NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.3853 8.3033 121.7402 55.9241 31.1047 174.6880 2 Q 4.3891 8.7764 126.8980 55.4767 29.4706 174.0932 3 L 5.1210 8.1852 121.6858 53.1714 46.1886 175.4372 4 T 4.5227 8.3561 110.4809 59.6280 71.1281 175.5707 5 K 3.4704 8.6246 123.1532 60.9571 31.8143 179.8199 6 C 4.3752 8.0563 116.7071 59.5400 38.2192 175.8262 7 E 3.9608 8.2763 120.5510 59.4483 29.0782 179.3001 8 V 3.5264 7.6664 117.7752 65.9075 31.2315 177.3549 9 F 3.7767 8.0259 119.6520 61.4847 39.2970 177.1341 10 R 4.1895 7.6334 112.7744 59.1567 29.4849 178.2956 11 E 4.1385 8.2188 119.3349 59.1427 29.3922 178.5085 12 L 4.3144 7.9323 117.0626 54.6552 41.3827 178.6063 13 K 3.8635 7.5976 123.6735 59.9199 32.0511 178.1435 14 D 4.5419 7.9732 115.0425 55.9040 41.0175 176.6918 15 L 4.3613 8.3369 119.5103 54.3093 42.5587 176.4521 16 K 4.0409 7.5760 120.5688 57.9681 32.4206 177.5325 17 G 4.0020 9.1407 112.5257 46.2771 0.0000 172.9313 18 Y 3.9592 7.9740 122.2418 58.8958 39.0170 176.4514 19 G 3.5622 8.8874 114.1771 46.2691 0.0000 174.0321 20 G 3.8014 8.3883 106.0169 45.3968 0.0000 173.8233 21 V 4.1778 7.5658 120.2387 61.0798 32.8597 175.6350 22 S 4.8792 9.0823 122.7179 57.3063 65.7271 175.2868 23 L 3.9859 8.3769 122.9420 57.7720 41.3782 178.0366 24 P 4.5802 0.0000 0.0000 65.7383 31.1591 178.4915 25 E 3.8613 7.6712 117.1145 58.8617 29.3100 179.3614 26 W 4.2463 7.8939 119.0598 59.7457 29.2415 178.6270 27 V 3.7707 8.2969 118.6514 66.3375 30.6617 177.2751 28 C 2.5888 7.6331 117.5434 59.2703 38.5889 175.7099 29 T 3.7952 7.9261 117.9583 66.8435 68.1069 176.9480 30 T 4.4658 8.3522 113.3342 64.0305 68.6884 176.4475 31 F 3.1723 7.7484 123.3583 60.9654 39.1269 176.4391 32 H 4.1827 7.6532 113.9978 57.3603 28.9990 177.2230 33 T 4.3066 7.6003 112.1707 63.3775 69.3417 176.1840 34 S 4.3939 7.6722 112.8536 56.3222 64.1104 174.4053 35 G 3.7309 8.6144 107.2541 46.6257 0.0000 174.3043 36 Y 3.9022 7.7305 114.3904 57.7907 35.6239 168.0428 37 D 5.1491 8.0454 121.5318 53.1880 41.6393 176.7977 38 T 4.1322 8.6074 117.5668 63.2511 69.5605 175.4353 39 Q 4.8296 8.0170 119.8126 55.6148 30.0291 175.6360 40 A 4.2168 8.0438 122.7261 52.3078 19.6908 177.6292 41 I 4.7915 8.1493 121.5297 59.7821 41.1334 174.6741 42 V 4.1737 8.2474 126.8211 60.9604 34.0910 175.0101 43 Q 4.7055 8.5429 130.6898 54.3502 26.9671 174.2973 44 N 4.4316 8.8823 123.2312 53.6039 39.7949 176.0732 45 N 3.7369 7.3487 116.2058 55.4319 39.0679 175.2625 46 D 4.8348 7.8909 115.4992 53.3078 43.1675 175.0722 47 S 4.9696 7.6010 112.6262 57.4539 66.7982 172.8154 48 T 4.7734 9.9662 118.0301 61.8907 71.2371 173.4280 49 E 5.2530 8.6186 124.6463 54.8588 32.7921 174.5618 50 Y 4.9763 9.6142 122.0771 57.4683 41.3936 177.7574 51 G 4.2268 8.7872 111.2775 44.7964 0.0000 173.3600 52 L 4.0632 8.5776 118.8348 57.3999 41.8245 178.8883 53 F 4.6610 7.9596 113.2125 57.0567 39.9572 175.1778 54 Q 3.5523 7.7666 118.9363 57.0751 26.5353 174.0746 55 I 4.2970 8.1198 119.3304 61.1377 38.9556 177.4081 56 N 5.5340 9.2725 124.4961 51.9239 39.4603 174.3155 57 N 6.0108 8.9572 116.7522 53.5139 37.8698 175.8531 58 K 4.5677 8.8910 121.5012 58.7973 33.9160 177.3994 59 I 4.9428 7.7742 109.1669 58.9513 39.3704 176.9407 60 W 4.5303 8.4059 122.8035 58.3103 30.1671 174.6703 61 C 5.6287 8.2753 111.4619 53.3609 46.2482 172.8490 62 K 5.1357 8.4388 119.0536 55.5819 34.9103 175.1114 63 D 5.0338 8.1714 120.5078 52.4230 42.2535 174.4922 64 D 4.4719 8.9447 117.0627 58.0704 41.1969 177.7005 65 Q 4.1450 8.3783 116.5600 58.6324 28.6305 177.3170 66 N 4.8990 8.8568 118.7099 50.7431 38.7430 171.8108 67 P 4.3719 0.0000 0.0000 65.2933 31.8144 177.5123 68 H 4.2072 8.2742 115.2572 57.1595 30.0415 174.7289 69 S 4.1329 7.8561 113.0137 58.7665 62.7753 174.6750 70 S 4.0115 8.4452 120.4827 59.5928 63.7117 173.3865 71 N 4.5105 7.8306 119.5019 54.6629 37.2754 174.7262 72 I 3.7452 8.3286 120.6692 64.5669 37.8125 177.4716 73 C 4.5078 8.7111 115.9788 56.9748 40.8903 172.7892 74 N 4.5181 7.6870 117.0064 51.9882 37.2167 172.6693 75 I 4.1341 6.6873 116.9030 59.8556 41.4881 172.7990 76 S 4.5291 8.0951 120.5219 57.8958 63.0443 175.6532 77 C 3.7013 8.5904 125.9043 60.0563 40.0968 176.0472 78 D 4.1157 7.6476 119.6053 55.6494 38.8445 177.9550 79 K 4.1358 7.6669 119.0935 57.8295 31.7555 177.2168 80 F 5.5357 7.6230 117.3942 56.6336 39.0596 176.6951 81 L 5.2981 8.1526 119.0832 53.7395 42.6749 176.2998 82 D 4.7927 7.8076 118.3588 52.5255 41.5880 175.4752 83 D 4.5497 8.5305 117.2902 54.8082 41.2929 175.8386 84 D 4.6825 7.9155 119.7178 53.0530 41.2933 176.4715 85 L 4.6811 8.6214 127.9575 54.8021 41.8337 178.5052 86 T 3.8730 7.9371 111.3951 64.9767 68.5770 175.7255 87 D 4.4551 8.0763 120.9464 55.6303 39.9096 178.2278 88 D 4.1564 8.1808 120.0600 57.3730 40.9290 178.5344 89 I 3.2868 8.0513 120.6327 64.3099 36.9552 178.4016 90 M 3.8715 7.5429 119.4854 58.5399 31.8329 177.9969 91 C 4.2402 7.9451 118.1016 59.5895 43.6710 175.7078 92 V 3.2047 7.4365 119.8769 65.7675 30.8398 178.2225 93 K 3.6213 7.6183 118.2556 58.9901 31.8499 179.4710 94 K 3.9817 7.6208 118.4742 59.4793 31.9945 179.3913 95 I 2.9151 7.3166 119.8744 64.0420 36.9309 178.4162 96 L 4.1388 8.1506 119.9913 58.2006 41.3401 179.5058 97 D 4.5259 8.3891 117.3045 56.4790 40.7273 178.1973 98 K 4.4681 7.7726 117.6002 57.6594 33.1974 177.7606 99 V 4.2670 8.2314 108.2870 59.8580 33.4803 176.6985 100 G 4.0267 8.0772 109.9648 44.1558 0.0000 174.3739 101 I 3.9980 8.2439 117.5686 63.9005 37.7756 177.1960 102 N 4.5564 8.1981 116.0971 55.5611 38.5572 175.2666 103 Y 3.8843 7.7900 118.7244 59.5433 38.9177 175.9961 104 W 4.4656 8.1948 120.5749 54.6749 28.3317 176.2931 105 L 3.9560 8.3281 124.4295 57.8000 41.1172 178.9994 106 A 4.0262 8.0915 119.9119 54.9086 18.2453 179.0182 107 H 3.9379 8.3637 117.3623 59.4838 29.8303 177.5041 108 K 4.1266 8.3192 120.7293 58.7045 32.1729 178.0177 109 A 4.2791 7.6298 120.4536 53.8869 18.7037 177.8483 110 L 4.7712 7.9660 112.4568 54.4662 44.2780 175.8411 111 C 5.0327 8.2823 116.5150 57.2290 36.2422 174.5409 112 S 4.6771 7.6907 112.5791 57.4910 63.4997 173.4664 113 E 4.6628 8.2859 114.2446 56.8258 31.7189 175.4758 114 K 3.8026 8.6706 119.5438 57.8411 29.1392 174.9928 115 L 5.0289 7.4611 115.2643 54.7664 42.8327 178.9156 116 D 4.4512 8.1718 121.9555 57.3684 40.9030 178.6087 117 Q 3.8843 7.9602 115.6663 58.4363 28.4031 177.1856 118 W 4.5959 7.6273 116.5329 57.2521 29.5424 176.6846 119 L 4.3752 7.6496 118.9782 54.4335 42.9712 176.0944 120 C 3.9515 8.4454 125.3913 58.0679 42.1281 174.0724 121 E 4.5156 8.7251 115.0749 56.6946 30.1318 178.3299 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 E 8.30 4.39 0.00 2.16 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 2.29 2.37 0.00 2 Q 8.78 4.39 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.66 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 3 L 8.19 5.12 0.00 1.53 1.41 0.88 0.83 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 4 T 8.36 4.52 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 1.23 0.00 0.00 5 K 8.62 3.47 0.00 2.20 2.30 0.00 1.59 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.58 7.81 6 C 8.06 4.38 0.00 2.95 3.14 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 0.00 7 E 8.28 3.96 0.00 2.04 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 0.00 2.30 2.26 0.00 8 V 7.67 3.53 2.17 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 1.12 0.00 0.00 0.59 0.00 0.00 9 F 8.03 3.78 0.00 3.35 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 10 R 7.63 4.19 0.00 2.10 2.12 0.00 3.14 0.00 0.00 3.24 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.69 0.00 11 E 8.22 4.14 0.00 2.14 2.01 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 2.54 2.47 0.00 12 L 7.93 4.31 0.00 1.52 1.41 0.80 0.69 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 13 K 7.60 3.86 0.00 2.06 1.82 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.51 7.81 14 D 7.97 4.54 0.00 2.57 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 15 L 8.34 4.36 0.00 1.55 1.56 -0.34 0.12 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 16 K 7.58 4.04 0.00 1.66 1.78 0.00 1.97 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.44 7.81 17 G 9.14 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 18 Y 7.97 3.96 0.00 3.18 3.01 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 19 G 8.89 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 G 8.39 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 21 V 7.57 4.18 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 0.09 0.00 0.00 0.73 0.00 0.00 22 S 9.08 4.88 0.00 4.06 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 23 L 8.38 3.99 0.00 1.32 0.93 0.62 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 4.58 0.00 2.25 2.32 0.00 3.57 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 2.26 2.49 0.00 25 E 7.67 3.86 0.00 1.96 1.76 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 2.22 2.27 0.00 26 W 7.89 4.25 0.00 3.42 3.03 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 27 V 8.30 3.77 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 1.09 0.00 0.00 28 C 7.63 2.59 0.00 1.50 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 29 T 7.93 3.80 4.37 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 1.19 0.00 0.00 30 T 8.35 4.47 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 31 F 7.75 3.17 0.00 2.66 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 32 H 7.65 4.18 0.00 3.09 3.31 0.00 5.89 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 33 T 7.60 4.31 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 1.49 0.00 0.00 34 S 7.67 4.39 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 35 G 8.61 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 7.73 3.90 0.00 3.35 3.17 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 37 D 8.05 5.15 0.00 2.80 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 38 T 8.61 4.13 4.40 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 1.27 0.00 0.00 39 Q 8.02 4.83 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.87 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 40 A 8.04 4.22 1.27 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 0.00 0.00 41 I 8.15 4.79 1.81 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.88 0.62 0.00 0.00 42 V 8.25 4.17 2.17 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 0.91 0.00 0.00 0.94 0.00 0.00 43 Q 8.54 4.71 0.00 2.07 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.77 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 44 N 8.88 4.43 0.00 2.73 2.79 0.00 0.00 7.22 6.60 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 45 N 7.35 3.74 0.00 2.74 2.75 0.00 0.00 6.60 8.06 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 46 D 7.89 4.83 0.00 2.56 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 S 7.60 4.97 0.00 4.07 3.96 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 48 T 9.97 4.77 4.31 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 0.56 0.00 0.00 49 E 8.62 5.25 0.00 2.04 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 50 Y 9.61 4.98 0.00 3.08 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.79 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.58 4.06 0.00 1.39 1.14 0.88 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 7.96 4.66 0.00 3.09 3.33 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 54 Q 7.77 3.55 0.00 2.44 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.84 0.00 0.00 0.00 0.00 0.00 2.50 2.64 0.00 55 I 8.12 4.30 1.96 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.64 1.00 0.00 0.00 56 N 9.27 5.53 0.00 3.07 3.17 0.00 0.00 6.38 6.30 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 57 N 8.96 6.01 0.00 3.04 3.35 0.00 0.00 6.73 7.51 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 58 K 8.89 4.57 0.00 1.97 1.90 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.34 1.38 7.81 59 I 7.77 4.94 1.39 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 -0.36 0.73 0.00 0.00 60 W 8.41 4.53 0.00 3.67 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 C 8.28 5.63 0.00 3.11 3.46 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 62 K 8.44 5.14 0.00 1.83 1.92 0.00 1.22 0.00 0.00 1.66 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.30 7.81 63 D 8.17 5.03 0.00 2.63 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.94 4.47 0.00 2.72 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 65 Q 8.38 4.15 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.11 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 66 N 8.86 4.90 0.00 2.64 2.86 0.00 0.00 7.35 8.05 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 67 P 0.00 4.37 0.00 2.09 2.09 0.00 3.75 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.22 0.00 68 H 8.27 4.21 0.00 3.12 3.29 0.00 5.77 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 69 S 7.86 4.13 0.00 4.15 3.78 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 70 S 8.45 4.01 0.00 3.98 4.02 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 71 N 7.83 4.51 0.00 2.79 2.74 0.00 0.00 7.03 8.40 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 72 I 8.33 3.75 1.70 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.47 1.07 0.00 0.00 73 C 8.71 4.51 0.00 3.45 3.35 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 74 N 7.69 4.52 0.00 2.81 2.81 0.00 0.00 6.91 8.02 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 75 I 6.69 4.13 1.83 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.78 0.74 0.00 0.00 76 S 8.10 4.53 0.00 3.77 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 77 C 8.59 3.70 0.00 2.09 1.51 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 0.00 0.00 0.00 0.00 78 D 7.65 4.12 0.00 2.82 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 79 K 7.67 4.14 0.00 1.30 1.90 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.28 1.44 7.81 80 F 7.62 5.54 0.00 3.35 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.15 5.30 0.00 1.83 1.76 1.12 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.81 4.79 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 D 8.53 4.55 0.00 2.70 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 84 D 7.92 4.68 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.62 4.68 0.00 1.74 1.74 0.87 0.86 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 86 T 7.94 3.87 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 1.26 0.00 0.00 87 D 8.08 4.46 0.00 3.00 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 88 D 8.18 4.16 0.00 3.04 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 8.05 3.29 1.86 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.85 0.61 0.00 0.00 90 M 7.54 3.87 0.00 2.01 2.23 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 2.76 2.48 0.00 91 C 7.95 4.24 0.00 3.15 2.97 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 92 V 7.44 3.20 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 0.35 0.00 0.00 -0.38 0.00 0.00 93 K 7.62 3.62 0.00 1.77 1.44 0.00 1.39 0.00 0.00 1.13 0.00 0.00 2.40 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.30 1.06 7.81 94 K 7.62 3.98 0.00 1.94 2.00 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.70 7.81 95 I 7.32 2.92 1.66 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.33 -0.15 0.00 0.00 96 L 8.15 4.14 0.00 2.09 2.00 1.34 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.39 4.53 0.00 2.88 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 98 K 7.77 4.47 0.00 2.15 2.09 0.00 2.09 0.00 0.00 1.97 0.00 0.00 3.12 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.59 7.81 99 V 8.23 4.27 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 0.94 0.00 0.00 1.11 0.00 0.00 100 G 8.08 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 0.00 101 I 8.24 4.00 1.72 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.88 0.80 0.00 0.00 102 N 8.20 4.56 0.00 2.80 2.90 0.00 0.00 6.85 7.46 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 0.00 103 Y 7.79 3.88 0.00 2.60 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 0.00 0.00 0.00 0.00 104 W 8.19 4.47 0.00 3.71 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 8.33 3.96 0.00 1.66 1.72 0.85 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.09 4.03 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 0.00 107 H 8.36 3.94 0.00 3.12 3.49 0.00 5.59 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.32 4.13 0.00 1.85 1.85 0.00 1.67 0.00 0.00 0.61 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.37 7.81 109 A 7.63 4.28 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 7.97 4.77 0.00 1.39 1.57 0.91 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 111 C 8.28 5.03 0.00 2.77 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 0.00 112 S 7.69 4.68 0.00 3.78 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 0.00 113 E 8.29 4.66 0.00 2.03 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 2.11 2.28 0.00 114 K 8.67 3.80 0.00 1.97 1.91 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.37 1.47 7.81 115 L 7.46 5.03 0.00 1.82 1.88 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 116 D 8.17 4.45 0.00 2.71 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 0.00 117 Q 7.96 3.88 0.00 1.69 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.00 0.00 0.00 0.00 0.00 0.00 2.01 1.16 0.00 118 W 7.63 4.60 0.00 3.50 3.41 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 0.00 119 L 7.65 4.38 0.00 1.72 1.50 0.95 1.08 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 0.00 120 C 8.45 3.95 0.00 2.60 2.24 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 0.00 121 E 8.73 4.52 0.00 1.97 1.62 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 2.00 1.72 0.00