NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5599 8.3049 120.6221 54.7847 34.8630 175.3462 2 R 4.5253 8.5268 118.1649 53.2975 33.8322 173.0920 3 I 4.8311 8.5643 123.9731 59.5454 41.0016 174.0436 4 G 5.0407 8.9522 114.1589 43.6928 0.0000 170.6648 5 H 5.5344 8.9337 120.9053 53.9859 32.8944 172.8018 6 G 4.7752 9.2939 112.0068 43.3966 0.0000 171.3501 7 F 5.4262 8.6774 124.6925 56.4789 42.2758 173.0303 8 D 4.6153 8.3256 124.3237 52.5393 45.1224 173.9523 9 V 4.6001 7.9028 122.3500 61.4720 34.9227 174.1372 10 H 4.9896 8.7877 123.1757 53.8629 32.9286 172.7344 11 A 4.6888 8.4563 123.7017 51.3386 20.0586 176.8349 12 F 4.9823 8.8595 119.9271 57.5484 39.7892 175.5475 13 G 3.9438 9.4053 108.1913 47.4001 0.0000 175.3657 14 G 3.9672 8.0758 111.2661 44.9436 0.0000 172.2044 15 E 4.7719 8.3137 117.6418 54.7188 32.3137 176.6076 16 G 4.2024 8.6286 109.2459 44.8932 0.0000 170.9274 17 P 4.9803 0.0000 0.0000 62.0730 33.0957 175.4921 18 I 4.4403 8.4180 113.5320 59.7233 40.4203 174.4817 19 I 4.9052 8.1903 123.1739 59.4498 40.5103 174.2630 20 I 4.7388 8.5121 130.7002 60.3693 39.1889 176.0348 21 G 3.7427 10.0520 113.7257 46.5729 0.0000 174.8507 22 G 3.9155 9.0110 107.3628 44.6852 0.0000 174.0101 23 V 4.5206 7.5979 120.7841 60.9615 33.5479 174.9437 24 R 4.5935 8.7803 127.6153 56.2572 30.8768 175.9038 25 I 4.5171 8.9588 125.9854 58.3091 39.9732 173.4817 26 P 4.7438 0.0000 0.0000 63.3612 31.6220 175.0733 27 Y 4.9334 8.4004 123.1103 56.1929 41.8964 175.2481 28 E 3.7445 7.8085 123.5100 58.3884 29.7995 177.3524 29 K 4.7957 6.8541 115.7041 54.4263 35.8497 176.3231 30 G 4.1846 8.3296 109.4931 44.6618 0.0000 172.1296 31 L 5.0973 8.2891 119.6269 52.7964 42.9984 176.6966 32 L 4.2704 9.1095 127.8352 55.0260 42.1746 175.8946 33 A 4.5412 8.1335 127.2504 51.8587 21.6934 175.4232 34 H 4.5213 8.8305 116.0266 56.3724 29.4492 175.6964 35 S 5.0274 7.4804 115.2934 56.6887 65.1399 173.1939 36 D 4.3838 8.6865 118.2071 54.4865 39.5671 176.2992 37 G 3.4931 7.6261 108.2352 47.1974 0.0000 174.9863 38 D 4.9560 7.6345 122.1942 51.7470 39.6214 175.6698 39 V 3.8158 8.2556 119.7196 63.1574 31.8433 177.4510 40 A 3.9243 7.8269 119.6717 55.3831 18.2511 179.6339 41 L 3.9987 8.0997 117.3912 58.0373 41.6095 179.5352 42 H 4.2744 8.4093 116.3222 58.8205 28.6148 177.7266 43 A 3.9658 8.1919 122.7564 54.9568 18.1961 179.4570 44 L 3.8702 7.9995 118.9382 58.4792 42.1128 179.3282 45 T 3.9165 8.2157 115.9644 66.8413 68.4270 176.3236 46 D 4.3811 8.3429 120.5859 57.3227 40.8464 178.7490 47 A 4.1540 7.9338 120.7656 55.1264 18.2939 179.6010 48 L 3.9842 8.0702 117.4757 58.0062 41.7930 179.7480 49 L 4.1151 8.4962 119.5595 57.6086 41.6086 179.8339 50 G 3.6159 8.6486 106.1170 47.7234 0.0000 175.7174 51 A 4.5793 8.1574 122.8065 53.8092 18.5571 178.4229 52 A 3.6236 7.3403 116.5437 50.9412 19.3780 176.7583 53 A 3.7025 7.4286 118.7808 53.4602 16.6996 177.8598 54 L 4.6314 8.5764 116.5555 55.6483 43.5570 178.2953 55 G 3.9353 9.4885 113.7712 45.6165 0.0000 176.6335 56 D 4.6227 8.4549 127.4988 50.8058 42.2917 175.3570 57 I 3.8612 9.1973 118.5634 64.3270 37.4121 178.1545 58 G 3.6565 8.0674 105.5981 47.3640 0.0000 175.2913 59 K 4.0763 8.5155 121.4948 58.8492 32.2263 178.4536 60 L 3.9855 7.3435 118.0567 55.3466 43.0578 177.0757 61 F 5.0085 7.4633 116.6280 54.8991 39.2042 172.7432 62 P 4.5951 0.0000 0.0000 62.0722 32.6002 177.7223 63 D 4.7512 8.5958 117.7279 54.5406 39.1657 177.1777 64 T 4.0105 7.9134 115.0779 64.9390 67.7144 174.3715 65 D 4.3931 7.7207 122.0811 54.1009 40.9841 174.2386 66 P 4.4707 0.0000 0.0000 63.9435 32.2577 178.0755 67 A 3.7973 7.8580 121.2687 54.9113 17.9164 178.5589 68 F 4.6716 8.0732 112.4001 56.9730 39.5218 174.8183 69 K 4.3141 7.6926 123.3908 57.6899 31.7993 177.1890 70 G 3.9067 9.0280 114.8160 45.0589 0.0000 172.7736 71 A 4.1834 7.2302 121.9219 51.3783 19.3580 178.0941 72 D 4.7060 8.3265 121.4343 53.1803 41.7087 177.9169 73 S 4.2023 9.2408 116.4709 61.3606 62.6464 177.3620 74 R 3.8984 7.9302 120.8902 59.1038 29.8574 178.5521 75 E 4.0110 8.9837 118.8468 59.4666 29.4977 179.4608 76 L 3.4105 7.7230 118.7729 57.2782 41.5320 179.3062 77 L 4.0201 8.1969 120.6220 58.3760 42.0824 179.3272 78 R 4.1458 8.2099 118.0727 59.2151 29.9716 178.7578 79 E 4.0256 8.4083 119.0406 59.0679 29.6801 178.6031 80 A 3.9730 8.2769 120.8554 55.1423 18.4766 179.3597 81 W 4.5261 8.7714 127.2454 60.6935 30.8108 178.1195 82 R 3.7117 8.2118 118.7234 59.5550 29.3649 178.8358 83 R 3.9796 7.8135 116.5065 58.8805 30.2039 178.9174 84 I 3.9285 7.7898 119.9509 64.5398 37.1563 178.3963 85 Q 4.2110 7.9283 120.0578 58.2716 28.1745 178.8061 86 A 3.9443 7.5280 120.5600 54.8399 18.4510 179.3151 87 K 4.0958 7.5197 115.3418 57.1969 32.2258 177.9632 88 G 3.9282 7.4686 107.6653 45.1337 0.0000 172.8729 89 Y 5.3508 7.8747 117.2017 56.0706 40.1225 174.7328 90 T 5.1634 8.4872 112.0054 59.5718 72.9118 172.2347 91 L 4.2336 8.9403 124.1882 55.2853 42.3085 175.3580 92 G 3.9701 9.3361 115.9420 46.9783 0.0000 173.1900 93 N 5.2638 7.8275 113.5370 51.2104 41.5724 173.8491 94 V 4.8890 8.8490 112.6671 59.5920 36.0790 174.3210 95 D 5.1719 9.0517 123.0343 52.4983 44.2848 174.2667 96 V 4.7608 9.0756 126.1572 61.3767 34.4526 174.2397 97 T 4.8768 9.3616 125.2715 61.7821 70.8652 173.2167 98 I 4.1738 9.0863 129.2823 60.8950 38.7455 175.4417 99 I 4.8271 8.7032 128.8028 60.0676 38.7141 174.9268 100 A 4.7552 8.6130 128.8939 50.7909 21.8757 176.1289 101 Q 4.0196 9.1707 123.5586 57.5876 29.8227 176.2632 102 A 4.7807 7.5151 120.9581 53.1176 20.4732 173.8112 103 P 3.8468 0.0000 0.0000 60.5182 31.6833 175.6117 104 K 3.8487 8.7197 124.5114 57.6329 32.5002 176.6333 105 M 4.3725 8.5823 125.0271 56.5602 32.0155 178.0025 106 L 3.9121 7.8888 120.6527 58.0006 41.9797 177.2599 107 P 4.2797 0.0000 0.0000 64.8526 31.6848 177.2310 108 H 4.7265 8.0256 113.7945 56.1443 29.3236 177.0184 109 I 3.7097 7.3647 121.7205 63.7626 36.9222 176.1443 110 P 4.1586 0.0000 0.0000 65.8874 31.1105 178.3955 111 Q 3.6756 7.8676 117.5212 58.9172 28.9277 177.6887 112 M 4.3357 7.6291 120.9753 57.9648 31.9559 178.9215 113 R 3.8829 8.1046 118.1656 59.0322 30.1872 179.2764 114 V 3.5138 7.4490 117.5505 66.0797 31.5320 178.1145 115 F 4.6074 8.0476 117.5439 60.7637 38.7428 177.8214 116 I 3.6927 8.1066 119.2592 64.3858 36.8714 178.3853 117 A 3.9472 8.2465 121.7873 55.0055 18.0002 179.5829 118 E 3.9222 8.3627 117.1429 59.9020 29.4145 179.4255 119 D 4.4262 8.1607 117.3405 56.4385 40.9505 177.7648 120 L 3.7847 7.7980 116.9045 52.8267 42.5187 176.2910 121 G 4.0378 7.7480 107.5087 46.9814 0.0000 172.2950 122 C 4.8530 7.9799 112.3076 55.9351 33.2530 173.0399 123 H 4.6627 8.2182 115.6663 55.2208 29.3179 176.7148 124 M 4.0623 8.6327 121.3728 58.5955 31.9401 178.2959 125 D 4.4358 8.0368 116.3674 56.2804 41.7133 176.0439 126 D 4.6438 8.0946 117.8478 54.5464 41.2433 175.4581 127 V 4.6840 7.5328 119.6548 60.9853 33.9161 174.0455 128 N 5.0542 9.1011 126.9358 51.7187 41.5771 173.2131 129 V 5.0294 8.3750 125.0240 61.0155 34.6013 174.2883 130 K 4.8657 9.3156 125.6494 55.2867 36.5928 174.6246 131 A 5.3322 8.3528 120.8473 50.9256 22.4287 175.5123 132 T 4.7024 8.6630 114.7133 62.6399 73.5698 173.9733 133 T 4.8281 8.4891 115.8293 60.8159 71.1563 174.1389 134 T 4.3995 8.3279 108.7706 61.3553 69.6304 174.3458 135 E 3.9387 8.5809 117.6248 58.5383 27.3087 175.6809 136 K 4.3795 8.4477 112.3552 56.4962 31.2523 176.4276 137 L 4.4253 7.6960 119.7246 54.2285 43.3736 177.9969 138 G 4.0583 8.5101 110.9856 44.8957 0.0000 174.0485 139 F 4.5068 8.4794 113.1116 59.9761 37.7734 177.5727 140 T 4.1435 6.2847 111.4888 64.2141 68.9022 176.8240 141 G 3.6808 7.8173 108.6514 46.5591 0.0000 174.8338 142 R 4.5299 7.8071 118.1303 55.3336 30.3743 176.4598 143 G 4.1096 7.8093 106.2534 46.9592 0.0000 174.9737 144 E 4.4971 8.6058 121.1770 57.3126 29.9609 176.0382 145 G 4.0240 7.3981 104.1436 45.8805 0.0000 171.8499 146 I 4.9502 7.7288 119.9714 59.3259 39.7944 175.6045 147 A 4.9522 8.6298 128.5447 50.8667 21.8120 175.2626 148 C 5.0455 8.6472 119.2715 57.8240 35.4912 172.4356 149 E 5.3817 9.3455 126.3974 54.5899 32.5986 174.3807 150 A 5.1676 8.9630 126.3190 50.6522 23.1251 175.4510 151 V 5.0326 8.8061 114.4532 59.5518 35.4304 174.7863 152 A 5.0341 8.8371 124.1915 50.1433 23.0484 174.6617 153 L 5.0907 8.9656 123.3069 53.4028 44.5992 175.5753 154 L 5.2626 9.0600 126.4993 53.3855 44.8890 175.4622 155 I 4.7999 8.5075 120.9789 60.3388 40.7651 176.4345 156 K 4.1989 8.7576 123.0767 57.1510 31.9642 175.6558 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 8.30 4.56 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 2 R 8.53 4.53 0.00 1.64 1.82 0.00 3.38 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.95 0.00 3 I 8.56 4.83 1.88 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 1.29 1.31 0.91 0.00 0.00 4 G 8.95 5.04 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 0.00 0.00 0.00 5 H 8.93 5.53 0.00 3.14 3.16 0.00 5.67 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 6 G 9.29 4.78 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 0.00 0.00 0.00 7 F 8.68 5.43 0.00 3.01 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 8 D 8.33 4.62 0.00 2.67 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 9 V 7.90 4.60 1.94 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 0.76 0.00 0.00 0.90 0.00 0.00 10 H 8.79 4.99 0.00 2.98 3.01 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 A 8.46 4.69 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 12 F 8.86 4.98 0.00 3.08 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 13 G 9.41 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 14 G 8.08 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 15 E 8.31 4.77 0.00 1.93 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 2.30 2.29 0.00 16 G 8.63 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 0.00 0.00 0.00 0.00 17 P 0.00 4.98 0.00 2.16 2.11 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 18 I 8.42 4.44 1.93 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.86 1.20 0.00 0.00 19 I 8.19 4.91 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.89 0.00 0.00 20 I 8.51 4.74 1.85 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 1.20 0.91 0.88 0.00 0.00 21 G 10.05 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.01 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 0.00 0.00 0.00 23 V 7.60 4.52 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 1.09 0.00 0.00 1.10 0.00 0.00 24 R 8.78 4.59 0.00 1.77 1.89 0.00 3.21 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 25 I 8.96 4.52 1.80 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.97 0.77 0.00 0.00 26 P 0.00 4.74 0.00 2.11 2.10 0.00 3.77 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 2.03 2.00 0.00 27 Y 8.40 4.93 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 28 E 7.81 3.74 0.00 1.29 1.69 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 2.06 2.15 0.00 29 K 6.85 4.80 0.00 1.30 1.72 0.00 1.39 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.21 1.07 7.81 30 G 8.33 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 0.00 0.00 0.00 31 L 8.29 5.10 0.00 1.53 1.56 0.92 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 32 L 9.11 4.27 0.00 1.67 1.70 0.92 1.03 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 33 A 8.13 4.54 1.11 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 0.00 0.00 34 H 8.83 4.52 0.00 3.17 3.36 0.00 5.67 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.48 5.03 0.00 3.96 3.88 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 36 D 8.69 4.38 0.00 2.76 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 37 G 7.63 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.63 4.96 0.00 2.79 2.39 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 39 V 8.26 3.82 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 1.03 0.00 0.00 0.85 0.00 0.00 40 A 7.83 3.92 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 41 L 8.10 4.00 0.00 1.66 1.71 0.93 1.18 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 42 H 8.41 4.27 0.00 3.28 3.31 0.00 5.64 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 43 A 8.19 3.97 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 44 L 8.00 3.87 0.00 1.84 1.88 0.85 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.22 3.92 4.46 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 1.32 0.00 0.00 46 D 8.34 4.38 0.00 2.92 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.93 4.15 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 48 L 8.07 3.98 0.00 1.94 1.88 0.86 0.33 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 49 L 8.50 4.12 0.00 1.70 1.70 0.92 0.85 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 50 G 8.65 3.62 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 0.00 0.00 0.00 51 A 8.16 4.58 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 52 A 7.34 3.62 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 53 A 7.43 3.70 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 54 L 8.58 4.63 0.00 1.68 1.63 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 55 G 9.49 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 56 D 8.45 4.62 0.00 3.06 2.77 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 57 I 9.20 3.86 2.04 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 1.63 1.66 0.94 0.00 0.00 58 G 8.07 3.66 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 59 K 8.52 4.08 0.00 1.82 1.89 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.44 7.81 60 L 7.34 3.99 0.00 0.97 0.13 0.51 0.49 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 61 F 7.46 5.01 0.00 3.07 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 62 P 0.00 4.60 0.00 2.24 2.18 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.95 0.00 63 D 8.60 4.75 0.00 2.80 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 64 T 7.91 4.01 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 1.24 0.00 0.00 65 D 7.72 4.39 0.00 2.78 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 66 P 0.00 4.47 0.00 2.25 2.28 0.00 3.79 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 67 A 7.86 3.80 1.14 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 0.00 0.00 68 F 8.07 4.67 0.00 3.21 2.77 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 69 K 7.69 4.31 0.00 1.74 1.74 0.00 1.83 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.55 7.81 70 G 9.03 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 71 A 7.23 4.18 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 72 D 8.33 4.71 0.00 3.05 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 73 S 9.24 4.20 0.00 3.81 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 74 R 7.93 3.90 0.00 1.95 1.98 0.00 2.72 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 75 E 8.98 4.01 0.00 2.18 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 2.36 2.49 0.00 76 L 7.72 3.41 0.00 1.71 1.28 0.74 -0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.20 4.02 0.00 1.87 1.90 0.92 1.21 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 78 R 8.21 4.15 0.00 1.98 2.08 0.00 3.25 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 79 E 8.41 4.03 0.00 2.24 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 1.93 2.37 0.00 80 A 8.28 3.97 1.53 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 0.00 0.00 81 W 8.77 4.53 0.00 3.44 3.34 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 82 R 8.21 3.71 0.00 2.20 2.15 0.00 3.18 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 83 R 7.81 3.98 0.00 1.92 1.94 0.00 3.11 0.00 0.00 3.17 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.88 0.00 84 I 7.79 3.93 1.95 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 0.95 0.00 0.00 85 Q 7.93 4.21 0.00 1.81 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 1.83 1.16 0.00 86 A 7.53 3.94 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 87 K 7.52 4.10 0.00 2.03 1.79 0.00 1.74 0.00 0.00 1.91 0.00 0.00 3.18 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.63 7.81 88 G 7.47 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 89 Y 7.87 5.35 0.00 2.95 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 90 T 8.49 5.16 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 1.26 0.00 0.00 91 L 8.94 4.23 0.00 1.62 1.66 0.66 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 92 G 9.34 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 93 N 7.83 5.26 0.00 2.84 2.88 0.00 0.00 5.73 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 94 V 8.85 4.89 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 0.57 0.00 0.00 0.85 0.00 0.00 95 D 9.05 5.17 0.00 2.73 2.46 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 96 V 9.08 4.76 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 0.98 0.00 0.00 0.90 0.00 0.00 97 T 9.36 4.88 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 1.22 0.00 0.00 98 I 9.09 4.17 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.55 0.87 0.00 0.00 99 I 8.70 4.83 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.03 0.85 0.00 0.00 100 A 8.61 4.76 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 0.00 101 Q 9.17 4.02 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.68 0.00 0.00 0.00 0.00 0.00 2.54 2.45 0.00 102 A 7.52 4.78 1.13 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 0.00 0.00 0.00 103 P 0.00 3.85 0.00 1.92 1.85 0.00 3.38 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.16 0.00 104 K 8.72 3.85 0.00 1.73 1.77 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.48 7.81 105 M 8.58 4.37 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 106 L 7.89 3.91 0.00 1.66 1.65 0.90 1.00 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 0.00 107 P 0.00 4.28 0.00 1.68 1.97 0.00 3.58 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 1.93 2.10 0.00 108 H 8.03 4.73 0.00 3.15 3.31 0.00 5.62 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 0.00 109 I 7.36 3.71 1.98 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 1.51 0.76 0.92 0.00 0.00 110 P 0.00 4.16 0.00 2.08 2.05 0.00 3.61 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 2.06 2.11 0.00 111 Q 7.87 3.68 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.89 0.00 0.00 0.00 0.00 0.00 2.10 1.36 0.00 112 M 7.63 4.34 0.00 2.14 2.25 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 2.86 2.64 0.00 113 R 8.10 3.88 0.00 1.96 1.94 0.00 3.10 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 114 V 7.45 3.51 1.90 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 0.97 0.00 0.00 0.88 0.00 0.00 115 F 8.05 4.61 0.00 3.21 2.93 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 0.00 0.00 0.00 116 I 8.11 3.69 1.91 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 1.44 0.77 0.82 0.00 0.00 117 A 8.25 3.95 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 0.00 118 E 8.36 3.92 0.00 2.40 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 2.39 2.57 0.00 119 D 8.16 4.43 0.00 2.75 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 0.00 120 L 7.80 3.78 0.00 1.21 0.69 0.51 0.08 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 0.00 121 G 7.75 4.04 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 0.00 0.00 0.00 122 C 7.98 4.85 0.00 2.99 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 0.00 123 H 8.22 4.66 0.00 3.29 3.25 0.00 5.83 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 M 8.63 4.06 0.00 2.03 2.13 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 2.68 2.47 0.00 125 D 8.04 4.44 0.00 2.63 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 0.00 126 D 8.09 4.64 0.00 2.91 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 0.00 127 V 7.53 4.68 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 0.70 0.00 0.00 0.86 0.00 0.00 128 N 9.10 5.05 0.00 2.83 2.76 0.00 0.00 6.14 7.54 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 0.00 129 V 8.38 5.03 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 0.88 0.00 0.00 0.91 0.00 0.00 130 K 9.32 4.87 0.00 1.77 1.83 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.37 7.81 131 A 8.35 5.33 1.18 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 0.00 0.00 132 T 8.66 4.70 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 1.20 0.00 0.00 133 T 8.49 4.83 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 134 T 8.33 4.40 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 1.12 0.00 0.00 135 E 8.58 3.94 0.00 2.05 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 2.26 2.25 0.00 136 K 8.45 4.38 0.00 1.92 1.94 0.00 1.66 0.00 0.00 1.57 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.36 7.81 137 L 7.70 4.43 0.00 1.80 1.55 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.51 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 0.00 0.00 0.00 139 F 8.48 4.51 0.00 3.43 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 0.00 140 T 6.28 4.14 4.08 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 0.80 0.00 0.00 141 G 7.82 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 0.00 0.00 0.00 142 R 7.81 4.53 0.00 1.92 2.04 0.00 3.32 0.00 0.00 3.27 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.87 0.00 143 G 7.81 4.11 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 0.00 0.00 0.00 144 E 8.61 4.50 0.00 2.44 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 2.40 2.39 0.00 145 G 7.40 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 0.00 0.00 0.00 146 I 7.73 4.95 1.70 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 0.57 0.76 0.88 0.00 0.00 147 A 8.63 4.95 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 0.00 148 C 8.65 5.05 0.00 2.83 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 0.00 149 E 9.35 5.38 0.00 2.22 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 0.00 2.30 2.55 0.00 150 A 8.96 5.17 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 0.00 151 V 8.81 5.03 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 0.94 0.00 0.00 152 A 8.84 5.03 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 0.00 153 L 8.97 5.09 0.00 1.74 1.52 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 154 L 9.06 5.26 0.00 1.50 1.63 0.54 0.81 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 0.00 155 I 8.51 4.80 1.97 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 1.29 1.18 0.97 0.00 0.00 156 K 8.76 4.20 0.00 2.01 1.75 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.37 7.81