NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4166 8.2649 123.5883 51.5726 20.9275 175.9258 2 K 4.2993 7.4961 113.9488 54.2988 34.7600 174.4065 3 K 4.0704 8.5707 124.5495 56.8023 32.2319 177.5616 4 V 3.8038 8.3457 126.9240 61.8302 31.5104 175.5472 5 Q 4.4967 8.6010 124.8548 53.2198 31.9094 174.1172 6 A 4.1342 8.3015 121.5963 52.7224 18.8957 176.0755 7 Y 5.0445 7.7770 118.2982 56.7583 41.3809 174.4784 8 V 4.6764 9.0540 113.6876 59.3319 35.0980 174.9261 9 K 5.1771 8.3500 123.0059 55.2622 35.0827 175.1123 10 L 4.4893 8.4186 120.6386 55.0323 44.1926 173.6311 11 Q 4.8764 8.7406 119.4257 55.0542 29.8154 174.9451 12 V 4.5237 8.0567 117.0826 58.7330 34.8620 175.7405 13 A 4.2910 8.7799 125.8574 52.0919 18.3549 176.7329 14 A 3.9286 8.2181 121.1349 53.6242 18.7326 179.1961 15 G 3.9493 7.6067 107.7044 41.0000 0.0000 171.7653 16 M 4.1761 7.7391 119.7207 55.7718 35.0938 173.8128 17 A 4.2373 8.5059 126.9568 52.2416 21.8633 175.0508 18 N 4.6320 9.0485 116.9775 52.8127 38.1636 172.9012 19 P 4.3540 0.0000 0.0000 62.7438 31.9562 176.5918 20 S 4.0075 8.7451 116.9757 61.3070 62.5293 173.4796 21 P 4.3588 0.0000 0.0000 65.3845 31.0564 175.9936 22 P 4.4353 0.0000 0.0000 65.1344 33.0402 178.0739 23 V 4.2363 7.8163 107.0567 60.0482 32.9938 181.9581 24 G 3.8884 9.5419 121.9143 46.5298 0.0000 173.1980 25 P 4.1112 0.0000 0.0000 66.0663 31.1978 175.8951 26 A 3.9242 7.8948 118.3462 55.2165 18.5509 178.8157 27 L 4.2444 7.5614 115.7621 56.7221 41.3779 179.0173 28 G 3.6302 8.5272 107.7612 47.9260 0.0000 175.6840 29 Q 4.0159 7.5732 119.7040 58.9938 28.8005 178.6170 30 Q 4.1583 7.6669 117.4831 57.2450 28.6408 177.3498 31 G 4.0114 7.6600 108.1221 45.3571 0.0000 173.9378 32 V 3.8717 7.4236 117.9101 62.5125 32.3084 176.7567 33 N 4.8357 8.8576 123.1516 51.3209 37.1360 175.6873 34 I 3.7144 8.0404 125.8410 64.6928 37.2016 176.6743 35 M 4.0098 8.2257 118.0132 58.8663 31.8732 177.7210 36 E 4.0358 8.2894 118.5755 59.2448 29.6898 178.2946 37 F 4.3655 8.7534 120.9433 61.4577 39.3837 176.4564 38 C 4.0235 8.4687 114.6239 61.6196 28.9358 175.9934 39 K 3.9783 7.8670 121.6028 58.6267 31.6612 178.7629 40 A 4.1115 8.3539 121.6929 55.3121 18.3745 179.0070 41 F 4.1750 8.8914 120.2453 61.4014 39.5012 176.8294 42 N 4.0015 8.2143 115.7362 56.3203 38.1539 176.9122 43 A 4.0114 7.3684 121.3239 55.3399 18.7984 179.2471 44 K 4.0376 7.7245 116.5113 59.0338 32.3263 179.2783 45 T 3.6524 7.6270 116.3773 66.3595 67.9186 176.2046 46 D 4.2791 7.5158 119.7826 57.2871 40.9148 178.5456 47 S 4.1799 7.8013 111.7656 61.4494 62.6350 175.5012 48 I 3.8086 7.5162 121.2633 61.1728 37.2674 176.0784 49 E 5.0952 7.3181 116.1475 55.9992 32.3636 176.1917 50 K 4.4783 8.8016 122.2605 55.7467 34.3663 176.7684 51 G 3.9679 9.0143 109.7555 45.0207 0.0000 173.2507 52 L 4.6252 7.3730 119.0775 51.8603 43.5259 174.1848 53 P 4.3868 0.0000 0.0000 63.1862 31.8244 175.7426 54 I 4.6700 8.2216 125.9145 58.6203 39.1816 173.8469 55 P 4.7968 0.0000 0.0000 62.5893 32.7001 175.5964 56 V 4.8474 9.0945 123.8742 59.8405 35.1502 175.0188 57 V 4.1725 8.1012 122.0084 61.3832 32.7147 174.2800 58 I 4.4174 8.4548 130.1832 61.0964 38.4797 175.3369 59 T 4.7288 9.3599 125.2410 61.8558 70.1661 173.7027 60 V 4.4235 7.7898 126.3913 62.1852 33.2099 175.0360 61 Y 4.8416 8.5434 124.1495 55.8874 40.6520 176.6125 62 A 4.1972 8.6179 122.2664 55.7105 18.7541 178.6568 63 D 4.4829 8.3583 114.6565 54.1887 40.5820 176.5602 64 R 3.8515 7.8245 111.8342 55.7638 29.3034 175.9495 65 S 4.7394 7.9851 113.9988 58.6796 64.6413 172.0930 66 F 5.5643 7.6784 113.5080 57.5943 40.0666 172.4986 67 T 5.2798 8.2269 113.3555 61.0487 71.5440 171.8532 68 F 5.9097 8.3514 116.5746 56.6137 40.3233 173.4261 69 V 4.2681 8.4890 121.5033 61.5600 33.7183 174.2905 70 T 4.6046 8.6111 125.1542 62.9227 69.0349 174.5454 71 K 4.5379 7.9329 128.6611 55.0978 34.3846 176.5521 72 T 4.3817 8.6212 109.8008 60.5003 69.8839 172.5591 73 P 4.3471 0.0000 0.0000 61.9490 32.1667 174.9824 74 P 4.3518 0.0000 0.0000 63.1147 33.4270 177.5210 75 A 4.0700 8.5360 120.8829 54.9901 18.3794 180.2020 76 A 3.9551 7.8957 119.1890 55.4711 18.5773 180.1401 77 V 3.6101 7.7081 110.4987 64.5569 31.7349 178.7104 78 L 4.0643 7.8526 118.2943 57.6661 41.3473 179.5279 79 L 4.1014 7.9190 118.7435 57.3284 41.5588 179.6045 80 K 3.9978 7.9740 118.9540 59.2668 32.1554 179.5372 81 K 4.0035 8.0987 118.9790 59.9396 32.3653 179.0938 82 A 3.9897 7.9170 120.9089 54.7340 18.3924 179.0505 83 A 4.1880 8.3481 118.3293 52.8614 18.6777 178.7542 84 G 3.8249 7.7014 104.5773 45.6138 0.0000 173.3887 85 I 4.3741 7.4336 112.6386 59.2387 39.6593 175.7106 86 K 4.2442 8.5103 119.4502 57.7870 32.7738 176.6407 87 S 4.8072 7.6032 111.5527 56.0494 66.8039 173.6747 88 G 3.8950 8.2073 109.1593 45.6664 0.0000 172.7730 89 S 4.2125 7.9914 112.3655 58.8386 62.8522 175.1297 90 G 4.3545 8.9579 108.8230 45.0102 0.0000 173.7378 91 K 4.6137 7.2455 116.4615 54.0075 32.4808 173.5917 92 P 4.2635 0.0000 0.0000 64.5068 32.6420 177.8766 93 N 4.3654 8.9864 122.2036 54.6777 37.8007 176.2866 94 K 4.0860 8.8238 117.0133 58.7825 32.2526 176.6949 95 D 4.7635 7.7493 115.9499 52.0741 43.5212 174.8204 96 K 4.4661 8.6377 126.2833 55.9012 32.7952 176.7749 97 V 3.9178 8.1539 124.9020 65.1911 32.4867 175.3549 98 G 4.3400 7.6370 105.8103 45.3693 0.0000 171.7164 99 K 5.1662 8.3868 117.5848 55.4164 36.1276 175.8888 100 I 4.7997 8.9518 121.6258 59.4311 41.6271 175.4572 101 S 4.6752 8.5564 120.4501 57.8436 63.9574 175.3827 102 R 3.9166 8.5821 122.2936 59.3715 29.5965 179.0103 103 A 3.9849 7.9207 120.3219 55.3215 18.4902 179.4135 104 Q 4.4734 7.8547 117.4618 58.5727 28.7401 178.7924 105 L 3.9916 7.9955 119.5682 57.9662 41.5616 179.2958 106 Q 3.9364 7.9580 118.6844 59.1599 29.0881 177.8272 107 E 4.7748 7.9038 120.8866 59.2428 29.6192 179.5278 108 I 3.7241 8.2443 119.6230 64.4509 36.9052 178.4339 109 A 4.0541 7.9129 120.8247 55.0120 18.3954 179.5113 110 Q 4.0836 8.2641 117.0423 59.3288 28.6013 178.8189 111 T 3.8653 7.7804 115.5259 66.6126 68.8529 176.2722 112 K 4.2919 8.4148 119.1023 56.1604 32.0576 178.4832 113 A 3.9477 7.5133 121.4274 55.4486 18.2114 179.2873 114 A 4.0801 7.9129 117.6264 55.4202 18.6664 178.9456 115 D 4.5070 7.9450 114.6737 55.3841 41.6528 177.0832 116 M 4.3466 7.5614 119.4845 55.2638 32.5817 176.4025 117 T 4.2953 8.3288 110.5703 61.4596 69.9629 175.3328 118 G 3.8033 8.1275 110.8511 46.3673 0.0000 173.4292 119 A 4.1097 8.7040 126.9761 54.2894 19.1063 177.2031 120 D 5.0496 7.5999 113.4743 51.6945 46.1153 176.8378 121 I 3.7446 8.1523 120.6731 64.6404 37.0327 178.5448 122 E 3.9293 8.2010 118.7417 59.3140 29.3346 178.8517 123 A 3.9807 8.0172 120.3979 55.5565 18.5403 179.2386 124 M 4.0088 7.9594 114.8154 58.9989 31.0601 178.8760 125 T 3.8755 7.9340 116.5523 66.5044 68.4124 176.7771 126 R 4.7889 7.7201 120.1281 58.9482 30.2365 179.0199 127 S 4.2799 8.0189 114.9156 61.7064 62.9367 176.7833 128 I 3.7561 7.8890 122.4586 64.3484 36.7425 178.2874 129 E 4.0982 8.2843 119.7303 59.3769 29.0487 179.5403 130 G 3.6795 7.6448 104.9172 47.9448 0.0000 175.5368 131 T 4.0471 7.7708 111.3512 64.4884 68.9122 176.5167 132 A 3.9946 7.8634 123.2056 55.0704 18.2614 179.8126 133 R 3.8619 7.9855 115.2676 59.4398 30.1645 178.9888 134 S 4.4285 7.6667 113.5030 59.9679 62.7276 175.2887 135 M 4.5876 7.6917 118.3637 54.2709 31.2680 176.1863 136 G 3.5945 8.0399 107.0592 46.9048 0.0000 173.0180 137 L 5.1616 7.8888 120.2137 51.7197 43.2364 177.0043 138 V 4.0002 8.3292 124.2117 62.5903 33.3017 174.8010 139 V 5.4661 8.1534 117.3501 58.8573 34.4047 174.7071 140 E 4.4157 8.7054 126.1862 54.8042 31.0474 175.5935 141 D 4.5234 8.6086 126.0762 54.5802 41.1147 176.4720 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 A 8.26 4.42 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.50 4.30 0.00 1.81 1.72 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.50 7.81 3 K 8.57 4.07 0.00 1.75 1.81 0.00 1.81 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.46 7.81 4 V 8.35 3.80 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 0.75 0.00 0.00 0.90 0.00 0.00 5 Q 8.60 4.50 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.11 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 6 A 8.30 4.13 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 7 Y 7.78 5.04 0.00 3.02 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 8 V 9.05 4.68 1.99 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 0.64 0.00 0.00 0.73 0.00 0.00 9 K 8.35 5.18 0.00 1.77 1.91 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.42 7.81 10 L 8.42 4.49 0.00 1.70 1.68 0.79 0.53 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 11 Q 8.74 4.88 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.36 0.00 12 V 8.06 4.52 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.20 0.00 0.00 13 A 8.78 4.29 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 14 A 8.22 3.93 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 15 G 7.61 3.95 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 0.00 0.00 0.00 16 M 7.74 4.18 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 17 A 8.51 4.24 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 18 N 9.05 4.63 0.00 2.73 3.31 0.00 0.00 6.93 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 19 P 0.00 4.35 0.00 2.25 2.16 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.95 0.00 20 S 8.75 4.01 0.00 3.84 3.93 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 21 P 0.00 4.36 0.00 2.07 2.10 0.00 3.73 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 2.12 0.00 22 P 0.00 4.44 0.00 2.02 2.07 0.00 3.70 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 23 V 7.82 4.24 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 0.73 0.00 0.00 0.99 0.00 0.00 24 G 9.54 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 0.00 0.00 0.00 25 P 0.00 4.11 0.00 2.14 2.12 0.00 3.99 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 2.10 2.17 0.00 26 A 7.89 3.92 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 27 L 7.56 4.24 0.00 1.59 1.67 0.26 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 28 G 8.53 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 29 Q 7.57 4.02 0.00 1.94 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.94 0.00 0.00 0.00 0.00 0.00 2.71 2.51 0.00 30 Q 7.67 4.16 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.00 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 31 G 7.66 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.42 3.87 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 -0.01 0.00 0.00 0.69 0.00 0.00 33 N 8.86 4.84 0.00 3.21 2.93 0.00 0.00 6.90 7.44 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 34 I 8.04 3.71 1.90 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 1.52 0.88 0.98 0.00 0.00 35 M 8.23 4.01 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.60 0.00 36 E 8.29 4.04 0.00 2.18 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 0.00 2.51 2.43 0.00 37 F 8.75 4.37 0.00 2.95 3.08 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 0.00 0.00 0.00 0.00 38 C 8.47 4.02 0.00 3.13 3.21 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 39 K 7.87 3.98 0.00 1.87 1.88 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.46 7.81 40 A 8.35 4.11 1.66 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 41 F 8.89 4.18 0.00 1.51 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 N 8.21 4.00 0.00 2.69 2.83 0.00 0.00 7.03 8.85 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 43 A 7.37 4.01 1.40 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 44 K 7.72 4.04 0.00 1.93 1.76 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.42 7.81 45 T 7.63 3.65 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 1.05 0.00 0.00 46 D 7.52 4.28 0.00 2.59 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 47 S 7.80 4.18 0.00 3.82 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 48 I 7.52 3.81 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.84 0.90 0.00 0.00 49 E 7.32 5.10 0.00 2.03 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 2.04 2.06 0.00 50 K 8.80 4.48 0.00 1.73 1.74 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.38 1.55 7.81 51 G 9.01 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 52 L 7.37 4.63 0.00 1.61 1.61 0.96 1.12 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 53 P 0.00 4.39 0.00 1.96 2.05 0.00 3.65 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 54 I 8.22 4.67 2.12 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 1.35 0.95 1.08 0.00 0.00 55 P 0.00 4.80 0.00 2.15 2.21 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.00 0.00 56 V 9.09 4.85 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 0.68 0.00 0.00 1.39 0.00 0.00 57 V 8.10 4.17 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 0.32 0.00 0.00 0.86 0.00 0.00 58 I 8.45 4.42 1.60 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 -0.36 0.34 0.00 0.00 59 T 9.36 4.73 4.12 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 1.11 0.00 0.00 60 V 7.79 4.42 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.84 0.00 0.00 61 Y 8.54 4.84 0.00 3.08 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 62 A 8.62 4.20 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 63 D 8.36 4.48 0.00 2.81 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 64 R 7.82 3.85 0.00 2.28 2.09 0.00 3.18 0.00 0.00 3.08 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 65 S 7.99 4.74 0.00 4.03 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 66 F 7.68 5.56 0.00 2.97 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 67 T 8.23 5.28 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 1.34 0.00 0.00 68 F 8.35 5.91 0.00 3.26 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 69 V 8.49 4.27 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 0.99 0.00 0.00 0.90 0.00 0.00 70 T 8.61 4.60 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 71 K 7.93 4.54 0.00 1.85 2.15 0.00 1.71 0.00 0.00 1.91 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.39 7.81 72 T 8.62 4.38 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 73 P 0.00 4.35 0.00 2.22 2.21 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 74 P 0.00 4.35 0.00 2.19 2.06 0.00 3.62 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 2.14 2.20 0.00 75 A 8.54 4.07 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 76 A 7.90 3.96 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.71 3.61 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.01 0.00 0.00 78 L 7.85 4.06 0.00 1.70 1.72 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.92 4.10 0.00 1.90 1.71 0.93 0.69 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 80 K 7.97 4.00 0.00 2.01 2.02 0.00 1.86 0.00 0.00 1.70 0.00 0.00 3.18 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.78 7.81 81 K 8.10 4.00 0.00 2.01 2.07 0.00 1.32 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.60 7.81 82 A 7.92 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.35 4.19 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 84 G 7.70 3.82 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 0.00 0.00 0.00 85 I 7.43 4.37 1.87 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 1.41 0.71 0.91 0.00 0.00 86 K 8.51 4.24 0.00 1.76 1.89 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.44 7.81 87 S 7.60 4.81 0.00 3.80 3.75 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 88 G 8.21 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 0.00 0.00 0.00 89 S 7.99 4.21 0.00 3.97 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 90 G 8.96 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 0.00 0.00 0.00 91 K 7.25 4.61 0.00 1.88 1.90 0.00 1.55 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.37 1.43 7.81 92 P 0.00 4.26 0.00 2.19 2.26 0.00 3.71 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 2.15 2.14 0.00 93 N 8.99 4.37 0.00 2.88 2.98 0.00 0.00 7.01 7.61 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 94 K 8.82 4.09 0.00 1.94 1.87 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.53 7.81 95 D 7.75 4.76 0.00 2.59 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 96 K 8.64 4.47 0.00 1.76 1.74 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.48 7.81 97 V 8.15 3.92 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 0.72 0.00 0.00 1.01 0.00 0.00 98 G 7.64 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 0.00 0.00 0.00 99 K 8.39 5.17 0.00 1.77 1.73 0.00 1.52 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.46 7.81 100 I 8.95 4.80 1.87 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 1.29 1.03 0.98 0.00 0.00 101 S 8.56 4.68 0.00 4.08 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 0.00 102 R 8.58 3.92 0.00 2.13 1.98 0.00 3.10 0.00 0.00 3.35 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 103 A 7.92 3.98 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 0.00 104 Q 7.85 4.47 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.55 2.26 0.00 105 L 8.00 3.99 0.00 1.87 1.74 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.96 3.94 0.00 2.15 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 107 E 7.90 4.77 0.00 2.22 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 0.00 2.34 2.42 0.00 108 I 8.24 3.72 2.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.07 0.92 0.00 0.00 109 A 7.91 4.05 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 0.00 110 Q 8.26 4.08 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.71 0.00 111 T 7.78 3.87 4.39 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 1.22 0.00 0.00 112 K 8.41 4.29 0.00 1.82 1.84 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.32 7.81 113 A 7.51 3.95 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 0.00 114 A 7.91 4.08 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 D 7.94 4.51 0.00 2.67 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 0.00 116 M 7.56 4.35 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.48 0.00 117 T 8.33 4.30 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 1.22 0.00 0.00 118 G 8.13 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 0.00 119 A 8.70 4.11 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 0.00 120 D 7.60 5.05 0.00 2.64 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 0.00 121 I 8.15 3.74 1.87 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 1.64 0.62 0.91 0.00 0.00 122 E 8.20 3.93 0.00 2.05 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 0.00 2.40 2.44 0.00 123 A 8.02 3.98 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 0.00 124 M 7.96 4.01 0.00 2.30 2.36 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 2.61 2.78 0.00 125 T 7.93 3.88 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 126 R 7.72 4.79 0.00 1.91 2.00 0.00 3.13 0.00 0.00 3.08 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 127 S 8.02 4.28 0.00 4.07 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 0.00 128 I 7.89 3.76 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.20 0.92 0.00 0.00 129 E 8.28 4.10 0.00 2.25 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 0.00 2.33 2.64 0.00 130 G 7.64 3.68 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 0.00 0.00 0.00 131 T 7.77 4.05 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 1.24 0.00 0.00 132 A 7.86 3.99 1.40 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 0.00 133 R 7.99 3.86 0.00 1.94 2.02 0.00 3.16 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 134 S 7.67 4.43 0.00 3.98 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 0.00 135 M 7.69 4.59 0.00 2.22 2.25 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.78 0.00 136 G 8.04 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 0.00 137 L 7.89 5.16 0.00 1.51 1.61 0.95 0.93 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 0.00 138 V 8.33 4.00 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 0.87 0.00 0.00 0.93 0.00 0.00 139 V 8.15 5.47 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 0.88 0.00 0.00 0.93 0.00 0.00 140 E 8.71 4.42 0.00 2.09 1.83 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 2.30 2.38 0.00 141 D 8.61 4.52 0.00 2.70 2.55 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