NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 Q 4.4323 8.3331 118.8282 56.5044 30.8349 172.9037 0 G 3.9869 8.2786 109.0463 44.3259 0.0000 175.4915 2 K 4.8466 9.1392 132.7375 55.0257 37.0378 172.3326 3 I 5.0368 9.3824 127.4997 59.6089 39.2616 174.9162 4 A 5.4057 9.1321 129.7820 50.5520 21.3827 175.2332 5 L 5.3269 9.1460 123.3046 53.3823 45.1989 175.3302 6 I 5.1249 8.8543 126.0404 59.7144 41.1353 174.2671 7 I 4.9328 8.7376 128.0647 59.4408 40.4326 175.6997 8 E 4.5192 8.7234 125.1036 54.5945 31.4024 176.7461 9 N 4.3886 8.8396 116.2343 55.8397 37.3294 177.6380 10 S 4.1484 8.7642 113.3047 60.4043 63.3141 174.8990 11 Q 4.5291 8.1421 117.2560 55.1870 29.6175 176.8059 12 A 3.9573 7.8758 123.6333 55.3402 18.4001 180.3499 13 A 4.1098 7.9495 116.8500 54.4924 18.7628 178.0697 14 K 4.3322 8.2243 114.7807 56.5702 32.9197 178.0813 15 N 4.1579 8.1694 118.6670 56.6617 38.7251 176.4332 16 A 4.0593 7.9517 121.5755 55.1732 18.5537 179.6180 17 V 3.5752 7.7372 116.2680 66.1257 31.7254 178.3214 18 V 3.6880 7.9145 118.0197 66.2906 31.3836 177.3710 19 H 4.2328 8.6311 118.4702 59.3205 29.6607 176.8029 20 E 3.8718 8.3121 120.8608 59.2050 29.3652 178.5796 21 A 4.1377 8.1641 120.8917 55.1706 18.3774 179.4511 22 L 3.7243 8.2910 119.0992 58.4129 42.1996 179.2919 23 T 3.8283 8.3729 110.2584 65.0393 68.4640 176.6404 24 T 3.8624 7.8284 117.8795 66.0126 67.9202 175.9819 25 V 4.0356 7.6662 119.4314 65.1401 32.1544 177.9665 26 A 4.0990 8.2537 120.8155 55.0757 18.1801 179.4186 27 E 4.1213 8.1324 118.4225 58.6786 29.4223 177.9478 28 P 4.2774 0.0000 0.0000 64.7755 31.5363 177.0608 29 L 4.1965 7.1233 113.4597 54.9539 41.6718 177.4476 30 G 3.8458 8.4654 108.1926 45.4828 0.0000 172.7597 31 H 4.8665 7.8608 116.2903 54.0941 31.6760 173.9256 32 K 4.5804 8.4773 118.9097 54.6701 34.7470 175.2960 33 V 4.8135 8.0238 123.8652 61.0936 33.7754 174.5498 34 F 4.6072 9.6072 126.7982 55.7648 41.4333 174.2095 35 N 4.9373 8.7505 124.0756 52.7259 38.8395 174.0281 36 Y 4.3239 9.1135 124.1262 57.7433 38.7635 177.0595 37 G 2.7639 7.9933 107.6760 44.9410 0.0000 174.1750 *39 Y 4.8344 8.1868 115.2127 57.7289 39.9187 175.7150 40 T 4.7188 7.9841 107.2462 59.6694 71.9878 174.4650 41 A 4.1577 8.5902 124.2795 54.2849 18.4409 178.1216 42 E 4.4647 8.0692 114.0766 55.7082 30.1147 176.1823 43 D 4.4874 7.6645 118.9880 54.8296 41.3668 177.3897 44 K 3.9321 8.8245 122.6033 58.8060 32.2897 176.8214 45 A 4.3680 7.7763 121.6339 50.8597 17.9893 175.6305 46 S 4.6771 8.2522 116.0480 58.0920 63.9518 173.1701 47 L 4.9330 8.4341 125.5205 53.1634 44.8812 175.7385 48 T 4.8869 8.2125 112.4823 59.7584 71.0090 174.2179 49 Y 4.2711 8.4343 119.5213 60.0414 38.2396 178.5090 50 V 3.9513 6.8530 118.6480 63.3718 31.1546 177.2898 *52 N 4.6409 8.4001 117.5075 52.8012 40.6228 177.1685 53 G 3.5470 7.9545 104.4534 47.5979 0.0000 175.5569 54 L 3.9085 7.8247 122.9556 57.7455 42.0482 178.8183 55 L 3.8158 7.7994 119.5673 58.0193 42.1026 178.3948 56 A 3.9933 8.3166 121.2357 55.1781 18.2568 179.8634 57 G 3.5023 8.1119 103.9992 47.8934 0.0000 175.9480 58 I 3.7145 7.7109 122.3884 64.1781 37.1396 178.6345 59 L 4.1066 8.0939 119.9999 57.7855 41.0979 179.6626 60 L 4.2065 8.0252 118.9538 57.9054 41.4165 179.2929 61 N 4.4228 8.0990 115.6671 55.8798 38.7985 177.0994 62 S 4.4273 8.3180 115.2009 58.9621 63.2860 175.9685 63 G 3.8637 7.6027 109.6347 45.2677 0.0000 174.3361 64 A 4.0219 7.9588 121.8621 53.5012 18.5854 178.0228 65 A 4.7688 7.5591 116.9223 50.7378 22.1190 175.5764 66 D 4.8245 9.1582 120.7725 55.5199 42.1695 176.7876 67 F 5.0380 7.9827 119.6266 56.8653 43.1777 172.7489 68 V 4.9235 8.3362 125.1923 61.0990 34.5103 174.0982 69 V 4.9318 9.1665 128.0432 61.9019 33.8586 174.2989 70 T 5.5820 8.5576 122.5714 62.4806 70.9448 172.0970 71 G 4.5734 8.7741 107.2836 45.3307 0.0000 171.6887 *73 G 4.0053 8.1552 107.0842 45.0390 0.0000 174.6102 74 T 4.3170 7.8800 106.9010 60.3578 70.6991 173.5916 75 G 3.3636 7.7455 109.7269 45.9519 0.0000 174.5531 *77 G 2.9631 7.7879 108.7934 45.3711 0.0000 175.8942 78 S 4.4004 7.0061 111.1104 58.6617 61.0966 176.3425 *80 L 4.1684 8.1183 122.2237 54.8716 43.4926 179.2853 81 A 4.1457 8.2692 120.0247 55.0023 18.0235 179.6025 82 A 3.8924 7.9960 118.4548 55.3696 18.6556 179.3136 83 N 4.3509 7.3878 109.5943 54.6105 39.1767 175.7505 84 A 4.2009 7.3614 123.5088 50.4954 19.0603 175.4210 *86 P 3.8812 0.0000 0.0000 64.3102 32.7347 177.4765 87 G 3.9193 8.5965 107.1207 45.9656 0.0000 173.0910 88 V 4.2453 6.7821 118.0662 60.7846 33.1063 175.2693 89 F 4.7532 9.3992 126.4240 55.7735 40.8707 172.6255 90 C 4.8435 9.3289 124.2923 57.4892 32.5846 173.5458 91 G 3.5323 8.5656 114.1459 45.5125 0.0000 171.9413 92 L 4.9440 8.1815 123.0066 53.3605 43.0885 175.4793 93 V 4.1849 7.9762 126.5045 61.5409 32.9803 174.1794 94 I 4.1913 8.8067 127.1636 62.3255 39.3382 175.9522 95 D 4.9991 8.1607 118.2767 50.6877 43.2672 175.1563 96 P 4.2939 0.0000 0.0000 65.9394 31.1105 179.1846 97 T 3.9570 7.9695 114.3263 66.5530 68.4057 176.3854 98 D 4.3536 9.0112 121.2432 57.1741 40.8054 178.7421 99 A 4.0406 7.8767 120.9856 55.0371 18.4438 179.4222 100 F 4.1210 8.4367 119.3161 61.5977 39.4364 177.4157 101 L 3.8095 8.3070 118.8309 57.4092 41.2983 179.2394 102 F 4.5813 7.9460 122.2763 60.8374 39.3543 177.4646 103 G 3.4762 8.2122 105.2741 47.8077 0.0000 175.5310 104 Q 4.0015 7.8424 120.1034 57.6148 28.6185 178.0351 105 I 3.9498 7.7854 119.8287 62.9755 37.9001 176.9814 106 N 4.4696 7.7898 115.6299 52.1627 40.1499 174.3743 107 D 3.9906 7.9035 118.9747 54.9231 40.0629 172.5886 108 G 3.9549 6.4205 107.0034 45.3823 0.0000 172.5380 109 N 5.0198 8.7462 112.9584 51.9906 38.7926 173.7566 110 A 4.5905 7.4764 119.3456 51.0839 22.8354 175.7948 111 I 4.9052 8.8834 113.2149 59.1829 41.3779 174.3551 112 S 5.7209 9.3872 118.8073 54.8717 66.1454 170.5355 *114 P 4.0838 0.0000 0.0000 62.8255 31.7103 175.9243 115 Y 4.0861 8.3537 118.4546 58.0973 39.0345 175.4716 116 S 4.5116 7.9998 113.2774 59.8081 65.3801 173.8934 117 K 4.0835 8.3554 122.2750 57.6604 31.8789 177.1843 118 G 3.8948 8.9319 114.2562 45.7569 0.0000 173.4872 119 F 4.5341 7.9718 123.0020 56.3436 39.0372 176.0706 120 G 4.1910 7.5721 121.6299 43.7127 0.0000 170.8337 121 W 4.5572 9.0031 123.7439 58.5922 29.5404 175.5821 122 A 3.8430 9.0039 122.6862 52.9068 16.0539 178.8058 123 A 3.7559 7.6945 121.3963 55.4968 17.9306 180.2235 124 E 4.0992 7.8605 115.3204 59.0169 29.8203 179.1266 125 L 4.0247 7.8684 120.6806 57.5486 41.7727 178.5801 126 N 4.2860 8.0148 116.5375 56.3409 38.7778 176.7506 127 L 3.6543 7.6004 120.5844 57.8070 41.6773 179.3987 128 Q 4.0799 7.6623 117.8743 59.1786 28.4418 178.5502 129 D 4.3486 7.8591 118.6600 57.5543 41.1582 179.0242 130 V 3.7019 7.7128 118.5335 66.1778 31.5675 177.7099 131 Y 4.3084 7.8801 116.8170 61.2933 37.4878 178.9102 132 R 4.1358 8.2573 118.2273 58.8593 30.1914 178.7520 133 K 4.2444 7.8985 117.5403 58.4657 32.2132 178.4748 134 L 4.2272 7.4608 117.6590 55.3826 42.1060 177.1938 135 F 4.9756 7.5925 114.5121 56.8737 39.5027 174.5044 136 D 4.6653 8.2326 120.1702 54.8789 42.8549 175.5370 137 G 4.0906 8.9252 112.4227 44.6592 0.0000 172.3309 138 E 4.0945 8.3829 118.4937 56.4739 30.0771 177.6295 139 R 4.2759 8.0806 121.2128 56.4175 33.1472 176.3952 140 G 3.7881 7.9237 103.8518 47.8194 0.0000 174.1807 141 L 4.4710 8.2213 117.4089 53.6290 43.7328 178.1947 142 G 4.1343 9.2209 105.1089 46.0722 0.0000 172.7919 143 Y 4.3776 7.8634 116.8831 55.6580 41.8550 172.4124 144 P 3.3201 0.0000 0.0000 62.1942 32.2337 177.5683 145 R 3.9532 8.1726 119.3877 58.6832 30.1697 178.6456 146 E 4.0441 8.0161 114.9131 58.2939 29.6257 177.7224 147 R 4.5213 8.0500 117.8072 55.7493 30.8345 177.3238 148 A 3.9551 7.9210 123.8274 55.5715 18.7866 180.0492 149 E 4.0651 8.2925 114.7395 59.9291 29.8209 179.6880 150 I 3.3277 7.1311 117.6946 62.4766 37.6970 177.7182 *152 R 4.1342 8.0543 122.9226 56.2497 31.8246 177.5212 153 K 3.9558 8.0120 118.4409 59.5335 32.0380 178.6670 154 N 4.3716 8.3994 116.9628 56.2351 38.4167 177.6303 155 R 3.8815 7.9555 119.3434 59.0662 30.2934 179.1650 156 G 3.5508 7.8132 105.7592 47.8032 0.0000 175.9415 157 I 3.7704 7.6614 122.2604 63.8145 37.0464 178.2896 158 L 3.9640 8.1165 121.4882 58.3255 41.9549 179.1939 159 R 4.1825 7.9333 117.9204 59.4802 29.7176 178.9623 160 E 4.0339 7.9155 117.1839 59.0380 29.8828 178.7765 161 L 4.1060 8.0257 120.5380 58.1277 42.2523 179.0067 162 K 4.2102 8.5510 121.3152 59.0615 31.8758 178.3698 163 D 4.5393 7.9558 118.3912 57.3189 40.7514 178.3213 164 A 4.1879 7.6986 120.4075 54.4991 18.6081 179.3462 165 S 4.2792 7.8487 112.2327 59.9303 63.8948 173.9524 166 C 4.6001 7.8800 119.6232 57.6573 29.2961 174.0238 167 R 4.2942 8.2650 122.9528 55.6112 31.6664 179.3680 168 D 4.7396 8.0606 118.8298 52.8243 39.0182 178.5533 *170 L 4.1412 8.6345 115.8066 55.1508 43.3442 178.7569 171 T 3.8220 7.9449 114.9819 66.3489 68.1292 176.9350 172 V 3.5470 7.6479 120.1204 66.0487 31.3745 178.0981 173 L 3.9489 7.7310 116.8728 57.6652 41.5640 179.0423 174 K 4.0355 7.8818 118.1914 57.1306 32.1865 177.5768 175 T 4.4850 7.0921 106.6348 60.9990 70.3085 174.8768 176 V 3.7767 7.7432 122.1261 60.7673 32.4304 175.8836 177 D 4.3070 8.6214 119.2422 55.4842 41.8116 177.4705 178 Q 4.1078 8.7236 125.6990 58.8491 28.9226 178.1658 179 D 4.3170 8.1608 119.7789 56.8978 40.8720 178.3158 180 L 3.8830 8.2322 121.1811 57.8143 41.8737 178.7058 181 L 3.8537 7.7341 119.9421 58.3697 41.8814 179.1354 182 R 3.7996 7.8964 116.3908 59.2150 30.3613 178.6507 183 A 4.0446 8.1705 120.4163 55.0055 18.1376 179.5534 184 A 3.9676 7.8663 118.7151 54.0936 18.3778 178.3346 185 I 3.4503 6.7173 108.1231 60.4055 37.5526 176.2120 186 A 4.1974 7.5469 122.4172 52.8287 18.7903 178.9232 187 G 3.9565 7.9429 106.2790 45.3788 0.0000 174.6662 188 E 3.9814 9.1076 120.8722 58.4888 29.8195 177.9476 189 K 4.5644 8.0936 116.5230 55.9430 33.1604 177.2490 190 F 4.2191 8.8889 123.7698 61.6078 39.2804 177.0881 191 A 4.3370 8.3507 119.7773 55.3609 18.0819 179.0843 192 E 3.9971 8.1734 116.4348 59.2088 29.8705 178.4153 193 L 4.1967 7.6494 118.2430 56.9450 41.9623 178.5464 194 F 4.1970 8.0954 120.6926 60.9880 39.1541 177.1973 195 Y 3.8266 7.5381 115.9727 60.5513 37.5422 176.9126 196 P 4.4605 0.0000 0.0000 64.2286 31.7375 176.3846 197 N 4.7273 7.9115 114.7532 52.7197 40.1987 174.0359 198 C 3.8899 7.0409 118.3930 59.0705 31.8351 173.2059 199 K 4.2456 8.8922 125.4751 56.3824 32.9584 176.5473 200 D 4.7397 7.5945 118.9624 52.4796 41.6160 175.6397 201 D 4.4528 8.5467 127.6264 57.0322 40.9676 178.3977 202 A 4.0630 8.1307 121.1279 55.0482 18.4313 179.6484 203 I 3.7828 8.3731 118.1500 64.4748 37.3060 178.2403 204 A 4.5252 8.2631 121.6479 55.8476 18.0496 179.5872 205 N 4.4515 8.3938 113.3802 56.2776 38.8353 176.9176 206 Y 4.1827 7.9715 120.8887 60.6492 38.8249 177.6210 207 L 4.0859 8.3668 120.0076 57.9292 41.5606 179.7523 208 R 3.9973 8.3232 118.2752 58.9822 29.7627 178.6915 209 S 4.1364 7.5762 112.2155 60.0172 63.3611 175.9652 210 L 3.9560 7.3485 122.4340 56.8577 41.3463 176.5491 211 D 4.4931 7.3727 122.7114 54.2764 40.9800 176.0870 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 Q 8.33 4.43 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 0 G 8.28 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 2 K 9.14 4.85 0.00 1.63 1.64 0.00 1.61 0.00 0.00 1.52 0.00 0.00 2.74 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.61 1.50 7.81 3 I 9.38 5.04 1.74 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.44 0.88 0.00 0.00 4 A 9.13 5.41 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 L 9.15 5.33 0.00 1.82 1.58 1.05 1.28 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 6 I 8.85 5.12 1.90 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.93 0.97 0.00 0.00 7 I 8.74 4.93 1.78 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.73 0.82 0.00 0.00 8 E 8.72 4.52 0.00 2.41 2.32 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 2.52 2.43 0.00 9 N 8.84 4.39 0.00 2.97 3.22 0.00 0.00 7.18 7.15 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 10 S 8.76 4.15 0.00 4.01 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 11 Q 8.14 4.53 0.00 2.11 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.76 0.00 0.00 0.00 0.00 0.00 2.52 2.57 0.00 12 A 7.88 3.96 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 13 A 7.95 4.11 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 14 K 8.22 4.33 0.00 1.76 1.62 0.00 1.60 0.00 0.00 1.18 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.40 1.32 7.81 15 N 8.17 4.16 0.00 2.69 3.02 0.00 0.00 7.01 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 16 A 7.95 4.06 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 17 V 7.74 3.58 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 1.20 0.00 0.00 1.01 0.00 0.00 18 V 7.91 3.69 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 1.02 0.00 0.00 0.50 0.00 0.00 19 H 8.63 4.23 0.00 3.31 3.51 0.00 5.66 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 20 E 8.31 3.87 0.00 2.19 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 2.33 2.33 0.00 21 A 8.16 4.14 1.62 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 22 L 8.29 3.72 0.00 1.72 1.80 0.20 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.37 3.83 4.33 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 1.12 0.00 0.00 24 T 7.83 3.86 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 1.30 0.00 0.00 25 V 7.67 4.04 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 1.25 0.00 0.00 1.12 0.00 0.00 26 A 8.25 4.10 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 27 E 8.13 4.12 0.00 2.14 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 2.39 2.15 0.00 28 P 0.00 4.28 0.00 2.05 2.12 0.00 3.75 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 2.17 2.11 0.00 29 L 7.12 4.20 0.00 1.82 1.65 1.14 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.47 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 7.86 4.87 0.00 3.09 3.05 0.00 5.58 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 32 K 8.48 4.58 0.00 1.86 1.18 0.00 1.50 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.31 7.81 33 V 8.02 4.81 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 0.85 0.00 0.00 0.82 0.00 0.00 34 F 9.61 4.61 0.00 3.11 2.81 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 35 N 8.75 4.94 0.00 2.42 2.76 0.00 0.00 7.25 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 36 Y 9.11 4.32 0.00 3.06 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 37 G 7.99 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 0.00 0.00 0.00 *39 Y 8.19 4.83 0.00 3.05 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 40 T 7.98 4.72 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 1.29 0.00 0.00 41 A 8.59 4.16 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 42 E 8.07 4.46 0.00 1.97 2.01 0.00 0.00 0.00 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0.00 1.83 1.94 0.00 115 Y 8.35 4.09 0.00 2.79 2.40 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 0.00 116 S 8.00 4.51 0.00 4.00 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 0.00 117 K 8.36 4.08 0.00 1.66 1.72 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.39 7.81 118 G 8.93 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 0.00 119 F 7.97 4.53 0.00 3.07 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 0.00 120 G 7.57 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 0.00 0.00 0.00 0.00 121 W 9.00 4.56 0.00 3.20 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 0.00 122 A 9.00 3.84 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 0.00 123 A 7.69 3.76 0.15 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 0.00 124 E 7.86 4.10 0.00 2.27 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 2.37 2.37 0.00 125 L 7.87 4.02 0.00 1.85 1.72 0.88 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 126 N 8.01 4.29 0.00 2.77 2.91 0.00 0.00 7.21 6.66 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 0.00 127 L 7.60 3.65 0.00 1.81 1.31 1.27 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.66 4.08 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.75 0.00 0.00 0.00 0.00 0.00 2.68 2.65 0.00 129 D 7.86 4.35 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 0.00 130 V 7.71 3.70 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 1.02 0.00 0.00 0.92 0.00 0.00 131 Y 7.88 4.31 0.00 3.26 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 0.00 132 R 8.26 4.14 0.00 1.95 2.05 0.00 3.20 0.00 0.00 3.28 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.96 0.00 133 K 7.90 4.24 0.00 1.91 2.00 0.00 1.76 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.73 1.90 7.81 134 L 7.46 4.23 0.00 0.43 0.55 0.82 0.95 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 0.00 135 F 7.59 4.98 0.00 3.12 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 0.00 136 D 8.23 4.67 0.00 2.65 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 0.00 137 G 8.93 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 0.00 0.00 0.00 138 E 8.38 4.09 0.00 1.99 1.91 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 2.34 2.36 0.00 139 R 8.08 4.28 0.00 1.82 2.08 0.00 3.54 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 140 G 7.92 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 0.00 0.00 0.00 141 L 8.22 4.47 0.00 1.74 1.68 1.02 0.94 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 0.00 142 G 9.22 4.13 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 0.00 143 Y 7.86 4.38 0.00 3.03 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 0.00 144 P 0.00 3.32 0.00 2.06 1.84 0.00 3.83 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 2.02 1.97 0.00 145 R 8.17 3.95 0.00 1.77 1.98 0.00 3.28 0.00 0.00 3.45 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.57 0.00 146 E 8.02 4.04 0.00 2.29 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 2.27 1.90 0.00 147 R 8.05 4.52 0.00 1.85 1.91 0.00 3.14 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 148 A 7.92 3.96 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.29 4.07 0.00 1.99 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 2.38 2.26 0.00 150 I 7.13 3.33 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 1.17 0.56 0.90 0.00 0.00 *152 R 8.05 4.13 0.00 1.83 1.93 0.00 3.15 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 153 K 8.01 3.96 0.00 1.87 1.90 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 154 N 8.40 4.37 0.00 2.83 2.82 0.00 0.00 7.03 7.39 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 0.00 155 R 7.96 3.88 0.00 1.90 1.79 0.00 3.02 0.00 0.00 3.33 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 156 G 7.81 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 7.66 3.77 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 1.40 0.81 0.91 0.00 0.00 158 L 8.12 3.96 0.00 1.78 1.81 1.04 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 159 R 7.93 4.18 0.00 2.00 2.00 0.00 3.14 0.00 0.00 2.92 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.58 0.00 160 E 7.92 4.03 0.00 2.14 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 2.35 2.49 0.00 161 L 8.03 4.11 0.00 1.87 1.91 0.94 0.20 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 0.00 162 K 8.55 4.21 0.00 2.07 1.97 0.00 1.54 0.00 0.00 1.25 0.00 0.00 2.73 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.32 7.81 163 D 7.96 4.54 0.00 2.95 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 0.00 164 A 7.70 4.19 1.34 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 0.00 0.00 165 S 7.85 4.28 0.00 4.05 4.12 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 0.00 0.00 0.00 166 C 7.88 4.60 0.00 2.98 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 0.00 167 R 8.26 4.29 0.00 1.77 1.83 0.00 3.19 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 168 D 8.06 4.74 0.00 2.81 2.40 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 *170 L 8.63 4.14 0.00 1.75 1.89 0.83 0.74 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 0.00 171 T 7.94 3.82 4.36 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 1.16 0.00 0.00 172 V 7.65 3.55 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 1.08 0.00 0.00 0.91 0.00 0.00 173 L 7.73 3.95 0.00 1.61 1.74 0.98 0.89 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 0.00 174 K 7.88 4.04 0.00 1.68 1.70 0.00 1.42 0.00 0.00 1.46 0.00 0.00 2.95 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.67 0.80 7.81 175 T 7.09 4.49 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 1.18 0.00 0.00 176 V 7.74 3.78 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 0.70 0.00 0.00 0.90 0.00 0.00 177 D 8.62 4.31 0.00 2.70 2.59 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 0.00 178 Q 8.72 4.11 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 179 D 8.16 4.32 0.00 2.82 2.68 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 0.00 180 L 8.23 3.88 0.00 1.72 1.83 0.84 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 181 L 7.73 3.85 0.00 1.82 1.80 0.86 0.99 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 0.00 182 R 7.90 3.80 0.00 1.90 1.92 0.00 3.18 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 183 A 8.17 4.04 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 0.00 184 A 7.87 3.97 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 I 6.72 3.45 0.56 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.33 0.26 0.00 0.00 186 A 7.55 4.20 1.34 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 0.00 0.00 187 G 7.94 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 0.00 188 E 9.11 3.98 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 189 K 8.09 4.56 0.00 1.87 1.83 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.74 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.19 7.81 190 F 8.89 4.22 0.00 3.22 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 A 8.35 4.34 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 E 8.17 4.00 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 193 L 7.65 4.20 0.00 1.39 1.23 0.46 0.81 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 0.00 194 F 8.10 4.20 0.00 2.27 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 0.00 0.00 0.00 195 Y 7.54 3.83 0.00 3.21 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 P 0.00 4.46 0.00 2.03 2.11 0.00 3.53 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.14 0.00 197 N 7.91 4.73 0.00 2.47 2.52 0.00 0.00 6.49 7.89 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 0.00 198 C 7.04 3.89 0.00 1.64 2.34 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 0.00 199 K 8.89 4.25 0.00 1.80 1.79 0.00 1.70 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.43 7.81 200 D 7.59 4.74 0.00 2.70 2.60 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 0.00 201 D 8.55 4.45 0.00 2.76 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 0.00 202 A 8.13 4.06 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 203 I 8.37 3.78 2.15 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 1.52 0.66 1.14 0.00 0.00 204 A 8.26 4.53 1.61 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 0.00 205 N 8.39 4.45 0.00 2.87 2.96 0.00 0.00 7.07 7.74 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 0.00 206 Y 7.97 4.18 0.00 3.16 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 0.00 207 L 8.37 4.09 0.00 2.18 1.84 0.82 0.86 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 0.00 208 R 8.32 4.00 0.00 2.13 1.94 0.00 3.33 0.00 0.00 3.11 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.73 0.00 209 S 7.58 4.14 0.00 3.95 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 0.00 210 L 7.35 3.96 0.00 1.56 1.68 0.84 0.76 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 0.00 211 D 7.37 4.49 0.00 2.74 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.