NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7860 8.3393 109.7366 44.7626 0.0000 172.9619 *2 P 4.1292 0.0000 0.0000 62.4532 32.3221 176.7715 3 H 4.8698 8.6234 118.3945 54.2817 28.1850 174.0363 4 V 4.4968 7.7885 122.3627 59.9672 34.5462 174.5117 5 H 4.8756 9.2004 121.1750 54.6456 30.5991 174.0881 6 V 4.9544 8.5124 122.7803 61.2700 33.4061 174.5327 7 S 4.8789 9.4200 122.0881 56.6007 66.0960 174.0364 8 T 4.9303 8.3360 112.9674 60.5519 69.0616 173.7033 9 D 4.5395 8.1909 123.5172 53.4791 40.8431 176.7725 10 N 4.5193 8.7408 125.8348 56.0186 38.8330 177.7502 11 S 4.2240 8.2421 112.3441 60.8218 63.0918 175.5065 12 L 4.1021 7.7340 120.0017 56.2706 41.7192 177.4876 13 L 4.4443 7.6180 118.8604 54.9603 42.1751 177.5468 14 D 4.7045 9.2771 122.6487 52.9751 40.5001 177.1358 15 I 3.7996 8.0888 127.6067 63.8798 37.2773 178.0583 16 G 3.6193 8.0861 106.1540 47.6274 0.0000 175.2463 17 L 3.9242 8.2909 122.8897 57.9321 42.0176 179.2034 18 I 3.7086 7.7463 119.6193 64.5349 36.9372 177.7337 19 H 4.1195 8.5505 119.4106 59.4947 29.6930 177.3903 20 R 3.7036 8.0924 119.8727 59.4298 29.7929 179.2163 21 T 3.5651 7.8077 115.4163 66.5326 68.1648 176.7596 22 L 3.6911 7.6774 119.6142 57.8157 41.8076 179.2991 23 S 4.3669 8.3086 113.3627 60.7853 62.0721 175.4871 24 Q 4.4325 7.8845 118.7477 56.0043 29.9155 176.1606 25 D 4.8451 7.9226 117.6423 53.7027 41.5265 175.6673 26 T 4.3166 7.1509 108.3062 59.4724 71.6117 173.5151 27 D 4.4952 8.3568 122.3185 55.5207 40.1949 178.6652 28 W 4.3391 8.0901 115.5395 58.2953 28.7070 176.3790 29 A 4.9578 7.2855 120.9339 51.2455 19.1192 175.1165 30 K 4.0723 7.5638 119.8920 59.8979 32.3146 176.4058 31 D 4.5795 8.8088 123.6276 54.5754 38.9720 173.8520 32 I 2.7728 7.5348 119.8480 60.2420 38.4827 174.7706 33 P 4.3906 0.0000 0.0000 61.8811 33.2002 177.0856 34 L 3.5092 8.3583 122.2752 58.5160 41.8875 179.5167 35 A 3.9500 7.8401 119.8127 55.0139 18.2390 179.4693 36 L 3.9743 7.7317 117.2793 57.6220 41.8071 179.4219 37 V 3.6004 7.6891 118.3179 66.0829 31.4110 177.8772 38 Q 3.9467 8.2418 119.3166 59.2097 28.7108 178.1308 39 R 3.9076 7.9506 118.1914 59.3086 30.4862 177.8847 40 A 4.2621 8.4098 120.9078 55.4642 18.5637 179.6567 41 I 3.8275 8.0149 118.2151 64.7906 36.9870 178.4598 42 D 4.4984 8.3068 118.5816 56.6042 40.5353 177.0455 43 H 4.9595 7.7070 114.2052 55.3513 29.2547 173.4901 44 S 4.9168 7.8763 114.3418 56.6077 67.0302 173.6393 45 L 4.3907 8.9229 124.0120 54.4785 42.7885 174.8720 46 C 5.1096 8.4131 124.2215 57.9585 31.4458 173.0141 47 F 5.0525 9.1724 121.8384 55.8050 41.1957 174.5146 48 G 4.4034 9.4393 112.2748 44.3396 0.0000 171.9785 49 G 4.4268 8.3534 110.3895 44.0820 0.0000 172.2744 50 F 5.4016 9.1861 122.3395 55.5431 43.6605 174.1142 51 V 4.5468 8.6163 121.8103 61.7435 34.7864 175.1802 52 D 4.2026 10.1373 127.9235 55.4960 38.3533 174.6435 53 G 4.0262 8.7191 105.1244 45.2898 0.0000 173.8724 54 R 4.7681 7.8642 118.6173 53.9472 33.1084 174.8118 55 Q 4.1687 8.7037 122.5856 56.1141 29.8017 175.8518 56 V 4.5330 8.5096 116.4253 61.2032 34.5692 174.8343 57 A 4.9081 7.4550 120.4698 51.2897 22.7777 174.6071 58 F 5.2240 8.4513 119.7138 57.3440 43.3371 172.8857 59 A 4.6236 8.0117 124.4841 50.4905 23.0770 175.1333 60 R 4.7987 8.5054 120.0903 54.4264 33.8385 174.0508 61 V 4.8797 9.0229 125.8920 61.1882 34.6920 173.8969 62 I 4.7604 8.6689 128.7791 59.8200 39.0956 174.6698 63 S 4.9023 8.2014 120.1652 57.2624 65.1113 173.5954 64 D 4.3049 8.2778 122.9305 52.8271 39.5836 176.0377 65 Y 4.2023 7.7312 115.6042 58.0037 36.1906 170.3962 66 A 4.8181 8.3207 120.4302 53.4159 24.9502 178.1485 67 T 4.6669 9.2024 104.0321 61.8433 71.6494 173.7333 68 F 5.2713 8.1909 122.5835 56.6561 43.1691 172.9808 69 A 4.4216 7.6428 125.4331 50.1802 23.0161 174.1411 70 Y 5.0420 8.6326 120.5525 55.6720 42.0523 173.8873 71 L 4.7521 8.0248 128.8710 53.7393 44.0255 175.4931 72 G 3.5586 8.7914 111.6326 45.8921 0.0000 172.7685 73 D 4.9588 8.3323 116.7916 55.3091 38.3440 174.0765 74 V 4.1942 7.6509 119.3375 62.9056 32.0647 175.0363 75 F 5.2641 8.9229 121.6599 55.8880 41.6905 173.1231 76 V 5.0399 8.4858 119.1419 60.8930 34.3339 175.3417 77 L 4.2923 9.0977 127.8030 54.2512 42.2455 176.5503 78 P 4.2817 0.0000 0.0000 65.7071 31.4032 178.0427 79 E 4.1793 8.1856 113.2465 57.8896 29.8058 176.6651 80 H 4.8619 8.1980 115.9189 55.6749 29.4517 174.5926 81 R 4.0633 7.5108 119.1465 57.0435 30.4536 177.0233 82 G 3.8324 8.6343 107.0034 46.2435 0.0000 174.3567 83 R 4.1116 7.6399 116.0369 55.4368 30.6964 177.0104 84 G 3.9727 7.9395 106.7009 46.0592 0.0000 175.2083 85 Y 4.3768 7.6088 118.9890 60.8990 37.6062 178.1918 86 S 4.1083 8.0718 114.9372 61.6002 63.1188 176.1844 87 K 4.3270 8.2944 121.4295 58.8711 32.3908 178.1124 88 A 4.2484 8.2022 121.2027 55.0271 18.1941 179.7984 89 L 4.0804 7.7835 115.5280 55.5099 41.4498 178.9626 *91 D 4.5264 8.0847 120.4100 54.4429 42.7886 177.0975 92 A 4.1606 7.7459 120.6275 55.2334 18.6116 179.6956 93 V 3.0875 7.5731 112.3219 63.6806 30.7165 177.1445 *95 A 4.3724 7.9078 119.6119 51.0694 20.4005 177.3395 96 H 4.3247 7.9622 117.2722 55.1190 30.3861 174.5917 97 P 4.3319 0.0000 0.0000 65.3053 31.6198 176.6016 98 D 4.8187 8.3595 117.4701 54.4475 41.1510 176.8595 99 L 4.9238 8.1455 118.9572 54.5062 41.1282 176.2778 100 Q 4.4779 8.0736 117.4084 55.7130 30.3195 176.2561 101 G 3.9778 8.7240 107.5327 46.3792 0.0000 173.8408 102 L 4.2460 7.1539 117.8551 54.0284 42.3403 177.3995 103 R 4.1478 8.6116 123.0751 59.0708 30.9739 176.8321 104 R 4.6912 8.1998 118.3754 54.5426 33.8796 173.5538 105 F 5.0861 8.8913 127.8355 56.6437 41.6900 174.0110 106 S 5.2722 9.1884 122.5763 57.1095 66.3745 172.9812 107 L 4.5218 8.1596 120.1712 54.9424 43.0563 174.1036 108 A 4.6353 8.0980 121.7040 50.4645 21.6091 175.6442 109 T 4.4911 7.9898 115.5739 60.2953 70.5752 173.9776 110 S 4.4061 8.9266 125.2522 61.5597 63.1218 175.6275 111 D 4.8221 7.9717 114.6982 53.5966 40.3245 174.8669 112 A 4.8137 8.1979 122.2906 52.5283 19.9414 179.3929 113 H 4.3555 8.7045 119.6804 60.5845 28.5774 177.5485 114 G 3.6296 8.0655 106.1559 47.6317 0.0000 174.8718 115 L 3.9100 7.8472 122.0850 58.4911 42.1360 178.6688 116 Y 4.4439 7.7693 115.6551 60.6908 37.7712 178.4968 117 A 4.6755 7.9622 122.9992 54.5582 18.2155 179.4995 118 R 3.9542 8.1861 115.7147 58.2029 30.1996 176.9572 119 Y 4.4670 8.0366 116.1443 57.6461 38.0401 177.1331 120 G 3.9918 8.1388 108.7835 45.0270 0.0000 174.4224 121 F 4.2309 8.1025 119.0973 57.4080 39.6364 174.3951 122 T 5.0039 8.0768 112.9069 58.7427 71.8834 171.7679 123 P 4.4413 0.0000 0.0000 61.8189 31.8985 174.9044 124 P 4.3525 0.0000 0.0000 62.6581 31.8971 176.9932 125 L 3.8581 8.2681 121.9778 57.2733 42.1389 177.8460 126 F 5.1920 7.2804 115.8295 54.8472 39.5277 173.5290 127 P 4.2997 0.0000 0.0000 65.5995 31.7856 179.3955 128 Q 4.1334 8.0980 118.8117 58.1796 29.1608 176.8873 129 S 4.2866 8.1511 111.6724 60.3399 63.4155 174.4961 130 L 4.2627 7.4033 120.9838 53.7088 42.3880 175.5596 *132 E 3.9919 8.1902 116.9823 56.4368 30.3194 175.9737 133 R 4.4132 8.3399 119.2338 54.8650 30.1712 175.1818 134 Y 4.9662 8.4135 123.5882 55.7863 41.3054 175.7632 135 V 4.0288 8.0926 127.2171 59.4515 31.2814 170.1662 136 P 4.1065 0.0000 0.0000 63.3919 30.5912 176.8649 137 G 3.8066 8.6461 111.7486 45.9617 0.0000 173.4303 138 L 3.7674 7.2378 123.7328 58.0548 41.8789 178.1028 139 Y 4.4406 7.2247 113.3840 59.3834 38.3023 175.3752 140 S 4.4647 7.7910 119.5051 59.3365 63.0520 175.0183 *141 T 3.6792 8.5820 116.9574 61.0816 68.0001 168.1615 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 G 8.34 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 *2 P 0.00 4.13 0.00 2.54 2.62 0.00 3.79 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 3 H 8.62 4.87 0.00 3.20 3.28 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 V 7.79 4.50 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 0.76 0.00 0.00 0.54 0.00 0.00 5 H 9.20 4.88 0.00 3.23 3.30 0.00 5.57 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.51 4.95 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 0.95 0.00 0.00 0.98 0.00 0.00 7 S 9.42 4.88 0.00 3.93 3.82 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 8 T 8.34 4.93 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 0.47 0.00 0.00 9 D 8.19 4.54 0.00 2.65 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 10 N 8.74 4.52 0.00 2.80 2.89 0.00 0.00 6.82 7.72 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 11 S 8.24 4.22 0.00 3.97 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 12 L 7.73 4.10 0.00 1.70 1.17 0.68 0.72 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 13 L 7.62 4.44 0.00 1.83 1.66 1.18 1.35 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 14 D 9.28 4.70 0.00 2.78 2.72 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 0.00 0.00 0.00 0.00 15 I 8.09 3.80 1.87 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 1.58 0.79 0.93 0.00 0.00 16 G 8.09 3.62 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 0.00 17 L 8.29 3.92 0.00 1.90 1.88 0.92 0.95 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 18 I 7.75 3.71 1.84 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.53 0.61 0.00 0.00 19 H 8.55 4.12 0.00 3.14 3.47 0.00 5.61 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.09 3.70 0.00 1.77 1.85 0.00 3.19 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 21 T 7.81 3.57 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 0.10 0.00 0.00 22 L 7.68 3.69 0.00 1.60 1.68 1.15 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 23 S 8.31 4.37 0.00 3.79 3.72 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 0.00 0.00 0.00 0.00 24 Q 7.88 4.43 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 25 D 7.92 4.85 0.00 2.53 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 7.15 4.32 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 27 D 8.36 4.50 0.00 2.90 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 W 8.09 4.34 0.00 3.53 3.51 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 29 A 7.29 4.96 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 30 K 7.56 4.07 0.00 1.77 1.79 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.41 7.81 31 D 8.81 4.58 0.00 2.98 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 32 I 7.53 2.77 1.67 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.26 0.90 0.00 0.00 33 P 0.00 4.39 0.00 2.11 1.89 0.00 3.22 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 34 L 8.36 3.51 0.00 1.37 1.54 0.80 0.96 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 35 A 7.84 3.95 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 36 L 7.73 3.97 0.00 1.73 1.69 0.93 0.89 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 37 V 7.69 3.60 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 38 Q 8.24 3.95 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 39 R 7.95 3.91 0.00 1.98 1.99 0.00 3.36 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 40 A 8.41 4.26 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 41 I 8.01 3.83 2.15 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 1.82 1.37 1.01 0.00 0.00 42 D 8.31 4.50 0.00 2.77 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 43 H 7.71 4.96 0.00 3.21 3.33 0.00 5.59 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 S 7.88 4.92 0.00 3.85 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 45 L 8.92 4.39 0.00 1.93 1.73 0.60 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 46 C 8.41 5.11 0.00 3.14 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 47 F 9.17 5.05 0.00 2.87 2.91 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 48 G 9.44 4.40 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 0.00 49 G 8.35 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 0.00 0.00 0.00 0.00 50 F 9.19 5.40 0.00 2.99 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 51 V 8.62 4.55 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 1.05 0.00 0.00 0.72 0.00 0.00 52 D 10.14 4.20 0.00 2.88 2.74 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 53 G 8.72 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 0.00 0.00 0.00 54 R 7.86 4.77 0.00 2.12 1.85 0.00 3.22 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 55 Q 8.70 4.17 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.12 1.76 0.00 56 V 8.51 4.53 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 0.32 0.00 0.00 0.63 0.00 0.00 57 A 7.45 4.91 1.18 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 0.00 0.00 0.00 0.00 0.00 58 F 8.45 5.22 0.00 2.18 1.56 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 59 A 8.01 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 R 8.51 4.80 0.00 1.53 1.81 0.00 3.22 0.00 0.00 3.42 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 61 V 9.02 4.88 2.39 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 0.96 0.00 0.00 1.07 0.00 0.00 62 I 8.67 4.76 2.08 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.82 0.98 0.00 0.00 63 S 8.20 4.90 0.00 3.55 3.15 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 64 D 8.28 4.30 0.00 2.71 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 65 Y 7.73 4.20 0.00 3.19 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 66 A 8.32 4.82 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 67 T 9.20 4.67 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 68 F 8.19 5.27 0.00 3.08 2.79 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 69 A 7.64 4.42 -0.13 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 70 Y 8.63 5.04 0.00 3.07 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 71 L 8.02 4.75 0.00 1.57 1.02 0.70 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 72 G 8.79 3.56 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 0.00 0.00 0.00 73 D 8.33 4.96 0.00 3.08 3.38 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 74 V 7.65 4.19 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 0.80 0.00 0.00 0.79 0.00 0.00 75 F 8.92 5.26 0.00 3.21 3.33 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 76 V 8.49 5.04 2.21 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 1.03 0.00 0.00 1.04 0.00 0.00 77 L 9.10 4.29 0.00 1.96 1.85 1.06 0.81 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 78 P 0.00 4.28 0.00 2.18 2.12 0.00 3.62 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 79 E 8.19 4.18 0.00 2.01 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 0.00 1.97 2.17 0.00 80 H 8.20 4.86 0.00 3.47 3.66 0.00 5.65 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.51 4.06 0.00 1.79 1.85 0.00 3.26 0.00 0.00 3.26 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.82 0.00 82 G 8.63 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 0.00 0.00 0.00 83 R 7.64 4.11 0.00 0.67 1.35 0.00 3.08 0.00 0.00 3.05 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.51 0.00 84 G 7.94 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 85 Y 7.61 4.38 0.00 2.98 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.07 4.11 0.00 3.84 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 87 K 8.29 4.33 0.00 1.81 2.04 0.00 1.62 0.00 0.00 0.61 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.62 1.49 7.81 88 A 8.20 4.25 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 89 L 7.78 4.08 0.00 1.80 1.52 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 *91 D 8.08 4.53 0.00 2.91 2.80 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 92 A 7.75 4.16 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 93 V 7.57 3.09 1.67 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 0.83 0.00 0.00 -0.13 0.00 0.00 *95 A 7.91 4.37 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 96 H 7.96 4.32 0.00 3.63 3.39 0.00 5.59 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 P 0.00 4.33 0.00 2.18 2.15 0.00 3.21 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.90 0.00 98 D 8.36 4.82 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 99 L 8.15 4.92 0.00 1.77 1.73 1.16 0.78 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 0.00 100 Q 8.07 4.48 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.12 0.00 0.00 0.00 0.00 0.00 2.59 2.32 0.00 101 G 8.72 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 0.00 102 L 7.15 4.25 0.00 1.63 1.53 0.60 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 103 R 8.61 4.15 0.00 1.86 2.14 0.00 3.23 0.00 0.00 3.19 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 104 R 8.20 4.69 0.00 1.99 1.93 0.00 3.44 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 105 F 8.89 5.09 0.00 2.90 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 0.00 106 S 9.19 5.27 0.00 4.00 3.92 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 0.00 107 L 8.16 4.52 0.00 0.90 0.97 0.34 -1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.10 4.64 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.99 4.49 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 0.92 0.00 0.00 110 S 8.93 4.41 0.00 3.99 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 0.00 111 D 7.97 4.82 0.00 2.76 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 0.00 112 A 8.20 4.81 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 0.00 113 H 8.70 4.36 0.00 3.26 3.42 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 0.00 114 G 8.07 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 0.00 115 L 7.85 3.91 0.00 1.59 1.56 0.85 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.77 4.44 0.00 2.98 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 0.00 117 A 7.96 4.68 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 0.00 118 R 8.19 3.95 0.00 1.44 1.59 0.00 2.95 0.00 0.00 3.06 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 119 Y 8.04 4.47 0.00 3.45 3.03 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 0.00 120 G 8.14 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 0.00 121 F 8.10 4.23 0.00 3.26 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 0.00 122 T 8.08 5.00 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 1.20 0.00 0.00 123 P 0.00 4.44 0.00 2.06 2.05 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 124 P 0.00 4.35 0.00 2.04 1.99 0.00 3.70 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.14 0.00 125 L 8.27 3.86 0.00 0.27 0.37 0.62 0.59 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 0.00 126 F 7.28 5.19 0.00 3.05 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 0.00 127 P 0.00 4.30 0.00 2.25 2.34 0.00 3.80 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.99 0.00 128 Q 8.10 4.13 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.15 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 129 S 8.15 4.29 0.00 4.08 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 0.00 130 L 7.40 4.26 0.00 1.82 1.68 0.96 0.73 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 *132 E 8.19 3.99 0.00 2.07 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 0.00 2.21 2.43 0.00 133 R 8.34 4.41 0.00 1.82 1.96 0.00 3.14 0.00 0.00 3.14 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 134 Y 8.41 4.97 0.00 2.67 2.77 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 0.00 135 V 8.09 4.03 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 0.91 0.00 0.00 0.91 0.00 0.00 136 P 0.00 4.11 0.00 2.01 1.67 0.00 3.54 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.46 0.00 137 G 8.65 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 0.00 138 L 7.24 3.77 0.00 1.48 1.04 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 7.22 4.44 0.00 3.29 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 0.00 140 S 7.79 4.46 0.00 3.81 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 *141 T 8.58 3.68 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 * Residues marked with a * may have inaccurate shift predictions.