NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5579 8.1633 120.2998 55.2878 34.3925 174.0171 2 N 5.4283 8.7817 118.2508 51.4416 40.8377 172.3254 3 L 4.6687 9.9091 126.5671 53.0446 44.8352 176.6094 4 R 4.7219 8.6779 123.8455 54.8630 28.6615 175.0621 5 I 4.6027 7.7479 120.4970 58.1624 41.8442 172.7742 6 P 4.3372 0.0000 0.0000 62.7014 32.0130 177.2831 7 W 4.4469 8.9963 132.3819 60.2953 30.6112 178.1433 8 K 2.4800 7.7879 117.1103 59.1297 31.8942 177.7884 9 E 4.1055 7.5506 116.2425 56.9270 29.8100 177.0896 10 V 4.4040 7.2739 113.2675 61.2481 32.3618 175.8840 11 Y 3.2999 7.4205 113.2500 58.8491 35.6593 169.5492 12 Y 2.3900 7.3775 113.6084 58.4183 35.5043 170.8604 13 L 4.4969 7.9027 118.4462 55.4279 42.8144 179.1968 14 G 4.0987 8.8999 108.2996 45.5259 0.0000 171.8345 15 Y 4.3495 8.5690 117.0782 55.8226 40.3561 174.4979 16 N 3.8971 7.3945 123.4617 53.4034 38.4960 174.1351 17 M 3.9456 8.1520 125.7226 54.9926 31.6566 177.1450 18 G 4.2300 7.5073 115.5069 44.9311 0.0000 174.5390 19 N 4.6291 7.6387 119.3863 53.2476 38.6787 174.0413 20 Y 4.9124 7.0712 116.0722 56.4782 41.7829 172.9445 21 I 4.6268 9.1107 120.8852 59.4208 39.8287 175.0837 22 K 5.0254 8.9236 129.3602 55.3984 33.0068 174.9427 23 I 5.2111 8.8809 128.5754 59.0980 40.9448 175.4046 24 S 4.7546 9.2447 123.3493 57.7377 64.3448 175.1562 25 E 4.0892 9.2189 121.2633 59.2671 29.3963 177.9379 26 P 3.7591 0.0000 0.0000 65.6902 31.0644 178.3289 27 E 4.0709 7.8152 117.1157 59.1905 29.3436 179.0362 28 L 4.1192 8.3479 120.6058 57.8746 42.1719 178.6310 29 L 3.9423 8.2933 120.7915 58.0095 42.0069 178.7682 30 F 4.2847 8.0679 119.7920 61.3993 39.4289 177.4960 31 V 3.7871 7.8625 118.7119 64.9766 30.9786 178.2865 32 L 4.1641 8.1991 119.1160 57.4800 41.4858 179.3013 33 R 4.1265 7.8096 117.0727 58.1770 30.2239 177.6803 34 N 4.7631 7.7246 114.0187 52.4525 41.1620 175.3723 35 K 4.6431 8.2078 120.1541 53.4047 32.5015 174.9748 36 P 4.4848 0.0000 0.0000 65.0170 31.7665 177.8469 37 Q 4.0626 8.1795 116.8972 59.0403 28.5231 178.7246 38 I 3.7864 7.9506 120.8371 63.9529 37.0388 178.1996 39 K 3.8612 7.9110 119.2197 60.0603 31.7569 178.9989 40 D 4.4058 7.9418 117.1077 57.0123 40.9439 178.4398 41 R 4.0503 7.7407 118.1534 58.9566 30.3074 177.7798 42 L 4.4752 8.1075 115.0301 52.8267 43.7455 175.9821 43 K 3.8595 8.0342 119.4899 57.4280 30.4708 174.2413 44 L 4.8713 7.4669 117.9719 52.4733 45.9358 176.4344 45 D 4.9577 8.2340 119.8042 52.0950 44.4620 176.6471 46 E 3.9009 8.6680 127.1438 59.4967 29.8500 179.0501 47 K 4.0143 8.1300 119.2172 59.6631 32.2197 178.9922 48 T 3.8687 7.9857 115.7628 66.6592 68.4567 176.6584 49 I 3.7751 7.6512 121.3067 64.0979 36.9850 178.5790 50 I 3.0839 7.5184 120.4166 63.9098 36.8757 178.2063 51 K 3.7254 7.7868 120.3587 59.7079 31.9039 178.6963 52 E 3.9878 8.2266 118.8600 59.0840 29.2195 179.6570 53 G 3.4032 7.8655 105.8334 47.8890 0.0000 176.2164 54 V 3.6210 7.0452 113.7164 62.7423 31.5649 177.9676 55 K 4.1808 7.1887 117.0093 58.2584 32.9725 178.5586 56 K 3.8542 7.3259 120.7171 57.7145 32.5648 176.2468 57 Y 4.9408 7.5428 114.5176 56.2544 41.2032 175.2537 58 K 4.4071 9.6457 122.0953 56.0496 32.9666 174.8446 59 N 4.2489 8.6925 119.2166 55.6405 37.0695 175.9654 60 F 3.9294 8.5694 120.8816 61.2238 39.4246 177.0433 61 W 4.0036 8.2268 117.8773 59.7397 28.5600 178.3064 62 E 4.1996 8.2526 118.2251 59.2245 28.9564 179.2661 63 I 3.3869 7.5252 119.8522 64.3416 37.0085 177.3804 64 Y 3.8223 7.4420 120.4278 61.2679 38.3840 178.0774 65 Y 3.9202 8.2455 117.4363 61.2334 37.9542 179.0151 66 T 3.8366 7.8885 116.7194 66.4318 68.5739 176.8410 67 V 3.3921 7.8895 120.6092 65.8711 31.4456 177.9801 68 K 3.0204 7.7439 119.2743 59.2015 31.9127 178.0824 69 D 4.3166 8.0615 118.3930 57.5315 41.1448 178.3898 70 L 4.0634 7.8939 119.2893 57.8082 41.6479 179.5344 71 I 3.9386 7.5244 121.1569 63.8298 36.7937 178.3795 72 L 4.1925 7.7083 118.0779 56.8355 41.5647 178.6794 73 R 4.2806 7.4916 116.3857 56.2849 30.3937 177.0723 74 G 3.8060 7.8763 107.4489 45.0738 0.0000 173.1435 75 Y 4.5871 7.7518 118.0501 57.0635 40.4014 174.2968 76 R 4.8956 8.2636 119.0213 54.7747 32.9407 176.0129 77 V 5.3443 8.3351 115.3639 60.0558 36.3654 174.6404 78 R 4.9880 8.7321 116.5781 55.1301 33.0953 173.9509 79 F 5.2384 9.4454 124.5409 57.7281 39.9506 175.1504 80 D 5.0297 8.2342 126.8750 52.4277 39.6960 176.7197 81 G 3.8460 6.7332 108.4662 45.5363 0.0000 173.8147 82 F 4.5756 7.8040 117.9147 59.2845 41.3464 174.3739 83 F 5.3907 8.8867 118.9960 56.2320 41.8478 174.4919 84 I 4.9464 9.0767 122.4477 60.4519 38.8960 175.0452 85 E 4.6365 9.6059 128.1698 55.8801 30.9070 175.3323 86 L 4.9403 8.8785 127.3528 53.4976 43.1674 174.5741 87 Y 5.0949 8.6144 124.0509 55.7453 40.5596 175.3958 88 E 4.5302 8.9927 120.2732 56.0451 31.2702 176.4311 89 K 3.9540 8.6968 120.6444 58.0119 32.6505 175.7272 90 G 4.2038 9.0717 113.8230 45.9928 0.0000 174.2519 91 I 4.0312 6.9905 111.4225 59.5050 39.1339 174.7600 92 I 3.6593 7.5411 121.7004 58.3003 39.1054 173.2956 93 P 2.9700 0.0000 0.0000 64.0226 31.4836 176.3593 94 G 4.1749 7.9699 109.8531 45.9343 0.0000 175.0573 95 T 4.0137 7.4733 115.6887 66.0172 68.5075 173.5618 96 I 4.7595 7.2627 110.7696 58.9432 40.7311 174.2517 97 E 4.2249 8.6241 119.2767 56.2582 29.8141 177.1541 98 Q 3.4377 8.0954 119.7118 55.9221 29.4684 176.1532 99 D 4.3368 8.3541 120.1960 57.2271 41.3377 176.4820 100 Y 4.8770 7.6137 113.9026 56.0851 42.9839 174.1824 101 L 5.1365 8.9051 122.6544 53.1126 44.0032 175.7760 102 V 5.3566 9.0293 124.1519 59.2036 34.2723 173.9248 103 Y 5.1889 8.5363 125.7634 55.3587 40.6820 172.1833 104 P 5.0269 0.0000 0.0000 62.0653 32.8342 175.6357 105 V 4.6017 8.9461 116.1587 59.6382 36.4733 174.8434 106 S 4.9643 8.4658 116.9652 56.8025 65.1563 175.4129 107 G 3.7186 8.6847 109.2984 48.7465 0.0000 175.0252 108 E 4.0957 8.0358 117.8838 58.1606 29.8848 177.3445 109 I 3.7452 7.1779 119.1234 61.5416 37.4516 175.3756 110 R 4.5750 8.4493 124.1873 54.5696 31.9325 175.1800 111 M 4.7932 7.9596 120.5651 53.1467 35.8571 174.9219 112 T 4.2322 8.5693 120.0579 62.7758 70.8703 176.4302 113 W 4.3727 8.7265 123.8930 59.9450 29.1896 179.1906 114 G 3.7587 8.3080 105.3081 47.7901 0.0000 175.4970 115 E 4.0715 8.0889 120.4492 59.0673 29.5691 178.8843 116 L 4.0360 8.0013 120.5085 58.0279 42.1360 178.8207 117 L 4.2176 8.1791 120.4276 58.1438 42.0455 178.4619 118 D 4.3507 8.1778 118.9767 57.5949 40.2697 178.9742 119 I 3.7085 7.5584 119.5513 64.5764 36.9151 177.9380 120 Y 3.3331 7.8154 120.2978 60.5351 38.5180 177.7043 121 N 4.0146 8.7583 117.7371 55.8307 38.0689 177.3078 122 K 3.8924 8.0807 121.1780 59.4029 32.4152 178.7826 123 A 3.9246 7.7031 120.1566 55.0115 18.1666 179.6789 124 I 3.5516 7.5487 118.2292 64.4344 36.9073 178.5238 125 A 3.9658 7.9869 120.7492 54.7833 18.2143 178.9199 126 R 4.1925 7.3148 112.9841 55.3963 30.4879 176.4316 127 K 3.8842 8.1321 117.4562 57.6829 30.2058 174.8776 128 S 4.7569 7.6593 110.2666 56.0144 65.9249 173.7237 129 K 4.3555 8.3768 123.0700 56.4622 33.4229 175.6166 130 F 5.4960 9.0245 124.6212 56.7747 42.8434 173.5668 131 M 4.8100 7.5903 123.8579 53.6101 35.6710 173.4415 132 L 4.5468 8.8879 128.4907 54.1714 44.2224 174.9218 133 A 4.7814 8.9458 128.0169 50.2522 21.4815 174.9398 134 I 4.7569 8.7625 124.5775 60.1176 39.2823 175.3199 135 V 4.7466 8.5331 121.7517 59.4519 33.5481 176.1564 136 D 4.6440 8.8729 126.4934 52.1258 40.7403 177.1018 137 S 4.1293 8.3649 112.6183 60.3843 63.0533 174.5903 138 E 4.0928 8.1625 119.1095 56.1631 29.7367 176.8054 139 G 2.5852 7.8029 107.4314 44.8898 0.0000 173.5682 140 D 4.4753 8.0443 119.8907 53.6160 41.6318 175.3525 141 V 4.7056 7.9815 121.4517 61.2418 34.3164 174.4432 142 T 4.4766 8.5905 121.5065 60.3220 70.4312 171.9265 143 Y 5.1561 8.1854 124.6657 56.3941 41.0642 174.7689 144 Y 4.7381 9.0317 120.3832 56.3369 41.8538 174.0577 145 E 4.8969 9.1081 125.8342 55.6306 30.9290 175.2002 146 F 4.9608 8.9011 125.1675 56.0388 40.7469 175.6756 147 R 5.0599 8.2141 119.8118 53.0932 33.9944 175.1039 148 K 4.3287 8.7925 120.5139 55.9795 32.9429 176.3797 149 L 4.3416 8.2705 125.2196 54.1420 42.8321 175.8817 150 R 4.2725 7.9508 120.9776 56.0458 32.4485 173.7178 151 S 4.2591 8.7096 123.3708 60.1331 63.6337 173.6971 152 N 4.5502 7.8466 123.0309 53.6987 38.8562 174.4179 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 4.56 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 2 N 8.78 5.43 0.00 2.48 2.43 0.00 0.00 6.81 6.97 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 3 L 9.91 4.67 0.00 1.65 1.62 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 4 R 8.68 4.72 0.00 1.73 1.94 0.00 3.20 0.00 0.00 3.15 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.66 0.00 5 I 7.75 4.60 1.91 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 1.43 0.71 0.98 0.00 0.00 6 P 0.00 4.34 0.00 2.28 1.98 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.10 0.00 7 W 9.00 4.45 0.00 3.29 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 8 K 7.79 2.48 0.00 1.65 1.64 0.00 1.64 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.35 7.81 9 E 7.55 4.11 0.00 2.11 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 2.21 2.17 0.00 10 V 7.27 4.40 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 0.87 0.00 0.00 1.22 0.00 0.00 11 Y 7.42 3.30 0.00 3.28 3.13 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 12 Y 7.38 2.39 0.00 2.63 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 0.00 0.00 0.00 0.00 13 L 7.90 4.50 0.00 1.95 1.89 1.10 0.86 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 14 G 8.90 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.57 4.35 0.00 2.88 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 16 N 7.39 3.90 0.00 1.44 1.66 0.00 0.00 7.15 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 17 M 8.15 3.95 0.00 1.38 0.64 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.32 0.00 18 G 7.51 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 19 N 7.64 4.63 0.00 2.93 3.00 0.00 0.00 5.80 7.55 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 20 Y 7.07 4.91 0.00 3.17 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 21 I 9.11 4.63 1.98 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 1.26 1.18 1.09 0.00 0.00 22 K 8.92 5.03 0.00 2.01 1.80 0.00 1.66 0.00 0.00 1.86 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.53 7.81 23 I 8.88 5.21 2.06 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.26 1.10 0.00 0.00 24 S 9.24 4.75 0.00 4.37 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 9.22 4.09 0.00 2.40 2.38 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 2.58 2.53 0.00 26 P 0.00 3.76 0.00 1.72 1.45 0.00 3.66 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.29 0.00 27 E 7.82 4.07 0.00 2.40 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 2.37 2.33 0.00 28 L 8.35 4.12 0.00 2.03 1.75 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 29 L 8.29 3.94 0.00 1.86 1.59 -0.04 1.01 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 30 F 8.07 4.28 0.00 3.36 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 31 V 7.86 3.79 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.07 0.00 0.00 32 L 8.20 4.16 0.00 1.77 1.79 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.81 4.13 0.00 1.77 1.98 0.00 3.20 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 34 N 7.72 4.76 0.00 2.16 2.64 0.00 0.00 6.80 7.54 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 35 K 8.21 4.64 0.00 1.99 1.71 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.34 1.49 7.81 36 P 0.00 4.48 0.00 2.16 2.10 0.00 3.61 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 2.11 2.17 0.00 37 Q 8.18 4.06 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 38 I 7.95 3.79 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 1.76 0.87 0.95 0.00 0.00 39 K 7.91 3.86 0.00 1.95 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.48 1.58 7.81 40 D 7.94 4.41 0.00 2.63 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 41 R 7.74 4.05 0.00 1.91 2.14 0.00 3.23 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 42 L 8.11 4.48 0.00 1.78 1.69 0.94 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.03 3.86 0.00 1.88 1.81 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.39 7.81 44 L 7.47 4.87 0.00 1.62 1.53 1.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.23 4.96 0.00 2.75 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.67 3.90 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 47 K 8.13 4.01 0.00 1.91 1.86 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.49 7.81 48 T 7.99 3.87 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 1.19 0.00 0.00 49 I 7.65 3.78 1.97 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 1.55 0.69 0.96 0.00 0.00 50 I 7.52 3.08 1.92 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 1.19 0.77 0.72 0.00 0.00 51 K 7.79 3.73 0.00 1.90 1.88 0.00 1.60 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.43 7.81 52 E 8.23 3.99 0.00 1.98 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 2.45 2.44 0.00 53 G 7.87 3.40 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 0.00 0.00 0.00 0.00 54 V 7.05 3.62 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 0.18 0.00 0.00 0.83 0.00 0.00 55 K 7.19 4.18 0.00 1.98 1.86 0.00 1.55 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.35 7.81 56 K 7.33 3.85 0.00 1.73 0.98 0.00 1.81 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.85 1.21 7.81 57 Y 7.54 4.94 0.00 3.08 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 58 K 9.65 4.41 0.00 1.76 1.87 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.53 7.81 59 N 8.69 4.25 0.00 2.87 3.15 0.00 0.00 7.31 7.71 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 60 F 8.57 3.93 0.00 3.26 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 61 W 8.23 4.00 0.00 3.59 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 62 E 8.25 4.20 0.00 2.16 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 2.36 2.53 0.00 63 I 7.53 3.39 1.30 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.28 -0.19 0.00 0.00 64 Y 7.44 3.82 0.00 2.20 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 Y 8.25 3.92 0.00 3.05 2.95 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 66 T 7.89 3.84 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 1.27 0.00 0.00 67 V 7.89 3.39 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.82 0.00 0.00 68 K 7.74 3.02 0.00 1.41 1.66 0.00 1.59 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.72 7.81 69 D 8.06 4.32 0.00 2.92 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 70 L 7.89 4.06 0.00 1.67 1.65 0.83 0.13 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 71 I 7.52 3.94 1.33 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.30 0.74 0.00 0.00 72 L 7.71 4.19 0.00 1.70 1.76 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.49 4.28 0.00 2.03 1.99 0.00 3.18 0.00 0.00 3.29 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 74 G 7.88 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 0.00 0.00 0.00 75 Y 7.75 4.59 0.00 3.06 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 76 R 8.26 4.90 0.00 1.96 1.69 0.00 3.16 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.48 0.00 77 V 8.34 5.34 2.19 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 0.75 0.00 0.00 0.88 0.00 0.00 78 R 8.73 4.99 0.00 1.87 2.01 0.00 2.21 0.00 0.00 3.01 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 79 F 9.45 5.24 0.00 2.87 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 80 D 8.23 5.03 0.00 2.97 2.99 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 81 G 6.73 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 0.00 0.00 0.00 82 F 7.80 4.58 0.00 2.77 2.74 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 83 F 8.89 5.39 0.00 3.39 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 84 I 9.08 4.95 1.98 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.83 0.97 0.00 0.00 85 E 9.61 4.64 0.00 2.07 1.75 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 2.43 2.43 0.00 86 L 8.88 4.94 0.00 1.61 1.57 0.51 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 8.61 5.09 0.00 3.06 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.99 4.53 0.00 2.18 2.23 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 2.47 2.50 0.00 89 K 8.70 3.95 0.00 1.69 1.67 0.00 1.48 0.00 0.00 1.41 0.00 0.00 2.24 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.99 0.95 7.81 90 G 9.07 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 0.00 0.00 0.00 0.00 91 I 6.99 4.03 1.82 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.71 0.95 0.00 0.00 92 I 7.54 3.66 0.77 0.00 0.00 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 0.65 0.81 0.62 0.00 0.00 93 P 0.00 2.97 0.00 2.03 1.61 0.00 2.92 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.67 0.00 94 G 7.97 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 0.00 0.00 0.00 95 T 7.47 4.01 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 1.21 0.00 0.00 96 I 7.26 4.76 1.92 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 1.49 0.82 0.94 0.00 0.00 97 E 8.62 4.22 0.00 1.95 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 2.31 2.38 0.00 98 Q 8.10 3.44 0.00 1.51 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.07 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 99 D 8.35 4.34 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Y 7.61 4.88 0.00 2.65 2.64 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 0.00 0.00 0.00 0.00 101 L 8.91 5.14 0.00 1.22 0.86 0.66 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 102 V 9.03 5.36 2.07 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 0.95 0.00 0.00 1.00 0.00 0.00 103 Y 8.54 5.19 0.00 3.72 3.22 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 0.00 104 P 0.00 5.03 0.00 1.91 1.88 0.00 3.11 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 1.65 1.81 0.00 105 V 8.95 4.60 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 0.81 0.00 0.00 1.02 0.00 0.00 106 S 8.47 4.96 0.00 3.91 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 0.00 107 G 8.68 3.72 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 0.00 0.00 0.00 108 E 8.04 4.10 0.00 1.96 2.03 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 2.32 2.39 0.00 109 I 7.18 3.75 1.88 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 1.32 0.76 0.95 0.00 0.00 110 R 8.45 4.58 0.00 1.76 1.80 0.00 3.16 0.00 0.00 3.14 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.67 0.00 111 M 7.96 4.79 0.00 1.76 1.82 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.51 0.00 112 T 8.57 4.23 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 1.33 0.00 0.00 113 W 8.73 4.37 0.00 3.44 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.31 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.09 4.07 0.00 2.23 2.03 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 2.42 2.39 0.00 116 L 8.00 4.04 0.00 1.82 2.03 1.15 0.87 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 0.00 117 L 8.18 4.22 0.00 1.97 1.94 1.04 1.33 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 0.00 118 D 8.18 4.35 0.00 2.99 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 0.00 119 I 7.56 3.71 1.90 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.14 0.60 0.00 0.00 120 Y 7.82 3.33 0.00 2.62 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 0.00 121 N 8.76 4.01 0.00 2.85 2.75 0.00 0.00 6.66 8.70 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 0.00 122 K 8.08 3.89 0.00 2.09 2.17 0.00 1.03 0.00 0.00 1.12 0.00 0.00 2.75 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.37 7.81 123 A 7.70 3.92 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 0.00 124 I 7.55 3.55 1.71 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.22 0.78 0.00 0.00 125 A 7.99 3.97 1.30 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 0.00 0.00 126 R 7.31 4.19 0.00 2.01 1.97 0.00 3.37 0.00 0.00 3.28 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 127 K 8.13 3.88 0.00 1.86 1.86 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.33 7.81 128 S 7.66 4.76 0.00 3.79 3.60 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 0.00 0.00 0.00 0.00 129 K 8.38 4.36 0.00 1.40 1.57 0.00 1.37 0.00 0.00 1.44 0.00 0.00 2.49 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.43 7.81 130 F 9.02 5.50 0.00 3.24 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 0.00 131 M 7.59 4.81 0.00 1.83 1.53 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 132 L 8.89 4.55 0.00 1.59 1.71 1.21 1.09 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 0.00 133 A 8.95 4.78 0.96 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 0.00 134 I 8.76 4.76 2.01 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.91 0.92 0.00 0.00 135 V 8.53 4.75 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.97 0.00 0.00 136 D 8.87 4.64 0.00 2.80 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 0.00 137 S 8.36 4.13 0.00 3.94 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 0.00 138 E 8.16 4.09 0.00 1.94 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 2.18 2.21 0.00 139 G 7.80 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 0.00 0.00 0.00 140 D 8.04 4.48 0.00 2.97 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 0.00 141 V 7.98 4.71 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 -0.06 0.00 0.00 0.81 0.00 0.00 142 T 8.59 4.48 4.09 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 1.26 0.00 0.00 143 Y 8.19 5.16 0.00 2.62 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 0.00 144 Y 9.03 4.74 0.00 3.04 2.96 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 0.00 145 E 9.11 4.90 0.00 2.01 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 2.46 2.78 0.00 146 F 8.90 4.96 0.00 2.51 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 0.00 0.00 0.00 147 R 8.21 5.06 0.00 1.79 1.86 0.00 3.37 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 148 K 8.79 4.33 0.00 1.84 1.82 0.00 1.85 0.00 0.00 1.88 0.00 0.00 2.62 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.74 1.43 7.81 149 L 8.27 4.34 0.00 1.59 1.58 0.93 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 150 R 7.95 4.27 0.00 1.74 1.75 0.00 3.35 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.67 0.00 151 S 8.71 4.26 0.00 3.90 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 N 7.85 4.55 0.00 2.63 2.65 0.00 0.00 6.80 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