NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3147 8.1693 120.6329 53.8662 43.0416 176.2542 4 P 4.5480 0.0000 0.0000 62.4351 32.6744 173.7357 5 R 4.7995 9.1897 119.7980 54.3548 33.1947 176.7642 6 V 4.7409 8.3043 122.1296 60.3841 34.4601 174.7541 7 G 4.2273 8.7116 108.3187 45.1073 0.0000 170.9992 8 L 5.2901 8.5082 121.2120 53.5335 45.6480 175.5401 9 G 4.4278 9.2301 111.0287 45.0319 0.0000 171.6701 10 T 5.3337 8.2507 112.3408 60.1449 72.4512 172.3204 11 D 4.6593 8.5068 119.5671 53.4516 45.2355 174.2375 12 V 4.8545 8.2203 123.2461 61.6174 34.6647 174.0896 13 H 5.1829 9.1841 123.6895 53.3724 33.3171 171.2978 14 P 4.8617 0.0000 0.0000 62.6303 32.7260 175.4171 15 I 4.6118 8.1503 123.7678 60.6506 38.0060 175.0127 16 E 4.7062 9.4593 127.1280 53.8510 32.4220 175.0892 17 A 4.4229 8.6764 130.2311 53.7488 19.0669 176.1791 18 G 4.1483 8.9742 111.3040 45.4261 0.0000 174.5428 19 R 3.9570 7.3734 118.6269 55.5787 30.5914 173.7049 20 P 4.5568 0.0000 0.0000 62.8066 32.1477 176.0698 21 C 4.3728 8.9343 125.2790 59.2328 31.4546 171.3872 22 R 5.0665 8.3866 125.3062 54.3591 31.8122 175.5059 23 L 4.8256 8.9497 125.6670 54.8443 45.3551 175.5165 24 L 3.8439 9.6786 124.0979 55.9476 39.0616 174.2368 25 C 3.9517 9.0927 113.0198 60.6932 26.2793 172.8779 26 L 4.7076 7.8684 118.7492 52.8697 44.3646 175.1776 27 E 5.0251 8.3004 119.1652 54.9781 30.6023 176.8483 28 F 4.4923 8.9428 124.3874 56.2581 38.4446 175.2018 29 D 4.9430 8.0722 129.2571 51.9047 39.0953 174.0260 30 D 4.5044 7.3748 123.2001 54.1806 47.3800 175.3659 31 A 4.7951 7.8027 120.0206 49.9513 21.9655 175.1152 32 D 4.5094 8.2003 118.8282 54.8777 41.7993 177.3925 33 G 4.2043 8.5210 111.6207 47.0126 0.0000 172.1568 34 C 4.9516 8.2666 122.6409 57.9099 30.0646 174.5230 35 A 4.3921 8.1848 127.2795 50.2254 17.9468 177.0574 *38 S 4.3437 7.9622 115.2886 57.5140 64.8105 174.5172 39 D 4.5780 8.6295 119.5926 51.9972 40.3960 177.5527 40 G 3.8199 8.1580 106.7048 47.1839 0.0000 175.2320 41 D 4.7785 8.1083 122.3125 52.1290 39.3662 176.3871 42 V 3.5988 8.0143 125.3237 64.4253 31.4866 178.1554 43 A 3.9595 7.9900 120.5571 54.7147 18.3211 179.2784 44 A 3.9662 8.2453 119.3890 55.5414 18.4096 179.6551 45 H 4.1371 8.3565 114.4641 58.9698 28.7973 177.7796 46 A 3.9924 8.0879 122.5351 55.2728 18.1933 179.6806 47 L 3.9299 7.9041 117.3300 58.0268 41.6301 179.4768 48 C 4.0890 8.2161 116.6076 63.1465 28.1761 175.8834 49 D 4.3346 8.2951 120.1118 57.3843 40.3582 178.9332 50 A 4.0300 8.2163 121.2866 55.0584 18.5029 179.7599 51 L 3.8832 7.8713 117.5031 57.8564 41.6968 179.7323 52 L 3.9491 8.0583 119.2856 57.7427 41.6658 179.7679 53 S 4.0590 8.1465 113.9978 61.3789 62.7180 176.1634 54 A 4.0839 8.0391 124.5689 53.8783 18.1847 178.6708 55 A 3.3755 7.5115 115.6210 51.1937 19.1401 177.4122 56 G 3.7900 7.6274 104.9124 46.9293 0.0000 174.5623 57 L 4.5154 8.4694 117.3313 53.9482 42.6589 177.3881 58 G 3.8862 8.5930 104.3281 44.0843 0.0000 170.6901 59 D 4.9968 8.1803 118.9437 51.0926 42.6998 175.8538 60 L 4.2048 8.4856 117.5102 58.2780 41.4806 179.9511 61 G 3.5796 8.1219 105.1773 48.0520 0.0000 175.4278 62 T 3.8510 7.7238 117.2579 66.4534 68.5863 175.7940 63 I 3.8634 7.0360 119.0370 62.1664 37.8679 177.1701 64 F 4.4145 8.0633 115.8471 57.4956 39.9854 177.4360 65 G 3.8873 7.9629 107.5817 45.7967 0.0000 171.8262 66 T 4.4396 8.1940 112.2347 61.6282 69.3935 174.8435 67 D 4.5622 8.8736 128.7446 54.8614 39.9919 173.7244 68 R 4.1271 7.4563 118.7520 55.6287 30.7042 175.3021 69 P 4.3187 0.0000 0.0000 65.5973 31.5521 178.3475 70 Q 3.9036 7.9244 114.2177 57.4169 29.0164 176.3721 71 W 4.7679 7.8111 117.3745 56.0957 30.0730 175.0445 72 R 4.0615 7.5679 118.1093 58.5940 29.2797 176.5204 73 G 3.8576 9.0033 110.7398 45.3133 0.0000 172.3637 74 A 4.2060 7.9160 122.8530 51.9887 19.0210 179.4286 75 S 4.7209 8.9226 118.6277 57.3293 65.7251 175.8868 76 G 3.5530 8.6607 107.2352 47.8899 0.0000 175.6942 77 A 4.0214 8.0027 122.9702 54.9884 18.5095 179.1258 78 D 4.4113 8.0074 116.8811 57.9185 40.8631 179.1647 79 M 3.8732 7.8763 118.8683 58.3110 31.9246 178.9322 80 I 3.7305 7.9770 113.4619 63.8482 37.8751 177.8779 81 R 3.9022 8.2248 120.7646 59.7186 29.7758 177.9500 82 H 4.3636 8.3261 117.4435 59.2122 29.9008 177.3051 83 V 3.4424 8.1011 120.2793 65.9652 31.3927 177.6221 84 R 3.9961 8.6967 118.9353 59.6945 29.8485 178.5608 85 G 3.6720 8.0123 104.7227 47.8490 0.0000 175.6083 86 L 4.0096 8.0844 121.6086 57.4408 41.5098 179.8703 87 V 3.6856 7.9791 118.2145 66.1912 31.5345 178.0573 88 E 4.6263 8.2902 119.6706 59.0244 29.0455 179.1076 89 N 4.4296 8.1764 115.6692 55.8396 38.6892 176.5232 90 A 4.2873 7.8081 119.7391 52.5969 18.6780 177.8727 91 G 3.7005 8.1361 106.5194 45.0770 0.0000 172.8510 92 F 5.3870 7.9004 117.2498 55.3912 42.1276 174.6961 93 V 4.5703 9.1889 122.6035 61.4106 33.5005 174.7251 94 I 4.1382 8.4223 129.0077 61.1496 37.2470 175.8414 95 G 3.8832 9.3235 116.8867 48.1678 0.0000 173.1001 96 N 5.2102 7.7632 116.1550 51.4940 40.8815 172.0885 97 A 5.2631 8.8296 120.1735 50.8931 23.4253 175.2111 98 T 5.2190 8.8213 108.6085 60.1588 72.9811 173.3708 99 V 4.8772 8.8381 122.2002 60.3756 35.3536 173.2724 100 Q 5.0083 9.2618 126.3896 54.2325 31.2310 174.4313 101 V 4.3241 8.7225 127.4402 62.5665 33.3718 174.7735 102 I 4.7608 9.3832 128.8094 60.7778 39.3623 175.0851 103 G 4.0535 7.9379 114.9518 46.4998 0.0000 171.9436 104 N 4.6121 8.7448 117.0414 55.5685 38.8638 176.2740 105 R 4.5907 7.3935 114.3059 53.3561 33.9746 173.3320 106 P 4.3946 0.0000 0.0000 61.8122 32.2490 175.9264 107 K 4.1044 8.2212 118.7585 56.2249 32.5542 177.6312 108 V 3.9105 8.5222 124.1754 65.0956 32.3845 177.9277 109 G 4.0377 8.3829 108.8832 48.3287 0.0000 173.7012 110 P 4.3302 0.0000 0.0000 64.2758 31.6609 177.4977 111 R 4.6113 8.1626 115.8871 55.8048 30.9271 177.7416 112 R 3.9356 8.0790 121.0847 59.7209 29.9846 178.5563 113 E 4.0313 8.1252 117.9531 59.0964 29.4473 178.7483 114 E 3.8909 8.1566 118.8777 59.1870 29.7514 178.5259 115 A 3.9868 8.1747 120.8581 55.3229 18.4293 179.5686 116 Q 3.9515 8.2047 116.5024 59.1487 28.8826 179.2362 117 Q 3.9564 8.1290 118.9781 58.9306 28.9265 178.8228 118 V 3.5889 7.9173 119.3211 66.2050 31.5892 178.0796 119 L 4.1061 8.1759 118.6720 57.6717 41.4427 179.5320 120 S 4.7013 8.1800 116.6330 61.1333 62.4955 176.6148 121 E 3.9732 7.8867 120.0459 59.4206 29.2858 179.0998 122 L 4.1487 7.6422 117.6350 57.5671 41.7595 179.1758 123 V 3.9335 7.9403 117.2302 63.1528 31.5888 176.9214 124 G 3.8747 9.4753 105.3532 45.3689 0.0000 172.4316 125 A 4.6748 7.3861 119.0458 49.4289 23.2049 174.6102 126 P 4.4699 0.0000 0.0000 63.1851 32.4403 175.5482 127 V 4.8700 8.3496 125.4027 61.2755 33.1554 175.0828 128 S 4.8425 8.9811 124.7128 57.5465 64.6345 173.2701 129 V 4.9291 8.9842 124.5252 61.2348 33.7106 174.6001 130 S 4.8780 9.0285 120.8491 57.3478 67.1582 172.1227 131 A 5.1493 8.2478 119.4484 51.2537 21.9844 175.4698 132 T 4.7377 8.9549 114.0258 60.8890 71.6046 173.1699 133 T 4.7049 8.4060 116.5291 60.3021 71.7790 174.1756 134 T 4.3903 8.1461 107.9024 60.7268 69.1280 173.6828 135 D 4.6159 8.8381 118.8079 55.8534 39.8109 174.5647 136 G 3.9875 8.5470 104.9563 44.6797 0.0000 173.4586 137 L 4.5029 7.6379 119.6041 53.7828 43.8731 178.0481 138 G 3.9594 8.5024 111.4618 44.7182 0.0000 173.8523 139 L 3.9974 8.3647 118.3100 59.2074 40.1038 179.2891 140 T 4.5211 7.3286 111.5092 63.7812 69.0524 177.0050 141 G 3.6162 7.8592 108.3901 47.3021 0.0000 175.1553 142 R 4.3945 7.9858 117.7189 55.9048 30.2646 177.0967 143 G 3.9051 7.6396 106.7475 46.5066 0.0000 174.9047 144 E 4.1672 8.4278 121.4776 57.9788 30.0485 176.3740 145 G 4.3808 7.4505 104.2045 45.2298 0.0000 171.5815 146 L 5.1235 8.8906 121.5490 52.9638 45.3686 175.0726 147 A 5.3647 8.7600 125.7362 50.2860 23.0612 174.5594 148 A 5.1001 8.8374 119.4678 50.6038 23.4235 175.2682 149 I 5.1227 8.6495 118.8434 59.3837 41.8991 173.9980 150 A 5.6816 9.4267 129.3195 49.7941 23.0546 174.9456 151 T 5.1994 8.1736 109.3748 60.1069 72.8162 172.6115 152 A 5.1253 8.6120 122.2531 50.5637 23.3452 174.9344 153 L 5.1716 8.8481 122.0821 53.3897 45.0721 175.9136 154 V 5.0792 8.7951 118.4682 59.6415 36.0148 174.3893 155 A 5.1525 9.1204 122.7732 50.0178 22.7991 175.7234 156 A 4.3130 8.7527 122.9176 53.2214 19.3899 177.6333 157 E 4.0645 9.2437 119.1731 56.4659 30.7539 174.7513 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 3 L 8.17 4.31 0.00 1.67 1.68 0.93 0.75 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 4 P 0.00 4.55 0.00 2.16 2.07 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 5 R 9.19 4.80 0.00 1.55 1.79 0.00 3.11 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 6 V 8.30 4.74 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 0.78 0.00 0.00 0.95 0.00 0.00 7 G 8.71 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 8 L 8.51 5.29 0.00 1.62 1.46 0.91 0.98 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 9 G 9.23 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 10 T 8.25 5.33 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 1.20 0.00 0.00 11 D 8.51 4.66 0.00 2.78 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 12 V 8.22 4.85 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 0.87 0.00 0.00 0.91 0.00 0.00 13 H 9.18 5.18 0.00 3.04 3.07 0.00 5.69 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 14 P 0.00 4.86 0.00 2.07 1.96 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 15 I 8.15 4.61 1.86 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.48 0.94 0.00 0.00 16 E 9.46 4.71 0.00 1.95 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 2.18 2.22 0.00 17 A 8.68 4.42 1.25 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 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.97 4.15 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 0.00 19 R 7.37 3.96 0.00 2.02 1.82 0.00 3.52 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.93 0.00 20 P 0.00 4.56 0.00 1.99 2.00 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 21 C 8.93 4.37 0.00 3.27 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 22 R 8.39 5.07 0.00 1.79 1.87 0.00 3.36 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.57 0.00 23 L 8.95 4.83 0.00 1.75 1.71 0.65 0.33 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 24 L 9.68 3.84 0.00 2.01 1.82 1.02 0.99 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 25 C 9.09 3.95 0.00 3.08 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 26 L 7.87 4.71 0.00 1.41 1.14 0.76 0.73 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 27 E 8.30 5.03 0.00 1.86 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 2.21 2.26 0.00 28 F 8.94 4.49 0.00 3.09 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 D 8.07 4.94 0.00 2.67 2.65 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 30 D 7.37 4.50 0.00 2.64 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 31 A 7.80 4.80 1.21 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 0.00 0.00 0.00 32 D 8.20 4.51 0.00 2.67 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 33 G 8.52 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 0.00 0.00 0.00 0.00 34 C 8.27 4.95 0.00 3.09 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.18 4.39 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 *38 S 7.96 4.34 0.00 4.14 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 39 D 8.63 4.58 0.00 2.79 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 40 G 8.16 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 0.00 0.00 0.00 41 D 8.11 4.78 0.00 2.84 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 42 V 8.01 3.60 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 0.75 0.00 0.00 0.83 0.00 0.00 43 A 7.99 3.96 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 44 A 8.25 3.97 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 45 H 8.36 4.14 0.00 3.42 3.33 0.00 5.65 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 46 A 8.09 3.99 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 47 L 7.90 3.93 0.00 1.97 1.74 0.96 0.96 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 48 C 8.22 4.09 0.00 3.16 3.04 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 0.00 0.00 0.00 49 D 8.30 4.33 0.00 2.90 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 50 A 8.22 4.03 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 51 L 7.87 3.88 0.00 1.86 1.69 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.06 3.95 0.00 1.64 1.79 0.90 0.61 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 53 S 8.15 4.06 0.00 4.02 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 0.00 54 A 8.04 4.08 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 55 A 7.51 3.38 1.12 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 0.00 0.00 56 G 7.63 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 57 L 8.47 4.52 0.00 1.53 1.63 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 58 G 8.59 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 59 D 8.18 5.00 0.00 2.97 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 60 L 8.49 4.20 0.00 1.79 1.88 0.84 0.90 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 61 G 8.12 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.72 3.85 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 1.16 0.00 0.00 63 I 7.04 3.86 1.30 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.31 -0.29 0.00 0.00 64 F 8.06 4.41 0.00 2.90 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 65 G 7.96 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 66 T 8.19 4.44 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 1.24 0.00 0.00 67 D 8.87 4.56 0.00 2.76 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 68 R 7.46 4.13 0.00 2.34 2.11 0.00 3.29 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.76 0.00 69 P 0.00 4.32 0.00 2.19 2.07 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 70 Q 7.92 3.90 0.00 1.66 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.87 0.00 0.00 0.00 0.00 0.00 1.30 1.65 0.00 71 W 7.81 4.77 0.00 3.47 3.18 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 72 R 7.57 4.06 0.00 1.97 1.95 0.00 3.20 0.00 0.00 3.32 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 73 G 9.00 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 0.00 0.00 0.00 74 A 7.92 4.21 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 75 S 8.92 4.72 0.00 4.20 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 76 G 8.66 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 77 A 8.00 4.02 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 78 D 8.01 4.41 0.00 3.05 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 79 M 7.88 3.87 0.00 1.81 2.09 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.11 0.00 80 I 7.98 3.73 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 1.43 0.73 0.97 0.00 0.00 81 R 8.22 3.90 0.00 2.23 2.10 0.00 3.14 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.71 0.00 82 H 8.33 4.36 0.00 3.58 3.59 0.00 5.84 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.10 3.44 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 0.92 0.00 0.00 1.04 0.00 0.00 84 R 8.70 4.00 0.00 1.96 2.14 0.00 3.40 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 85 G 8.01 3.67 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 0.00 0.00 0.00 86 L 8.08 4.01 0.00 1.76 1.66 0.61 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 87 V 7.98 3.69 2.24 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 1.08 0.00 0.00 0.90 0.00 0.00 88 E 8.29 4.63 0.00 2.10 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 2.37 2.36 0.00 89 N 8.18 4.43 0.00 2.93 2.89 0.00 0.00 7.01 6.92 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 90 A 7.81 4.29 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 91 G 8.14 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.90 5.39 0.00 3.13 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 9.19 4.57 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 1.08 0.00 0.00 0.94 0.00 0.00 94 I 8.42 4.14 1.89 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 1.28 0.69 0.91 0.00 0.00 95 G 9.32 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 96 N 7.76 5.21 0.00 2.89 2.89 0.00 0.00 5.70 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 97 A 8.83 5.26 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 98 T 8.82 5.22 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 99 V 8.84 4.88 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 0.69 0.00 0.00 0.92 0.00 0.00 100 Q 9.26 5.01 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.03 0.00 0.00 0.00 0.00 0.00 2.24 2.15 0.00 101 V 8.72 4.32 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 0.88 0.00 0.00 0.90 0.00 0.00 102 I 9.38 4.76 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.70 0.89 0.00 0.00 103 G 7.94 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 0.00 104 N 8.74 4.61 0.00 2.70 2.85 0.00 0.00 6.65 7.66 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 0.00 105 R 7.39 4.59 0.00 1.68 1.70 0.00 3.19 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 1.55 0.00 106 P 0.00 4.39 0.00 1.58 1.72 0.00 3.45 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.66 0.00 107 K 8.22 4.10 0.00 1.75 1.81 0.00 1.65 0.00 0.00 1.60 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 108 V 8.52 3.91 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 1.03 0.00 0.00 0.82 0.00 0.00 109 G 8.38 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.33 0.00 2.11 2.16 0.00 3.81 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 2.08 2.14 0.00 111 R 8.16 4.61 0.00 1.98 1.82 0.00 3.01 0.00 0.00 2.76 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 112 R 8.08 3.94 0.00 2.11 1.94 0.00 3.32 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 113 E 8.13 4.03 0.00 2.06 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 2.40 2.37 0.00 114 E 8.16 3.89 0.00 2.01 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 0.00 2.33 2.34 0.00 115 A 8.17 3.99 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 0.00 116 Q 8.20 3.95 0.00 2.30 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.66 0.00 117 Q 8.13 3.96 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 118 V 7.92 3.59 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 1.03 0.00 0.00 0.98 0.00 0.00 119 L 8.18 4.11 0.00 1.79 1.70 0.97 0.89 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 0.00 120 S 8.18 4.70 0.00 3.88 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 0.00 121 E 7.89 3.97 0.00 2.24 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 2.50 0.00 122 L 7.64 4.15 0.00 1.80 1.75 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.94 3.93 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 0.82 0.00 0.00 0.99 0.00 0.00 124 G 9.48 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.39 4.67 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 0.00 126 P 0.00 4.47 0.00 2.09 2.02 0.00 3.80 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 2.12 2.10 0.00 127 V 8.35 4.87 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 0.77 0.00 0.00 0.95 0.00 0.00 128 S 8.98 4.84 0.00 3.80 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 0.00 129 V 8.98 4.93 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 0.83 0.00 0.00 0.98 0.00 0.00 130 S 9.03 4.88 0.00 3.87 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 0.00 131 A 8.25 5.15 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 0.00 132 T 8.95 4.74 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 0.00 133 T 8.41 4.70 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 1.19 0.00 0.00 134 T 8.15 4.39 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 1.20 0.00 0.00 135 D 8.84 4.62 0.00 2.83 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 0.00 136 G 8.55 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 0.00 137 L 7.64 4.50 0.00 1.81 1.56 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.50 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 0.00 139 L 8.36 4.00 0.00 1.92 1.94 0.91 0.35 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 0.00 140 T 7.33 4.52 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 1.23 0.00 0.00 141 G 7.86 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 0.00 142 R 7.99 4.39 0.00 1.81 1.98 0.00 3.42 0.00 0.00 3.22 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 143 G 7.64 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 0.00 0.00 0.00 144 E 8.43 4.17 0.00 2.19 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 0.00 2.31 2.24 0.00 145 G 7.45 4.38 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 0.00 146 L 8.89 5.12 0.00 1.71 1.43 0.91 1.01 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 0.00 147 A 8.76 5.36 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 0.00 148 A 8.84 5.10 1.20 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 0.00 0.00 0.00 149 I 8.65 5.12 1.85 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 1.15 1.32 0.90 0.00 0.00 150 A 9.43 5.68 1.20 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 0.00 0.00 0.00 151 T 8.17 5.20 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 1.20 0.00 0.00 152 A 8.61 5.13 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 0.00 153 L 8.85 5.17 0.00 1.65 1.56 0.92 0.81 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 0.00 154 V 8.80 5.08 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 0.61 0.00 0.00 0.47 0.00 0.00 155 A 9.12 5.15 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 0.00 156 A 8.75 4.31 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 0.00 157 E 9.24 4.06 0.00 2.11 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 0.00 2.15 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.