NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 M 4.4419 8.3049 120.3198 54.7954 33.4863 175.0428 16 D 4.3342 8.6315 120.7054 55.7734 40.8643 175.3504 17 R 4.5906 8.0969 113.2986 54.7126 33.0937 174.0766 18 S 4.1980 8.3448 114.6759 58.3593 63.2428 174.4214 19 L 4.2869 8.4827 127.5386 54.7887 42.0241 178.6278 20 R 4.1735 9.4232 126.2200 57.6409 31.3058 172.3516 21 P 4.4679 0.0000 0.0000 66.1697 31.3076 178.7426 22 E 3.9819 8.2460 116.7594 59.6238 29.4140 178.9552 23 E 3.9874 8.2321 117.6087 59.7033 29.6162 179.1002 24 I 3.8157 7.9217 119.6992 64.8962 37.2092 178.1461 25 E 4.0227 8.4785 119.0404 59.5268 29.2890 179.1381 26 E 4.0422 8.6282 118.9780 59.6675 29.5589 179.5877 27 L 4.2835 8.7603 119.2069 57.7997 41.7468 179.5361 28 R 4.0485 8.9302 118.4991 59.5934 29.9943 178.1884 29 E 3.9124 8.7371 118.7629 59.1660 29.5057 178.6357 30 A 4.1160 8.3200 120.4717 55.4905 18.6041 179.4515 31 F 3.3303 8.6658 121.4509 61.6688 39.2623 178.1077 32 R 3.6962 7.9710 120.3044 61.3950 29.1222 180.3649 33 E 4.0738 8.1328 120.4660 58.9641 29.6200 178.3116 34 F 4.2637 8.9579 121.7134 61.8493 39.1881 176.8349 35 D 3.7753 7.8999 118.5418 57.2295 40.9369 178.5815 36 K 4.0340 7.3505 123.5295 59.4454 31.8010 182.9808 37 D 4.8269 7.4825 118.5036 55.7599 41.0693 176.2657 38 K 3.8277 7.4191 120.0560 56.7795 31.1591 175.5974 39 D 4.4724 7.8435 127.3822 51.9554 39.4443 174.6231 40 G 3.9078 7.6541 115.0597 43.7765 0.0000 173.0000 41 Y 4.8403 7.2184 116.5931 54.2186 41.1412 174.2422 42 I 4.4894 8.1626 118.1180 58.6704 41.1835 174.8976 43 N 5.0504 8.2506 123.9478 51.6294 40.7718 176.0780 44 C 4.2579 8.5956 120.4206 63.5710 28.1965 176.6734 45 R 3.9548 8.1442 121.6968 61.8902 28.8287 179.8622 46 D 4.5908 8.4731 119.1041 57.1992 40.8893 178.8223 47 L 4.1954 8.3961 120.9908 58.2448 42.2343 178.8857 48 G 3.8403 8.6478 105.8239 48.1698 0.0000 174.9554 49 N 4.3937 8.5822 120.0817 56.1184 38.8997 177.3081 50 C 4.7661 8.1418 116.1747 60.4661 29.7579 175.6344 51 M 4.2605 8.0585 121.8078 58.4562 31.5377 178.7043 52 R 4.4556 7.9429 119.2137 58.9537 29.9447 179.1337 53 T 4.0412 7.8032 115.3223 66.4434 68.5692 174.7433 54 M 4.4071 7.7188 115.7295 54.6948 31.5995 175.9385 55 G 3.8067 8.4050 106.1378 47.4473 0.0000 173.7885 56 Y 4.5743 8.2544 118.8159 55.5855 41.8739 173.6426 57 M 4.4353 7.8441 126.7234 53.1405 32.6766 174.0353 58 P 4.9543 0.0000 0.0000 61.8924 33.6076 175.5432 59 T 4.5868 9.0236 109.8159 60.0737 72.0366 175.2895 60 E 3.9531 8.6615 122.6004 59.7276 29.5502 178.6318 61 M 3.9536 8.0698 117.8006 58.7560 32.2566 177.5158 62 E 4.2142 8.0073 119.2221 58.9560 29.7216 179.5488 63 L 3.8686 8.0823 118.5443 57.9763 41.7449 179.8209 64 I 3.8129 7.7258 119.6210 64.2068 36.6396 178.2117 65 E 3.9399 8.3157 119.4139 59.4211 29.3573 179.2655 66 L 4.0060 8.6061 119.8646 58.0507 41.8178 179.9626 67 S 4.3929 8.5255 114.2768 61.4660 62.7429 176.6284 68 Q 4.0064 8.0933 121.6699 58.7287 28.5218 178.1202 69 Q 3.9702 8.3090 120.7575 59.2481 29.0345 178.3682 70 I 3.7851 8.1993 121.0473 64.8026 37.1846 178.3590 71 N 4.4618 8.5116 117.1375 55.5123 36.8372 176.4588 72 M 4.4094 8.1279 118.3975 57.4934 33.1689 177.8114 73 N 4.6560 8.1323 114.5076 55.5788 39.0759 175.9733 74 L 4.5022 8.2755 116.2552 53.5851 42.9679 176.6174 75 G 4.4657 8.5469 106.5851 46.5024 0.0000 173.6940 76 G 4.3010 8.7119 110.5201 46.9423 0.0000 174.4331 77 H 4.3091 7.3673 119.0975 55.6296 27.9316 175.6609 78 V 4.6666 8.4553 124.2683 58.7813 32.2133 175.2233 79 D 4.8938 8.6007 126.9990 52.4177 41.5509 176.5960 80 F 3.0788 8.5628 120.9808 61.2321 39.1486 176.3423 81 D 4.1709 8.1476 117.8167 57.6206 40.3544 178.2693 82 D 4.3357 9.4998 120.0303 57.6954 40.9061 178.8003 83 F 3.9498 8.2578 120.7927 61.3111 39.2136 177.4200 84 V 3.1999 7.6466 117.8550 65.8113 31.0896 177.5149 85 E 3.8108 7.6903 116.9595 59.6107 29.4245 179.4058 86 L 3.9512 7.5575 117.0035 58.0903 42.0698 179.0574 87 M 3.9002 8.0817 118.7026 57.2801 31.9533 178.6365 88 G 3.7366 7.9438 106.5431 47.7822 0.0000 173.7475 89 P 4.2880 0.0000 0.0000 64.9236 31.6559 178.6242 90 K 3.7541 7.5123 116.8423 59.1152 31.5185 178.9943 91 L 4.2423 7.5856 121.9319 57.6814 41.8223 179.0383 92 L 4.0780 8.1961 117.9446 57.0737 41.5793 178.2806 93 A 4.4671 7.4421 118.3397 51.1872 18.8997 176.9648 94 E 4.1286 7.6528 119.7641 56.4804 30.2318 177.1379 95 T 4.4243 8.2557 114.3300 60.4526 71.7056 175.2988 96 A 3.9811 8.4110 123.6849 55.6805 17.9711 179.8735 97 D 4.3070 7.4605 116.3162 56.5886 39.4739 178.3099 98 M 4.1959 7.7998 118.7665 57.7369 32.4353 177.8597 99 I 3.8874 7.3703 119.2119 62.7436 37.6626 177.2968 100 G 4.0319 7.6291 104.0167 45.0877 0.0000 174.6921 101 V 3.7586 8.4754 119.6976 66.6551 31.5097 178.8738 102 K 4.0715 8.0381 122.9945 59.8060 31.5631 180.6035 103 E 4.2740 8.1926 118.9542 59.2973 29.4976 179.2467 104 L 4.1890 7.9343 119.3669 57.7008 41.6537 179.0070 105 R 4.0752 8.5230 119.0403 59.9632 29.9115 177.7501 106 D 4.4498 8.4813 118.0423 57.5824 41.0713 178.7698 107 A 4.2234 8.3623 120.9185 55.4609 18.4616 179.3340 108 F 2.9435 8.9967 121.6252 61.8031 39.1837 177.8338 109 R 4.0044 8.3068 119.2704 61.9306 29.2075 180.1442 110 E 4.3140 8.1183 117.8339 58.7636 29.4377 179.0623 111 F 4.2572 7.7131 116.1113 59.0876 40.6731 176.5986 112 D 4.6877 7.5418 120.0379 52.7640 38.4047 176.4760 113 T 3.8262 7.8144 113.6356 64.1016 69.3366 176.2145 114 N 4.3987 8.2921 116.9241 52.8318 37.4629 175.4062 115 G 3.9570 8.0558 107.1395 46.7675 0.0000 173.8026 116 D 4.5754 9.6981 117.9503 52.8440 39.1875 176.8226 117 G 4.1378 8.5657 106.2829 46.4574 0.0000 173.2857 118 E 4.8295 8.8508 119.1844 54.3450 33.1200 174.9291 119 I 4.5302 9.0005 128.5269 59.7559 38.4456 175.6853 120 S 4.7155 8.8986 123.0379 57.8723 64.0790 175.6324 121 T 3.9477 8.6996 111.7504 65.0721 68.1828 176.3407 122 S 4.2665 8.0247 116.0345 60.4290 63.5541 176.1073 123 E 3.9213 8.6018 123.0501 59.1986 29.1658 178.8242 124 L 4.1427 8.5115 123.1916 58.8942 42.1781 179.6813 125 R 3.9721 7.8871 122.9751 62.1387 29.2477 180.5549 126 E 4.0645 7.8834 118.8702 61.0817 29.5694 181.1035 127 A 3.8298 7.6467 121.3652 55.0990 18.2738 179.2137 128 M 3.9596 8.3822 119.2516 59.6325 31.9261 178.9825 129 R 4.9056 8.5649 123.0626 59.9964 29.3500 180.5640 130 K 4.1931 7.3117 121.4533 59.5904 32.3761 184.2079 131 L 4.2752 7.8118 119.3393 57.9134 41.7724 179.4017 132 L 4.2065 8.1255 117.4395 55.1987 41.6946 177.7091 133 G 3.8138 8.6722 106.3521 45.9890 0.0000 172.5519 134 H 4.5403 7.4049 114.8165 54.8931 30.7193 173.5118 135 Q 4.4321 8.6550 118.8655 54.9337 28.5556 175.6112 136 V 4.5301 7.9904 120.8048 60.0001 34.1923 176.2386 137 G 3.8646 8.6961 111.3720 44.8070 0.0000 173.8815 138 H 4.1702 9.1589 123.9227 59.8156 28.2055 178.5079 139 R 4.4037 7.8449 124.6203 60.3206 29.2691 180.1862 140 D 4.6077 7.9678 118.6416 57.1993 40.9781 178.7794 141 I 3.7965 8.0062 120.5646 64.3266 36.9977 178.3296 142 E 4.0024 8.0540 119.5236 59.1773 29.2365 178.9058 143 E 3.9224 7.9508 119.5165 59.3556 29.4996 178.9587 144 I 3.6977 7.3979 118.3730 64.4313 37.4399 177.9122 145 I 3.8625 7.7174 120.6438 64.5171 36.9308 178.1069 146 R 3.8700 7.8446 118.9149 59.8717 29.7334 178.1951 147 D 4.4621 8.0632 116.8203 56.5492 40.8006 177.5715 148 V 4.1326 7.1761 117.0537 63.5616 33.4377 175.3867 149 D 4.6774 8.3669 120.3382 53.9930 41.4423 175.5370 150 L 4.2386 10.1054 128.8691 57.5250 42.0430 177.9256 151 N 4.7241 8.4564 113.1479 52.2745 37.6191 174.9117 152 G 4.0426 7.6488 105.2293 47.6870 0.0000 174.0511 153 D 4.7514 8.1595 114.2182 52.4442 39.8428 178.6855 154 G 3.9903 8.5458 111.3237 46.6060 0.0000 174.3700 155 R 4.8973 7.7293 117.9532 54.9188 33.6331 180.5519 156 V 4.7088 8.6311 117.2453 62.4688 34.0409 174.8559 157 D 5.2287 9.3062 127.7278 51.7412 42.2923 177.0973 158 F 3.2086 8.5833 119.6667 61.4782 38.9219 176.7186 159 E 3.8182 8.3628 117.5218 59.6173 29.1305 179.0342 160 E 3.9418 8.4210 116.5060 59.7188 29.9455 178.9421 161 F 4.2247 8.6071 120.7543 61.2967 39.3215 177.4061 162 V 3.3208 7.6798 117.8587 65.7397 31.1695 178.2858 163 R 3.8383 7.8872 118.1165 59.3410 29.6519 178.6856 164 M 4.0972 7.4321 117.1733 57.7996 32.0732 177.6283 165 M 4.4593 7.2276 117.7241 54.0963 33.1582 175.3509 166 S 4.9707 7.5873 114.5790 56.6511 66.5924 174.6009 167 R 4.1080 8.4624 120.9078 56.5964 29.9307 176.5768 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 15 M 8.30 4.44 0.00 1.98 2.20 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 16 D 8.63 4.33 0.00 2.73 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 17 R 8.10 4.59 0.00 1.86 1.87 0.00 3.04 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.64 0.00 18 S 8.34 4.20 0.00 3.88 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 19 L 8.48 4.29 0.00 1.63 1.63 0.86 0.87 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 20 R 9.42 4.17 0.00 1.77 1.81 0.00 3.28 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 21 P 0.00 4.47 0.00 2.16 2.15 0.00 3.59 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 22 E 8.25 3.98 0.00 2.09 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 0.00 2.44 2.51 0.00 23 E 8.23 3.99 0.00 2.18 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 2.45 2.45 0.00 24 I 7.92 3.82 2.11 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 1.61 0.86 1.13 0.00 0.00 25 E 8.48 4.02 0.00 2.23 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 2.53 2.52 0.00 26 E 8.63 4.04 0.00 2.28 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 2.40 2.43 0.00 27 L 8.76 4.28 0.00 2.15 1.98 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 28 R 8.93 4.05 0.00 1.95 1.93 0.00 2.58 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 29 E 8.74 3.91 0.00 2.22 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 0.00 2.37 2.38 0.00 30 A 8.32 4.12 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 0.00 0.00 0.00 0.00 0.00 31 F 8.67 3.33 0.00 2.70 3.23 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 32 R 7.97 3.70 0.00 1.88 1.92 0.00 3.33 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 33 E 8.13 4.07 0.00 2.08 2.23 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 2.34 2.35 0.00 34 F 8.96 4.26 0.00 3.17 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 35 D 7.90 3.78 0.00 2.12 2.29 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 36 K 7.35 4.03 0.00 1.87 1.71 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.35 7.81 37 D 7.48 4.83 0.00 2.59 2.90 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 0.00 0.00 0.00 0.00 38 K 7.42 3.83 0.00 0.98 1.41 0.00 1.94 0.00 0.00 1.18 0.00 0.00 2.50 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.27 7.81 39 D 7.84 4.47 0.00 2.45 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 0.00 0.00 0.00 0.00 40 G 7.65 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 41 Y 7.22 4.84 0.00 3.24 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 42 I 8.16 4.49 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.87 1.13 0.00 0.00 43 N 8.25 5.05 0.00 3.12 3.07 0.00 0.00 6.21 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 44 C 8.60 4.26 0.00 3.04 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 45 R 8.14 3.95 0.00 1.81 1.96 0.00 3.26 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.32 0.00 46 D 8.47 4.59 0.00 3.02 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 47 L 8.40 4.20 0.00 1.97 1.77 1.05 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.65 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 49 N 8.58 4.39 0.00 2.92 2.94 0.00 0.00 6.88 7.21 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 50 C 8.14 4.77 0.00 3.35 3.51 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 51 M 8.06 4.26 0.00 2.24 2.46 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.49 0.00 52 R 7.94 4.46 0.00 2.15 2.03 0.00 3.18 0.00 0.00 3.29 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.82 0.00 53 T 7.80 4.04 4.56 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 1.29 0.00 0.00 54 M 7.72 4.41 0.00 2.32 2.22 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.68 0.00 55 G 8.40 3.81 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 0.00 0.00 0.00 56 Y 8.25 4.57 0.00 3.16 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 57 M 7.84 4.44 0.00 1.87 1.81 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 58 P 0.00 4.95 0.00 2.28 2.31 0.00 3.75 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 59 T 9.02 4.59 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 1.20 0.00 0.00 60 E 8.66 3.95 0.00 2.11 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 2.39 2.45 0.00 61 M 8.07 3.95 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.71 0.00 62 E 8.01 4.21 0.00 2.27 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 0.00 2.38 2.29 0.00 63 L 8.08 3.87 0.00 1.97 1.77 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.73 3.81 2.03 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.30 0.93 0.00 0.00 65 E 8.32 3.94 0.00 2.14 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 2.33 2.36 0.00 66 L 8.61 4.01 0.00 1.73 1.70 0.81 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.53 4.39 0.00 4.11 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 68 Q 8.09 4.01 0.00 2.35 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.84 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 69 Q 8.31 3.97 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 70 I 8.20 3.79 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.71 1.18 0.00 0.00 71 N 8.51 4.46 0.00 2.93 2.93 0.00 0.00 6.64 7.01 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 72 M 8.13 4.41 0.00 2.30 2.04 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 73 N 8.13 4.66 0.00 2.91 2.88 0.00 0.00 6.79 7.85 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 74 L 8.28 4.50 0.00 1.95 1.97 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.55 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.71 4.30 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 0.00 77 H 7.37 4.31 0.00 3.17 3.37 0.00 5.60 0.00 0.00 0.00 0.00 6.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.46 4.67 2.76 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 1.18 0.00 0.00 1.31 0.00 0.00 79 D 8.60 4.89 0.00 3.09 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 80 F 8.56 3.08 0.00 2.62 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 81 D 8.15 4.17 0.00 3.00 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 82 D 9.50 4.34 0.00 2.83 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 83 F 8.26 3.95 0.00 3.08 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 84 V 7.65 3.20 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 0.78 0.00 0.00 -0.02 0.00 0.00 85 E 7.69 3.81 0.00 2.10 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 0.00 2.26 2.41 0.00 86 L 7.56 3.95 0.00 1.27 1.49 0.85 0.80 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 87 M 8.08 3.90 0.00 1.39 1.43 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.65 0.00 88 G 7.94 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 89 P 0.00 4.29 0.00 1.90 2.06 0.00 3.72 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.09 0.00 90 K 7.51 3.75 0.00 1.41 0.74 0.00 1.03 0.00 0.00 1.37 0.00 0.00 2.76 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.19 0.99 7.81 91 L 7.59 4.24 0.00 1.70 1.75 1.15 0.36 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 92 L 8.20 4.08 0.00 1.74 1.71 0.95 0.73 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 93 A 7.44 4.47 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.65 4.13 0.00 2.20 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 2.57 2.75 0.00 95 T 8.26 4.42 4.19 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 1.18 0.00 0.00 96 A 8.41 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 97 D 7.46 4.31 0.00 2.65 2.79 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 98 M 7.80 4.20 0.00 1.93 2.13 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.51 0.00 99 I 7.37 3.89 2.10 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.50 0.98 0.00 0.00 100 G 7.63 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 V 8.48 3.76 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 1.18 0.00 0.00 0.97 0.00 0.00 102 K 8.04 4.07 0.00 1.80 1.80 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.10 7.81 103 E 8.19 4.27 0.00 2.24 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 0.00 2.47 2.46 0.00 104 L 7.93 4.19 0.00 2.06 1.93 0.94 0.74 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 0.00 105 R 8.52 4.08 0.00 1.93 2.26 0.00 3.00 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 106 D 8.48 4.45 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 0.00 107 A 8.36 4.22 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 0.00 0.00 0.00 0.00 0.00 108 F 9.00 2.94 0.00 2.69 3.26 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 0.00 109 R 8.31 4.00 0.00 1.92 1.86 0.00 3.32 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 110 E 8.12 4.31 0.00 2.25 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 0.00 2.36 2.39 0.00 111 F 7.71 4.26 0.00 2.70 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 0.00 112 D 7.54 4.69 0.00 2.15 2.23 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 0.00 113 T 7.81 3.83 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 1.16 0.00 0.00 114 N 8.29 4.40 0.00 2.87 2.97 0.00 0.00 7.00 6.44 0.00 0.00 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 G 8.06 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 0.00 0.00 0.00 116 D 9.70 4.58 0.00 2.73 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 0.00 117 G 8.57 4.14 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 0.00 118 E 8.85 4.83 0.00 1.98 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 0.00 2.26 2.38 0.00 119 I 9.00 4.53 1.99 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.08 0.99 0.00 0.00 120 S 8.90 4.72 0.00 3.94 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 0.00 121 T 8.70 3.95 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 1.27 0.00 0.00 122 S 8.02 4.27 0.00 4.07 4.16 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 0.00 123 E 8.60 3.92 0.00 2.16 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 2.40 2.30 0.00 124 L 8.51 4.14 0.00 1.92 1.94 1.16 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 125 R 7.89 3.97 0.00 1.81 1.93 0.00 3.35 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 126 E 7.88 4.06 0.00 1.91 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 0.00 2.26 2.23 0.00 127 A 7.65 3.83 0.66 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 0.00 128 M 8.38 3.96 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.65 0.00 129 R 8.56 4.91 0.00 1.80 1.91 0.00 3.29 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.37 0.00 130 K 7.31 4.19 0.00 1.81 1.74 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.33 1.33 7.81 131 L 7.81 4.28 0.00 1.71 1.74 1.05 1.30 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 0.00 132 L 8.13 4.21 0.00 1.46 1.51 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.67 3.81 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 0.00 0.00 0.00 134 H 7.40 4.54 0.00 3.25 3.38 0.00 5.46 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.66 4.43 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.83 0.00 0.00 0.00 0.00 0.00 2.28 1.91 0.00 136 V 7.99 4.53 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 1.00 0.00 0.00 0.93 0.00 0.00 137 G 8.70 3.86 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 0.00 0.00 0.00 138 H 9.16 4.17 0.00 3.36 3.59 0.00 5.47 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 0.00 139 R 7.84 4.40 0.00 1.84 1.98 0.00 3.31 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.15 0.00 140 D 7.97 4.61 0.00 2.83 2.76 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 0.00 141 I 8.01 3.80 2.03 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 1.82 0.90 0.98 0.00 0.00 142 E 8.05 4.00 0.00 2.13 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 2.34 2.40 0.00 143 E 7.95 3.92 0.00 2.15 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 0.00 2.31 2.36 0.00 144 I 7.40 3.70 2.05 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 1.54 0.73 0.95 0.00 0.00 145 I 7.72 3.86 2.05 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 1.70 0.96 1.00 0.00 0.00 146 R 7.84 3.87 0.00 2.13 1.98 0.00 3.11 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 147 D 8.06 4.46 0.00 2.88 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 0.00 148 V 7.18 4.13 2.27 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 0.79 0.00 0.00 0.95 0.00 0.00 149 D 8.37 4.68 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 10.11 4.24 0.00 1.55 1.70 0.91 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 151 N 8.46 4.72 0.00 2.82 2.90 0.00 0.00 6.15 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 G 7.65 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 0.00 153 D 8.16 4.75 0.00 2.72 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 0.00 154 G 8.55 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 0.00 0.00 0.00 0.00 155 R 7.73 4.90 0.00 1.61 1.69 0.00 3.22 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.40 0.00 156 V 8.63 4.71 2.19 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 1.09 0.00 0.00 1.00 0.00 0.00 157 D 9.31 5.23 0.00 2.86 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 0.00 158 F 8.58 3.21 0.00 2.15 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 0.00 159 E 8.36 3.82 0.00 2.19 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 2.33 2.40 0.00 160 E 8.42 3.94 0.00 2.17 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 0.00 2.50 2.40 0.00 161 F 8.61 4.22 0.00 3.17 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 0.00 162 V 7.68 3.32 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 0.22 0.00 0.00 163 R 7.89 3.84 0.00 2.04 1.89 0.00 3.32 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.83 0.00 164 M 7.43 4.10 0.00 1.77 1.98 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.51 0.00 165 M 7.23 4.46 0.00 1.86 1.68 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 166 S 7.59 4.97 0.00 3.82 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 0.00 167 R 8.46 4.11 0.00 1.77 1.81 0.00 3.21 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00