NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4472 8.3044 118.1955 55.1022 32.5602 174.2065 1 V 4.2347 7.9299 118.4076 60.6288 34.2191 173.6565 2 L 4.3204 8.3254 127.4296 53.9771 43.5844 176.7936 3 S 4.5746 8.7393 117.4838 57.5368 65.4697 175.1206 4 E 4.2551 8.7692 122.0159 59.4893 29.4112 178.8880 5 G 3.6086 8.0954 105.3425 47.5717 0.0000 175.5124 6 E 3.8772 7.8195 119.5228 59.1819 29.4330 179.3414 7 W 4.3864 8.1229 119.0031 60.0241 29.0936 178.5724 8 Q 4.1231 8.5968 118.1792 58.9483 28.0012 178.9681 9 L 4.0560 7.8925 119.6216 57.6467 41.6853 179.6460 10 V 3.7023 7.7790 117.9692 66.2357 31.7112 178.0799 11 L 4.3249 8.5219 118.4616 57.2729 41.0252 178.9743 12 H 4.2479 8.5209 119.2139 59.2839 29.9041 177.6655 13 V 3.4643 7.8486 120.8360 64.3859 31.3931 178.0605 14 W 4.0270 8.5636 128.8394 60.2220 30.2378 177.7982 15 A 4.0409 7.8430 119.8009 54.7605 18.0100 179.5326 16 K 3.9532 7.3374 117.0323 59.4563 32.1727 179.4411 17 V 2.8602 7.2578 118.4552 65.9820 30.9945 177.6417 18 E 3.8755 7.5110 115.5420 57.9986 29.3440 178.4889 19 A 4.2146 7.4901 120.5390 53.6398 19.8387 177.6041 20 D 4.6497 7.8908 116.8046 52.0407 42.4451 175.5544 21 V 3.4559 7.8674 122.8460 65.4281 32.0792 176.8524 22 A 4.0502 7.9501 120.2826 55.0131 18.3214 179.6514 23 G 3.6574 8.2332 105.6054 47.7763 0.0000 175.7121 24 H 4.1844 8.1868 118.6063 58.3298 28.6698 178.1203 25 G 3.5888 8.2467 107.7019 47.8306 0.0000 175.7581 26 Q 3.8755 8.0693 120.4646 58.8353 28.7718 178.5694 27 D 4.2793 7.9291 119.8064 57.3914 40.7483 179.1291 28 I 3.6508 7.8677 120.2319 64.4077 37.0799 178.5237 29 L 3.4539 7.6446 119.7873 57.6009 41.2558 179.7204 30 I 3.6096 7.7464 119.9631 64.1935 37.0017 178.3881 31 R 3.7656 7.9610 119.6242 59.2100 29.8842 178.2913 32 L 3.9069 7.8372 120.1508 58.3699 42.0697 179.1041 33 F 4.5941 7.9678 117.8641 60.3053 38.5391 178.0557 34 K 3.9925 8.1315 117.8863 59.6737 31.9905 179.3363 35 S 4.2771 7.9610 114.1005 60.4245 64.2209 174.6483 36 H 4.7737 8.1304 118.1275 52.2245 29.5880 171.9812 37 P 4.7888 0.0000 0.0000 64.4937 31.4043 177.6321 38 E 4.3932 8.4446 117.7020 58.8325 29.5470 179.0470 39 T 3.8684 8.2169 111.3911 64.3822 68.8762 176.3655 40 L 3.7902 7.9516 123.3182 57.8956 42.1035 178.6564 41 E 4.1227 8.1031 118.5957 58.9284 29.1278 178.8777 42 K 4.5171 8.1424 116.9882 56.9760 32.7346 177.4901 43 F 4.5969 8.1648 119.1748 55.6394 39.3734 175.7144 44 D 4.4394 8.4937 124.4481 57.1634 40.8111 178.4673 45 R 3.9463 7.7727 117.2487 57.7966 30.4066 176.9747 46 F 5.0190 7.6372 115.2315 56.7029 40.4294 176.9162 47 K 3.8885 8.3041 121.9981 59.3345 31.9715 177.0397 48 H 4.4993 8.1299 112.8434 57.1995 29.1937 175.8233 49 L 4.0354 7.3942 120.6711 55.2066 41.6883 176.9299 50 K 4.3430 9.4403 123.4100 57.3626 33.5038 177.0541 51 T 4.7427 7.3026 107.4677 58.7993 73.2936 174.1753 52 E 3.8812 8.6991 121.2441 59.4034 29.6311 178.7071 53 A 4.0166 7.9452 120.3324 55.2581 18.2633 179.3281 54 E 3.9508 7.8920 116.1007 59.6716 29.8770 179.1247 55 M 4.1497 8.1908 118.8378 58.4553 31.8428 179.0486 56 K 3.9994 8.3595 117.4052 58.8421 32.2687 178.4634 57 A 4.4299 7.4831 118.4967 51.7472 19.1259 177.0369 58 S 4.3271 7.4695 113.7795 57.2165 62.8508 174.4457 59 E 3.9969 8.8685 129.2543 59.3069 29.4712 177.9996 60 D 4.4481 8.1319 117.8483 57.2125 41.3301 177.8892 61 L 3.4843 7.6243 119.5944 57.7999 42.1695 178.8340 62 K 3.8836 7.8643 119.2613 59.2793 32.2489 178.6850 63 K 3.9832 8.2830 120.0685 59.8409 32.0435 178.3306 64 H 4.4887 8.6368 118.7479 59.0890 29.8177 177.4248 65 G 3.5871 8.3820 107.9164 47.6675 0.0000 175.8764 66 V 3.6058 7.7598 120.1785 66.0611 31.6107 178.0922 67 T 3.8990 7.7770 115.1216 66.7156 68.3543 176.5695 68 V 3.6101 7.9493 119.9938 66.2805 31.5720 178.1679 69 L 4.2863 8.0653 118.4972 57.8112 41.5304 179.6587 70 T 3.9560 8.2175 115.9154 66.5796 68.2740 176.5627 71 A 4.0131 8.0284 122.6995 55.0315 18.3610 179.4957 72 L 3.6628 8.0943 119.0950 57.9766 42.1448 179.3656 73 G 3.4403 8.5773 105.9583 47.6607 0.0000 175.4775 74 A 3.9953 7.6544 121.9500 54.8683 18.6825 179.6125 75 I 3.7318 7.3636 118.0266 64.5862 37.2484 178.7089 76 L 3.9394 7.8566 120.1605 57.6158 41.1665 179.4842 77 K 4.0204 7.7090 116.6696 58.1419 32.2986 178.5840 78 K 3.9739 7.8817 118.3755 55.8792 32.6202 176.5550 79 K 2.0000 8.2182 118.3834 56.4226 29.8947 175.4509 80 G 3.9684 7.8951 105.9592 45.7893 0.0000 174.0982 81 H 4.5705 7.3889 119.2097 55.2542 27.4745 174.8403 82 H 5.1187 7.3625 111.2296 54.1392 29.6173 175.8203 83 E 3.9552 8.6207 122.5163 60.2169 28.9358 178.8334 84 A 4.1314 7.9252 118.6351 55.2133 17.3368 179.0163 85 E 4.1204 8.1730 116.7061 59.4739 29.5476 179.3611 86 L 4.4759 8.2448 119.1922 57.3105 41.6360 179.4933 87 K 4.0074 7.8158 117.6602 59.1483 32.1205 177.6065 88 P 4.3397 0.0000 0.0000 65.4886 31.3228 178.0783 89 F 4.1668 7.9047 120.0965 61.2085 39.2689 176.9325 90 A 3.9545 8.3683 120.4007 55.2415 18.2266 179.3932 91 Q 3.8492 8.2592 118.3493 59.3113 29.1332 178.6339 92 S 3.9763 8.0734 115.3593 61.6939 63.0934 176.1086 93 H 4.2109 8.2899 119.3967 57.7160 28.1504 177.5846 94 A 2.8486 7.7257 122.2944 54.3971 18.5541 178.8767 95 T 3.9492 7.4081 112.0717 64.3392 69.4202 176.1541 96 K 4.0453 7.4137 120.1691 58.6585 32.8480 177.1102 97 H 4.3193 8.0112 114.2304 55.7505 29.6108 175.4566 98 K 3.1704 7.4160 117.3106 57.0283 28.5645 175.4687 99 I 4.2980 7.8936 118.8262 58.6339 38.2591 174.9073 100 P 4.6065 0.0000 0.0000 62.2106 32.2192 177.3209 101 I 3.6539 8.6246 120.8930 64.8660 36.8888 178.3932 102 K 3.7151 7.9340 119.5962 59.7004 31.9192 178.1831 103 Y 4.2647 8.0181 116.7752 60.6074 37.8747 177.9723 104 L 4.2796 7.9186 119.7893 57.5318 41.7893 179.0440 105 E 4.0384 8.1479 118.9044 59.3906 29.3673 179.2792 106 F 4.5242 7.8988 117.9112 60.7679 38.9339 177.6109 107 I 3.9058 8.1387 118.2063 63.8593 37.7588 178.0895 108 S 4.1962 8.1729 116.2690 61.6010 62.7054 176.1800 109 E 4.0313 8.4570 121.7536 59.2513 29.3611 178.7386 110 A 4.0432 8.0793 120.8942 55.1428 18.4439 179.7354 111 I 3.6907 8.0450 118.4021 64.6310 37.1772 178.7611 112 I 3.8124 7.9130 120.6877 64.5317 36.9542 177.9091 113 H 4.1205 8.3926 119.0953 59.4229 29.7009 177.5429 114 V 3.5962 7.8324 119.9791 65.9470 31.3247 178.0234 115 L 3.8147 7.8786 118.8359 57.8050 41.0623 178.9160 116 H 4.3525 7.9788 117.4945 59.4417 29.8908 177.2785 117 S 4.1691 7.8903 116.0555 61.3453 62.7683 176.2456 118 R 4.1600 7.8675 119.1181 57.2031 31.1332 176.3209 119 H 5.0459 8.2350 116.1341 54.2219 29.7140 173.4792 120 P 4.3510 0.0000 0.0000 65.7677 31.6594 179.0088 121 G 3.6320 8.1340 106.7064 47.4719 0.0000 173.7011 122 N 5.0307 8.1609 115.1607 52.9602 39.6216 174.7204 123 F 4.9032 7.8155 119.4287 56.3750 39.5890 174.3238 124 G 3.8925 7.6668 108.9733 43.9934 0.0000 171.9293 125 A 3.8834 8.4160 120.6137 55.4659 18.3168 179.7393 126 D 4.1894 7.9521 116.5902 57.3579 40.9008 178.7351 127 A 3.9306 7.7059 120.9099 54.9752 18.4296 179.3349 128 Q 3.1929 7.8017 118.5462 58.9099 29.0031 178.5880 129 G 3.5744 8.0988 106.6871 47.7124 0.0000 175.5627 130 A 3.8422 7.9214 123.1036 55.0007 18.3584 179.4457 131 M 3.9820 8.2119 116.9248 58.6895 32.2931 177.8530 132 N 4.2902 8.5873 117.7158 56.6686 39.0546 176.7087 133 K 3.8549 8.2109 120.8132 59.3489 32.2653 178.5792 134 A 3.7792 7.8847 121.0435 55.1935 18.2346 179.6621 135 L 4.1084 8.1463 117.4757 57.7728 41.6167 179.5260 136 E 3.9884 8.6236 119.2245 59.0858 29.3608 179.0763 137 L 3.9331 8.1670 120.5177 58.0984 42.1913 178.3927 138 F 4.1622 8.2916 120.6080 61.8830 39.1422 177.5020 139 R 3.5639 8.2358 117.3010 58.8305 29.9109 179.0090 140 K 3.8635 8.3526 119.9225 59.6511 32.2068 178.6960 141 D 4.3739 8.1056 119.1840 57.3187 40.6422 178.8557 142 I 3.5474 7.7063 120.3269 64.0641 37.0130 178.2670 143 A 3.7948 8.0995 121.8240 54.9857 18.2018 179.5755 144 A 3.9557 7.8647 119.0447 55.2873 18.4465 180.0826 145 K 4.0466 8.0111 117.0540 59.5130 32.1094 179.0686 146 Y 4.4200 8.4396 117.6743 61.2503 37.8086 178.8221 147 K 3.9885 8.1669 120.2685 59.6068 32.0877 178.6460 148 E 4.0234 7.9877 117.7393 59.3548 29.4869 178.8617 149 L 4.2834 7.9284 117.2246 55.6154 41.9049 177.9577 150 G 4.0134 7.8246 106.6882 45.4411 0.0000 173.1601 151 Y 4.3150 8.0811 119.7994 59.2135 40.1604 175.8756 152 Q 3.1932 8.0723 116.1670 56.3667 27.1186 173.5974 153 G 3.2343 7.6034 109.6093 45.6658 0.0000 171.4040 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 0 M 8.30 4.45 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.93 4.23 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.33 4.32 0.00 0.96 0.81 0.61 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.74 4.57 0.00 4.05 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 4 E 8.77 4.26 0.00 2.19 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 2.43 2.51 0.00 5 G 8.10 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 7.82 3.88 0.00 1.96 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 2.20 2.25 0.00 7 W 8.12 4.39 0.00 3.57 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 8 Q 8.60 4.12 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.68 2.60 0.00 9 L 7.89 4.06 0.00 1.87 1.73 0.88 0.81 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 10 V 7.78 3.70 2.42 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 1.15 0.00 0.00 0.90 0.00 0.00 11 L 8.52 4.32 0.00 1.84 1.80 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.52 4.25 0.00 3.41 3.56 0.00 5.78 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 13 V 7.85 3.46 2.42 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 1.08 0.00 0.00 0.86 0.00 0.00 14 W 8.56 4.03 0.00 3.61 3.17 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 15 A 7.84 4.04 1.40 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 0.00 0.00 0.00 16 K 7.34 3.95 0.00 1.42 1.73 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.73 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.49 7.81 17 V 7.26 2.86 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 -0.11 0.00 0.00 0.46 0.00 0.00 18 E 7.51 3.88 0.00 1.99 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 2.19 2.02 0.00 19 A 7.49 4.21 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 20 D 7.89 4.65 0.00 2.69 2.51 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 21 V 7.87 3.46 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 1.04 0.00 0.00 0.82 0.00 0.00 22 A 7.95 4.05 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 23 G 8.23 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 24 H 8.19 4.18 0.00 3.12 3.23 0.00 5.82 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 25 G 8.25 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 0.00 0.00 0.00 26 Q 8.07 3.88 0.00 2.32 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 27 D 7.93 4.28 0.00 2.77 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 28 I 7.87 3.65 1.89 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 1.52 0.62 0.89 0.00 0.00 29 L 7.64 3.45 0.00 1.40 1.04 0.81 0.67 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 30 I 7.75 3.61 1.85 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.61 0.88 0.00 0.00 31 R 7.96 3.77 0.00 1.91 2.07 0.00 3.00 0.00 0.00 2.83 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 32 L 7.84 3.91 0.00 1.67 1.42 1.07 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.97 4.59 0.00 3.01 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 34 K 8.13 3.99 0.00 1.86 1.83 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.65 7.81 35 S 7.96 4.28 0.00 3.78 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.13 4.77 0.00 3.01 2.73 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.79 0.00 2.15 2.11 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 2.09 1.99 0.00 38 E 8.44 4.39 0.00 2.29 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 2.26 2.35 0.00 39 T 8.22 3.87 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 40 L 7.95 3.79 0.00 1.50 1.75 -0.16 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.10 4.12 0.00 2.27 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 2.37 2.40 0.00 42 K 8.14 4.52 0.00 1.93 1.73 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.74 1.95 7.81 43 F 8.16 4.60 0.00 3.14 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 44 D 8.49 4.44 0.00 2.58 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 45 R 7.77 3.95 0.00 1.15 1.06 0.00 3.06 0.00 0.00 3.07 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 46 F 7.64 5.02 0.00 2.88 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 47 K 8.30 3.89 0.00 1.95 1.90 0.00 1.79 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.47 7.81 48 H 8.13 4.50 0.00 3.32 3.40 0.00 5.60 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.39 4.04 0.00 1.59 1.58 0.84 0.85 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 50 K 9.44 4.34 0.00 1.67 1.84 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.52 7.81 51 T 7.30 4.74 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 52 E 8.70 3.88 0.00 2.04 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 2.36 2.36 0.00 53 A 7.95 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.89 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 2.35 2.34 0.00 55 M 8.19 4.15 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.56 0.00 56 K 8.36 4.00 0.00 1.79 1.85 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.54 7.81 57 A 7.48 4.43 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.47 4.33 0.00 4.04 3.79 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 59 E 8.87 4.00 0.00 2.14 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 0.00 2.40 2.46 0.00 60 D 8.13 4.45 0.00 2.99 3.01 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 0.00 0.00 0.00 61 L 7.62 3.48 0.00 1.40 1.56 -0.27 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.86 3.88 0.00 1.83 1.94 0.00 1.67 0.00 0.00 1.55 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.42 7.81 63 K 8.28 3.98 0.00 1.97 2.07 0.00 1.62 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.58 7.81 64 H 8.64 4.49 0.00 3.62 3.60 0.00 5.84 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 65 G 8.38 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 0.00 0.00 0.00 66 V 7.76 3.61 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 1.04 0.00 0.00 0.96 0.00 0.00 67 T 7.78 3.90 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 1.31 0.00 0.00 68 V 7.95 3.61 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 1.12 0.00 0.00 1.02 0.00 0.00 69 L 8.07 4.29 0.00 1.79 1.82 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.22 3.96 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 1.25 0.00 0.00 71 A 8.03 4.01 1.40 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 0.00 0.00 0.00 72 L 8.09 3.66 0.00 1.60 1.77 0.18 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.58 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.65 4.00 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 75 I 7.36 3.73 1.69 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.75 0.77 0.00 0.00 76 L 7.86 3.94 0.00 1.14 1.50 -0.23 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.71 4.02 0.00 1.70 1.79 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.15 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.45 1.50 7.81 78 K 7.88 3.97 0.00 1.83 1.80 0.00 1.74 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.62 1.72 7.81 79 K 8.22 2.00 0.00 1.20 0.74 0.00 1.46 0.00 0.00 1.42 0.00 0.00 2.71 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.34 0.83 7.81 80 G 7.90 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 81 H 7.39 4.57 0.00 3.16 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.36 5.12 0.00 3.27 3.43 0.00 5.67 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.62 3.96 0.00 2.08 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 2.43 2.44 0.00 84 A 7.93 4.13 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 85 E 8.17 4.12 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 2.39 2.47 0.00 86 L 8.24 4.48 0.00 2.08 1.79 0.90 0.84 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 87 K 7.82 4.01 0.00 2.06 1.91 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.66 7.81 88 P 0.00 4.34 0.00 2.34 2.36 0.00 3.94 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.08 0.00 89 F 7.90 4.17 0.00 3.33 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 90 A 8.37 3.95 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.26 3.85 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 92 S 8.07 3.98 0.00 3.95 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 93 H 8.29 4.21 0.00 2.85 3.31 0.00 5.80 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 94 A 7.73 2.85 0.79 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 0.00 0.00 95 T 7.41 3.95 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 1.09 0.00 0.00 96 K 7.41 4.05 0.00 1.49 1.60 0.00 1.54 0.00 0.00 1.59 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.23 1.30 7.81 97 H 8.01 4.32 0.00 2.92 3.11 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.42 3.17 0.00 1.73 1.71 0.00 1.41 0.00 0.00 1.56 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.18 1.23 7.81 99 I 7.89 4.30 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 1.45 0.92 1.15 0.00 0.00 100 P 0.00 4.61 0.00 1.98 2.00 0.00 3.26 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 1.35 0.00 101 I 8.62 3.65 1.82 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 1.56 1.03 0.83 0.00 0.00 102 K 7.93 3.72 0.00 1.73 1.65 0.00 1.61 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 0.73 7.81 103 Y 8.02 4.26 0.00 3.24 3.08 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 0.00 104 L 7.92 4.28 0.00 1.87 1.82 0.88 1.31 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 0.00 105 E 8.15 4.04 0.00 2.05 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 2.33 2.43 0.00 106 F 7.90 4.52 0.00 3.18 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 0.00 107 I 8.14 3.91 2.05 0.00 0.00 1.00 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 1.41 1.12 0.00 0.00 108 S 8.17 4.20 0.00 4.24 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 0.00 109 E 8.46 4.03 0.00 2.18 2.26 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 2.38 2.42 0.00 110 A 8.08 4.04 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.05 3.69 2.08 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 1.62 0.96 1.02 0.00 0.00 112 I 7.91 3.81 2.00 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 1.69 0.80 1.13 0.00 0.00 113 H 8.39 4.12 0.00 3.36 3.49 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.83 3.60 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 0.92 0.00 0.00 0.99 0.00 0.00 115 L 7.88 3.81 0.00 0.57 0.67 0.83 0.68 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 0.00 116 H 7.98 4.35 0.00 3.45 3.62 0.00 5.95 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.89 4.17 0.00 3.92 3.83 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 0.00 118 R 7.87 4.16 0.00 1.67 1.62 0.00 3.10 0.00 0.00 2.99 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 119 H 8.23 5.05 0.00 3.22 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.35 0.00 2.21 2.25 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 121 G 8.13 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.16 5.03 0.00 2.80 2.93 0.00 0.00 6.66 7.02 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 0.00 123 F 7.82 4.90 0.00 2.95 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 0.00 124 G 7.67 3.89 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 0.00 0.00 0.00 125 A 8.42 3.88 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 0.00 126 D 7.95 4.19 0.00 2.64 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 0.00 127 A 7.71 3.93 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 0.00 128 Q 7.80 3.19 0.00 1.27 1.91 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 2.24 2.28 0.00 129 G 8.10 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 7.92 3.84 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 0.00 131 M 8.21 3.98 0.00 2.39 2.35 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.87 0.00 132 N 8.59 4.29 0.00 2.84 2.92 0.00 0.00 6.87 6.53 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 0.00 133 K 8.21 3.85 0.00 1.90 1.75 0.00 1.58 0.00 0.00 1.54 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.37 7.81 134 A 7.88 3.78 1.20 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 0.00 135 L 8.15 4.11 0.00 1.75 1.81 0.98 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.62 3.99 0.00 2.12 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 2.60 0.00 137 L 8.17 3.93 0.00 1.84 1.99 1.03 0.99 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 0.00 138 F 8.29 4.16 0.00 3.13 3.16 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 0.00 139 R 8.24 3.56 0.00 1.98 1.86 0.00 3.17 0.00 0.00 3.31 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.94 0.00 140 K 8.35 3.86 0.00 1.83 2.03 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 D 8.11 4.37 0.00 2.86 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 0.00 142 I 7.71 3.55 1.36 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.20 0.17 0.00 0.00 143 A 8.10 3.79 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 0.00 144 A 7.86 3.96 1.40 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 0.00 0.00 0.00 145 K 8.01 4.05 0.00 1.98 1.95 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.66 7.81 146 Y 8.44 4.42 0.00 3.21 3.10 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 0.00 147 K 8.17 3.99 0.00 2.19 1.82 0.00 1.63 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.52 7.81 148 E 7.99 4.02 0.00 2.22 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 2.37 2.58 0.00 149 L 7.93 4.28 0.00 1.82 1.71 0.97 0.92 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 0.00 150 G 7.82 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.08 4.32 0.00 2.59 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 0.00 152 Q 8.07 3.19 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.24 2.34 0.00 153 G 7.60 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 0.00 0.00 0.00