NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2065 8.1727 122.0558 56.3020 34.0300 173.9477 2 V 4.4395 8.3009 127.8451 61.2217 31.9983 174.7817 3 F 4.2583 9.2490 128.0379 57.2542 40.0094 175.5585 4 G 3.7664 8.9817 109.6531 46.0936 0.0000 174.4594 5 R 3.2105 8.8808 121.1029 59.6949 29.9885 178.7588 6 C 4.1245 7.9419 115.6016 62.5816 28.1996 175.3199 7 E 3.9694 8.2214 120.5478 59.4513 29.0761 178.6490 8 L 3.5377 8.0661 120.0668 57.6230 42.1120 178.2904 9 A 3.9165 8.1085 121.0291 55.4290 18.1939 179.5107 10 A 3.9114 8.0227 118.6446 55.2525 18.4421 179.7927 11 A 3.9132 7.7998 118.8788 55.5969 18.4207 179.8534 12 M 3.8741 8.2443 117.6123 58.0462 31.8956 179.0265 13 K 3.8563 8.1287 120.0164 59.5217 32.2265 178.8027 14 R 3.8340 7.8691 117.7807 59.6453 30.0155 177.3363 15 H 4.4136 7.9578 113.2315 55.8884 28.8833 175.9558 16 G 3.8383 7.8653 109.2126 45.7834 0.0000 174.8522 17 L 3.6001 7.8619 121.3924 55.8703 41.8818 176.5365 18 D 4.7561 7.9890 118.5337 55.1183 41.3586 174.6277 19 N 4.3591 9.3146 125.0881 54.3677 38.3764 172.7164 20 Y 4.4656 8.3068 117.8161 58.3308 38.9448 175.9647 21 R 3.3742 9.2000 126.2294 57.2244 27.8481 177.2366 22 G 3.7737 8.2283 103.5044 45.7806 0.0000 173.5631 23 Y 4.5700 7.7957 118.5191 55.9537 39.1791 175.5677 24 S 4.5848 8.8803 120.9756 58.7791 63.9459 174.8183 25 L 4.1500 8.9893 127.0340 58.8447 42.1201 179.6155 26 G 4.1876 8.5313 104.5243 48.2529 0.0000 174.7867 27 N 4.4813 8.2864 118.5642 56.2432 38.6353 177.5698 28 W 3.7732 7.9835 120.0393 59.3061 29.0822 178.8922 29 V 3.5224 7.7841 117.8542 66.1386 31.1399 178.3274 30 C 2.8791 8.0862 118.1360 59.1325 43.9520 175.3068 31 A 3.9663 8.0330 122.1160 55.3049 17.9554 179.5718 32 A 4.2286 7.7098 120.3986 54.3396 18.3656 179.7396 33 K 2.7072 7.5563 118.1936 59.5227 31.9908 179.1197 34 F 4.2991 7.2232 115.6184 59.7493 38.9091 177.6378 35 E 4.2873 8.2442 118.5918 58.7053 29.8963 177.7630 36 S 4.5122 7.8858 109.3137 56.4379 64.8421 173.0419 37 N 3.8912 8.5948 118.8050 54.9534 37.7014 173.9704 38 F 4.0085 7.6728 110.8667 58.1176 37.2137 174.4859 39 N 5.1953 7.8328 120.6668 52.5807 38.9876 176.0894 40 T 4.0346 8.9955 117.6324 64.3930 69.1007 175.7432 41 Q 4.4410 8.0870 118.9133 55.5788 29.2740 175.5818 42 A 4.2633 7.6762 121.7978 52.7813 19.5210 177.2979 43 T 4.9303 8.2113 116.6086 62.1097 73.0638 173.1798 44 N 4.8207 8.7653 123.9066 52.1883 42.4607 173.3673 45 R 4.4000 8.6734 125.8852 56.0653 31.2463 175.8773 46 N 5.1057 9.0253 121.5207 51.5857 41.2537 176.2498 47 T 4.0461 8.5194 110.3776 64.0670 69.2823 175.4957 48 D 4.3625 7.9475 120.5008 54.2284 39.8601 176.9897 49 G 3.9756 7.8544 107.7006 44.9055 0.0000 173.6292 50 S 4.6702 8.5043 115.6669 57.2128 65.4569 173.0389 51 T 5.0294 8.9045 115.3764 61.9854 72.9096 173.1652 52 D 5.3025 9.1356 125.1720 53.5462 42.9593 175.2115 53 Y 5.0518 9.1684 119.8470 57.5686 42.4249 176.2804 54 G 4.2256 8.9172 109.3053 45.1721 0.0000 174.0946 55 I 4.3609 8.2272 110.0044 62.6024 37.3517 177.1838 56 L 4.7394 7.7346 119.2056 54.3267 42.9676 176.8256 57 Q 3.3668 7.8940 114.2413 57.0598 26.5410 174.5653 58 I 4.1588 8.3228 120.9899 61.2073 39.3129 176.6723 59 N 5.3802 9.1094 125.5193 53.0773 40.2637 175.2875 60 S 4.7153 9.1381 119.7068 59.6741 63.3704 175.1284 61 R 3.6841 8.7491 122.9823 58.7354 30.3685 177.7345 62 W 4.0902 8.1029 117.0893 57.1028 31.4272 177.7501 63 W 4.8541 8.3358 118.4307 57.5368 31.0421 173.7852 64 C 5.6962 8.2267 111.4902 53.7998 43.2447 172.7696 65 N 5.1041 8.8938 118.1789 51.9531 40.0557 174.5603 66 D 4.6602 8.7612 123.7067 52.0557 40.7506 176.3874 67 G 3.9684 8.2645 107.8023 46.4273 0.0000 174.2381 68 R 4.5751 8.6497 112.3997 55.5572 30.3761 175.6895 69 T 4.3626 7.6062 116.7442 60.9714 68.5137 170.8469 70 P 4.1208 0.0000 0.0000 63.9173 31.7881 176.9989 71 G 3.7446 8.8617 110.8894 46.0041 0.0000 173.2199 72 S 4.3759 7.2637 112.5259 56.6476 64.7004 173.0802 73 R 4.5632 8.4112 120.3048 54.5907 33.2635 176.1072 74 N 5.0674 8.0084 114.6342 52.1027 38.6426 174.6994 75 L 4.1012 8.6357 121.0651 57.7867 42.3807 178.4884 76 C 4.5361 8.6929 114.4258 57.1063 40.8499 172.9341 77 N 4.2245 8.0194 116.2216 54.0745 36.1332 174.1312 78 I 4.7123 7.9225 109.8284 58.1719 41.4033 173.2406 79 P 4.6958 0.0000 0.0000 62.6938 31.8083 178.4457 80 C 4.2446 8.8722 120.5638 59.2651 40.9378 176.6848 81 S 3.9628 7.7956 116.0040 61.2088 62.3986 175.9516 82 A 3.9968 7.6166 122.8825 54.7136 17.5952 178.6336 83 L 4.4121 7.5952 115.6249 55.4486 41.6908 177.8088 84 L 5.2625 7.5489 117.5658 53.6679 42.3855 176.6260 85 S 4.4641 7.4520 112.9959 57.5733 62.9299 174.3214 86 S 4.2333 8.4786 118.2384 60.5451 63.0991 173.8006 87 D 4.6193 7.9314 121.3624 53.3106 40.3573 176.4184 88 I 3.9516 8.3265 120.8773 61.9590 37.8134 177.3104 89 T 3.5213 7.9819 118.9384 67.2023 68.3653 175.7517 90 A 3.9605 7.8670 121.5485 55.2834 18.4975 179.6514 91 S 4.0551 7.9358 113.2161 61.7293 62.9497 176.9355 92 V 3.3221 7.8322 121.1166 65.8837 31.2803 177.9083 93 N 4.2243 8.0178 116.3882 56.1336 38.4106 176.7144 94 C 4.2598 8.1973 119.8345 59.3427 44.7389 175.1828 95 A 4.1420 7.8817 122.4351 55.4532 17.8271 179.5229 96 K 3.6949 7.6538 116.6506 59.6450 32.0068 179.5693 97 K 4.0318 7.8713 117.9386 59.6912 31.9651 179.4665 98 I 3.0368 7.4747 119.9270 64.1392 36.6418 178.7507 99 V 3.7040 7.9140 118.0824 65.7554 31.4239 177.8724 100 S 4.4287 7.7672 114.4176 61.2733 62.9945 175.8118 101 D 4.7264 8.4196 120.7954 56.1827 40.8384 176.4741 102 G 3.7640 8.5532 106.2677 46.1500 0.0000 176.3009 *104 G 4.0541 8.3256 105.6817 44.9799 0.0000 174.6087 105 M 4.1100 5.8600 127.5678 56.3935 32.0126 177.8375 106 N 4.6999 8.0664 116.0154 55.6969 39.0243 175.9117 107 A 3.8201 7.3638 120.8231 54.7202 18.5422 178.1236 108 W 4.3975 7.9071 116.4345 55.3745 28.5271 177.0294 109 V 3.6636 8.3726 123.9456 66.0701 31.1936 177.3618 110 A 3.9643 8.1355 119.8247 54.8077 18.2810 179.1758 111 W 4.0199 8.3518 126.4844 60.6790 30.6068 178.0269 112 R 3.5548 8.1853 117.4717 58.6398 29.5561 177.2653 113 N 4.6448 7.5344 113.7963 53.3410 39.4939 175.8283 114 R 4.2919 7.4779 116.4233 56.2752 33.0427 175.5490 115 C 4.5671 7.6228 113.4200 58.1544 41.6769 173.7593 116 K 3.1685 6.7234 119.5383 57.7165 31.6426 176.1479 117 G 3.8051 8.7294 115.2869 47.2549 0.0000 172.4096 118 T 4.6819 7.3498 109.1909 59.2441 72.1636 174.5500 119 D 4.7636 8.2260 119.9454 53.9136 39.0341 177.8617 120 V 4.1128 7.7354 115.3462 63.9612 32.6824 178.7444 121 Q 4.1419 8.3199 120.0184 58.8089 28.7540 177.7260 122 A 4.0063 8.1780 121.9777 54.9756 18.0370 179.5214 123 W 4.2619 8.1509 116.8513 58.7629 29.0087 177.0460 124 I 4.4190 7.6100 111.3095 60.0099 37.4940 175.4265 125 R 3.9568 7.5517 118.8019 58.2204 29.2885 177.0580 126 G 3.9818 9.0215 110.5794 45.2622 0.0000 172.9656 127 C 4.2924 7.4682 121.6652 60.0067 28.1454 173.3613 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 K 8.17 4.21 0.00 1.77 1.68 0.00 1.27 0.00 0.00 1.14 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 1.21 7.81 2 V 8.30 4.44 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 0.93 0.00 0.00 0.97 0.00 0.00 3 F 9.25 4.26 0.00 3.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 G 8.98 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 R 8.88 3.21 0.00 2.00 1.99 0.00 3.79 0.00 0.00 3.87 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.94 0.00 6 C 7.94 4.12 0.00 3.01 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 7 E 8.22 3.97 0.00 2.07 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 2.80 2.49 0.00 8 L 8.07 3.54 0.00 1.58 1.34 -0.04 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 9 A 8.11 3.92 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 10 A 8.02 3.91 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 11 A 7.80 3.91 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 12 M 8.24 3.87 0.00 1.89 2.07 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 2.53 2.31 0.00 13 K 8.13 3.86 0.00 1.93 1.91 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.44 7.81 14 R 7.87 3.83 0.00 1.86 2.05 0.00 3.25 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 15 H 7.96 4.41 0.00 3.11 3.14 0.00 5.71 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.87 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.86 3.60 0.00 1.45 0.63 0.28 -0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.99 4.76 0.00 2.65 2.63 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 19 N 9.31 4.36 0.00 3.08 2.87 0.00 0.00 6.40 7.25 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 20 Y 8.31 4.47 0.00 3.19 2.99 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 21 R 9.20 3.37 0.00 2.09 1.89 0.00 3.41 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.24 0.00 22 G 8.23 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 7.80 4.57 0.00 3.48 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 24 S 8.88 4.58 0.00 4.03 3.94 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 25 L 8.99 4.15 0.00 1.93 1.81 0.96 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.53 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 27 N 8.29 4.48 0.00 2.66 2.47 0.00 0.00 7.06 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 W 7.98 3.77 0.00 3.36 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 29 V 7.78 3.52 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 1.13 0.00 0.00 0.99 0.00 0.00 30 C 8.09 2.88 0.00 2.55 3.12 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 31 A 8.03 3.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.71 4.23 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.56 2.71 0.00 1.16 1.07 0.00 0.89 0.00 0.00 0.61 0.00 0.00 3.15 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.63 0.21 7.81 34 F 7.22 4.30 0.00 3.08 3.07 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 0.00 0.00 0.00 0.00 35 E 8.24 4.29 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 36 S 7.89 4.51 0.00 4.17 4.22 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 37 N 8.59 3.89 0.00 2.70 2.75 0.00 0.00 7.14 6.79 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 38 F 7.67 4.01 0.00 3.45 3.09 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 39 N 7.83 5.20 0.00 2.88 2.89 0.00 0.00 6.96 6.63 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 40 T 9.00 4.03 4.43 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 1.59 0.00 0.00 41 Q 8.09 4.44 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.50 2.34 0.00 42 A 7.68 4.26 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 43 T 8.21 4.93 4.22 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 1.12 0.00 0.00 44 N 8.77 4.82 0.00 2.77 2.56 0.00 0.00 7.04 7.06 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 45 R 8.67 4.40 0.00 1.71 1.82 0.00 3.37 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 1.58 0.00 46 N 9.03 5.11 0.00 2.84 2.71 0.00 0.00 6.42 6.89 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 47 T 8.52 4.05 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 48 D 7.95 4.36 0.00 2.77 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 49 G 7.85 3.98 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 0.00 0.00 0.00 50 S 8.50 4.67 0.00 3.89 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 51 T 8.90 5.03 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 0.62 0.00 0.00 52 D 9.14 5.30 0.00 2.51 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 53 Y 9.17 5.05 0.00 2.90 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 54 G 8.92 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.23 4.36 1.88 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 1.39 0.85 0.98 0.00 0.00 56 L 7.73 4.74 0.00 1.66 1.81 0.38 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.89 3.37 0.00 2.46 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.01 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.62 0.00 58 I 8.32 4.16 2.04 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.98 1.07 0.00 0.00 59 N 9.11 5.38 0.00 3.09 3.13 0.00 0.00 6.98 7.16 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 60 S 9.14 4.72 0.00 4.01 4.32 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 61 R 8.75 3.68 0.00 1.62 2.08 0.00 2.41 0.00 0.00 2.77 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 62 W 8.10 4.09 0.00 1.85 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 0.00 0.00 0.00 63 W 8.34 4.85 0.00 3.60 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 64 C 8.23 5.70 0.00 3.04 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 65 N 8.89 5.10 0.00 2.84 2.67 0.00 0.00 7.14 8.11 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 66 D 8.76 4.66 0.00 2.79 2.57 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 67 G 8.26 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 68 R 8.65 4.58 0.00 1.88 1.96 0.00 3.07 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.96 0.00 69 T 7.61 4.36 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 1.11 0.00 0.00 70 P 0.00 4.12 0.00 1.99 1.97 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 71 G 8.86 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 72 S 7.26 4.38 0.00 4.12 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 73 R 8.41 4.56 0.00 1.91 1.85 0.00 3.25 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.78 0.00 74 N 8.01 5.07 0.00 2.73 2.65 0.00 0.00 6.88 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 75 L 8.64 4.10 0.00 1.74 1.90 0.93 0.49 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 76 C 8.69 4.54 0.00 3.27 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 77 N 8.02 4.22 0.00 2.92 2.90 0.00 0.00 6.71 7.04 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 78 I 7.92 4.71 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.97 0.92 0.00 0.00 79 P 0.00 4.70 0.00 2.15 1.96 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 80 C 8.87 4.24 0.00 2.06 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 81 S 7.80 3.96 0.00 4.02 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 82 A 7.62 4.00 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 83 L 7.60 4.41 0.00 1.89 1.79 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.55 5.26 0.00 1.83 1.74 1.08 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.45 4.46 0.00 3.89 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 86 S 8.48 4.23 0.00 3.98 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 87 D 7.93 4.62 0.00 2.71 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 88 I 8.33 3.95 1.64 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.14 0.63 0.00 0.00 89 T 7.98 3.52 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 1.19 0.00 0.00 90 A 7.87 3.96 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 91 S 7.94 4.06 0.00 3.92 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 92 V 7.83 3.32 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 0.64 0.00 0.00 0.65 0.00 0.00 93 N 8.02 4.22 0.00 2.89 2.79 0.00 0.00 6.63 7.76 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 94 C 8.20 4.26 0.00 3.10 3.07 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 0.00 0.00 0.00 0.00 95 A 7.88 4.14 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 96 K 7.65 3.69 0.00 1.71 1.57 0.00 1.24 0.00 0.00 1.07 0.00 0.00 2.13 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.30 0.81 7.81 97 K 7.87 4.03 0.00 2.00 1.96 0.00 1.82 0.00 0.00 1.75 0.00 0.00 3.29 0.00 0.00 3.38 0.00 0.00 0.00 0.00 1.52 1.73 7.81 98 I 7.47 3.04 1.67 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.19 0.13 0.00 0.00 99 V 7.91 3.70 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 1.08 0.00 0.00 1.38 0.00 0.00 100 S 7.77 4.43 0.00 3.94 3.98 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 0.00 101 D 8.42 4.73 0.00 3.01 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 0.00 102 G 8.55 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 *104 G 8.33 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 105 M 5.86 4.11 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.89 0.00 106 N 8.07 4.70 0.00 2.78 2.98 0.00 0.00 6.92 7.35 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 0.00 107 A 7.36 3.82 0.64 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 0.00 0.00 108 W 7.91 4.40 0.00 3.67 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 0.00 109 V 8.37 3.66 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 1.10 0.00 0.00 0.96 0.00 0.00 110 A 8.14 3.96 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 0.00 111 W 8.35 4.02 0.00 3.34 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 0.00 112 R 8.19 3.55 0.00 2.21 2.08 0.00 3.36 0.00 0.00 3.36 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.76 0.00 113 N 7.53 4.64 0.00 2.57 2.72 0.00 0.00 6.79 9.01 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 0.00 114 R 7.48 4.29 0.00 1.27 1.23 0.00 2.21 0.00 0.00 2.77 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.04 0.00 115 C 7.62 4.57 0.00 2.29 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 0.00 116 K 6.72 3.17 0.00 0.79 1.30 0.00 1.60 0.00 0.00 1.49 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.22 1.11 7.81 117 G 8.73 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.35 4.68 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 1.33 0.00 0.00 119 D 8.23 4.76 0.00 2.74 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 0.00 120 V 7.74 4.11 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 0.95 0.00 0.00 1.08 0.00 0.00 121 Q 8.32 4.14 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 122 A 8.18 4.01 1.22 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 0.00 0.00 123 W 8.15 4.26 0.00 3.62 3.40 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 0.00 124 I 7.61 4.42 1.93 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 1.63 0.98 1.02 0.00 0.00 125 R 7.55 3.96 0.00 1.95 1.98 0.00 2.99 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.57 0.00 126 G 9.02 3.98 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 0.00 0.00 0.00 127 C 7.47 4.29 0.00 3.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.