NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3665 8.3344 115.4118 57.8641 64.2201 173.6090 2 M 4.0134 8.3881 121.4160 56.1222 29.8262 174.1051 3 Q 4.3327 8.3611 121.1652 55.8529 30.6752 176.2019 4 D 4.4719 7.4443 118.1194 51.4753 42.7631 173.0295 5 P 4.1120 0.0000 0.0000 65.4899 31.5578 178.2041 6 I 3.6025 7.8425 118.9408 64.1994 37.0653 177.7243 7 A 3.9117 8.4171 121.5295 55.2550 18.1712 178.8703 8 D 4.2894 7.4861 117.3065 57.0372 41.0246 178.0797 9 M 3.9287 7.5111 116.3691 58.7848 32.5712 177.7798 10 L 4.0680 7.8013 118.9644 58.1524 41.4614 179.5513 11 T 3.8519 8.3117 109.8874 65.1140 68.5317 176.2815 12 R 3.9852 8.5217 121.0376 59.0622 30.0080 179.1172 13 I 3.6867 7.6044 119.4760 64.3050 37.2773 178.5093 14 R 3.8782 7.8916 116.3756 59.5989 28.9493 178.3392 15 N 4.4440 8.3041 116.5630 55.7531 38.7196 177.4428 16 G 3.7467 8.0210 106.9632 48.1067 0.0000 175.2370 17 Q 4.0300 8.6962 121.1187 58.9974 28.6170 179.6575 18 A 4.2261 8.0360 121.4503 54.5886 18.8434 178.0248 19 A 4.3467 8.3801 118.0169 51.6720 19.1832 178.4515 20 N 4.3373 8.6448 112.2900 52.9775 37.4468 174.8237 21 K 3.7350 7.7094 117.1069 56.8840 32.1866 175.9872 22 A 3.9854 8.7546 126.6602 55.1374 18.4495 177.1731 23 A 5.0234 7.5782 113.7304 50.2513 23.2437 174.2583 24 V 4.7523 9.2805 117.2429 60.5086 35.1346 174.8359 25 T 5.5706 8.5303 110.4002 59.2038 72.4975 172.3379 26 M 4.3250 8.0477 119.0662 54.0989 33.7297 172.3042 27 P 4.9201 0.0000 0.0000 62.5218 31.8474 176.5393 28 S 4.6452 8.7530 120.2173 57.7814 64.8173 173.3207 29 S 4.6342 8.6635 110.8764 56.9099 64.6146 177.9899 30 K 4.1933 7.9386 122.6747 59.4851 31.9649 178.4947 31 L 3.9082 7.9042 119.8902 58.3197 42.0825 178.8242 32 K 3.8103 7.5446 117.4641 59.6416 31.9752 179.2799 33 V 3.4549 7.8794 117.8276 65.9635 31.5317 177.5926 34 A 3.9526 7.7680 120.0889 55.4499 18.1289 179.6992 35 I 3.5044 7.7454 117.5490 64.5717 37.1622 178.4353 36 A 3.7404 7.9458 121.7557 54.9893 17.9718 179.1569 37 N 3.8715 8.2062 115.6225 56.8917 39.2312 177.2017 38 V 3.6575 7.6241 119.5223 66.1468 31.4498 177.9648 39 L 4.2164 8.0282 118.5598 57.0732 41.3118 179.2392 40 K 4.2107 7.6876 119.3693 59.1939 32.2863 178.5964 41 E 4.0173 8.4902 117.7169 58.8021 29.4193 178.2140 42 E 4.3349 8.0215 116.0733 55.2856 30.6281 175.5865 43 G 3.5663 8.0786 106.5919 46.9539 0.0000 174.3320 44 F 4.8585 8.4109 117.4824 56.9801 41.4629 176.5549 45 I 4.5926 7.4852 112.5102 59.0007 39.8173 174.8987 46 E 4.0723 8.4050 125.6259 59.5169 29.2890 177.0802 47 D 4.8088 8.4225 118.0813 55.7341 45.1377 172.9027 48 F 5.0414 7.9920 108.1699 56.5194 40.0027 173.0535 49 K 4.5944 9.1250 122.8332 54.6532 36.4985 175.2722 50 V 4.7774 8.1139 121.6715 58.6414 32.8042 174.8418 51 E 4.2072 8.5813 129.2074 56.2614 31.7244 175.4732 52 G 4.6562 8.6838 106.8482 46.5398 0.0000 171.4544 53 D 4.7785 7.9526 115.8359 55.9669 43.6682 177.9425 54 T 3.9551 7.7594 114.8799 63.7871 68.1870 174.4989 55 K 4.4460 7.7028 120.6670 53.2306 33.1488 172.7224 56 P 4.7748 0.0000 0.0000 62.9321 32.3919 175.4499 57 E 5.1058 9.0921 125.5093 55.0964 33.3534 174.5246 58 L 4.8149 7.9307 118.8322 54.4874 44.3861 173.8016 59 E 4.5374 9.4980 125.3444 56.0473 28.1010 173.3675 60 L 4.9308 8.9278 124.8874 53.8086 43.5555 174.9899 61 T 4.6252 8.3879 118.4817 61.0973 70.2239 174.7251 62 L 4.6440 8.1998 124.7838 54.1080 43.3328 176.0061 63 K 4.7633 8.2482 121.0067 54.9320 35.5618 174.5460 64 Y 5.0241 8.6528 123.4332 55.8958 42.3573 174.1069 65 F 4.7335 9.0093 130.0148 59.7287 39.0460 177.1268 66 Q 4.1651 8.6512 128.4904 55.9655 28.5320 177.9846 67 G 3.9975 8.5217 114.1116 46.7146 0.0000 171.9791 68 K 4.6444 8.3482 120.9717 54.4719 35.7253 174.5351 69 A 4.8919 8.2784 122.5417 50.3447 20.8772 177.5870 70 V 3.7360 7.9457 120.3295 66.1439 31.6613 178.2351 71 V 3.9327 7.2289 121.9088 62.4470 29.1565 175.0995 72 E 4.1638 8.3911 122.6514 57.6754 30.6999 177.6227 73 S 4.4418 8.0861 111.7257 57.4942 66.7231 174.4812 74 I 4.3013 8.3636 127.9449 60.3730 39.9353 173.4161 75 Q 4.7155 8.5013 128.0510 53.7284 32.7368 175.2963 76 R 4.0361 8.4340 121.7316 56.7518 30.6380 174.0551 77 V 3.8642 7.8970 119.7768 63.9092 33.1686 176.4468 78 S 4.4760 7.4880 119.1547 57.4889 60.1908 173.4244 79 R 4.2381 7.6370 120.3564 53.6564 31.2544 174.9046 80 P 4.3517 0.0000 0.0000 62.8038 31.9230 176.4520 81 G 4.0747 8.5263 103.3053 45.5581 0.0000 173.7653 82 L 4.7703 6.8959 117.3078 54.8883 44.3952 173.8122 83 R 4.1857 7.9973 120.7697 55.6672 31.0766 176.3620 84 I 4.6808 8.1716 119.9585 60.0952 41.0973 173.9641 85 Y 5.0063 8.9396 124.2139 56.1282 39.5638 175.0603 86 K 4.7684 8.9098 122.1301 54.8131 36.4115 174.9231 87 R 4.8717 8.2475 119.0688 54.0474 32.9900 177.6184 88 K 3.8051 8.8428 120.3051 59.9684 32.4343 177.5312 89 D 4.9335 7.7557 117.9886 52.0700 39.6055 176.1241 90 E 4.6086 8.5589 117.7708 57.6697 34.4957 174.9962 91 L 3.8439 8.0941 117.4779 54.1791 41.9262 175.3192 92 P 4.2417 0.0000 0.0000 62.6012 31.8380 176.3955 93 K 4.1796 7.9944 122.0818 54.1366 31.6709 175.3406 94 V 3.2341 7.8894 125.3152 64.3635 32.4664 175.7744 95 M 3.0156 9.4802 126.3836 57.3446 30.4449 176.5142 96 A 3.8467 9.0310 115.5364 52.6892 16.8470 177.2700 97 G 3.8953 8.1859 109.2415 46.9317 0.0000 176.5124 98 L 4.1660 8.1807 118.4898 55.8334 41.6272 176.1871 99 G 4.3938 7.4889 106.4521 43.3570 0.0000 171.7188 100 I 4.9455 9.0153 111.1466 59.0534 41.8633 174.7965 101 A 5.1243 9.4992 124.5136 48.7499 21.8444 175.5372 102 V 4.0379 8.4488 122.4100 64.0480 32.4193 174.9521 103 V 4.8181 8.4962 128.1308 60.9502 34.6604 174.2535 104 S 4.6845 9.3613 124.2557 58.4139 63.1653 173.2414 105 T 4.8906 8.7737 118.1377 59.6807 71.5094 175.4431 106 S 4.3046 8.8311 115.2342 59.8126 62.3745 174.2916 107 K 4.3457 9.1287 117.5159 56.6945 33.2657 175.7248 108 G 4.2124 7.1612 105.7876 42.9793 0.0000 172.8104 109 V 4.2564 7.8070 121.1779 62.2885 31.2233 174.2743 110 M 5.0107 8.2453 126.6706 53.5447 34.8019 174.8767 111 T 4.7355 8.2532 107.9324 60.8242 71.2175 175.4447 112 D 4.3737 8.6277 123.1980 57.3560 39.1227 178.6137 113 R 3.7799 8.2006 119.4708 59.0768 29.8663 177.4819 114 A 3.9669 7.8860 118.9783 55.3678 18.5471 179.2482 115 A 3.9021 7.9677 118.7456 55.5880 18.2569 179.6977 116 R 3.8683 8.1175 115.9098 59.8073 29.8205 178.4317 117 Q 4.1279 8.1766 117.5077 58.7327 28.6625 178.0237 118 A 4.2340 8.3755 120.2267 52.6954 18.3436 177.8938 119 G 3.8860 7.5622 104.2269 45.9202 0.0000 173.3685 120 L 4.8310 7.7802 117.9613 53.5605 43.3304 176.0673 121 G 4.0337 8.4079 108.1763 45.3885 0.0000 172.2949 122 G 4.1924 7.7372 103.8126 46.3050 0.0000 171.5123 123 E 4.9732 8.4993 123.4252 53.4526 31.4062 177.4577 124 I 4.1878 8.2202 127.5274 62.1101 37.7981 175.4865 125 I 4.6056 8.2144 119.4821 62.4188 42.6840 175.0486 126 C 4.5194 7.2769 114.1410 57.8719 32.0011 172.9826 127 Y 5.3484 8.2040 116.9434 56.3468 36.8283 174.9849 128 V 3.5613 8.1086 120.1639 62.3759 33.1332 176.2731 129 A 4.3931 8.1675 130.1543 52.3302 19.0292 175.4434 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 S 8.33 4.37 0.00 3.99 3.94 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 2 M 8.39 4.01 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.68 0.00 3 Q 8.36 4.33 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.60 0.00 4 D 7.44 4.47 0.00 2.66 2.47 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 5 P 0.00 4.11 0.00 2.29 2.28 0.00 3.74 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 2.05 2.04 0.00 6 I 7.84 3.60 1.97 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 0.73 0.85 0.00 0.00 7 A 8.42 3.91 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 8 D 7.49 4.29 0.00 2.78 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 M 7.51 3.93 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 10 L 7.80 4.07 0.00 1.86 1.63 0.83 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.31 3.85 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 12 R 8.52 3.99 0.00 2.06 2.03 0.00 3.42 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 13 I 7.60 3.69 1.95 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.96 0.85 0.00 0.00 14 R 7.89 3.88 0.00 2.00 2.16 0.00 2.95 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.72 0.00 15 N 8.30 4.44 0.00 2.81 2.93 0.00 0.00 7.05 8.51 0.00 0.00 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 8.02 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 0.00 0.00 0.00 17 Q 8.70 4.03 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 18 A 8.04 4.23 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 19 A 8.38 4.35 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 20 N 8.64 4.34 0.00 2.80 2.83 0.00 0.00 6.91 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.71 3.74 0.00 1.83 1.85 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.61 7.81 22 A 8.75 3.99 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 23 A 7.58 5.02 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 24 V 9.28 4.75 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 0.86 0.00 0.00 0.95 0.00 0.00 25 T 8.53 5.57 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 1.29 0.00 0.00 26 M 8.05 4.33 0.00 2.11 2.19 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 2.40 2.34 0.00 27 P 0.00 4.92 0.00 2.10 2.13 0.00 3.37 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.81 0.00 28 S 8.75 4.65 0.00 3.94 4.18 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 0.00 0.00 0.00 0.00 29 S 8.66 4.63 0.00 3.97 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 30 K 7.94 4.19 0.00 1.83 1.88 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.57 7.81 31 L 7.90 3.91 0.00 1.74 1.64 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.54 3.81 0.00 2.19 1.84 0.00 1.85 0.00 0.00 1.56 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.46 7.81 33 V 7.88 3.45 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 1.18 0.00 0.00 1.06 0.00 0.00 34 A 7.77 3.95 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 35 I 7.75 3.50 1.91 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.84 0.83 0.00 0.00 36 A 7.95 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 N 8.21 3.87 0.00 2.73 2.94 0.00 0.00 6.80 7.60 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 38 V 7.62 3.66 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 1.01 0.00 0.00 1.03 0.00 0.00 39 L 8.03 4.22 0.00 1.89 1.74 0.83 0.79 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 40 K 7.69 4.21 0.00 1.93 2.08 0.00 1.95 0.00 0.00 2.17 0.00 0.00 3.02 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.52 1.58 7.81 41 E 8.49 4.02 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.60 0.00 42 E 8.02 4.33 0.00 2.14 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 2.56 2.56 0.00 43 G 8.08 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 F 8.41 4.86 0.00 3.24 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 45 I 7.49 4.59 2.10 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 1.48 0.73 0.94 0.00 0.00 46 E 8.40 4.07 0.00 2.06 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 0.00 2.43 2.51 0.00 47 D 8.42 4.81 0.00 2.75 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.99 5.04 0.00 3.07 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 49 K 9.12 4.59 0.00 1.72 1.76 0.00 1.35 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.37 7.81 50 V 8.11 4.78 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 1.02 0.00 0.00 1.00 0.00 0.00 51 E 8.58 4.21 0.00 2.31 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 2.37 2.32 0.00 52 G 8.68 4.66 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 53 D 7.95 4.78 0.00 2.65 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 54 T 7.76 3.96 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 1.21 0.00 0.00 55 K 7.70 4.45 0.00 1.78 1.71 0.00 1.74 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.32 7.81 56 P 0.00 4.77 0.00 2.13 2.20 0.00 3.65 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 2.08 1.97 0.00 57 E 9.09 5.11 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.28 0.00 58 L 7.93 4.81 0.00 1.94 1.61 0.95 1.18 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 59 E 9.50 4.54 0.00 1.96 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 2.35 2.40 0.00 60 L 8.93 4.93 0.00 1.85 1.74 0.98 0.51 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 61 T 8.39 4.63 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 1.26 0.00 0.00 62 L 8.20 4.64 0.00 1.93 1.48 0.95 0.90 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 63 K 8.25 4.76 0.00 1.92 1.77 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.49 7.81 64 Y 8.65 5.02 0.00 2.93 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 65 F 9.01 4.73 0.00 3.06 2.80 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 66 Q 8.65 4.17 0.00 1.85 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.96 0.00 0.00 0.00 0.00 0.00 1.54 1.16 0.00 67 G 8.52 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.35 4.64 0.00 1.81 1.71 0.00 1.56 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.48 7.81 69 A 8.28 4.89 1.19 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 0.00 0.00 70 V 7.95 3.74 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 0.91 0.00 0.00 1.01 0.00 0.00 71 V 7.23 3.93 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 0.71 0.00 0.00 0.91 0.00 0.00 72 E 8.39 4.16 0.00 2.15 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 2.29 2.27 0.00 73 S 8.09 4.44 0.00 3.88 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 74 I 8.36 4.30 1.70 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 1.24 0.69 0.83 0.00 0.00 75 Q 8.50 4.72 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 76 R 8.43 4.04 0.00 1.73 1.73 0.00 3.09 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.49 0.00 77 V 7.90 3.86 1.68 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 0.50 0.00 0.00 -0.37 0.00 0.00 78 S 7.49 4.48 0.00 3.72 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 79 R 7.64 4.24 0.00 1.90 1.85 0.00 3.04 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 80 P 0.00 4.35 0.00 2.23 2.23 0.00 3.85 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 81 G 8.53 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 82 L 6.90 4.77 0.00 1.55 1.53 0.90 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.00 4.19 0.00 2.09 1.91 0.00 3.52 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 84 I 8.17 4.68 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.20 0.90 0.00 0.00 85 Y 8.94 5.01 0.00 2.75 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 86 K 8.91 4.77 0.00 1.70 1.73 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.57 7.81 87 R 8.25 4.87 0.00 1.84 1.86 0.00 3.18 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 88 K 8.84 3.81 0.00 1.86 2.00 0.00 1.57 0.00 0.00 1.76 0.00 0.00 3.15 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.48 7.81 89 D 7.76 4.93 0.00 2.80 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 90 E 8.56 4.61 0.00 1.88 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 0.00 2.25 2.35 0.00 91 L 8.09 3.84 0.00 1.67 1.66 0.97 1.08 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 92 P 0.00 4.24 0.00 1.81 2.04 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.16 0.00 93 K 7.99 4.18 0.00 1.66 1.71 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.35 7.81 94 V 7.89 3.23 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 0.78 0.00 0.00 0.61 0.00 0.00 95 M 9.48 3.02 0.00 2.26 1.97 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 2.59 2.51 0.00 96 A 9.03 3.85 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 97 G 8.19 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 98 L 8.18 4.17 0.00 1.66 1.74 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 99 G 7.49 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 0.00 0.00 0.00 0.00 100 I 9.02 4.95 1.96 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 1.60 1.18 1.08 0.00 0.00 101 A 9.50 5.12 1.24 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 0.00 0.00 102 V 8.45 4.04 2.06 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 0.90 0.00 0.00 0.91 0.00 0.00 103 V 8.50 4.82 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 0.95 0.00 0.00 1.01 0.00 0.00 104 S 9.36 4.68 0.00 3.87 3.71 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 0.00 105 T 8.77 4.89 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 1.28 0.00 0.00 106 S 8.83 4.30 0.00 3.87 3.94 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 0.00 107 K 9.13 4.35 0.00 1.72 1.82 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.50 7.81 108 G 7.16 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 0.00 0.00 0.00 0.00 109 V 7.81 4.26 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 0.81 0.00 0.00 0.92 0.00 0.00 110 M 8.25 5.01 0.00 2.14 2.19 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 2.48 2.60 0.00 111 T 8.25 4.74 4.27 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 1.28 0.00 0.00 112 D 8.63 4.37 0.00 2.92 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 0.00 113 R 8.20 3.78 0.00 1.89 1.96 0.00 3.20 0.00 0.00 3.34 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 114 A 7.89 3.97 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 0.00 115 A 7.97 3.90 1.47 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 0.00 0.00 116 R 8.12 3.87 0.00 1.93 2.12 0.00 3.26 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 117 Q 8.18 4.13 0.00 2.28 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.61 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 118 A 8.38 4.23 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 0.00 119 G 7.56 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 0.00 120 L 7.78 4.83 0.00 1.64 1.61 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.41 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 G 7.74 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 0.00 0.00 0.00 123 E 8.50 4.97 0.00 1.71 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 1.86 1.47 0.00 124 I 8.22 4.19 1.78 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.64 0.92 0.00 0.00 125 I 8.21 4.61 1.97 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.87 0.84 0.00 0.00 126 C 7.28 4.52 0.00 2.92 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 0.00 127 Y 8.20 5.35 0.00 2.78 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 0.00 128 V 8.11 3.56 1.67 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 -0.44 0.00 0.00 0.71 0.00 0.00 129 A 8.17 4.39 1.23 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