NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Y 5.0300 8.1293 119.0421 56.9350 39.8241 173.6765 5 E 4.5314 8.7250 119.2534 53.8145 31.9852 171.3284 6 E 5.4270 9.1025 124.4850 54.8571 32.5336 176.1865 7 V 4.4951 8.8739 124.7693 61.2010 35.1489 173.7321 8 S 5.3882 8.8634 122.2457 56.8220 64.0725 173.2309 9 V 4.8615 9.1643 119.7053 59.7173 36.4411 174.4865 10 S 4.8731 9.2972 116.4367 58.3036 64.7648 174.8649 11 G 4.2628 9.4283 112.4648 45.6188 0.0000 173.8751 12 F 3.9486 8.8223 120.7847 60.7935 39.3740 177.0088 13 E 3.8804 8.2949 118.5826 59.5000 29.5115 178.5786 14 E 3.9769 8.1856 118.0318 59.1561 29.5746 178.9151 15 F 4.0184 8.0550 120.3495 61.6660 39.6731 176.5127 16 H 3.7344 8.0393 117.9973 59.1879 29.3716 177.1106 17 R 3.7383 7.7963 119.9970 59.2770 29.7113 178.3455 18 A 3.9163 7.5715 119.4542 55.2929 18.7691 179.7866 19 V 3.3881 7.2797 110.7992 64.2645 31.2272 178.7048 20 E 3.9277 7.5714 117.3607 59.2437 29.3729 178.7598 21 Q 4.2198 7.6470 115.7181 57.3630 29.0403 176.2669 22 H 4.8689 7.6355 116.4453 55.2046 30.1064 174.8091 23 N 4.1094 8.3623 121.0520 56.3404 38.6214 175.3382 24 G 4.2148 7.9344 105.1425 44.9861 0.0000 172.9811 25 K 4.7151 7.9807 117.6574 53.9595 36.0376 176.4282 26 T 4.0736 8.4586 118.1863 63.8740 69.6203 173.2995 27 I 5.0156 8.3698 126.8184 59.4521 40.5756 174.3274 28 F 5.5245 9.6270 125.3298 55.6707 42.0819 174.2206 29 A 5.0214 9.7369 125.0898 50.1347 22.3534 173.9850 30 Y 5.0771 8.4397 123.3533 55.8595 41.5316 174.2349 31 F 4.5887 8.6649 126.3475 56.0265 41.0080 175.0450 32 T 4.3216 8.0339 117.4734 59.7933 71.3873 172.9644 33 G 3.3814 7.6922 111.4722 45.7349 0.0000 173.8855 34 S 5.0050 8.7324 118.3361 57.5279 63.9059 173.9067 35 K 4.7379 8.6293 121.4433 54.6098 33.9664 176.7714 36 D 4.7150 8.6144 122.4405 52.4169 40.8697 176.6807 37 A 3.9782 8.6800 121.1968 55.4921 18.2588 179.1364 38 G 3.6450 8.1050 102.7171 46.9096 0.0000 174.4921 39 G 3.9447 8.4773 108.2850 45.2415 0.0000 173.3425 40 K 4.3548 8.8127 120.1454 55.3434 33.0414 176.0158 41 S 5.0272 8.4740 119.4898 56.6637 64.5057 174.2904 42 W 4.5175 8.3674 120.6516 57.0514 28.8530 176.8308 43 C 4.5305 6.9336 120.0100 53.8759 37.7369 171.7804 44 P 4.1800 0.0000 0.0000 65.7217 31.0581 178.1315 45 D 4.4128 8.0173 116.8177 57.3777 40.7451 179.4436 46 C 4.3200 7.8584 117.1440 59.8020 39.9083 176.1900 47 V 3.5391 7.5479 118.5318 66.1933 31.3048 177.7460 48 Q 4.1073 7.8907 116.1339 58.4513 28.8296 177.8240 49 A 4.2748 8.0560 121.5508 53.9486 18.8128 178.9488 50 E 3.6843 8.1089 118.2476 59.2799 29.6818 177.4246 51 P 4.1664 0.0000 0.0000 65.3454 31.4272 178.8736 52 V 3.5181 7.6088 116.8095 65.8743 31.3638 178.1001 53 V 3.5712 7.5151 116.7618 66.1837 31.7347 177.9955 54 R 3.7121 8.0685 117.9522 58.9517 29.7280 178.6805 55 E 4.0021 8.1788 119.5278 59.0099 29.5525 179.0103 56 G 3.7651 7.9365 105.3654 47.1680 0.0000 175.4549 57 L 2.8246 7.1256 120.4421 56.6478 41.1851 178.9892 58 K 4.1195 7.4917 117.0423 58.2016 32.0754 177.0670 59 H 4.6746 7.6804 114.9704 55.2932 29.6417 175.3034 60 I 3.9929 7.0719 120.5638 60.5473 36.4547 175.9177 61 S 4.4663 8.4998 118.5747 57.4011 64.0401 173.6715 62 E 4.0671 8.6564 122.7442 58.3983 29.6985 177.3929 63 G 3.9401 9.0056 108.9625 45.9715 0.0000 172.7916 64 C 5.0810 7.5530 117.3548 57.9493 31.5447 172.7435 65 V 4.8352 9.0014 120.2489 61.1918 34.3886 173.8946 66 F 5.5783 9.2790 129.5764 56.6508 41.9324 173.6900 67 I 4.6043 8.5318 127.8422 59.6965 39.3708 174.1137 68 Y 4.3721 8.9260 130.0584 56.4692 40.1394 173.6909 69 C 5.1185 8.3419 128.2136 57.5636 34.3289 172.6417 70 Q 4.4929 8.7412 126.7342 55.2776 28.8757 177.5366 71 V 3.4260 8.4866 119.1620 62.8872 32.5063 176.0991 72 G 3.8485 7.4121 105.7382 43.8808 0.0000 172.9151 73 E 4.5680 8.5780 119.3112 55.1911 31.5860 177.5681 74 K 2.4800 7.3342 120.8393 59.0648 31.7404 176.9938 75 P 4.1084 0.0000 0.0000 65.6077 31.3520 177.6940 76 Y 4.1174 7.8563 118.0169 60.3423 38.6603 177.3257 77 W 4.2655 8.1262 128.3217 60.4251 30.8922 177.9030 78 K 3.9381 7.9468 117.5963 57.5108 31.8407 176.8858 79 D 4.1682 7.0575 120.3759 53.4587 41.1457 175.1620 80 P 4.1222 0.0000 0.0000 64.8746 31.4888 176.5795 81 N 4.6204 8.4074 116.1100 52.9091 38.9545 175.5096 82 N 4.3017 7.4265 117.5630 52.6651 39.1733 175.5745 83 D 3.9103 8.5394 121.7997 57.4973 40.8256 179.3957 84 F 4.1111 8.0325 117.7371 60.4804 38.9281 177.7836 85 R 4.0752 8.5612 119.2134 58.6417 29.6807 179.3148 86 K 3.9106 7.6030 117.1930 59.6242 32.7859 178.2932 87 N 4.5705 8.0483 116.4491 54.4278 39.1482 176.4703 88 L 4.6317 7.7356 116.5832 53.2131 42.9612 176.3802 89 K 3.9897 7.8710 116.0924 56.5223 29.1753 175.4258 90 V 4.0213 7.6162 119.5322 62.1911 31.3539 175.8166 91 T 4.6157 8.4692 115.9815 61.1019 69.2483 173.5413 92 A 5.0655 7.8167 122.5967 51.6840 21.9701 176.3761 93 V 4.2302 7.9785 113.0949 58.4922 35.1614 174.1749 94 P 4.8424 0.0000 0.0000 62.5329 33.1723 175.1323 95 T 5.0638 7.9738 116.4856 61.8827 73.2172 172.3726 96 L 5.3550 9.2477 128.3521 53.3943 44.5668 174.6642 97 L 5.2488 9.5016 128.8324 53.2210 45.7795 175.3190 98 K 4.7565 8.8564 127.3307 54.6820 32.8184 174.8520 99 Y 4.2910 8.5496 128.8420 59.4785 39.0108 177.1820 100 G 3.7167 8.3361 114.6087 45.4145 0.0000 172.2473 101 T 4.6786 7.3387 108.5726 58.8189 71.6277 172.0692 102 P 4.3754 0.0000 0.0000 64.7624 32.1238 176.1250 103 Q 4.2143 7.5057 118.9523 56.5258 29.3939 176.0648 104 K 5.2019 8.5037 121.9768 55.6767 35.6678 175.0678 105 L 5.0609 9.2901 122.2589 53.0764 45.1042 175.6746 106 V 4.8232 9.2762 122.2418 61.4459 35.5285 176.0466 107 E 3.6355 9.3617 126.5048 57.4287 29.7803 179.4304 108 S 4.2422 8.9039 127.8561 62.0161 62.9826 175.8530 109 E 4.0674 8.3692 120.4058 59.2522 28.8549 178.3194 110 C 4.4290 8.1400 114.9174 61.0854 28.3752 174.6412 111 L 4.6447 7.6257 119.6361 54.0597 42.0601 176.6753 112 Q 4.3867 7.5527 119.4820 54.1332 29.7010 175.6827 113 A 3.9922 8.5951 128.6228 55.1453 18.3940 178.5849 114 N 4.2115 8.0973 114.8127 56.3193 37.2226 177.3036 115 L 3.9485 7.7957 121.1879 57.1524 41.7831 179.4852 116 V 3.3827 7.7371 118.1704 65.9721 31.4107 177.9052 117 E 3.9411 8.5443 118.7103 59.7242 29.0974 179.1189 118 M 4.0811 7.8411 116.8691 58.2013 32.2634 177.6784 119 L 4.1589 7.2773 119.7991 57.9473 42.3161 178.4589 120 F 4.1827 7.8835 117.5201 59.4517 38.6880 177.5484 121 S 4.1663 8.6925 112.5761 61.4823 62.3762 174.0600 122 E 4.2226 8.8219 128.2534 56.9376 29.4338 175.8581 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 Y 8.13 5.03 0.00 3.11 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 5 E 8.72 4.53 0.00 2.08 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 2.28 2.41 0.00 6 E 9.10 5.43 0.00 2.39 2.03 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 2.39 2.88 0.00 7 V 8.87 4.50 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 0.73 0.00 0.00 0.89 0.00 0.00 8 S 8.86 5.39 0.00 3.96 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 9 V 9.16 4.86 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 0.64 0.00 0.00 1.14 0.00 0.00 10 S 9.30 4.87 0.00 3.89 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 11 G 9.43 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 12 F 8.82 3.95 0.00 2.51 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 13 E 8.29 3.88 0.00 2.20 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 2.41 2.49 0.00 14 E 8.19 3.98 0.00 2.25 2.03 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 2.42 2.40 0.00 15 F 8.06 4.02 0.00 3.33 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 16 H 8.04 3.73 0.00 2.59 3.18 0.00 5.84 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 7.80 3.74 0.00 2.02 2.01 0.00 3.13 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 1.57 1.60 0.00 18 A 7.57 3.92 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.28 3.39 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 -0.25 0.00 0.00 0.58 0.00 0.00 20 E 7.57 3.93 0.00 2.00 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 2.30 2.31 0.00 21 Q 7.65 4.22 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.28 0.00 0.00 0.00 0.00 0.00 2.32 2.56 0.00 22 H 7.64 4.87 0.00 3.15 3.21 0.00 5.86 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.36 4.11 0.00 2.85 2.90 0.00 0.00 6.99 7.98 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 24 G 7.93 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 25 K 7.98 4.72 0.00 1.75 1.73 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.41 7.81 26 T 8.46 4.07 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 1.00 0.00 0.00 27 I 8.37 5.02 1.93 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 1.31 1.04 0.83 0.00 0.00 28 F 9.63 5.52 0.00 3.44 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 29 A 9.74 5.02 1.16 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 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 8.44 5.08 0.00 3.21 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 31 F 8.66 4.59 0.00 2.61 2.43 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 32 T 8.03 4.32 3.39 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 0.63 0.00 0.00 33 G 7.69 3.38 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 0.00 34 S 8.73 5.01 0.00 4.19 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 35 K 8.63 4.74 0.00 1.77 1.75 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.12 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.44 7.81 36 D 8.61 4.72 0.00 2.97 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 37 A 8.68 3.98 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 38 G 8.11 3.65 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 0.00 0.00 0.00 39 G 8.48 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 40 K 8.81 4.35 0.00 2.07 1.79 0.00 1.82 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.44 7.81 41 S 8.47 5.03 0.00 3.78 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 42 W 8.37 4.52 0.00 3.54 3.22 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 43 C 6.93 4.53 0.00 1.31 2.03 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 44 P 0.00 4.18 0.00 2.19 2.09 0.00 3.66 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 45 D 8.02 4.41 0.00 2.71 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 C 7.86 4.32 0.00 2.88 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 47 V 7.55 3.54 2.21 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 0.86 0.00 0.00 0.94 0.00 0.00 48 Q 7.89 4.11 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.51 0.00 49 A 8.06 4.27 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 0.00 0.00 50 E 8.11 3.68 0.00 2.35 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 2.31 2.42 0.00 51 P 0.00 4.17 0.00 2.17 2.05 0.00 3.77 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.12 0.00 52 V 7.61 3.52 2.30 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 1.06 0.00 0.00 0.91 0.00 0.00 53 V 7.52 3.57 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 0.80 0.00 0.00 0.79 0.00 0.00 54 R 8.07 3.71 0.00 1.82 1.82 0.00 3.10 0.00 0.00 3.00 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 55 E 8.18 4.00 0.00 2.18 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 2.28 2.35 0.00 56 G 7.94 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 57 L 7.13 2.82 0.00 1.42 0.86 0.07 -1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.49 4.12 0.00 1.66 1.75 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.48 7.81 59 H 7.68 4.67 0.00 3.24 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.07 3.99 1.61 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 -0.36 0.89 0.00 0.00 61 S 8.50 4.47 0.00 4.08 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 62 E 8.66 4.07 0.00 2.01 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 0.00 2.35 2.36 0.00 63 G 9.01 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 64 C 7.55 5.08 0.00 3.28 3.24 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 65 V 9.00 4.84 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 0.90 0.00 0.00 1.01 0.00 0.00 66 F 9.28 5.58 0.00 3.02 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 67 I 8.53 4.60 1.78 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.52 0.92 0.00 0.00 68 Y 8.93 4.37 0.00 2.98 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 69 C 8.34 5.12 0.00 2.81 2.21 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 70 Q 8.74 4.49 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 71 V 8.49 3.43 1.82 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 -0.23 0.00 0.00 0.81 0.00 0.00 72 G 7.41 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 73 E 8.58 4.57 0.00 1.99 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 2.44 2.33 0.00 74 K 7.33 2.48 0.00 0.79 1.34 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.20 0.90 7.81 75 P 0.00 4.11 0.00 2.04 2.05 0.00 3.53 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 76 Y 7.86 4.12 0.00 3.07 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 77 W 8.13 4.27 0.00 3.58 3.04 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 0.00 0.00 0.00 78 K 7.95 3.94 0.00 1.76 1.72 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.98 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.50 7.81 79 D 7.06 4.17 0.00 2.40 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 0.00 0.00 0.00 0.00 80 P 0.00 4.12 0.00 2.07 2.01 0.00 3.65 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 81 N 8.41 4.62 0.00 2.69 2.76 0.00 0.00 6.98 7.82 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 82 N 7.43 4.30 0.00 2.32 2.23 0.00 0.00 6.96 7.40 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 83 D 8.54 3.91 0.00 2.08 1.54 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 84 F 8.03 4.11 0.00 3.54 3.20 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 0.00 85 R 8.56 4.08 0.00 1.78 1.78 0.00 2.81 0.00 0.00 2.94 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.06 0.00 86 K 7.60 3.91 0.00 1.82 1.80 0.00 1.55 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.37 7.81 87 N 8.05 4.57 0.00 2.56 2.95 0.00 0.00 6.94 8.71 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 88 L 7.74 4.63 0.00 1.80 1.78 1.15 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 89 K 7.87 3.99 0.00 1.90 1.89 0.00 1.77 0.00 0.00 0.61 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.36 7.81 90 V 7.62 4.02 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 0.77 0.00 0.00 0.37 0.00 0.00 91 T 8.47 4.62 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 1.22 0.00 0.00 92 A 7.82 5.07 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 93 V 7.98 4.23 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 -0.36 0.00 0.00 0.35 0.00 0.00 94 P 0.00 4.84 0.00 2.17 2.05 0.00 3.75 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.86 0.00 95 T 7.97 5.06 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 1.33 0.00 0.00 96 L 9.25 5.35 0.00 1.94 1.59 1.33 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 97 L 9.50 5.25 0.00 1.96 1.85 1.06 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 98 K 8.86 4.76 0.00 1.99 1.72 0.00 1.81 0.00 0.00 1.78 0.00 0.00 2.73 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.18 0.72 7.81 99 Y 8.55 4.29 0.00 3.04 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 0.00 100 G 8.34 3.72 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 0.00 101 T 7.34 4.68 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 1.18 0.00 0.00 102 P 0.00 4.38 0.00 2.21 2.21 0.00 3.78 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 1.98 1.98 0.00 103 Q 7.51 4.21 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.71 0.00 0.00 0.00 0.00 0.00 2.43 2.40 0.00 104 K 8.50 5.20 0.00 1.79 1.80 0.00 1.55 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.51 7.81 105 L 9.29 5.06 0.00 1.56 1.58 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 106 V 9.28 4.82 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 1.01 0.00 0.00 0.97 0.00 0.00 107 E 9.36 3.64 0.00 2.18 1.12 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 2.26 2.28 0.00 108 S 8.90 4.24 0.00 3.89 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 0.00 109 E 8.37 4.07 0.00 2.27 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 2.34 2.36 0.00 110 C 8.14 4.43 0.00 3.15 3.07 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 0.00 111 L 7.63 4.64 0.00 1.77 1.70 0.93 0.97 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 0.00 112 Q 7.55 4.39 0.00 2.00 2.04 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 2.58 2.49 0.00 113 A 8.60 3.99 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 0.00 114 N 8.10 4.21 0.00 2.91 3.08 0.00 0.00 6.26 6.67 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 0.00 115 L 7.80 3.95 0.00 1.89 1.72 0.91 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 116 V 7.74 3.38 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 1.03 0.00 0.00 0.94 0.00 0.00 117 E 8.54 3.94 0.00 2.12 1.86 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 2.01 2.38 0.00 118 M 7.84 4.08 0.00 2.01 2.21 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 2.62 2.55 0.00 119 L 7.28 4.16 0.00 1.51 1.44 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 120 F 7.88 4.18 0.00 2.97 2.66 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 0.00 121 S 8.69 4.17 0.00 4.02 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 0.00 122 E 8.82 4.22 0.00 1.96 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 2.33 2.43 0.00