NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.3533 0.0000 0.0000 62.3928 32.2697 175.9200 5 T 4.0366 7.9172 109.5752 59.2119 70.6988 173.9188 6 I 3.6942 8.3349 115.1978 64.2088 37.8523 178.7622 7 N 4.2359 8.1702 118.5881 56.5892 38.8892 176.4508 8 Q 3.9836 8.6447 119.5276 59.0385 28.2401 179.2094 9 L 4.0894 7.5449 119.0124 57.7811 41.4952 179.5180 10 V 3.6336 7.7995 117.3599 64.2685 31.7413 177.4666 11 R 4.5670 8.8722 119.8483 55.7665 29.0541 178.1939 12 K 4.1264 8.7340 128.0198 60.0810 32.7359 176.6385 13 G 3.9501 7.6000 102.2341 45.0275 0.0000 172.4991 14 R 4.2649 8.0890 117.6559 54.7097 30.6702 176.4981 15 E 4.0702 8.6085 124.6903 55.5743 30.3309 176.1425 16 K 4.2116 8.4207 127.3267 55.9309 33.2357 176.7000 17 V 3.6149 8.7015 119.3956 64.3587 31.4907 176.4196 18 R 3.5387 7.8489 118.0101 56.8852 27.2371 175.2347 19 K 4.4249 7.8997 121.4959 55.4176 34.5413 176.5590 20 K 4.5916 7.9114 116.5080 54.5453 35.8842 176.1247 21 S 4.3958 8.4086 115.6895 58.5050 62.9832 173.8241 22 K 4.4975 8.0860 117.6203 55.5355 33.6947 177.5161 23 V 4.0486 7.7655 118.0916 61.6661 32.9140 172.5832 24 P 4.5833 0.0000 0.0000 62.2520 30.1393 177.9972 25 A 4.0690 7.9799 117.6569 53.0403 18.8971 175.9960 26 L 3.3883 7.8187 123.9131 55.0222 43.0916 174.1319 27 K 3.6635 9.3550 118.7428 56.2167 29.9945 175.0124 28 G 3.9955 8.1463 103.9713 45.8621 0.0000 173.6887 29 A 4.1643 7.5742 121.2969 51.2608 18.9060 177.1454 30 P 4.0168 0.0000 0.0000 64.9853 31.7165 176.7807 31 F 5.1147 7.3304 113.5311 56.6446 43.0811 173.6685 32 R 4.7096 8.5445 119.9844 54.7884 33.5209 174.6697 33 R 4.7561 8.7872 125.9795 56.4695 32.0961 174.6449 34 G 3.9745 8.1464 108.1532 46.0206 0.0000 172.1690 35 V 4.9701 7.7998 119.6413 60.7975 34.2731 174.6177 36 C 4.4348 9.0328 125.5951 60.4879 27.9036 173.4557 37 T 4.2322 9.3574 119.9660 64.0455 68.3247 175.4843 38 V 4.3408 7.4107 120.5338 61.8068 35.0942 172.7126 39 V 4.4112 8.4570 128.5565 61.9212 32.5121 174.6482 40 R 4.7746 9.0673 127.4325 55.4062 34.6028 173.0184 41 T 5.7393 8.2900 114.6749 59.4052 70.0788 173.1476 42 V 4.7317 8.3335 120.9842 59.3400 35.8472 175.1014 43 T 4.2643 8.4949 114.2373 61.5061 69.6010 173.0080 44 P 4.6383 0.0000 0.0000 62.2001 33.1963 175.4648 45 K 4.4590 8.0129 121.5651 56.1366 32.8220 177.1601 46 K 3.6418 8.8448 121.8898 60.0265 31.9985 176.7503 47 P 4.5972 0.0000 0.0000 63.1242 32.4370 174.4225 48 N 5.2109 6.7917 116.5507 53.6889 41.1774 173.3838 49 S 4.4236 7.9222 109.9573 58.1616 64.7137 175.7171 50 A 4.2767 8.9574 134.5049 50.9129 19.4294 176.2233 51 L 4.1048 8.1858 124.0259 57.4998 40.7017 177.6709 52 R 4.4350 9.3082 123.6366 55.6786 32.1020 176.2095 53 K 4.7392 8.8653 121.0053 55.5440 33.3377 175.9272 54 V 5.1477 8.8799 124.2479 61.5425 36.0329 173.5493 55 A 5.1206 8.8429 123.9014 50.4865 23.1183 175.3514 56 K 4.7909 9.0116 121.1246 55.4019 33.8826 175.9525 57 V 4.7847 9.4838 126.3432 60.9826 34.4798 174.2292 58 R 4.6376 8.8000 128.6042 55.5916 31.1735 175.9006 59 L 4.6668 8.0683 125.4667 54.0394 42.7010 177.3300 60 T 3.9995 8.2966 111.4519 65.0358 68.8918 176.7515 61 S 4.5217 8.0380 115.9488 58.0361 62.5935 175.8795 62 G 4.0460 8.2829 108.1694 47.4702 0.0000 175.6381 63 Y 4.1814 7.9536 117.6545 59.3961 38.6917 174.3587 64 E 5.1047 8.3116 116.1589 56.7856 30.8920 176.1815 65 V 4.5848 8.5232 126.5096 60.8848 34.8004 174.0022 66 T 4.8439 8.4178 114.3551 60.7426 70.4746 173.8778 67 A 5.0784 9.1368 125.3946 50.5382 23.3220 174.6101 68 Y 4.8596 9.0744 122.7148 57.5743 40.4608 174.6832 69 I 4.4368 8.0206 127.7399 58.9858 37.7103 174.0643 70 P 3.9180 0.0000 0.0000 62.7672 31.9779 177.3084 71 G 3.9418 8.7996 107.0475 45.2011 0.0000 172.2681 72 E 4.3228 8.3659 118.0014 55.5711 30.4708 173.6835 73 G 4.0261 9.1839 118.9332 45.3114 0.0000 172.0722 74 H 4.8560 8.1470 116.0864 54.7280 31.2572 172.7536 75 N 5.0092 8.5454 113.4405 52.3766 37.8769 174.2174 76 L 4.3155 8.2153 118.1584 55.2849 42.5101 175.9276 77 Q 4.6294 8.4159 119.5580 54.3684 33.0789 175.9484 78 E 4.3597 8.5882 116.9351 56.5485 28.6375 177.0315 79 H 4.7213 8.9416 110.7244 56.0852 33.9844 174.1463 80 S 4.8651 8.3941 117.0104 58.0605 63.5033 174.3363 81 V 4.3285 8.7049 125.2662 62.1350 32.9133 175.3293 82 V 4.5756 8.7822 120.4423 61.2399 35.2807 171.2702 83 L 4.9803 8.4821 123.5467 53.8635 43.5418 174.7089 84 I 4.7151 8.8200 126.7241 59.8909 39.3990 175.6776 85 R 4.6601 9.5291 128.2734 55.1972 32.6331 172.2243 86 G 3.8461 8.6272 115.8101 43.7037 0.0000 172.8339 87 G 4.7194 7.3810 124.8210 45.2311 0.0000 172.9248 88 R 4.7563 7.8392 123.4217 55.4371 30.9735 175.8542 89 V 4.1393 7.9651 117.9795 61.9322 33.0957 175.5716 90 K 3.8248 8.8751 128.1922 59.7210 32.4083 178.0193 91 D 4.4257 8.0215 117.5228 55.6949 41.5597 175.4876 92 L 4.9266 7.3480 118.3725 51.6719 44.0293 174.4469 93 P 4.1540 0.0000 0.0000 63.6223 31.5230 176.2540 94 G 3.9438 8.7302 109.6486 46.2328 0.0000 172.0014 95 V 4.4639 7.3184 122.2531 62.4215 32.7034 173.6450 96 R 4.6321 8.3421 122.9089 55.3713 31.5689 174.7394 97 Y 5.0107 7.7864 115.3466 57.2436 42.7087 173.3438 98 H 5.2332 8.9815 119.6876 54.2173 31.3336 174.5856 99 I 4.3701 8.9055 123.0398 61.0180 39.1216 175.0833 100 V 4.2881 7.9848 125.7598 60.8118 32.8496 175.6985 101 R 3.9893 8.3845 128.0390 57.5950 30.4914 177.3677 102 G 4.1010 9.2329 111.1902 45.0561 0.0000 173.2036 103 V 4.1524 7.0638 118.1472 61.8892 35.2140 175.2021 104 Y 3.6616 8.1199 123.1466 59.6162 36.5330 171.4659 105 D 4.4568 8.6998 123.7602 56.3465 41.1842 175.2042 106 A 4.8308 7.9363 122.9339 50.3650 20.0067 177.4090 107 A 4.3508 9.6193 125.3495 52.3833 19.7358 176.6337 108 G 4.5428 8.2803 105.9435 44.3624 0.0000 174.0458 109 V 3.8690 8.3287 120.7458 62.2406 32.4375 175.4328 110 K 3.8892 8.6121 129.9543 57.8111 32.4098 176.1327 111 D 4.5855 8.9264 124.4500 54.5685 38.1938 173.8584 112 R 4.0392 7.4252 119.4139 56.2057 30.4869 176.2613 113 K 4.3475 8.5807 123.5499 56.8419 33.8610 176.6450 114 K 4.2995 7.8708 118.0292 55.9789 33.1763 176.6397 115 S 3.8049 8.6597 119.9813 60.1142 59.9861 173.7931 116 R 4.1428 7.7026 119.5308 58.8291 30.0566 178.5993 117 S 4.1436 8.0722 112.3734 60.8205 62.5515 175.1272 118 K 4.2597 7.6065 117.7040 56.8088 32.3162 176.6305 119 Y 4.5201 7.6794 116.8436 56.7621 40.0031 175.6135 120 G 4.3931 8.0395 105.9516 45.8027 0.0000 173.3343 121 T 4.7443 7.2905 111.9932 61.2633 72.2363 174.8413 122 K 4.0980 8.5272 127.0996 55.7044 32.9804 175.9021 123 K 4.1161 8.3631 124.1313 55.0785 32.4350 174.9332 124 P 4.3363 0.0000 0.0000 62.3947 31.8997 176.1427 125 K 4.0970 8.5626 121.0207 56.8398 32.0835 176.3521 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 4 P 0.00 4.35 0.00 2.19 2.14 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 1.88 1.96 0.00 5 T 7.92 4.04 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 6 I 8.33 3.69 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 1.52 0.89 0.91 0.00 0.00 7 N 8.17 4.24 0.00 2.77 2.86 0.00 0.00 7.16 7.59 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 8 Q 8.64 3.98 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.60 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 9 L 7.54 4.09 0.00 1.93 1.71 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.80 3.63 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 0.83 0.00 0.00 1.00 0.00 0.00 11 R 8.87 4.57 0.00 1.95 1.07 0.00 3.25 0.00 0.00 3.15 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 12 K 8.73 4.13 0.00 1.72 1.81 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.50 7.81 13 G 7.60 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 14 R 8.09 4.26 0.00 1.81 1.88 0.00 3.37 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 15 E 8.61 4.07 0.00 1.92 1.85 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 2.29 2.29 0.00 16 K 8.42 4.21 0.00 1.75 1.68 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.40 7.81 17 V 8.70 3.61 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 0.93 0.00 0.00 18 R 7.85 3.54 0.00 1.87 1.89 0.00 3.23 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 19 K 7.90 4.42 0.00 1.89 1.82 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.39 7.81 20 K 7.91 4.59 0.00 1.70 1.69 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.41 7.81 21 S 8.41 4.40 0.00 3.82 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 22 K 8.09 4.50 0.00 1.66 1.66 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.36 7.81 23 V 7.77 4.05 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 0.76 0.00 0.00 0.56 0.00 0.00 24 P 0.00 4.58 0.00 2.40 2.37 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.15 0.00 25 A 7.98 4.07 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 26 L 7.82 3.39 0.00 1.44 1.45 0.90 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.35 3.66 0.00 1.86 1.82 0.00 1.94 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.40 7.81 28 G 8.15 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 29 A 7.57 4.16 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 30 P 0.00 4.02 0.00 1.63 1.72 0.00 3.71 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 31 F 7.33 5.11 0.00 2.91 2.99 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 32 R 8.54 4.71 0.00 1.90 1.68 0.00 3.26 0.00 0.00 3.03 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.60 0.00 33 R 8.79 4.76 0.00 1.99 1.77 0.00 2.99 0.00 0.00 2.78 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.49 0.00 34 G 8.15 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 35 V 7.80 4.97 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 1.08 0.00 0.00 0.90 0.00 0.00 36 C 9.03 4.43 0.00 3.01 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 37 T 9.36 4.23 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 1.25 0.00 0.00 38 V 7.41 4.34 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 0.90 0.00 0.00 0.93 0.00 0.00 39 V 8.46 4.41 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 0.91 0.00 0.00 1.04 0.00 0.00 40 R 9.07 4.77 0.00 1.85 1.74 0.00 3.28 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 41 T 8.29 5.74 4.29 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 1.24 0.00 0.00 42 V 8.33 4.73 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 0.76 0.00 0.00 0.97 0.00 0.00 43 T 8.49 4.26 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 44 P 0.00 4.64 0.00 1.95 2.31 0.00 3.66 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.25 0.00 45 K 8.01 4.46 0.00 1.97 1.66 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 46 K 8.84 3.64 0.00 1.70 1.86 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.46 7.81 47 P 0.00 4.60 0.00 2.19 2.14 0.00 3.50 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 1.92 2.08 0.00 48 N 6.79 5.21 0.00 2.75 2.79 0.00 0.00 6.77 7.45 0.00 0.00 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 S 7.92 4.42 0.00 3.78 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 50 A 8.96 4.28 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 51 L 8.19 4.10 0.00 1.67 1.78 0.95 0.72 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 52 R 9.31 4.43 0.00 1.94 2.04 0.00 3.41 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.77 0.00 53 K 8.87 4.74 0.00 1.77 1.73 0.00 1.59 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.56 1.58 7.81 54 V 8.88 5.15 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 1.21 0.00 0.00 1.12 0.00 0.00 55 A 8.84 5.12 1.21 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 56 K 9.01 4.79 0.00 1.72 1.75 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.40 7.81 57 V 9.48 4.78 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 1.00 0.00 0.00 0.94 0.00 0.00 58 R 8.80 4.64 0.00 1.92 1.77 0.00 3.14 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 59 L 8.07 4.67 0.00 1.75 1.61 0.85 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.30 4.00 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 1.25 0.00 0.00 61 S 8.04 4.52 0.00 3.90 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 62 G 8.28 4.05 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 0.00 0.00 0.00 63 Y 7.95 4.18 0.00 2.95 2.92 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 64 E 8.31 5.10 0.00 1.92 1.80 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 2.12 2.22 0.00 65 V 8.52 4.58 1.80 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 0.94 0.00 0.00 0.76 0.00 0.00 66 T 8.42 4.84 4.29 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 1.25 0.00 0.00 67 A 9.14 5.08 1.28 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 0.00 0.00 68 Y 9.07 4.86 0.00 2.99 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 69 I 8.02 4.44 1.79 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 0.99 0.49 0.71 0.00 0.00 70 P 0.00 3.92 0.00 1.94 1.92 0.00 3.55 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 1.87 2.00 0.00 71 G 8.80 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 0.00 0.00 0.00 72 E 8.37 4.32 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.22 0.00 73 G 9.18 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 74 H 8.15 4.86 0.00 3.22 3.26 0.00 5.47 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 75 N 8.55 5.01 0.00 2.80 2.87 0.00 0.00 5.99 7.79 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 76 L 8.22 4.32 0.00 1.74 1.68 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.42 4.63 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.13 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 78 E 8.59 4.36 0.00 1.92 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 2.32 2.32 0.00 79 H 8.94 4.72 0.00 2.96 3.22 0.00 5.72 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.39 4.87 0.00 3.89 3.85 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 81 V 8.70 4.33 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 0.82 0.00 0.00 0.58 0.00 0.00 82 V 8.78 4.58 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 0.64 0.00 0.00 0.99 0.00 0.00 83 L 8.48 4.98 0.00 1.63 1.48 0.82 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.82 4.72 1.98 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.23 1.04 0.00 0.00 85 R 9.53 4.66 0.00 1.96 2.17 0.00 3.51 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.95 0.00 86 G 8.63 3.85 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 0.00 0.00 0.00 87 G 7.38 4.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 7.84 4.76 0.00 1.86 1.90 0.00 2.57 0.00 0.00 3.76 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 89 V 7.97 4.14 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 0.77 0.00 0.00 0.68 0.00 0.00 90 K 8.88 3.82 0.00 1.75 1.86 0.00 1.80 0.00 0.00 1.61 0.00 0.00 2.71 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.39 7.81 91 D 8.02 4.43 0.00 2.67 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 92 L 7.35 4.93 0.00 1.57 1.48 0.67 1.01 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 93 P 0.00 4.15 0.00 2.04 2.00 0.00 3.81 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 2.07 0.00 94 G 8.73 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 0.00 0.00 0.00 95 V 7.32 4.46 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 1.00 0.00 0.00 1.00 0.00 0.00 96 R 8.34 4.63 0.00 1.55 1.31 0.00 3.36 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 97 Y 7.79 5.01 0.00 2.92 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 98 H 8.98 5.23 0.00 3.23 3.24 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.91 4.37 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.64 0.90 0.00 0.00 100 V 7.98 4.29 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 0.66 0.00 0.00 0.89 0.00 0.00 101 R 8.38 3.99 0.00 1.84 1.94 0.00 3.27 0.00 0.00 3.42 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 102 G 9.23 4.10 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 0.00 0.00 0.00 103 V 7.06 4.15 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 -0.07 0.00 0.00 0.65 0.00 0.00 104 Y 8.12 3.66 0.00 3.13 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 0.00 105 D 8.70 4.46 0.00 2.90 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 0.00 106 A 7.94 4.83 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 0.00 107 A 9.62 4.35 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 0.00 108 G 8.28 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.33 3.87 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 0.88 0.00 0.00 1.16 0.00 0.00 110 K 8.61 3.89 0.00 1.75 1.70 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.46 7.81 111 D 8.93 4.59 0.00 2.87 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 0.00 112 R 7.43 4.04 0.00 1.78 1.79 0.00 3.12 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.48 0.00 113 K 8.58 4.35 0.00 1.75 1.81 0.00 1.79 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.33 1.36 7.81 114 K 7.87 4.30 0.00 1.70 1.73 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.43 7.81 115 S 8.66 3.80 0.00 4.14 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 R 7.70 4.14 0.00 1.88 2.15 0.00 3.24 0.00 0.00 3.27 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.79 0.00 117 S 8.07 4.14 0.00 3.86 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 0.00 118 K 7.61 4.26 0.00 1.68 1.49 0.00 1.73 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.45 7.81 119 Y 7.68 4.52 0.00 3.04 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 0.00 120 G 8.04 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 0.00 121 T 7.29 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 1.29 0.00 0.00 122 K 8.53 4.10 0.00 1.69 1.71 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.48 7.81 123 K 8.36 4.12 0.00 1.73 1.71 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.42 1.48 7.81 124 P 0.00 4.34 0.00 2.21 2.04 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 1.98 1.95 0.00 125 K 8.56 4.10 0.00 1.71 1.73 0.00 1.69 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.49 7.81