NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4475 8.2893 120.3311 56.3071 32.6377 173.7342 2 K 4.5047 7.0892 118.2930 51.9902 35.0797 174.8500 3 T 4.2721 8.9507 113.0779 61.7246 70.5168 174.7460 4 F 3.7785 8.3708 127.4708 55.1469 41.1275 175.0632 5 T 3.9435 6.8359 122.0165 61.1343 71.3928 173.5124 6 A 3.8432 6.8986 126.5849 52.2979 18.8989 176.5621 7 K 4.5310 8.3923 121.3805 54.3895 34.8744 176.0051 8 P 4.3005 0.0000 0.0000 64.9758 31.5085 176.3832 9 E 4.6611 7.9629 118.2065 55.8069 29.7087 176.3109 10 T 4.6639 7.6293 104.3284 61.1006 72.8840 174.1971 11 V 3.7310 7.7113 122.0181 63.1760 32.1684 175.3816 12 K 4.2168 8.6212 126.4740 59.3229 33.7966 177.8213 13 R 4.5956 7.1024 115.0908 56.2567 26.8475 178.9296 14 D 4.9041 9.2415 125.1721 53.8865 39.9560 173.5166 15 W 5.3302 8.3152 118.8946 55.4226 32.6467 174.4297 16 Y 5.5439 8.9099 119.5157 56.8167 42.7287 173.9968 17 V 4.8999 9.6862 123.1031 61.3633 33.5986 174.4938 18 V 4.4601 8.9032 128.3792 61.3100 34.3549 174.1977 19 D 4.8326 8.5356 126.2674 52.1405 42.1468 176.0420 20 A 4.6972 8.6581 128.3461 52.6889 19.8823 179.4147 21 T 4.1369 8.8012 117.5624 66.6401 67.2170 176.3122 22 G 3.8038 9.3563 115.9464 46.9218 0.0000 174.1144 23 K 4.1205 7.9253 120.4528 56.6119 33.6242 176.5008 24 T 4.6045 8.4281 118.3689 60.7160 68.0760 173.3756 25 L 4.0399 8.8100 132.5941 57.1595 41.5907 176.2858 26 G 4.2065 9.3723 114.9136 45.9660 0.0000 175.1359 27 R 4.3242 7.9656 117.2282 57.0158 31.0963 178.2678 28 L 4.0857 7.7818 119.9910 57.8579 42.2115 178.1249 29 A 4.0004 8.1244 120.2892 56.3258 18.2826 178.7741 30 T 3.7280 7.6020 112.1919 67.5187 68.5396 175.9840 31 E 3.8850 8.1375 118.9510 59.8640 29.8094 179.3713 32 L 3.8269 7.8535 118.4426 57.9922 41.4969 179.6921 33 A 3.9514 7.8637 119.3810 54.9963 18.6347 179.4800 34 R 3.9569 7.6846 114.0960 59.5943 29.4444 178.9969 35 R 3.4098 7.6561 119.1424 58.7543 29.9214 178.9544 36 L 3.9766 7.7974 117.6163 57.3826 41.4578 178.7263 37 R 4.3738 8.5035 117.0229 55.1511 30.3772 177.3587 38 G 4.5701 8.5053 105.9351 46.9013 0.0000 175.3710 39 K 4.2715 7.5094 116.7099 57.3263 31.6489 176.3173 40 H 5.1606 8.7639 113.2825 54.1897 29.7966 173.3695 41 K 4.0064 8.2304 124.6895 58.1466 36.8356 174.9974 42 A 4.7842 9.0664 115.9196 51.6291 20.4153 178.4773 43 E 3.9074 9.1566 121.2077 62.1207 29.6672 179.3214 44 Y 4.0197 6.9582 119.4104 58.1782 35.8338 172.0294 45 T 3.6138 8.1277 117.5785 61.3518 65.9944 168.8981 46 P 4.8294 0.0000 0.0000 62.1067 31.8203 176.3420 47 H 4.8450 7.9933 111.7081 55.5428 29.2797 173.8835 48 V 4.2442 7.1696 119.1014 61.0133 34.1722 174.6623 49 D 4.5057 8.5126 125.9830 54.1492 40.3072 176.0347 50 T 4.4818 8.2354 116.5084 61.4932 70.4097 174.8708 51 G 4.0859 8.4286 110.9602 46.4986 0.0000 172.6370 52 D 4.9610 8.3743 119.5875 53.2105 43.1475 175.8620 53 Y 4.2397 8.6720 119.0293 56.9671 39.4161 174.8892 54 I 5.1690 8.1016 117.6311 59.0209 41.0992 174.0879 55 I 4.8647 9.1311 120.6269 59.6756 39.3237 175.8796 56 V 4.5378 9.0983 128.4414 62.1943 33.1920 174.2323 57 L 4.6563 8.3900 122.5140 53.7205 46.2327 174.6585 58 N 4.7041 9.5836 117.4562 52.3512 37.2011 176.6261 59 A 4.0487 7.8442 122.5435 55.5659 18.6104 180.0956 60 D 4.5756 8.1572 112.3534 55.1372 39.3734 176.6389 61 K 4.7739 7.8964 118.7883 56.1088 33.1494 176.7660 62 V 4.4305 8.6312 120.2208 61.7284 31.9852 175.3550 63 A 4.9182 8.9732 124.1862 50.6907 21.4445 177.3809 64 V 3.6955 8.5326 117.1623 62.7198 33.1135 176.9847 65 T 3.3844 7.6036 110.3560 61.0178 67.2957 171.3121 66 G 3.7682 8.0204 110.0894 47.1202 0.0000 172.9920 67 N 4.6131 8.6111 115.3345 53.9333 39.4632 177.5779 68 K 4.1844 7.4033 119.5963 59.3892 32.3561 178.4403 69 R 3.4302 7.9677 119.0086 58.6697 30.0285 177.3241 70 T 4.7666 8.4201 105.1981 61.1661 69.2197 173.7667 71 D 4.8270 8.2992 118.5620 53.7964 43.0238 176.0334 72 K 4.1110 7.8331 120.1051 55.7108 32.8672 176.6532 73 V 3.3754 8.0717 115.2481 60.8104 32.0183 176.1094 74 Y 3.9448 7.8819 118.6030 59.8387 35.7039 169.5421 75 Y 4.8218 7.7605 116.3026 58.0589 40.0934 176.3379 76 H 5.0125 9.1906 116.7342 55.0686 32.4424 171.6403 77 H 5.3983 8.7876 118.7900 54.7743 32.1835 173.4980 78 T 4.2532 9.1803 114.1168 62.1584 68.9915 175.7195 79 G 3.9084 8.8678 110.6655 45.5738 0.0000 173.1229 80 H 4.5414 7.8702 116.8651 54.7667 32.0760 179.4145 81 I 2.8906 8.7530 119.3226 61.4222 39.3805 175.5627 82 G 4.2645 8.8086 108.5233 44.4338 0.0000 174.9688 83 G 3.7962 8.1906 108.4495 45.0418 0.0000 171.7110 84 I 4.6290 7.6766 122.6906 59.5683 39.2322 174.0301 85 K 4.6260 8.3910 129.4120 55.2876 33.6191 176.1409 86 Q 5.0237 8.4790 120.7680 54.8735 31.8277 173.6118 87 A 4.7080 8.2737 120.6081 51.3317 22.9867 175.7552 88 T 4.7644 9.2055 114.2937 60.1761 69.0501 175.9306 89 F 4.2810 8.8964 125.1083 61.3374 39.4356 176.7687 90 E 4.1635 8.2661 117.5160 59.6470 29.3797 178.9666 91 E 3.9961 8.2084 119.0193 59.3020 29.3467 179.1319 92 M 3.9049 7.9609 117.9987 58.4559 32.1193 178.2761 93 I 3.6517 7.5006 118.6397 64.7459 37.3044 177.6235 94 A 4.2488 7.7985 120.4793 53.5068 18.3108 177.8265 95 R 4.0834 7.8432 120.5274 54.8877 29.4963 175.0679 96 R 3.8494 8.2251 124.5404 55.1868 26.8286 174.8842 97 P 4.3663 0.0000 0.0000 64.0607 31.5223 177.4454 98 E 3.9262 8.2393 117.5254 59.4453 29.2224 179.0239 99 R 3.9990 7.8958 118.0547 59.5188 29.9721 178.0473 100 V 3.3833 7.1887 117.8363 66.4540 31.3153 178.0238 101 I 3.7866 7.7074 118.4456 65.1480 36.9780 177.1807 102 E 4.1535 8.2482 119.2466 58.5846 29.0697 178.8441 103 I 3.6521 8.1832 114.6183 64.7827 37.5293 178.0471 104 A 4.0451 7.6301 121.5123 55.2578 18.6387 179.6722 105 V 3.7540 8.2800 110.5024 64.0770 31.5842 178.5254 106 K 4.0109 8.7111 120.1598 59.8691 31.7950 178.8256 107 G 3.7869 7.8387 103.6921 47.2298 0.0000 174.0932 108 M 4.5470 8.1997 118.5587 54.3033 33.4065 175.8471 109 L 4.5193 7.3239 119.7219 52.6429 42.9753 174.7093 110 P 4.4546 0.0000 0.0000 63.0471 33.4352 180.4064 111 K 4.5798 7.1811 114.7453 56.4152 38.0910 176.2971 112 G 3.8730 8.8084 108.9528 45.1869 0.0000 172.2258 113 P 4.0194 0.0000 0.0000 66.0005 32.6864 177.9612 114 L 4.0519 7.9724 119.5905 58.3514 42.4549 178.8488 115 G 3.8421 8.0894 106.3639 47.2115 0.0000 175.1246 116 R 3.9130 8.3026 120.6277 58.8500 30.0572 178.6525 117 A 4.0329 7.6066 118.1563 55.7960 18.6127 179.3615 118 M 4.4092 8.3243 118.6038 57.9956 31.9704 178.6060 119 F 4.0080 8.3355 120.3071 61.4844 39.2189 177.1196 120 R 4.0150 7.6079 116.9153 58.8284 29.9613 177.6021 121 K 4.0391 7.7030 116.3016 56.3915 32.0000 175.8218 122 L 4.4778 7.5224 122.7197 53.3555 42.0415 175.9204 123 K 4.4241 8.5118 127.2088 54.9440 32.6594 177.0778 124 V 3.9858 7.8577 118.4037 60.9106 32.5731 172.9509 125 Y 3.6366 7.4463 122.4188 57.6386 37.9483 170.3086 126 A 4.6781 8.5807 124.1204 52.3037 20.9435 177.2953 127 G 4.2358 7.7440 105.8566 44.8557 0.0000 174.4663 128 N 5.0547 8.6187 122.4504 52.6582 39.6921 174.1440 129 E 4.6365 7.8465 113.1639 55.3067 32.5042 173.0502 130 H 4.3705 7.6426 113.0192 54.3133 30.9122 172.1724 131 N 4.7644 8.4756 116.0994 53.8704 37.8683 175.0947 132 H 4.8388 7.9892 113.4079 56.3906 29.6678 176.1682 133 A 3.8636 8.2823 124.7434 55.4934 18.1861 180.4148 134 A 3.8713 8.0926 116.5518 55.6296 18.2604 178.9894 135 Q 3.4631 7.5056 113.1539 56.9880 28.8884 176.4730 136 Q 3.4986 8.6464 116.8114 55.9705 26.3444 172.1758 137 P 4.6671 0.0000 0.0000 63.2059 32.4049 176.4239 138 Q 4.8279 8.6915 120.1412 54.5028 31.8840 174.4395 139 V 4.9412 8.5121 119.2138 60.2427 33.1307 175.0849 140 L 4.8296 8.2983 121.7927 54.4186 43.5499 175.5521 141 D 4.8109 8.3158 119.7612 52.2150 41.6659 176.2134 142 I 3.6005 8.5838 126.8379 62.9974 37.2750 173.3327 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 8.29 4.45 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.62 0.00 2 K 7.09 4.50 0.00 2.01 1.84 0.00 1.60 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.45 7.81 3 T 8.95 4.27 4.53 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 1.29 0.00 0.00 4 F 8.37 3.78 0.00 2.99 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 6.84 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 1.08 0.00 0.00 6 A 6.90 3.84 1.22 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 0.00 0.00 7 K 8.39 4.53 0.00 1.78 1.84 0.00 1.49 0.00 0.00 1.78 0.00 0.00 2.79 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.40 7.81 8 P 0.00 4.30 0.00 2.06 2.15 0.00 3.65 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 9 E 7.96 4.66 0.00 1.90 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 2.24 2.35 0.00 10 T 7.63 4.66 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 1.23 0.00 0.00 11 V 7.71 3.73 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 0.84 0.00 0.00 1.04 0.00 0.00 12 K 8.62 4.22 0.00 1.79 1.85 0.00 2.07 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.49 7.81 13 R 7.10 4.60 0.00 2.20 1.44 0.00 3.31 0.00 0.00 2.25 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.77 0.00 14 D 9.24 4.90 0.00 2.93 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 15 W 8.32 5.33 0.00 3.05 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 16 Y 8.91 5.54 0.00 2.92 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 V 9.69 4.90 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 0.96 0.00 0.00 0.98 0.00 0.00 18 V 8.90 4.46 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 0.89 0.00 0.00 0.94 0.00 0.00 19 D 8.54 4.83 0.00 2.81 2.57 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 20 A 8.66 4.70 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 21 T 8.80 4.14 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 1.23 0.00 0.00 22 G 9.36 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 23 K 7.93 4.12 0.00 1.78 1.76 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.51 7.81 24 T 8.43 4.60 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 1.22 0.00 0.00 25 L 8.81 4.04 0.00 1.78 1.88 1.11 1.28 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 26 G 9.37 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 27 R 7.97 4.32 0.00 1.91 1.99 0.00 3.17 0.00 0.00 3.15 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 28 L 7.78 4.09 0.00 1.77 1.68 0.97 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.12 4.00 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 30 T 7.60 3.73 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 1.20 0.00 0.00 31 E 8.14 3.89 0.00 1.95 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 32 L 7.85 3.83 0.00 1.90 1.72 0.92 0.84 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 A 7.86 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 34 R 7.68 3.96 0.00 1.97 2.16 0.00 2.76 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 35 R 7.66 3.41 0.00 1.74 1.81 0.00 3.20 0.00 0.00 2.95 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.70 0.00 36 L 7.80 3.98 0.00 1.74 1.71 0.77 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.50 4.37 0.00 1.90 1.96 0.00 3.17 0.00 0.00 3.16 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 38 G 8.51 4.57 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 39 K 7.51 4.27 0.00 1.55 1.79 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.39 7.81 40 H 8.76 5.16 0.00 3.14 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 K 8.23 4.01 0.00 1.82 1.58 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.13 1.52 7.81 42 A 9.07 4.78 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 43 E 9.16 3.91 0.00 2.25 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 0.00 2.34 2.33 0.00 44 Y 6.96 4.02 0.00 3.06 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 45 T 8.13 3.61 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 1.29 0.00 0.00 46 P 0.00 4.83 0.00 2.21 2.12 0.00 3.60 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 1.95 2.10 0.00 47 H 7.99 4.85 0.00 3.22 3.42 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.17 4.24 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 0.78 0.00 0.00 0.77 0.00 0.00 49 D 8.51 4.51 0.00 2.71 2.52 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 0.00 0.00 0.00 0.00 50 T 8.24 4.48 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 1.23 0.00 0.00 51 G 8.43 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 0.00 0.00 0.00 0.00 52 D 8.37 4.96 0.00 2.63 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 53 Y 8.67 4.24 0.00 1.43 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 54 I 8.10 5.17 1.90 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 1.23 0.62 0.83 0.00 0.00 55 I 9.13 4.86 2.13 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.10 1.32 0.00 0.00 56 V 9.10 4.54 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 0.77 0.00 0.00 0.94 0.00 0.00 57 L 8.39 4.66 0.00 1.98 1.45 0.87 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 58 N 9.58 4.70 0.00 3.08 2.86 0.00 0.00 6.77 6.92 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 59 A 7.84 4.05 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 60 D 8.16 4.58 0.00 2.79 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 61 K 7.90 4.77 0.00 1.68 1.85 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.39 1.37 7.81 62 V 8.63 4.43 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.08 0.00 0.00 63 A 8.97 4.92 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 64 V 8.53 3.70 1.49 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 0.51 0.00 0.00 0.37 0.00 0.00 65 T 7.60 3.38 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 1.16 0.00 0.00 66 G 8.02 3.77 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 0.00 0.00 0.00 67 N 8.61 4.61 0.00 2.81 2.95 0.00 0.00 6.86 7.68 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 68 K 7.40 4.18 0.00 1.83 1.61 0.00 1.54 0.00 0.00 1.48 0.00 0.00 2.78 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.35 7.81 69 R 7.97 3.43 0.00 1.65 1.87 0.00 3.10 0.00 0.00 3.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.50 0.00 70 T 8.42 4.77 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 1.32 0.00 0.00 71 D 8.30 4.83 0.00 2.58 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 72 K 7.83 4.11 0.00 2.02 1.62 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.41 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.40 1.35 7.81 73 V 8.07 3.38 2.33 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 0.82 0.00 0.00 0.83 0.00 0.00 74 Y 7.88 3.94 0.00 3.46 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 7.76 4.82 0.00 2.93 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 76 H 9.19 5.01 0.00 3.29 3.42 0.00 5.39 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.79 5.40 0.00 3.16 3.17 0.00 5.74 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 T 9.18 4.25 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 1.25 0.00 0.00 79 G 8.87 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 0.00 0.00 0.00 80 H 7.87 4.54 0.00 3.31 3.28 0.00 5.83 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.75 2.89 1.91 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 1.36 0.69 0.98 0.00 0.00 82 G 8.81 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 0.00 0.00 0.00 0.00 83 G 8.19 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 84 I 7.68 4.63 1.77 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 1.39 0.95 0.95 0.00 0.00 85 K 8.39 4.63 0.00 1.52 1.68 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.45 7.81 86 Q 8.48 5.02 0.00 1.46 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 87 A 8.27 4.71 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 88 T 9.21 4.76 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 1.36 0.00 0.00 89 F 8.90 4.28 0.00 3.19 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 90 E 8.27 4.16 0.00 2.28 2.33 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 2.66 2.44 0.00 91 E 8.21 4.00 0.00 2.31 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 0.00 2.41 2.43 0.00 92 M 7.96 3.90 0.00 1.63 1.96 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.70 0.00 93 I 7.50 3.65 1.99 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 1.01 0.71 0.92 0.00 0.00 94 A 7.80 4.25 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 95 R 7.84 4.08 0.00 1.93 1.96 0.00 3.18 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.52 0.00 96 R 8.23 3.85 0.00 1.91 1.95 0.00 3.21 0.00 0.00 3.85 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 97 P 0.00 4.37 0.00 2.12 2.01 0.00 3.59 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 2.06 2.38 0.00 98 E 8.24 3.93 0.00 2.01 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 2.36 2.43 0.00 99 R 7.90 4.00 0.00 1.90 1.72 0.00 3.20 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 100 V 7.19 3.38 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 1.05 0.00 0.00 0.49 0.00 0.00 101 I 7.71 3.79 1.89 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 1.66 0.74 0.94 0.00 0.00 102 E 8.25 4.15 0.00 2.15 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 0.00 2.52 2.45 0.00 103 I 8.18 3.65 1.88 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.63 0.83 0.00 0.00 104 A 7.63 4.05 1.52 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 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.28 3.75 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 0.84 0.00 0.00 1.05 0.00 0.00 106 K 8.71 4.01 0.00 1.66 2.06 0.00 1.29 0.00 0.00 1.42 0.00 0.00 2.47 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.33 7.81 107 G 7.84 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 M 8.20 4.55 0.00 1.94 2.19 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.56 0.00 109 L 7.32 4.52 0.00 1.67 1.62 1.06 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.45 0.00 2.22 2.18 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.95 0.00 111 K 7.18 4.58 0.00 1.94 1.36 0.00 1.40 0.00 0.00 1.71 0.00 0.00 3.16 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.36 1.51 7.81 112 G 8.81 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.02 0.00 2.19 2.07 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 114 L 7.97 4.05 0.00 1.64 1.70 0.96 0.98 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 0.00 115 G 8.09 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 0.00 0.00 0.00 116 R 8.30 3.91 0.00 1.99 2.03 0.00 3.11 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 117 A 7.61 4.03 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 0.00 118 M 8.32 4.41 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.46 0.00 119 F 8.34 4.01 0.00 3.07 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 7.61 4.01 0.00 1.99 2.04 0.00 3.26 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.00 0.00 121 K 7.70 4.04 0.00 1.39 0.93 0.00 0.64 0.00 0.00 1.09 0.00 0.00 2.78 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.36 0.99 7.81 122 L 7.52 4.48 0.00 1.18 0.96 0.84 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.51 4.42 0.00 2.15 2.05 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.25 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.67 1.54 7.81 124 V 7.86 3.99 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 0.68 0.00 0.00 0.92 0.00 0.00 125 Y 7.45 3.64 0.00 3.17 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 A 8.58 4.68 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 0.00 127 G 7.74 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 0.00 0.00 0.00 128 N 8.62 5.05 0.00 2.72 2.73 0.00 0.00 6.61 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 0.00 129 E 7.85 4.64 0.00 1.90 1.77 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 2.13 2.31 0.00 130 H 7.64 4.37 0.00 2.60 2.00 0.00 5.52 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 N 8.48 4.76 0.00 2.82 2.92 0.00 0.00 5.92 7.90 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 0.00 132 H 7.99 4.84 0.00 3.25 2.98 0.00 5.65 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 0.00 133 A 8.28 3.86 1.22 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 0.00 0.00 134 A 8.09 3.87 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 0.00 135 Q 7.51 3.46 0.00 1.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.70 0.00 0.00 0.00 0.00 0.00 1.81 1.16 0.00 136 Q 8.65 3.50 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.85 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 137 P 0.00 4.67 0.00 2.18 2.25 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 138 Q 8.69 4.83 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.14 2.39 0.00 139 V 8.51 4.94 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 1.02 0.00 0.00 0.98 0.00 0.00 140 L 8.30 4.83 0.00 1.59 1.75 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 141 D 8.32 4.81 0.00 2.64 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 0.00 0.00 0.00 142 I 8.58 3.60 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.35 0.90 0.00 0.00