NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3170 8.3149 120.0039 56.2118 33.9491 174.8725 7 L 4.2452 8.1860 118.7417 53.3284 42.1283 174.8965 8 H 5.0991 9.1335 115.9755 53.9939 32.6577 172.4779 9 K 4.5838 8.6292 119.4917 55.8178 33.3461 175.9624 10 E 4.9903 9.1864 123.6692 53.7145 33.2240 173.8674 11 P 5.0005 0.0000 0.0000 63.1372 32.5537 174.8297 12 A 4.9470 8.6917 122.0766 51.3238 23.1410 175.3685 13 T 4.6564 8.4911 114.9001 61.3046 72.0618 174.0314 14 L 4.2469 8.7020 127.9603 55.9716 42.3343 175.5534 15 I 4.3796 8.3803 125.6274 62.1914 39.0520 175.7704 16 K 4.5032 8.1539 120.4662 55.3714 36.0903 174.0243 17 A 4.5553 8.7252 130.3434 51.9536 19.3239 177.0942 18 I 4.2014 8.0765 122.7239 62.5811 39.2724 174.6530 19 D 4.4672 7.7763 117.7988 53.4893 44.3958 175.9374 20 G 3.7830 8.8307 108.6751 47.6767 0.0000 173.9280 21 D 4.9237 8.0735 116.7128 53.0068 40.6180 175.0780 22 T 5.2524 7.7237 115.7068 62.2829 72.9129 173.3302 23 V 4.7513 8.8681 118.0511 59.5141 36.5364 174.1423 24 K 5.0559 9.1181 125.9880 55.1903 33.8771 175.2644 25 L 5.3479 9.2058 126.5591 53.1139 46.5802 175.1237 26 M 4.8989 9.1143 121.8706 54.9231 33.6627 174.3250 27 Y 4.8718 9.0559 128.0337 55.8141 41.9557 175.5535 28 K 3.3910 9.3269 127.8665 57.5687 29.5417 176.4286 29 G 3.9302 8.3224 103.8669 45.6210 0.0000 173.0815 30 Q 4.8243 7.7235 121.6120 53.0687 32.0709 172.8418 31 P 4.9926 0.0000 0.0000 63.3031 32.1296 175.2612 32 M 4.8466 9.4673 123.1276 54.1297 36.3336 173.6484 33 T 4.7734 8.3811 121.4637 62.9153 70.5884 173.4656 34 F 5.0613 9.4570 124.9993 55.5952 42.2358 174.2422 35 R 4.8133 8.8574 124.4875 54.9735 31.5515 175.2690 36 L 4.3528 8.7516 127.7035 54.4503 42.0793 177.3641 37 L 3.8897 8.6949 125.3951 56.0754 42.1750 178.1521 38 L 3.8157 8.7980 120.2234 55.0595 39.2644 173.9877 39 V 4.9092 7.2466 110.9177 59.5634 35.1483 174.7185 40 D 4.9850 9.2556 124.7005 52.8364 42.7698 175.6429 41 T 4.9135 8.3104 113.7219 58.6417 71.6959 172.6166 42 P 4.4368 0.0000 0.0000 63.2366 31.9982 175.1799 43 E 4.8601 10.1391 120.8638 54.9660 32.2274 176.9760 44 T 4.1966 8.4954 110.0333 62.3480 70.0393 175.5233 45 K 4.5787 7.5036 122.0932 55.7371 32.6647 176.1616 46 H 4.2794 8.5825 119.9972 55.1991 30.6857 174.0462 47 P 4.2443 0.0000 0.0000 64.9290 31.6008 177.0539 48 K 4.4431 8.1241 114.9151 58.0306 33.6439 177.8220 49 K 4.1016 8.3187 116.4919 57.4694 34.0252 178.9165 50 G 3.7957 8.6683 107.1991 45.1084 0.0000 175.5544 51 V 4.7159 8.6565 127.9639 61.1177 32.8983 173.8320 52 E 4.4570 8.9128 128.4312 54.6483 31.7646 175.9502 53 K 3.9756 8.3086 122.5596 58.3285 32.4195 176.6276 54 Y 4.2236 8.1273 122.9222 59.3160 36.1207 171.3432 55 G 3.5848 8.2338 107.7146 47.3256 0.0000 174.0442 56 P 4.2792 0.0000 0.0000 65.2868 31.4204 178.5874 57 E 4.0308 8.1706 116.5181 59.3798 29.6065 179.1237 58 A 4.0206 8.3318 121.0717 55.0751 18.5214 179.6922 59 S 4.0994 8.3949 111.6971 61.3277 62.4818 176.1794 60 A 4.0309 8.4842 124.0644 55.0599 18.1620 179.3517 61 F 3.9830 8.3929 119.1288 61.6601 39.4629 177.7643 62 V 3.8085 7.9778 111.2545 63.4878 31.3696 178.4057 63 K 3.8556 7.9282 119.6144 59.4874 32.0286 178.7407 64 K 3.8421 8.0091 118.4528 59.7179 31.7866 178.9156 65 M 3.8303 7.4357 116.6906 58.7412 31.9140 178.2015 66 V 3.8831 8.1170 112.3061 63.5049 31.7338 178.3022 67 E 4.0698 8.5508 117.9619 58.5786 29.5167 177.2632 68 N 4.6895 7.9284 113.9755 52.7804 38.8478 174.7665 69 A 4.6669 7.2587 120.7916 51.2607 19.9293 178.3793 70 K 4.1789 8.8974 120.7003 58.3902 32.7773 178.1469 71 K 4.6434 8.9626 118.5280 54.5572 35.7505 175.5345 72 I 4.9999 8.4069 125.3680 59.6921 39.8290 174.5187 73 E 5.2273 9.1469 124.9511 54.6459 33.9579 175.0430 74 V 4.6494 8.8887 115.4372 59.4751 35.2714 174.6369 75 E 5.0104 8.9295 124.6684 54.3601 32.1056 175.0779 76 F 4.6404 8.8143 125.7563 57.6730 40.1213 175.5282 77 D 4.9747 8.5326 120.8792 53.2022 43.2032 175.7192 78 K 4.3697 8.8026 117.3312 57.7872 33.8470 177.7937 79 G 4.1691 7.8967 111.6956 44.6778 0.0000 173.3949 80 Q 4.0130 8.6980 121.4176 56.8536 29.2789 176.7874 81 R 4.6108 8.5018 119.2380 56.2485 31.1935 175.8927 82 T 5.0654 7.4065 107.2710 59.7610 72.0970 173.5244 83 D 4.7642 8.4379 123.2732 51.8923 41.7226 176.8423 84 K 3.9845 8.3878 116.8303 59.2345 32.7158 176.9132 85 Y 4.2767 8.3217 116.6969 57.7864 37.9574 176.4818 86 G 3.9503 8.1983 108.9478 44.9584 0.0000 174.0503 87 R 4.2502 7.9517 119.6463 55.2936 31.4944 176.3700 88 G 3.7142 8.3950 111.2285 46.6663 0.0000 172.3646 89 L 5.2217 8.8571 123.4379 53.1606 43.1548 175.6298 90 A 4.4417 8.3629 124.8262 50.8898 23.5424 174.0365 91 Y 4.7765 8.5893 117.5532 57.1691 39.6436 175.0714 92 I 4.7322 8.5945 124.8929 59.7190 40.0609 174.1607 93 Y 5.0687 9.2906 123.9113 56.0348 41.2232 174.4551 94 A 4.9494 9.0353 125.8975 50.2435 21.3765 176.3725 95 D 4.3067 10.0842 125.4803 55.7884 39.0793 175.3822 96 G 4.0039 8.4448 105.8555 45.1593 0.0000 173.4930 97 K 4.4931 7.9263 120.3162 54.8255 33.6726 175.4019 98 M 3.9454 8.5031 123.3792 55.0246 33.0272 176.9854 99 V 3.6149 8.4929 127.4797 66.1718 31.5718 177.7421 100 N 4.3331 7.9270 115.8187 56.2795 38.4576 176.8582 101 E 3.8685 8.0468 120.0440 58.9448 29.8480 178.3040 102 A 4.0461 8.1767 121.0018 55.3483 18.3998 179.5329 103 L 3.4721 7.9651 117.3229 57.9039 41.6712 180.0704 104 V 3.7103 7.4169 118.1925 65.9146 31.2594 178.0865 105 R 3.9463 8.4350 117.9266 59.0801 29.9855 177.5802 106 Q 4.3167 7.7596 115.2409 55.1774 29.2783 176.1029 107 G 3.8962 8.0076 108.7910 46.6896 0.0000 174.6320 108 L 4.4952 7.6606 116.4441 53.6594 42.3986 176.0285 109 A 4.5575 7.4494 118.5537 51.1181 22.0979 176.1978 110 K 4.8339 8.7518 119.0158 54.2305 35.7240 176.0725 111 V 4.1641 8.8516 123.0976 62.9705 31.9049 176.0631 112 A 4.6003 8.4549 130.3370 50.6126 19.7033 176.4647 113 Y 4.3940 7.6052 117.0146 58.2020 38.4035 176.0832 114 V 4.1243 8.1394 124.0146 61.4379 33.1906 174.7368 115 Y 4.6136 8.2269 123.8852 55.8131 38.8792 175.5337 116 K 4.4634 8.5989 124.7005 56.1342 32.7273 175.0973 117 P 4.8428 0.0000 0.0000 63.1961 32.1834 176.7648 118 N 4.9270 8.1848 117.4965 52.7238 37.1072 175.4081 119 N 5.1463 7.7367 111.5665 53.3161 39.3852 177.1640 120 T 3.8665 8.4487 118.0785 67.4868 68.7284 174.8947 121 H 4.8971 7.8687 116.9076 55.7742 29.2692 176.8618 122 E 3.9891 8.4277 122.9180 59.6609 29.3304 178.6979 123 Q 3.9820 8.0388 117.5245 59.1428 28.9921 177.8035 124 H 4.1798 8.3072 118.7714 59.5687 29.7402 177.0819 125 L 3.9357 8.0520 120.4993 57.8520 41.4722 179.7439 126 R 3.9211 8.4071 118.3955 59.0239 29.9176 179.3032 127 K 3.9951 8.3232 118.7214 59.5800 31.9971 179.6097 128 S 4.1462 7.9581 115.0111 61.3516 62.6529 176.3735 129 E 3.9192 8.4254 122.3279 58.9410 29.2726 178.5203 130 A 3.7639 7.9521 120.9345 55.1660 18.3705 179.4178 131 Q 3.7818 7.9667 117.6335 59.3643 29.2969 178.3709 132 A 4.0901 8.1357 121.7297 54.8192 18.3317 179.8941 133 K 3.1860 7.6386 117.3399 59.2149 31.8030 179.3176 134 K 3.8383 7.8083 118.8824 59.4340 32.1897 177.8108 135 E 4.2110 8.2882 115.8870 55.4981 30.0539 176.3863 136 K 4.0653 7.8250 117.7130 57.2332 30.6265 175.3245 137 L 4.3989 7.9081 117.3688 55.5260 43.9398 177.3293 138 N 3.8914 8.7801 120.0165 53.9307 38.1265 177.3939 139 I 2.8370 5.7960 127.9357 64.5646 36.9437 176.2631 140 W 4.8236 7.8153 117.8970 56.4411 29.3650 176.4402 141 S 4.4735 9.0083 120.2011 58.5355 62.6608 173.9578 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 6 K 8.31 4.32 0.00 1.91 1.95 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 7 L 8.19 4.25 0.00 1.83 1.77 1.09 0.85 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 8 H 9.13 5.10 0.00 3.11 3.24 0.00 5.52 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.63 4.58 0.00 1.56 1.65 0.00 1.39 0.00 0.00 1.08 0.00 0.00 2.36 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.02 1.25 7.81 10 E 9.19 4.99 0.00 2.09 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 2.34 2.11 0.00 11 P 0.00 5.00 0.00 2.10 2.06 0.00 3.82 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 12 A 8.69 4.95 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 13 T 8.49 4.66 4.28 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 1.23 0.00 0.00 14 L 8.70 4.25 0.00 1.63 1.58 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.38 4.38 2.05 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.87 0.94 0.00 0.00 16 K 8.15 4.50 0.00 1.80 1.60 0.00 1.64 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.33 1.37 7.81 17 A 8.73 4.56 1.25 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 0.00 0.00 0.00 18 I 8.08 4.20 2.01 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 1.31 0.69 0.90 0.00 0.00 19 D 7.78 4.47 0.00 2.71 2.47 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 20 G 8.83 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 0.00 0.00 0.00 21 D 8.07 4.92 0.00 2.85 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 22 T 7.72 5.25 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 1.27 0.00 0.00 23 V 8.87 4.75 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 0.67 0.00 0.00 0.94 0.00 0.00 24 K 9.12 5.06 0.00 1.85 1.81 0.00 1.60 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.67 7.81 25 L 9.21 5.35 0.00 1.81 1.65 0.35 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.11 4.90 0.00 2.17 2.00 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 2.56 0.00 27 Y 9.06 4.87 0.00 3.27 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 28 K 9.33 3.39 0.00 1.51 1.65 0.00 1.08 0.00 0.00 1.30 0.00 0.00 2.83 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.07 0.65 7.81 29 G 8.32 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 30 Q 7.72 4.82 0.00 2.20 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 31 P 0.00 4.99 0.00 2.15 2.09 0.00 3.81 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 2.02 1.99 0.00 32 M 9.47 4.85 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.91 0.00 33 T 8.38 4.77 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 1.21 0.00 0.00 34 F 9.46 5.06 0.00 3.00 2.83 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 0.00 0.00 0.00 0.00 35 R 8.86 4.81 0.00 1.93 1.95 0.00 3.32 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 1.59 1.65 0.00 36 L 8.75 4.35 0.00 1.54 1.60 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.69 3.89 0.00 1.23 1.27 0.39 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.80 3.82 0.00 2.02 1.89 1.14 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.25 4.91 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 0.79 0.00 0.00 0.91 0.00 0.00 40 D 9.26 4.98 0.00 2.40 2.48 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 0.00 41 T 8.31 4.91 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 1.21 0.00 0.00 42 P 0.00 4.44 0.00 2.29 2.32 0.00 3.72 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 2.21 2.00 0.00 43 E 10.14 4.86 0.00 2.01 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 2.20 2.40 0.00 44 T 8.50 4.20 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 1.22 0.00 0.00 45 K 7.50 4.58 0.00 1.83 1.77 0.00 1.69 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.32 7.81 46 H 8.58 4.28 0.00 3.13 3.22 0.00 5.59 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.24 0.00 2.01 2.03 0.00 3.00 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.95 0.00 48 K 8.12 4.44 0.00 1.83 1.87 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.51 7.81 49 K 8.32 4.10 0.00 1.28 1.74 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.14 7.81 50 G 8.67 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.66 4.72 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 0.82 0.00 0.00 0.96 0.00 0.00 52 E 8.91 4.46 0.00 1.94 1.81 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 2.23 2.45 0.00 53 K 8.31 3.98 0.00 1.64 1.70 0.00 1.38 0.00 0.00 1.52 0.00 0.00 2.83 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.28 0.89 7.81 54 Y 8.13 4.22 0.00 3.20 3.02 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 55 G 8.23 3.58 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 0.00 0.00 0.00 56 P 0.00 4.28 0.00 2.15 2.12 0.00 3.57 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 2.08 2.17 0.00 57 E 8.17 4.03 0.00 2.32 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 0.00 2.50 2.49 0.00 58 A 8.33 4.02 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 59 S 8.39 4.10 0.00 4.06 4.09 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 0.00 0.00 0.00 0.00 60 A 8.48 4.03 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 61 F 8.39 3.98 0.00 3.20 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.98 3.81 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 0.90 0.00 0.00 0.95 0.00 0.00 63 K 7.93 3.86 0.00 1.97 1.99 0.00 1.65 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.59 7.81 64 K 8.01 3.84 0.00 1.96 1.69 0.00 1.60 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.45 7.81 65 M 7.44 3.83 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 66 V 8.12 3.88 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 0.87 0.00 0.00 1.02 0.00 0.00 67 E 8.55 4.07 0.00 1.91 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 2.47 0.00 68 N 7.93 4.69 0.00 2.88 2.79 0.00 0.00 6.93 7.38 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 69 A 7.26 4.67 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 70 K 8.90 4.18 0.00 1.78 1.87 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.46 1.64 7.81 71 K 8.96 4.64 0.00 1.62 1.66 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 72 I 8.41 5.00 2.03 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 1.33 0.72 0.85 0.00 0.00 73 E 9.15 5.23 0.00 1.88 1.74 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 2.20 2.25 0.00 74 V 8.89 4.65 1.31 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 -0.09 0.00 0.00 0.63 0.00 0.00 75 E 8.93 5.01 0.00 2.18 2.33 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 2.54 2.41 0.00 76 F 8.81 4.64 0.00 3.05 2.96 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 77 D 8.53 4.97 0.00 2.68 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 78 K 8.80 4.37 0.00 1.92 1.97 0.00 1.69 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.50 7.81 79 G 7.90 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.70 4.01 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 81 R 8.50 4.61 0.00 1.61 1.51 0.00 2.54 0.00 0.00 2.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 82 T 7.41 5.07 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 1.15 0.00 0.00 83 D 8.44 4.76 0.00 2.95 2.89 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 0.00 0.00 0.00 84 K 8.39 3.98 0.00 1.62 1.79 0.00 1.19 0.00 0.00 1.49 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.09 0.40 7.81 85 Y 8.32 4.28 0.00 3.10 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 86 G 8.20 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 87 R 7.95 4.25 0.00 2.09 1.81 0.00 3.13 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 88 G 8.39 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.86 5.22 0.00 1.56 1.62 0.92 0.60 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 90 A 8.36 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.59 4.78 0.00 2.99 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 92 I 8.59 4.73 1.75 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.97 0.80 0.00 0.00 93 Y 9.29 5.07 0.00 2.83 2.83 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 0.00 0.00 0.00 0.00 94 A 9.04 4.95 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 D 10.08 4.31 0.00 2.73 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.44 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 97 K 7.93 4.49 0.00 1.98 1.76 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.41 1.39 7.81 98 M 8.50 3.95 0.00 1.89 1.60 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.43 0.00 99 V 8.49 3.61 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 1.02 0.00 0.00 0.93 0.00 0.00 100 N 7.93 4.33 0.00 2.88 2.88 0.00 0.00 6.79 7.66 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 0.00 101 E 8.05 3.87 0.00 1.89 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 2.20 2.07 0.00 102 A 8.18 4.05 1.59 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 0.00 0.00 103 L 7.97 3.47 0.00 1.81 1.59 0.98 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.42 3.71 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 1.08 0.00 0.00 0.95 0.00 0.00 105 R 8.43 3.95 0.00 2.00 2.09 0.00 3.35 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 106 Q 7.76 4.32 0.00 1.67 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.26 0.00 0.00 0.00 0.00 0.00 2.46 2.18 0.00 107 G 8.01 3.90 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 0.00 0.00 0.00 108 L 7.66 4.50 0.00 1.24 1.43 0.45 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.45 4.56 1.10 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 0.00 110 K 8.75 4.83 0.00 1.59 1.85 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.69 0.00 0.00 2.38 0.00 0.00 0.00 0.00 1.20 1.15 7.81 111 V 8.85 4.16 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 0.78 0.00 0.00 1.00 0.00 0.00 112 A 8.45 4.60 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 Y 7.61 4.39 0.00 3.00 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 0.00 114 V 8.14 4.12 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 0.86 0.00 0.00 1.03 0.00 0.00 115 Y 8.23 4.61 0.00 3.07 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 0.00 116 K 8.60 4.46 0.00 1.80 1.80 0.00 1.78 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.41 7.81 117 P 0.00 4.84 0.00 2.22 2.16 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 118 N 8.18 4.93 0.00 2.97 2.90 0.00 0.00 6.61 8.70 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 0.00 119 N 7.74 5.15 0.00 2.87 3.01 0.00 0.00 6.09 7.22 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 0.00 120 T 8.45 3.87 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 1.09 0.00 0.00 121 H 7.87 4.90 0.00 2.86 3.12 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.43 3.99 0.00 2.19 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 2.34 2.40 0.00 123 Q 8.04 3.98 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.63 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 124 H 8.31 4.18 0.00 3.21 3.46 0.00 5.87 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 0.00 125 L 8.05 3.94 0.00 1.91 1.70 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.41 3.92 0.00 2.06 1.97 0.00 3.14 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 127 K 8.32 4.00 0.00 1.95 1.85 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.45 1.58 7.81 128 S 7.96 4.15 0.00 3.95 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 8.43 3.92 0.00 2.05 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 2.19 2.55 0.00 130 A 7.95 3.76 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 0.00 131 Q 7.97 3.78 0.00 2.16 2.21 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 2.34 2.49 0.00 132 A 8.14 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 133 K 7.64 3.19 0.00 1.53 1.31 0.00 0.99 0.00 0.00 0.61 0.00 0.00 2.54 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.30 0.21 7.81 134 K 7.81 3.84 0.00 1.70 1.93 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.44 7.81 135 E 8.29 4.21 0.00 1.95 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 2.32 2.47 0.00 136 K 7.82 4.07 0.00 1.91 1.91 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.39 7.81 137 L 7.91 4.40 0.00 1.82 1.71 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 138 N 8.78 3.89 0.00 2.69 1.42 0.00 0.00 7.11 7.32 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 0.00 139 I 5.80 2.84 1.41 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.22 -0.60 0.00 0.00 140 W 7.82 4.82 0.00 3.38 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 0.00 141 S 9.01 4.47 0.00 3.85 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