NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9477 8.0544 114.0561 62.7510 33.1264 173.0946 2 H 3.7637 8.6706 122.0363 56.2239 26.7424 172.6808 3 L 4.3016 7.3753 122.2558 53.8548 43.9348 177.2723 4 T 4.2569 8.6261 113.1174 60.4531 71.3512 174.2518 5 P 4.2052 0.0000 0.0000 65.4694 31.2521 178.6505 6 E 3.9270 8.0621 117.9517 59.1572 29.6154 178.6078 7 E 3.9024 7.9604 118.5488 59.1730 29.5700 179.0310 8 K 3.7999 8.1093 119.7426 59.7705 32.1206 178.9583 9 S 4.1256 8.2487 115.0917 61.5143 62.7554 176.5802 10 A 4.0052 8.0161 123.5597 54.9398 18.1145 179.9199 11 V 3.3729 8.1885 117.1605 66.4652 31.4945 178.4209 12 T 3.9614 7.9753 115.2104 66.6522 68.0773 176.5323 13 A 4.0498 8.1330 121.7950 55.0852 18.6497 179.1738 14 L 3.9244 8.1034 118.8608 57.9903 42.3383 178.9740 15 W 4.2703 8.7939 128.2311 59.9931 30.4146 177.8808 16 G 3.8024 8.0045 104.5840 46.6150 0.0000 174.1529 17 K 4.4225 7.8208 118.6453 56.2165 32.9906 176.6293 18 V 3.7478 7.0806 119.8208 62.1047 32.0096 176.0629 19 N 4.5084 8.1699 125.4589 51.9640 38.3757 175.1940 20 V 3.4774 8.0215 127.0777 65.9671 31.6992 176.9593 21 D 4.3399 8.0418 117.6843 57.5427 40.7324 178.6498 22 E 3.8714 8.6735 119.0669 59.5184 29.4467 179.6129 23 V 3.5579 7.9849 118.6748 65.8160 31.3902 178.3485 24 G 3.6610 8.1783 105.7971 47.6538 0.0000 176.0164 25 G 3.5953 7.9126 107.9041 47.4194 0.0000 175.4397 26 E 3.8631 8.3306 121.6329 58.8756 29.6251 178.8572 27 A 3.9325 8.2251 121.1303 55.0715 18.5522 179.3862 28 L 3.9606 8.3413 119.5089 58.1432 42.2411 179.4153 29 G 3.5425 8.2288 105.8242 47.8909 0.0000 175.9666 30 R 3.8756 8.0305 120.6036 58.6307 30.0237 178.7154 31 L 3.9733 8.0288 120.2908 58.4292 41.6353 179.2329 32 L 4.0864 7.7697 119.7674 56.7290 41.2220 179.5672 33 V 3.6033 7.1881 117.3873 65.5967 31.7267 177.9585 34 V 3.5026 8.0869 117.7229 64.2408 32.7201 175.6103 35 Y 3.9791 7.2369 116.0086 53.7895 37.9330 173.7520 36 P 4.3653 0.0000 0.0000 64.6236 31.9285 177.6896 37 W 4.3885 8.2742 114.9526 59.5169 27.8011 178.0334 38 T 4.3346 7.9058 110.6937 64.2245 68.1479 176.2091 39 Q 4.3171 8.2616 121.4796 58.2239 28.4775 177.7484 40 R 4.0456 7.5765 115.2151 57.4115 29.5491 177.4338 41 F 4.4320 7.3325 117.5884 57.2324 40.3342 175.5226 42 F 4.4648 7.7882 118.3631 56.2145 39.4738 177.0735 43 E 3.9903 8.3909 121.7439 59.2347 29.5989 178.6606 44 S 4.7133 8.0123 110.0687 58.3387 63.5405 174.5289 45 F 4.5184 8.3985 119.4969 58.4865 39.8142 176.5518 46 G 3.9743 8.0864 106.4105 44.1592 0.0000 174.0792 47 D 4.4278 8.5784 124.9313 54.6917 41.2334 175.9211 48 L 4.8679 8.3575 124.3869 54.3568 43.8489 177.6919 49 S 4.2797 8.4012 116.3848 60.8715 63.1428 174.7858 50 T 4.7320 7.4429 109.6123 58.1254 73.0043 172.7284 51 P 4.1881 0.0000 0.0000 66.0741 31.3900 178.6786 52 D 4.3082 8.0904 116.7512 57.2476 40.5190 178.6341 53 A 3.9771 7.6443 119.9336 55.0072 18.7806 179.5431 54 V 3.6668 8.0512 117.0481 66.6628 31.4732 178.3018 55 M 4.1996 8.2388 117.1883 57.5594 31.8476 178.0196 56 G 4.0671 7.7939 103.3333 43.4311 0.0000 173.1628 57 N 4.4033 7.5711 121.0384 52.7482 39.2258 173.6337 58 P 4.2721 0.0000 0.0000 66.0643 31.2447 178.5364 59 K 3.7760 8.3360 118.0184 58.7020 31.7030 179.5933 60 V 3.8229 7.8745 118.5031 65.9023 31.6532 178.0696 61 K 3.9653 8.1115 118.1001 59.3708 31.8775 179.2230 62 A 3.9961 8.3615 121.5121 55.4520 18.2186 179.2329 63 H 4.4214 8.5125 117.0054 59.2613 29.9118 177.6222 64 G 3.6497 8.5975 108.1426 47.6328 0.0000 175.5524 65 K 3.9802 8.0599 121.7141 59.2712 32.3461 179.1339 66 K 4.0051 7.9157 118.3151 59.3852 32.1280 179.4556 67 V 3.6236 7.9509 118.6438 66.1526 31.5107 177.9220 68 L 4.3706 8.4439 119.9698 57.6055 41.8245 179.0848 69 G 3.7440 8.2098 106.0891 47.8073 0.0000 175.6862 70 A 4.2624 8.2046 123.1104 54.7498 18.4483 179.5830 71 F 4.1930 8.4436 119.0447 61.4945 39.3104 177.1946 72 S 3.9816 8.5225 111.9762 61.7093 62.5569 175.6160 73 D 4.5967 8.5239 121.7137 57.3272 40.5600 178.9904 74 G 3.6283 7.9821 106.0891 47.6373 0.0000 175.5207 75 L 3.9740 7.1382 119.4104 57.0178 41.5887 178.5169 76 A 4.2173 7.5736 118.7171 52.9188 19.2458 176.7312 77 H 4.9089 8.4825 115.7212 54.5936 29.9700 175.5505 78 L 4.1162 8.1695 120.6480 57.6890 41.6776 178.3473 79 D 4.6886 7.9161 115.5603 54.8607 41.8415 175.8834 80 N 5.1090 8.5209 117.7680 51.4487 39.8435 176.1845 81 L 4.1103 8.0475 120.8412 57.8665 41.7879 179.2723 82 K 4.0986 8.1240 118.0563 59.5833 31.8547 179.5091 83 G 3.5853 7.9500 104.0462 48.0241 0.0000 175.3398 84 T 3.8033 7.8771 117.2921 65.6695 68.6426 175.7516 85 F 4.6383 8.1340 116.9115 56.9827 39.3126 177.2820 86 A 4.0690 7.7007 122.8932 55.7705 18.1362 180.4494 87 T 3.8306 7.8341 113.3896 66.9513 68.5880 176.8621 88 L 4.1380 7.9457 120.3429 57.5317 41.6787 179.2518 89 S 4.4341 8.7941 115.0306 61.0531 62.4103 176.1230 90 E 3.8837 8.3040 121.1255 59.1440 29.1393 179.0991 91 L 3.8721 7.9311 120.3020 58.7145 42.2646 178.8846 92 H 4.1305 8.7034 116.3640 58.5706 28.2359 177.3282 93 C 3.5384 7.6176 120.4043 62.0556 31.2485 175.4183 94 D 4.2304 8.1684 119.3481 56.8272 40.5353 177.6139 95 K 4.2110 7.7886 116.9315 57.9669 33.0324 177.9015 96 L 4.1616 7.6860 116.3848 55.0888 42.1863 176.1629 97 H 4.0856 7.1031 114.3101 56.5745 26.6964 174.9158 98 V 3.3948 7.7162 118.6187 61.2008 32.2895 174.7618 99 D 4.2727 8.5427 127.0653 53.7468 41.4335 174.9679 100 P 2.9700 0.0000 0.0000 64.4749 30.7604 177.9475 101 E 3.8706 8.3533 118.7161 59.1176 29.3616 178.3653 102 N 4.4198 8.0232 116.3936 55.7830 38.5092 177.3230 103 F 4.4848 7.4416 119.8306 60.4594 38.9320 177.5587 104 R 3.9315 7.9403 117.9246 59.3860 29.9371 178.4114 105 L 3.8540 7.5492 118.3371 57.7125 41.5009 179.2194 106 L 4.0780 8.3190 120.6447 58.0991 41.9706 179.2448 107 G 3.6336 8.2204 105.7084 47.9634 0.0000 175.4918 108 N 4.4799 8.3046 118.9902 56.0073 38.5272 177.7729 109 V 3.6702 8.1807 120.0093 65.7783 31.5149 177.8941 110 L 3.8951 8.3136 120.6554 58.0087 41.9179 179.0589 111 V 3.6132 7.8825 118.2865 66.3101 31.4015 177.8452 112 C 4.1611 8.1807 116.4833 62.6522 27.8935 176.3069 113 V 3.5162 7.8124 119.9499 65.9460 31.0812 178.1175 114 L 3.9040 7.9053 118.7145 57.5317 41.3448 179.4030 115 A 3.7374 7.3623 120.6224 55.2733 18.1318 179.1876 116 H 4.1176 8.1545 115.8679 59.7148 30.0312 176.7132 117 H 3.9898 8.2588 119.2272 58.6860 29.4995 176.4874 118 F 4.5239 8.5335 118.4892 57.4708 39.7335 177.1786 119 G 3.9876 8.6314 108.2685 45.8047 0.0000 176.1408 120 K 3.9908 9.0464 121.8040 59.5234 32.1047 177.6899 121 E 4.0670 7.8635 117.4426 58.4982 30.0563 177.0811 122 F 4.6721 8.4039 123.6818 56.9094 37.9227 175.0388 123 T 4.1328 7.3672 115.6710 60.5744 71.1235 173.4097 124 P 4.1735 0.0000 0.0000 65.4649 31.4247 177.3053 125 P 4.1902 0.0000 0.0000 65.2861 31.2819 178.9212 126 V 3.5849 7.4145 117.2340 65.6955 31.3866 177.7532 127 Q 3.3814 7.9403 119.5062 59.0857 28.9273 178.1582 128 A 4.0064 8.1325 121.6014 55.1332 18.3407 179.4751 129 A 3.8472 7.8772 118.7238 55.7235 18.5636 179.5861 130 Y 3.8726 8.2206 115.1142 61.1395 37.9519 178.9212 131 Q 4.1738 8.6330 119.7014 58.7865 28.7523 178.8919 132 K 3.9402 8.0052 119.3451 59.4452 32.0398 179.3215 133 V 3.4831 7.7588 118.3123 66.3384 31.4536 178.3936 134 V 3.7839 8.5658 112.0903 64.5434 31.3021 178.5460 135 A 4.1643 8.1874 120.5514 54.8623 18.1779 179.9306 136 G 3.4858 8.2330 104.5976 47.8591 0.0000 176.2384 137 V 3.2741 8.1029 120.6688 65.4215 31.5853 177.9707 138 A 3.8938 8.0528 120.6199 55.2057 18.0358 179.1048 139 N 4.2538 8.1914 114.2594 56.7358 39.4259 176.6397 140 A 4.1778 8.1425 122.2537 55.2755 18.1223 179.6818 141 L 3.9962 8.3353 117.2901 56.9733 41.5079 178.5708 142 A 4.6187 7.8852 119.2982 52.6723 19.0151 178.3719 143 H 4.1855 8.0485 117.0281 58.7268 30.0566 176.0402 144 K 4.4325 8.4750 116.6454 56.2916 32.1374 176.5171 145 Y 4.1334 7.8905 117.4619 58.5932 38.4109 175.8332 146 H 4.4203 8.3458 117.0284 56.2890 28.1205 173.4489 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 V 8.05 3.95 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 0.85 0.00 0.00 0.94 0.00 0.00 2 H 8.67 3.76 0.00 3.30 3.40 0.00 5.92 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.38 4.30 0.00 1.58 1.49 0.84 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.63 4.26 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 1.16 0.00 0.00 5 P 0.00 4.21 0.00 2.16 2.12 0.00 3.57 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 2.10 2.12 0.00 6 E 8.06 3.93 0.00 2.01 1.91 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 2.36 2.38 0.00 7 E 7.96 3.90 0.00 2.08 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 2.28 2.26 0.00 8 K 8.11 3.80 0.00 1.98 1.76 0.00 1.45 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.45 7.81 9 S 8.25 4.13 0.00 4.05 3.89 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 10 A 8.02 4.01 1.41 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 0.00 0.00 11 V 8.19 3.37 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 0.61 0.00 0.00 0.45 0.00 0.00 12 T 7.98 3.96 4.26 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 1.26 0.00 0.00 13 A 8.13 4.05 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 14 L 8.10 3.92 0.00 1.99 2.00 0.12 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.79 4.27 0.00 3.87 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 16 G 8.00 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 17 K 7.82 4.42 0.00 1.94 2.11 0.00 1.70 0.00 0.00 1.56 0.00 0.00 3.19 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.36 7.81 18 V 7.08 3.75 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 0.00 0.00 -0.02 0.00 0.00 0.76 0.00 0.00 19 N 8.17 4.51 0.00 2.69 2.55 0.00 0.00 6.82 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 20 V 8.02 3.48 2.13 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 1.24 0.00 0.00 0.97 0.00 0.00 21 D 8.04 4.34 0.00 2.85 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 22 E 8.67 3.87 0.00 1.93 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 2.27 2.36 0.00 23 V 7.98 3.56 1.91 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 1.01 0.00 0.00 0.66 0.00 0.00 24 G 8.18 3.66 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 0.00 0.00 0.00 25 G 7.91 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 0.00 0.00 0.00 26 E 8.33 3.86 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 27 A 8.23 3.93 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 8.34 3.96 0.00 1.72 1.63 0.84 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.23 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 0.00 0.00 0.00 30 R 8.03 3.88 0.00 1.89 1.91 0.00 3.09 0.00 0.00 3.02 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 31 L 8.03 3.97 0.00 1.79 1.87 1.02 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.77 4.09 0.00 1.86 1.63 0.82 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.19 3.60 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 0.70 0.00 0.00 0.93 0.00 0.00 34 V 8.09 3.50 1.43 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 -0.06 0.00 0.00 0.70 0.00 0.00 35 Y 7.24 3.98 0.00 2.53 1.43 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 36 P 0.00 4.37 0.00 2.24 2.14 0.00 3.87 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 2.15 2.12 0.00 37 W 8.27 4.39 0.00 3.49 3.47 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 0.00 38 T 7.91 4.33 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 1.21 0.00 0.00 39 Q 8.26 4.32 0.00 2.25 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 40 R 7.58 4.05 0.00 1.77 1.88 0.00 2.80 0.00 0.00 3.02 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.60 0.00 41 F 7.33 4.43 0.00 2.20 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.79 4.46 0.00 2.89 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.39 3.99 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.22 0.00 44 S 8.01 4.71 0.00 4.10 4.06 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 45 F 8.40 4.52 0.00 3.24 3.19 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 46 G 8.09 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 0.00 0.00 0.00 47 D 8.58 4.43 0.00 2.67 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.36 4.87 0.00 1.64 1.60 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.40 4.28 0.00 4.02 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 50 T 7.44 4.73 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 1.21 0.00 0.00 51 P 0.00 4.19 0.00 2.14 2.10 0.00 3.58 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 2.08 2.15 0.00 52 D 8.09 4.31 0.00 2.67 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 0.00 0.00 0.00 0.00 53 A 7.64 3.98 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.05 3.67 2.18 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 1.01 0.00 0.00 0.95 0.00 0.00 55 M 8.24 4.20 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.85 0.00 56 G 7.79 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 57 N 7.57 4.40 0.00 2.98 2.85 0.00 0.00 6.85 7.62 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 58 P 0.00 4.27 0.00 2.25 2.27 0.00 3.73 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.03 0.00 59 K 8.34 3.78 0.00 1.66 0.74 0.00 1.66 0.00 0.00 1.17 0.00 0.00 2.77 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.10 1.24 7.81 60 V 7.87 3.82 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 1.09 0.00 0.00 1.02 0.00 0.00 61 K 8.11 3.97 0.00 1.98 1.83 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.55 7.81 62 A 8.36 4.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.51 4.42 0.00 3.77 3.60 0.00 5.80 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 64 G 8.60 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 65 K 8.06 3.98 0.00 1.98 2.06 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.82 7.81 66 K 7.92 4.01 0.00 2.01 1.91 0.00 1.81 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.52 1.71 7.81 67 V 7.95 3.62 2.22 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 1.04 0.00 0.00 0.93 0.00 0.00 68 L 8.44 4.37 0.00 1.99 1.79 0.94 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.21 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 0.00 0.00 0.00 70 A 8.20 4.26 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.44 4.19 0.00 3.24 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 72 S 8.52 3.98 0.00 4.57 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.52 4.60 0.00 2.79 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 74 G 7.98 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.14 3.97 0.00 1.49 1.48 0.10 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.57 4.22 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 77 H 8.48 4.91 0.00 3.05 3.17 0.00 5.84 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.17 4.12 0.00 1.54 1.67 0.76 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.92 4.69 0.00 2.64 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 80 N 8.52 5.11 0.00 2.61 2.67 0.00 0.00 6.92 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.05 4.11 0.00 1.72 1.83 0.85 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.12 4.10 0.00 1.77 1.82 0.00 1.57 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.48 7.81 83 G 7.95 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.88 3.80 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 0.51 0.00 0.00 85 F 8.13 4.64 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.70 4.07 1.41 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 0.00 0.00 87 T 7.83 3.83 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 1.22 0.00 0.00 88 L 7.95 4.14 0.00 1.87 1.86 1.08 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.79 4.43 0.00 4.18 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.30 3.88 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 91 L 7.93 3.87 0.00 1.79 1.93 0.91 1.14 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 92 H 8.70 4.13 0.00 3.69 3.78 0.00 5.85 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.62 3.54 0.00 1.23 2.26 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 94 D 8.17 4.23 0.00 2.68 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 95 K 7.79 4.21 0.00 1.80 1.81 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.51 7.81 96 L 7.69 4.16 0.00 1.70 1.63 0.70 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.10 4.09 0.00 3.27 3.45 0.00 5.64 0.00 0.00 0.00 0.00 8.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.72 3.39 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 0.14 0.00 0.00 0.52 0.00 0.00 99 D 8.54 4.27 0.00 2.81 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 0.00 100 P 0.00 2.97 0.00 1.74 1.60 0.00 3.24 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.44 0.00 101 E 8.35 3.87 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 102 N 8.02 4.42 0.00 2.65 2.87 0.00 0.00 6.89 7.69 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 0.00 103 F 7.44 4.48 0.00 3.10 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 0.00 104 R 7.94 3.93 0.00 1.88 2.06 0.00 3.19 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 105 L 7.55 3.85 0.00 1.71 1.20 0.74 -0.01 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 0.00 106 L 8.32 4.08 0.00 1.82 1.88 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.22 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.30 4.48 0.00 2.96 2.96 0.00 0.00 6.67 7.75 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 0.00 109 V 8.18 3.67 2.27 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 1.07 0.00 0.00 1.19 0.00 0.00 110 L 8.31 3.90 0.00 1.67 1.75 0.92 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.88 3.61 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 1.34 0.00 0.00 1.19 0.00 0.00 112 C 8.18 4.16 0.00 3.18 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 V 7.81 3.52 2.14 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 0.93 0.00 0.00 0.96 0.00 0.00 114 L 7.91 3.90 0.00 0.90 1.03 0.59 1.31 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 A 7.36 3.74 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 8.15 4.12 0.00 3.11 3.44 0.00 5.78 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 0.00 117 H 8.26 3.99 0.00 2.82 2.83 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.53 4.52 0.00 3.31 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 0.00 119 G 8.63 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 0.00 0.00 0.00 120 K 9.05 3.99 0.00 1.76 1.93 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.49 7.81 121 E 7.86 4.07 0.00 2.10 2.26 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 2.33 2.28 0.00 122 F 8.40 4.67 0.00 2.93 3.16 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 0.00 123 T 7.37 4.13 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 1.31 0.00 0.00 124 P 0.00 4.17 0.00 2.15 2.13 0.00 3.57 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 2.11 2.18 0.00 125 P 0.00 4.19 0.00 2.12 2.06 0.00 3.54 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 2.08 2.10 0.00 126 V 7.41 3.58 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 1.05 0.00 0.00 0.92 0.00 0.00 127 Q 7.94 3.38 0.00 1.53 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.49 0.00 128 A 8.13 4.01 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 0.00 129 A 7.88 3.85 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 0.00 130 Y 8.22 3.87 0.00 3.36 3.31 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 0.00 131 Q 8.63 4.17 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.72 2.60 0.00 132 K 8.01 3.94 0.00 1.98 1.82 0.00 1.79 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.63 7.81 133 V 7.76 3.48 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 0.93 0.00 0.00 0.69 0.00 0.00 134 V 8.57 3.78 2.18 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 0.96 0.00 0.00 1.12 0.00 0.00 135 A 8.19 4.16 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 0.00 136 G 8.23 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 0.00 137 V 8.10 3.27 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 0.33 0.00 0.00 0.63 0.00 0.00 138 A 8.05 3.89 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.19 4.25 0.00 2.76 3.06 0.00 0.00 7.26 8.75 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 0.00 140 A 8.14 4.18 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 8.34 4.00 0.00 1.22 0.87 0.10 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.89 4.62 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 H 8.05 4.19 0.00 3.40 3.53 0.00 5.75 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.48 4.43 0.00 1.82 1.84 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.71 7.81 145 Y 7.89 4.13 0.00 3.08 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 0.00 146 H 8.35 4.42 0.00 3.21 3.24 0.00 5.75 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