NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 3.9865 8.1849 122.4060 54.1749 42.1764 176.1939 3 W 4.7296 8.0097 126.3072 56.3830 29.6504 175.2948 4 K 4.6562 9.8781 121.4719 56.1115 33.4704 176.1411 5 K 4.7739 7.9092 117.7964 54.5596 35.7628 175.8323 6 T 4.1957 8.3220 112.1207 61.1252 70.0311 173.7019 7 F 4.7313 7.0145 116.7381 55.3125 40.5253 173.6001 8 T 4.6641 7.9603 110.5086 59.1536 72.9667 174.8320 9 L 3.9870 8.5159 122.3772 57.8597 41.7398 179.4925 10 E 3.9109 8.0985 118.9632 59.3309 29.6126 178.2860 11 N 4.3182 8.2233 117.1158 56.5322 39.1287 176.8853 12 L 3.8797 8.0341 120.5308 57.9271 41.4808 179.3128 13 N 4.3730 7.9671 115.3225 56.0886 38.8027 177.0257 14 Q 4.0658 7.9353 121.2654 58.9958 28.9292 177.9209 15 L 4.0018 8.0186 120.8556 57.5872 42.1783 177.6929 16 C 4.4646 7.4602 113.9800 58.5791 28.7303 174.0771 17 S 4.1561 7.0851 115.5804 58.9634 63.6896 173.2924 18 N 4.0937 8.6486 118.1972 54.0824 36.9283 171.9045 19 S 4.5193 7.1947 111.4545 56.1621 66.6116 174.7790 20 A 3.9712 8.6180 120.8306 55.2497 17.7643 179.8363 21 V 3.4519 7.5841 116.4496 66.4235 31.6536 178.3027 22 S 4.0954 7.9871 112.3128 61.5724 62.0786 175.2934 23 H 4.2012 8.3171 120.3864 58.7595 29.6028 176.2026 24 L 4.4408 7.7138 118.3519 53.8816 41.6037 177.1476 25 G 3.8980 7.8683 106.5494 46.1172 0.0000 173.9935 26 I 4.2532 7.5593 120.5226 60.8810 37.9001 175.2864 27 E 4.7433 9.0404 127.0072 54.1687 32.8250 174.5036 28 I 4.1578 9.1404 129.1208 61.8327 36.8204 175.7953 29 S 4.7324 8.6245 122.4743 59.5078 64.8300 173.8514 30 A 4.7955 7.9571 119.8867 51.6736 22.2741 174.7972 31 F 4.4539 8.2028 112.7370 56.0202 40.6245 174.2946 32 G 3.4321 6.9463 109.6512 43.8116 0.0000 172.4169 33 E 4.2954 8.7118 117.7447 58.6816 29.7265 177.0742 34 D 4.5178 7.7082 117.0501 51.7863 40.3551 174.5519 35 W 5.7715 7.8194 114.2476 57.7837 31.4538 172.5910 36 I 5.3076 8.8927 119.7489 60.0019 41.2884 173.1911 37 E 5.9800 10.2980 126.4215 53.8216 34.0179 174.5853 38 A 5.2556 8.4370 121.5056 51.0273 23.1930 175.6914 39 T 5.3569 8.8364 111.8254 58.5537 72.2333 171.2675 *41 P 4.3068 0.0000 0.0000 63.3297 32.6365 176.9218 42 V 4.2697 8.5014 122.5008 61.6383 31.4731 174.0206 43 D 4.6526 8.6014 126.6155 52.2264 42.4731 175.4380 44 H 4.1137 9.1023 114.4263 59.1385 28.7595 176.9363 45 R 4.1188 8.5373 118.2304 57.9931 30.5997 176.8045 46 T 4.4500 7.8910 108.6947 60.7887 69.0550 172.9609 *48 Q 4.2555 7.6421 119.8366 55.5575 30.1661 175.0197 49 P 4.3077 0.0000 0.0000 65.3202 31.1312 177.0036 50 F 4.7213 7.4550 112.6513 56.5656 37.9404 176.0489 51 G 3.8605 8.1574 107.6371 45.9466 0.0000 173.8778 52 V 4.6197 6.8132 110.3201 58.3555 35.5195 175.2853 53 L 3.8449 8.7125 125.4037 56.1634 42.7061 176.2202 54 H 4.1244 9.2943 127.0565 55.7401 30.4269 176.1135 55 G 3.5540 8.8875 113.7199 47.8701 0.0000 175.2011 56 G 3.7370 8.1260 107.4186 47.7440 0.0000 175.8699 57 V 3.6717 7.8753 120.0694 65.6799 31.5734 178.1506 58 S 4.1579 8.0128 115.2650 61.5681 62.5617 176.8090 59 V 3.6354 7.8043 120.4036 65.7275 31.2113 177.9636 60 A 3.9682 7.8405 120.4041 54.9248 18.2046 179.3771 61 L 3.8569 8.0176 118.6555 58.1766 42.2093 179.0214 62 A 4.0035 8.0665 120.7945 55.2864 18.3297 179.2988 63 E 3.9205 8.5273 118.0445 59.4518 29.6558 179.0433 64 T 3.7761 7.8468 116.0217 66.7433 68.5364 176.4729 65 I 3.7184 7.9625 120.5339 63.8950 37.9942 178.2726 66 G 3.3305 8.1322 106.7493 47.7888 0.0000 175.9940 67 S 3.9573 8.0513 117.7117 60.8583 62.5588 176.5274 68 L 3.6647 7.5530 121.9947 57.9271 42.2480 178.3582 69 A 3.9083 7.6174 120.8800 55.1802 18.2493 179.7380 70 G 3.7595 7.1210 104.1620 48.0815 0.0000 175.9565 71 S 4.2552 7.7621 115.2924 60.6012 63.3094 175.7232 72 L 4.2814 7.6983 121.1357 55.6644 41.2998 177.3973 73 C 5.0350 7.8165 115.6861 59.3695 28.4693 173.1447 74 L 4.8463 7.5707 119.2777 52.7132 44.2224 176.6947 75 E 4.3600 8.2620 119.0670 55.9696 31.2312 176.1970 76 E 4.2204 8.6489 120.2594 57.4698 30.4925 176.8845 77 G 3.9365 8.9106 110.8259 46.1786 0.0000 173.2482 78 K 4.8237 7.8618 118.5290 55.0588 35.7414 174.5273 79 T 4.6826 8.5829 119.5565 61.4732 71.5860 172.0859 80 V 5.0453 8.2599 115.7435 59.4737 34.9809 175.7722 81 V 4.3820 8.5021 122.1030 60.7237 34.7108 175.0233 82 G 3.8801 8.9400 115.4175 47.0356 0.0000 172.1060 83 L 4.7634 8.8665 127.4035 56.3922 43.6118 175.7631 84 D 4.7492 7.7820 115.5081 52.9658 42.4995 173.6602 85 I 5.1231 8.0342 118.1169 60.1248 41.1210 172.9923 86 N 5.2617 8.9873 123.3376 51.7941 41.1131 172.8116 87 A 5.0442 8.2433 119.0461 51.1986 22.4733 175.2437 88 N 4.8970 9.0635 117.6337 51.7010 41.9032 173.4705 89 H 4.8428 8.6928 120.8438 55.0280 29.1617 174.9187 90 L 4.5248 8.9614 125.0362 56.6415 42.5620 177.5926 91 R 4.6232 7.5702 111.7671 54.1163 31.8414 172.7529 92 P 4.4560 0.0000 0.0000 62.5849 32.4525 175.7530 93 V 4.3809 8.1882 119.1710 61.3901 33.7595 175.9379 94 R 4.7125 8.4088 124.4381 56.1491 31.5206 175.1044 95 S 4.4084 7.9495 110.7527 58.3140 65.9408 175.4865 96 G 3.8567 8.4821 107.5630 45.0477 0.0000 172.4934 97 K 4.8493 8.3804 118.2487 55.0746 36.0229 175.6849 98 V 4.6085 8.0357 112.7721 60.1997 34.8630 174.6852 99 T 5.0967 8.8925 119.3689 61.7922 71.8163 172.7758 100 A 5.1183 9.2085 128.8481 50.2516 21.4953 175.1467 101 R 5.2194 9.1982 123.8458 54.6044 32.6191 174.4106 102 A 5.6441 9.2775 128.7851 50.6880 21.4876 175.6619 103 T 5.2574 9.2707 112.1596 59.1804 72.4779 171.7260 104 P 3.4302 0.0000 0.0000 62.9072 31.7743 175.4354 105 I 4.1681 7.8665 122.6315 62.6893 39.0996 176.0298 106 N 4.5795 7.4669 119.7718 52.4990 42.3125 172.8537 107 L 4.7447 8.6227 127.0479 53.3207 42.7103 176.2270 108 G 4.0538 8.6709 113.8553 43.4047 0.0000 172.6308 109 R 4.0849 8.6074 117.6406 58.6988 30.2006 177.9044 110 N 4.9232 8.1521 113.1221 53.1365 40.8963 174.1933 111 I 5.2358 7.5163 117.9391 59.4779 41.6107 174.3396 112 Q 5.1211 9.2589 124.6850 54.0676 32.5264 174.5957 113 V 4.9651 8.8526 122.7844 60.9815 34.4439 174.2774 114 W 5.0832 9.5198 127.5809 54.9029 32.9093 174.0779 115 Q 5.1445 9.2776 124.3814 54.5880 31.1754 174.3071 116 I 5.1156 9.0503 126.4785 59.7717 40.9254 173.8547 117 D 5.1776 9.0652 127.3087 52.5504 43.3879 175.2824 118 I 4.9769 8.8433 124.8649 59.6614 39.6486 175.0872 119 R 5.2478 9.0312 125.6457 54.4243 34.3864 175.6678 120 T 4.5458 8.6720 112.5046 60.4073 70.0885 175.4932 121 E 4.0822 8.6095 118.7668 58.3841 29.5383 177.2662 122 E 4.4142 7.8453 118.0964 55.7533 29.5885 175.4634 123 N 4.2401 8.2393 115.1190 54.2219 36.7041 173.9414 124 K 4.5080 7.6775 116.8169 54.3658 33.8941 176.0500 125 L 4.5062 8.5048 124.0142 55.1661 42.0343 176.3873 126 C 4.7644 8.8976 118.4077 58.7177 32.3094 173.2426 127 C 5.2216 7.7203 118.5540 58.3652 34.7630 172.8178 128 V 5.0124 8.6152 118.3915 59.8183 35.2230 174.5889 129 S 5.0764 9.1892 117.9399 56.8678 66.6934 172.3817 130 R 5.1361 8.9775 124.4186 54.4242 33.1163 173.6247 131 L 5.2422 9.2485 128.3263 53.5997 45.1735 174.7971 132 T 5.1407 8.9552 122.6843 61.8711 70.9816 173.2712 133 L 5.2823 9.2556 126.3861 53.0784 45.5622 175.6787 134 S 5.0701 9.0217 118.6263 57.3140 65.1831 173.2355 135 V 4.9126 8.6523 124.6850 61.3595 32.5521 174.9143 136 I 4.7447 8.4516 120.5141 59.0853 41.7370 174.4824 137 N 4.8928 8.7114 120.8931 51.8786 38.6754 175.4793 138 L 4.1447 8.3580 123.4383 55.8636 40.7201 177.0536 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 2 L 8.18 3.99 0.00 1.47 1.60 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 3 W 8.01 4.73 0.00 3.58 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 K 9.88 4.66 0.00 1.97 1.89 0.00 1.92 0.00 0.00 1.94 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.47 7.81 5 K 7.91 4.77 0.00 1.80 1.73 0.00 1.86 0.00 0.00 1.77 0.00 0.00 3.15 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.38 1.60 7.81 6 T 8.32 4.20 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 1.17 0.00 0.00 7 F 7.01 4.73 0.00 2.85 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 8 T 7.96 4.66 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 1.16 0.00 0.00 9 L 8.52 3.99 0.00 1.78 1.81 1.11 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.10 3.91 0.00 2.04 1.94 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 2.37 2.36 0.00 11 N 8.22 4.32 0.00 2.87 2.89 0.00 0.00 7.27 6.30 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 12 L 8.03 3.88 0.00 1.62 1.53 0.35 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 13 N 7.97 4.37 0.00 2.90 2.86 0.00 0.00 7.03 7.64 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 14 Q 7.94 4.07 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 15 L 8.02 4.00 0.00 1.66 1.90 0.88 0.98 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 16 C 7.46 4.46 0.00 2.97 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 17 S 7.09 4.16 0.00 3.99 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 18 N 8.65 4.09 0.00 2.80 2.84 0.00 0.00 6.81 7.63 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 19 S 7.19 4.52 0.00 3.96 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 20 A 8.62 3.97 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 21 V 7.58 3.45 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 0.96 0.00 0.00 0.90 0.00 0.00 22 S 7.99 4.10 0.00 4.06 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 23 H 8.32 4.20 0.00 3.24 3.50 0.00 5.99 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 L 7.71 4.44 0.00 1.66 1.64 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 25 G 7.87 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 0.00 0.00 0.00 26 I 7.56 4.25 2.01 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 1.10 0.56 0.94 0.00 0.00 27 E 9.04 4.74 0.00 1.99 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 2.20 2.26 0.00 28 I 9.14 4.16 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.81 0.87 0.00 0.00 29 S 8.62 4.73 0.00 3.95 4.02 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 30 A 7.96 4.80 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.20 4.45 0.00 3.04 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 32 G 6.95 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 33 E 8.71 4.30 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 34 D 7.71 4.52 0.00 2.63 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 35 W 7.82 5.77 0.00 3.68 3.31 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 36 I 8.89 5.31 1.89 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 1.32 1.81 0.97 0.00 0.00 37 E 10.30 5.98 0.00 2.14 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 2.37 2.68 0.00 38 A 8.44 5.26 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 39 T 8.84 5.36 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 1.25 0.00 0.00 *41 P 0.00 4.31 0.00 2.24 2.13 0.00 3.85 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.96 0.00 42 V 8.50 4.27 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 0.76 0.00 0.00 0.91 0.00 0.00 43 D 8.60 4.65 0.00 2.79 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 44 H 9.10 4.11 0.00 3.16 3.42 0.00 5.70 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.54 4.12 0.00 1.86 1.91 0.00 3.03 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 46 T 7.89 4.45 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 1.17 0.00 0.00 *48 Q 7.64 4.26 0.00 1.10 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.91 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 49 P 0.00 4.31 0.00 2.28 2.25 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.07 0.00 50 F 7.45 4.72 0.00 3.19 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 51 G 8.16 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 0.00 0.00 0.00 52 V 6.81 4.62 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 0.79 0.00 0.00 0.72 0.00 0.00 53 L 8.71 3.84 0.00 1.54 1.56 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 54 H 9.29 4.12 0.00 3.22 3.15 0.00 5.65 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 55 G 8.89 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 56 G 8.13 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 57 V 7.88 3.67 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 1.04 0.00 0.00 0.81 0.00 0.00 58 S 8.01 4.16 0.00 4.18 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 59 V 7.80 3.64 2.28 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 1.12 0.00 0.00 1.05 0.00 0.00 60 A 7.84 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.02 3.86 0.00 1.78 1.90 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.07 4.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.53 3.92 0.00 2.04 1.94 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 2.28 2.33 0.00 64 T 7.85 3.78 4.39 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 1.16 0.00 0.00 65 I 7.96 3.72 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.43 1.02 0.00 0.00 66 G 8.13 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 0.00 0.00 0.00 67 S 8.05 3.96 0.00 3.81 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 68 L 7.55 3.66 0.00 1.53 1.62 0.68 0.66 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 69 A 7.62 3.91 0.49 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 0.00 0.00 70 G 7.12 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 71 S 7.76 4.26 0.00 3.99 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 72 L 7.70 4.28 0.00 1.74 1.49 -0.73 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 73 C 7.82 5.03 0.00 3.42 3.14 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 0.00 0.00 0.00 0.00 74 L 7.57 4.85 0.00 1.65 1.61 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.26 4.36 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 2.35 2.26 0.00 76 E 8.65 4.22 0.00 1.94 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 2.28 2.25 0.00 77 G 8.91 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 0.00 0.00 0.00 78 K 7.86 4.82 0.00 1.72 1.78 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.52 7.81 79 T 8.58 4.68 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 1.21 0.00 0.00 80 V 8.26 5.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.92 0.00 0.00 81 V 8.50 4.38 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 1.05 0.00 0.00 0.93 0.00 0.00 82 G 8.94 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 83 L 8.87 4.76 0.00 1.64 1.82 0.94 1.22 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 84 D 7.78 4.75 0.00 2.81 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 85 I 8.03 5.12 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.87 0.99 0.00 0.00 86 N 8.99 5.26 0.00 2.84 2.84 0.00 0.00 6.81 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 87 A 8.24 5.04 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 88 N 9.06 4.90 0.00 2.66 2.68 0.00 0.00 7.14 8.25 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 89 H 8.69 4.84 0.00 3.05 3.25 0.00 5.71 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.96 4.52 0.00 1.63 1.72 0.97 0.82 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 91 R 7.57 4.62 0.00 1.88 1.86 0.00 3.04 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 92 P 0.00 4.46 0.00 2.23 2.13 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 93 V 8.19 4.38 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 0.90 0.00 0.00 0.93 0.00 0.00 94 R 8.41 4.71 0.00 1.81 1.91 0.00 3.32 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 95 S 7.95 4.41 0.00 3.91 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 96 G 8.48 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 0.00 0.00 0.00 97 K 8.38 4.85 0.00 1.82 1.74 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.29 1.42 7.81 98 V 8.04 4.61 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 0.93 0.00 0.00 99 T 8.89 5.10 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 1.29 0.00 0.00 100 A 9.21 5.12 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 0.00 101 R 9.20 5.22 0.00 1.98 1.77 0.00 2.85 0.00 0.00 2.86 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 102 A 9.28 5.64 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 0.00 103 T 9.27 5.26 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 1.40 0.00 0.00 104 P 0.00 3.43 0.00 1.46 0.68 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 105 I 7.87 4.17 1.92 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.56 0.85 0.00 0.00 106 N 7.47 4.58 0.00 2.64 2.53 0.00 0.00 7.00 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 0.00 107 L 8.62 4.74 0.00 1.48 1.60 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.67 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 0.00 109 R 8.61 4.08 0.00 1.82 2.02 0.00 3.34 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 110 N 8.15 4.92 0.00 2.73 2.83 0.00 0.00 6.87 7.29 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 0.00 111 I 7.52 5.24 1.89 0.00 0.00 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 1.36 1.14 0.94 0.00 0.00 112 Q 9.26 5.12 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 113 V 8.85 4.97 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 1.07 0.00 0.00 0.93 0.00 0.00 114 W 9.52 5.08 0.00 3.32 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 0.00 115 Q 9.28 5.14 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 116 I 9.05 5.12 1.93 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.63 0.96 0.00 0.00 117 D 9.07 5.18 0.00 2.59 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 0.00 118 I 8.84 4.98 1.97 0.00 0.00 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 1.25 0.75 0.92 0.00 0.00 119 R 9.03 5.25 0.00 1.67 1.76 0.00 3.06 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 120 T 8.67 4.55 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 1.26 0.00 0.00 121 E 8.61 4.08 0.00 2.10 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 0.00 2.27 2.33 0.00 122 E 7.85 4.41 0.00 1.95 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 2.26 2.40 0.00 123 N 8.24 4.24 0.00 2.83 2.89 0.00 0.00 6.81 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 0.00 124 K 7.68 4.51 0.00 1.77 1.70 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.57 1.38 7.81 125 L 8.50 4.51 0.00 1.63 1.63 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.90 4.76 0.00 3.15 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 0.00 127 C 7.72 5.22 0.00 3.04 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 0.00 128 V 8.62 5.01 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 0.69 0.00 0.00 0.93 0.00 0.00 129 S 9.19 5.08 0.00 3.85 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 R 8.98 5.14 0.00 1.93 1.84 0.00 3.10 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 131 L 9.25 5.24 0.00 1.82 1.61 0.99 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 132 T 8.96 5.14 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 133 L 9.26 5.28 0.00 1.65 1.59 0.93 0.72 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 0.00 134 S 9.02 5.07 0.00 3.77 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 0.00 135 V 8.65 4.91 2.25 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 0.85 0.00 0.00 0.99 0.00 0.00 136 I 8.45 4.74 1.88 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 1.23 0.98 0.92 0.00 0.00 137 N 8.71 4.89 0.00 2.64 2.84 0.00 0.00 6.97 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 0.00 138 L 8.36 4.14 0.00 1.73 1.65 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.