NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4454 8.3349 115.4131 57.8386 64.3233 173.7918 2 K 3.9680 7.8163 119.0014 57.5296 33.0635 176.1086 3 T 4.2034 8.4709 117.7947 65.4061 70.6801 175.5203 4 N 4.3489 7.9765 120.3482 53.2128 39.7810 173.6331 5 P 4.3114 0.0000 0.0000 65.5015 31.4644 178.8992 6 R 3.8612 8.5472 117.4722 59.1880 30.1410 178.4521 7 L 3.9535 8.1565 119.5298 58.3710 41.8841 178.8910 8 S 4.0606 8.0508 112.7907 61.5988 62.3576 176.2632 9 S 4.0925 8.0471 117.7091 61.5900 62.5983 176.0792 10 L 3.8442 8.4800 123.0763 58.5033 41.8600 178.8084 11 I 3.6523 7.9481 118.9810 64.7620 37.1652 178.2578 12 A 4.0263 7.9512 121.1546 55.2216 18.1922 179.4900 13 D 4.2732 8.4262 117.9217 57.4328 40.8804 178.9016 14 L 3.8752 8.4304 119.8589 57.5526 41.4992 179.8956 15 K 3.9885 7.8922 118.2237 59.4694 32.0073 179.1397 16 S 4.0750 8.0386 113.2265 61.5711 62.3453 176.1775 17 A 4.0422 8.1757 123.0416 55.1436 17.8655 179.5080 18 A 4.1717 7.9514 118.5571 55.1050 18.5071 179.7387 19 R 4.1374 8.0251 116.0194 59.3228 30.4299 179.0407 20 S 4.2875 8.2770 114.3417 61.7274 63.2954 175.8152 21 S 4.4372 8.0479 116.0039 58.7915 63.4144 174.7190 22 G 4.0018 8.4874 108.6866 45.6453 0.0000 173.9209 23 G 3.7617 7.8324 108.9312 44.7493 0.0000 173.6084 24 A 4.6269 7.8885 117.8684 51.0202 20.9655 178.9464 25 V 3.5540 7.5063 109.4797 64.0551 31.5960 178.2975 26 W 5.0384 7.7459 118.4163 60.1720 28.9153 178.6569 27 G 3.7463 8.2145 104.7409 47.1819 0.0000 175.3457 28 D 4.2694 7.9349 120.3513 57.5115 41.3326 178.4317 29 V 3.6385 8.7954 119.7480 65.9125 31.4369 177.6834 30 A 4.0170 8.2117 120.5937 55.2161 17.9476 179.5277 31 E 4.1754 7.6709 117.2092 59.1666 29.7970 179.3230 32 R 4.0450 7.9258 118.2442 59.2502 29.8814 178.5070 33 L 3.8132 7.9187 118.2504 57.3658 41.3528 178.8521 34 E 4.1736 8.0016 118.1585 57.8166 29.3001 177.4481 35 K 4.2212 7.0060 117.4972 54.8324 33.0751 174.9085 36 P 4.2353 0.0000 0.0000 63.1117 31.8053 177.7851 37 R 3.5238 8.7351 121.1351 59.3056 30.1510 179.1542 38 R 3.9752 7.8740 113.0828 58.7729 29.6363 177.7252 39 T 4.1373 8.0056 108.7893 63.8008 69.3910 175.0951 40 H 4.1926 7.5532 118.3501 55.9101 29.4841 174.5702 41 A 4.2163 8.0846 122.3392 52.3250 19.5758 176.9529 42 E 4.8549 8.6781 120.2173 54.5843 31.4596 174.5622 43 V 4.4764 8.5355 123.5458 61.0266 34.8973 174.1335 44 N 5.6854 8.3159 122.1648 51.0195 41.2409 176.0634 45 L 4.0691 8.7563 120.2353 58.2383 41.5004 179.8886 46 G 3.8793 7.9176 105.1078 48.1977 0.0000 175.3934 47 R 3.8455 7.9287 119.8441 58.8160 30.2272 178.6359 48 I 3.8116 7.5654 119.4790 64.2287 37.0156 177.6917 49 E 3.9376 8.1637 119.3202 59.1144 29.4348 178.4105 50 R 3.9554 7.1342 117.4340 57.7927 30.2040 176.2709 51 Y 4.8320 7.3174 112.2422 57.3379 39.2413 175.0879 52 A 4.7819 7.8288 123.1979 50.6751 20.6767 176.9183 53 Q 4.5932 8.1063 116.6277 53.8566 31.7384 174.6985 54 E 3.8557 8.7994 119.9373 58.3365 29.9903 176.5643 55 D 4.3948 8.8690 119.1266 54.9470 38.3789 173.2386 56 E 4.6954 7.7766 119.4510 54.3435 31.9650 175.6300 57 T 4.1613 8.5664 125.3315 63.8980 69.7882 173.9345 58 V 4.3193 8.7982 127.8716 62.4331 33.0575 174.7264 59 V 4.8869 8.9315 128.3329 61.1780 34.0549 174.1277 60 V 4.8094 9.1096 129.0797 59.1022 32.9762 174.3988 61 P 4.7879 0.0000 0.0000 61.1098 31.0119 175.6966 62 G 4.1084 7.4368 118.8033 47.1854 0.0000 176.4263 63 K 4.9917 9.2454 127.0433 54.2136 35.9128 173.4769 64 V 4.6732 8.1580 126.2015 61.5281 33.6483 174.5770 65 L 5.0452 9.4108 128.0206 52.2981 45.1965 176.8089 66 G 4.0871 8.5683 107.1166 47.1121 0.0000 173.5290 67 S 4.6043 8.2344 116.9104 58.3849 64.8547 175.9287 68 G 4.1007 8.8867 110.3395 44.3768 0.0000 172.1716 69 V 4.3848 7.9978 116.9397 60.6918 34.1745 175.1859 70 L 4.8837 8.5101 127.6073 53.4799 44.1827 175.3446 71 Q 4.4903 10.3945 125.1532 56.9480 30.8887 176.9147 72 K 3.9273 8.2182 115.8417 57.1318 32.7774 176.8601 73 D 5.5197 8.5212 123.1098 52.6139 40.3745 174.7321 74 V 4.7644 7.8516 115.5383 59.1581 36.1750 174.2385 75 T 4.8240 8.3962 119.8398 62.6438 70.1715 173.7072 76 V 4.9399 8.8421 126.9896 60.9922 34.2999 174.0363 77 A 5.9400 9.7126 129.6192 49.6178 21.0549 174.8491 78 A 5.1954 8.5479 122.5127 48.9252 22.1096 175.9722 79 V 3.6556 8.3370 119.2925 66.2539 32.2037 175.4007 80 D 4.6299 7.1606 116.9751 53.6660 44.4538 174.3268 81 F 5.4004 8.8181 119.6560 55.3419 43.0184 175.2130 82 S 4.3775 8.9442 116.7407 57.9897 63.7390 175.5645 83 G 3.7372 8.8936 107.6201 48.2894 0.0000 176.0942 84 T 4.0887 7.9085 117.2089 66.0893 68.5961 176.6621 85 A 4.0200 8.0778 122.7918 55.3727 18.4369 179.3686 86 E 3.7029 8.2918 117.6082 59.4005 29.3149 179.3420 87 T 3.8298 7.2145 113.9123 66.4926 69.0740 176.5102 88 K 4.3483 8.1491 121.9154 59.0185 32.0474 179.4044 89 I 3.7389 8.0303 120.1629 64.5267 36.9068 177.8317 90 D 4.7768 7.5250 117.6636 55.4121 40.6513 177.9035 91 Q 4.2766 7.9237 118.8426 57.4856 28.8449 177.2204 92 V 4.6816 7.3861 109.6708 60.4712 34.6235 174.1945 93 G 4.5212 8.1669 110.7474 45.1310 0.0000 174.1689 94 E 5.0683 9.1372 126.4702 54.8505 33.1708 173.9236 95 A 4.7003 9.3532 130.3093 51.0677 19.6387 176.5291 96 V 4.5824 9.1802 122.4326 60.9344 35.8332 175.0901 97 S 5.0925 8.5532 119.1388 57.4771 64.6211 175.2311 98 L 3.9321 8.5176 121.9350 58.1125 41.1385 179.4667 99 E 4.0447 8.1663 117.0161 59.3402 29.5232 179.1909 100 Q 4.0934 7.6424 117.1392 58.6227 29.0151 177.8034 101 A 4.0464 7.8451 121.7214 55.6514 18.4097 179.7254 102 I 2.9727 7.8573 118.0991 63.8128 36.7103 178.0529 103 E 4.1527 8.0651 119.6664 58.7954 29.9369 177.8156 104 N 4.6094 8.0635 114.3300 55.0205 40.2406 175.0824 105 N 5.1561 8.5224 119.1746 51.2201 39.4645 172.7148 106 P 4.7016 0.0000 0.0000 65.3487 31.8369 178.0742 107 E 4.1506 8.4673 115.3484 56.2233 29.7071 177.0756 108 G 3.4296 8.2120 104.3227 46.0516 0.0000 172.4488 109 S 4.5761 8.2880 117.2632 57.4519 66.6563 174.5363 110 H 4.4939 8.4118 114.7159 56.7293 26.2049 174.3730 111 V 4.8072 7.0078 117.2543 60.0792 33.5599 175.1826 112 R 4.4945 9.1037 123.3445 54.3349 32.5647 174.6526 113 V 4.3064 8.4391 127.2772 63.0728 31.9686 175.2104 114 I 4.8604 8.9210 128.0580 59.4708 41.4065 175.8756 115 R 4.1807 8.4073 121.3119 56.4917 29.4638 174.7810 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 S 8.33 4.45 0.00 3.99 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 2 K 7.82 3.97 0.00 1.85 1.80 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.46 1.48 7.81 3 T 8.47 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 1.21 0.00 0.00 4 N 7.98 4.35 0.00 2.75 2.72 0.00 0.00 7.21 7.71 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 5 P 0.00 4.31 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.55 3.86 0.00 1.92 1.96 0.00 3.15 0.00 0.00 3.10 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 7 L 8.16 3.95 0.00 1.75 1.69 0.92 0.84 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 8 S 8.05 4.06 0.00 4.02 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 9 S 8.05 4.09 0.00 4.04 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.48 3.84 0.00 1.67 1.84 0.83 1.18 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 11 I 7.95 3.65 2.05 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 1.45 1.15 0.92 0.00 0.00 12 A 7.95 4.03 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 D 8.43 4.27 0.00 2.74 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.43 3.88 0.00 1.80 1.92 0.91 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.89 3.99 0.00 2.05 1.87 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.66 7.81 16 S 8.04 4.07 0.00 3.90 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 17 A 8.18 4.04 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 18 A 7.95 4.17 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.03 4.14 0.00 1.82 2.01 0.00 3.19 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.84 0.00 20 S 8.28 4.29 0.00 3.90 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 21 S 8.05 4.44 0.00 4.19 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 22 G 8.49 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 23 G 7.83 3.76 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 24 A 7.89 4.63 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 25 V 7.51 3.55 1.72 0.00 0.00 0.00 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 -0.15 0.00 0.00 26 W 7.75 5.04 0.00 3.33 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 27 G 8.21 3.75 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 0.00 0.00 0.00 28 D 7.93 4.27 0.00 3.08 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 29 V 8.80 3.64 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 1.02 0.00 0.00 1.12 0.00 0.00 30 A 8.21 4.02 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 7.67 4.18 0.00 2.16 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 2.36 2.19 0.00 32 R 7.93 4.04 0.00 1.95 2.04 0.00 3.17 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 33 L 7.92 3.81 0.00 1.77 1.68 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.00 4.17 0.00 2.27 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 2.34 2.36 0.00 35 K 7.01 4.22 0.00 2.00 1.78 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.49 1.60 7.81 36 P 0.00 4.24 0.00 2.15 1.97 0.00 3.63 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 37 R 8.74 3.52 0.00 1.79 1.92 0.00 3.10 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 38 R 7.87 3.98 0.00 1.90 2.05 0.00 3.02 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 39 T 8.01 4.14 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 40 H 7.55 4.19 0.00 3.22 3.28 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.08 4.22 1.24 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 0.00 0.00 42 E 8.68 4.85 0.00 1.80 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 43 V 8.54 4.48 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 1.01 0.00 0.00 0.94 0.00 0.00 44 N 8.32 5.69 0.00 2.69 2.93 0.00 0.00 7.61 6.74 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 45 L 8.76 4.07 0.00 1.85 1.74 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.92 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.93 3.85 0.00 1.92 1.97 0.00 3.22 0.00 0.00 3.36 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.82 0.00 48 I 7.57 3.81 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.92 0.96 0.00 0.00 49 E 8.16 3.94 0.00 1.98 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 2.38 2.31 0.00 50 R 7.13 3.96 0.00 1.74 1.28 0.00 2.36 0.00 0.00 2.95 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 1.34 0.00 51 Y 7.32 4.83 0.00 3.01 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 52 A 7.83 4.78 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 53 Q 8.11 4.59 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.92 0.00 0.00 0.00 0.00 0.00 2.56 2.38 0.00 54 E 8.80 3.86 0.00 1.98 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 2.54 2.37 0.00 55 D 8.87 4.39 0.00 2.83 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 56 E 7.78 4.70 0.00 1.95 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 2.23 2.39 0.00 57 T 8.57 4.16 4.31 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 1.33 0.00 0.00 58 V 8.80 4.32 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 0.89 0.00 0.00 0.99 0.00 0.00 59 V 8.93 4.89 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 1.12 0.00 0.00 1.14 0.00 0.00 60 V 9.11 4.81 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 1.04 0.00 0.00 0.93 0.00 0.00 61 P 0.00 4.79 0.00 2.13 2.24 0.00 3.94 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.97 0.00 62 G 7.44 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 9.25 4.99 0.00 1.70 1.54 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.26 1.34 7.81 64 V 8.16 4.67 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 1.04 0.00 0.00 0.76 0.00 0.00 65 L 9.41 5.05 0.00 1.75 1.53 0.93 0.78 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 66 G 8.57 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 67 S 8.23 4.60 0.00 4.03 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 68 G 8.89 4.10 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 0.00 69 V 8.00 4.38 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.51 4.88 0.00 1.59 1.51 0.98 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 10.39 4.49 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.55 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 72 K 8.22 3.93 0.00 1.75 1.77 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.45 1.77 7.81 73 D 8.52 5.52 0.00 2.83 2.56 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 0.00 74 V 7.85 4.76 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 0.95 0.00 0.00 1.01 0.00 0.00 75 T 8.40 4.82 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 1.26 0.00 0.00 76 V 8.84 4.94 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 1.11 0.00 0.00 1.02 0.00 0.00 77 A 9.71 5.94 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 78 A 8.55 5.20 0.50 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 0.00 0.00 0.00 79 V 8.34 3.66 2.14 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 0.71 0.00 0.00 0.88 0.00 0.00 80 D 7.16 4.63 0.00 2.78 2.38 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 81 F 8.82 5.40 0.00 2.86 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.94 4.38 0.00 3.95 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 83 G 8.89 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 84 T 7.91 4.09 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 1.23 0.00 0.00 85 A 8.08 4.02 1.51 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 0.00 0.00 86 E 8.29 3.70 0.00 1.99 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 2.17 2.03 0.00 87 T 7.21 3.83 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 88 K 8.15 4.35 0.00 1.93 1.87 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.55 7.81 89 I 8.03 3.74 1.89 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.77 0.91 0.00 0.00 90 D 7.53 4.78 0.00 2.65 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 91 Q 7.92 4.28 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.69 0.00 0.00 0.00 0.00 0.00 2.35 2.69 0.00 92 V 7.39 4.68 2.22 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 0.80 0.00 0.00 0.96 0.00 0.00 93 G 8.17 4.52 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 0.00 94 E 9.14 5.07 0.00 2.04 1.75 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 2.17 2.23 0.00 95 A 9.35 4.70 0.60 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 0.00 0.00 96 V 9.18 4.58 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 1.13 0.00 0.00 0.98 0.00 0.00 97 S 8.55 5.09 0.00 4.19 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 98 L 8.52 3.93 0.00 1.69 1.59 0.98 0.89 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 99 E 8.17 4.04 0.00 1.87 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 2.28 2.41 0.00 100 Q 7.64 4.09 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 101 A 7.85 4.05 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 0.00 102 I 7.86 2.97 1.52 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 -0.27 0.40 0.58 0.00 0.00 103 E 8.07 4.15 0.00 1.86 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 2.27 2.32 0.00 104 N 8.06 4.61 0.00 2.78 2.91 0.00 0.00 6.58 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 8.52 5.16 0.00 2.78 3.01 0.00 0.00 6.75 8.56 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 0.00 106 P 0.00 4.70 0.00 2.31 2.25 0.00 3.51 0.00 0.00 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.02 0.00 107 E 8.47 4.15 0.00 2.00 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 2.33 2.39 0.00 108 G 8.21 3.43 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 0.00 109 S 8.29 4.58 0.00 3.92 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 0.00 110 H 8.41 4.49 0.00 3.36 3.39 0.00 5.59 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.01 4.81 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 0.42 0.00 0.00 0.89 0.00 0.00 112 R 9.10 4.49 0.00 2.11 1.82 0.00 3.13 0.00 0.00 3.08 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 113 V 8.44 4.31 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 0.82 0.00 0.00 0.89 0.00 0.00 114 I 8.92 4.86 1.92 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 1.51 1.37 1.00 0.00 0.00 115 R 8.41 4.18 0.00 1.85 1.81 0.00 3.06 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.61 0.00