.00 0.00 0.00 0.00 0.00 1.16 1.93 0.00 77 F 8.30 4.66 0.00 3.16 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 78 G 8.06 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 0.00 0.00 0.00 79 Q 8.66 3.99 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 80 E 8.04 4.21 0.00 1.93 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 81 K 7.63 4.23 0.00 1.95 1.82 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.36 1.35 7.81 82 D 7.63 4.29 0.00 2.68 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 83 V 7.86 3.63 0.67 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 0.34 0.00 0.00 -0.36 0.00 0.00 84 F 8.70 4.10 0.00 3.29 3.30 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 0.00 85 A 8.49 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.22 0.00 1.97 2.10 0.00 3.65 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 2.04 2.06 0.00 87 R 7.84 4.08 0.00 2.08 2.00 0.00 3.15 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 88 F 8.78 4.50 0.00 3.44 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 89 S 8.60 4.47 0.00 4.23 4.55 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 90 N 7.88 4.38 0.00 2.86 2.99 0.00 0.00 6.94 9.26 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 91 N 7.88 5.01 0.00 3.03 2.89 0.00 0.00 6.64 7.43 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 92 I 7.74 3.94 2.24 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.87 0.98 0.00 0.00 93 I 7.85 3.77 1.94 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.84 0.98 0.00 0.00 94 S 8.24 4.16 0.00 3.95 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 95 T 8.18 3.90 4.61 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 1.15 0.00 0.00 96 F 8.75 3.65 0.00 3.25 3.11 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 97 Q 8.35 4.20 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.51 2.73 0.00 98 N 8.24 4.50 0.00 2.88 2.97 0.00 0.00 7.08 6.83 0.00 0.00 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 L 7.91 3.81 0.00 1.10 1.12 -0.44 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.67 4.73 0.00 3.01 2.90 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 0.00 101 R 7.47 4.44 0.00 1.98 1.93 0.00 3.16 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 102 C 7.43 4.42 0.00 2.98 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 0.00 103 P 0.00 4.36 0.00 2.30 1.98 0.00 3.70 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.03 0.00 104 G 8.96 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 7.94 4.53 0.00 2.76 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 D 8.15 4.55 0.00 2.92 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 0.00 107 K 7.79 4.03 0.00 1.87 1.93 0.00 1.63 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.51 7.81 108 S 8.08 4.21 0.00 4.05 4.13 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 0.00 109 K 7.97 4.06 0.00 1.92 1.90 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.47 7.81 110 I 7.62 3.59 2.11 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 1.27 0.67 0.80 0.00 0.00 111 V 7.75 3.61 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 1.04 0.00 0.00 1.06 0.00 0.00 112 R 8.08 3.84 0.00 2.04 2.10 0.00 3.17 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 113 V 7.48 3.32 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 0.03 0.00 0.00 1.04 0.00 0.00 114 L 7.67 3.73 0.00 1.83 1.65 0.89 0.17 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 0.00 115 N 8.52 4.37 0.00 2.90 2.88 0.00 0.00 7.08 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.96 4.06 0.00 1.87 1.81 0.91 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 117 W 8.59 4.59 0.00 3.62 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Q 8.55 4.05 0.00 2.30 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 119 K 8.23 4.04 0.00 1.92 2.06 0.00 1.87 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.49 1.52 7.81 120 N 8.26 4.81 0.00 2.96 2.88 0.00 0.00 7.11 7.59 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 0.00 121 N 7.97 4.29 0.00 2.89 2.90 0.00 0.00 6.85 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 8.33 3.59 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 0.27 0.00 0.00 1.05 0.00 0.00 123 F 7.74 4.79 0.00 2.95 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 0.00 124 K 8.48 4.18 0.00 1.88 1.77 0.00 1.71 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.46 7.81 125 S 8.89 4.14 0.00 3.93 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 0.00 126 E 8.26 3.99 0.00 2.02 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 2.32 2.43 0.00 127 I 7.90 4.02 2.12 0.00 0.00 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 1.60 1.09 0.93 0.00 0.00 128 I 7.59 3.76 1.94 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.67 0.95 0.00 0.00 129 Q 8.08 3.95 0.00 2.31 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 130 P 0.00 4.25 0.00 2.19 2.09 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 131 L 7.27 3.98 0.00 1.52 1.12 0.07 0.32 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 0.00 132 L 7.92 4.05 0.00 1.86 1.72 0.93 1.18 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 0.00 133 D 8.34 4.37 0.00 2.84 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 0.00 134 M 8.28 3.94 0.00 2.07 2.42 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.60 0.00 135 A 7.40 3.31 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 0.00 136 A 7.98 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.27 4.01 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 0.00 138 L 7.42 3.95 0.00 1.61 1.63 0.52 1.33 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 0.00 139 E 7.89 4.19 0.00 1.91 1.86 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 2.44 2.41 0.00 140 H 7.77 4.51 0.00 3.26 3.13 0.00 5.69 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