NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.5949 8.3349 115.2989 58.1302 63.7015 172.5599 8 K 4.6735 8.1373 121.8252 54.1227 36.7773 174.0314 9 Y 4.6962 10.2203 127.5622 56.7520 39.4129 172.9923 10 I 4.6889 8.3641 127.3341 59.6699 39.5802 174.8809 11 V 4.5713 9.3803 127.6349 61.3584 33.7098 174.2575 12 I 4.8433 8.5587 130.3908 59.9162 39.0812 174.9341 13 F 4.7816 10.0195 127.6329 57.3358 40.8506 173.5710 14 G 3.8175 10.0899 117.5543 46.2384 0.0000 173.1107 15 C 4.6145 9.2285 129.5826 58.8095 32.3699 174.0055 16 G 3.9848 7.6914 110.3650 44.5527 0.0000 173.5789 17 R 3.8162 8.6105 119.0088 60.8007 30.2344 178.6323 18 L 4.1613 8.0090 116.9195 57.2175 41.2932 180.9649 19 G 4.3750 8.3093 106.9560 47.7460 0.0000 175.4471 20 S 4.1840 9.0104 119.5388 61.0291 63.0345 177.3413 21 L 3.9381 7.5106 125.0473 59.3300 40.5778 183.5337 22 I 3.5420 7.4913 120.4519 64.1020 36.9931 178.2583 23 A 3.9429 7.6987 120.9763 55.3442 18.1258 179.3609 24 N 4.3919 8.5767 117.6244 57.0961 38.3197 178.3931 25 L 3.9807 7.8169 123.3693 59.1823 40.9963 181.1345 26 A 4.2116 8.0548 120.8566 55.3617 18.2780 179.7421 27 S 3.9525 8.1877 111.9836 61.5028 62.2838 176.5239 28 S 4.1282 8.0807 115.1803 61.0496 62.9136 174.9791 29 S 4.3358 7.5149 114.4544 58.2110 62.3639 174.3271 30 G 3.7724 7.7362 108.0233 46.6892 0.0000 173.5463 31 H 4.8559 7.5302 115.2958 54.1272 30.6663 175.2188 32 S 4.1553 8.5713 119.3465 58.6104 63.2420 173.8855 33 V 4.6372 7.7407 126.2559 59.5278 34.9921 171.2505 34 V 4.6653 8.2520 122.5044 60.9583 34.7279 174.3021 35 V 4.7040 8.8409 131.0309 62.0568 33.3683 175.1516 36 V 5.0435 8.3112 128.0395 60.1337 33.6272 171.0108 37 D 4.8695 9.2907 124.1015 51.6717 44.4753 175.8121 38 K 4.0113 9.0888 126.4191 58.9471 32.4225 176.5443 39 N 5.0392 8.7893 117.2223 50.5460 40.5478 175.7171 40 E 4.0604 8.9768 122.2985 62.1814 29.4831 179.3708 *41 Y 4.6180 7.9492 120.5503 61.2374 36.8181 180.1726 42 A 4.1885 7.5175 120.1020 55.6344 18.3087 179.2298 43 F 4.4996 8.1451 115.6893 59.7654 38.6956 177.1290 44 H 4.1162 7.7543 114.8386 58.9066 28.4862 177.4040 45 R 4.0849 8.0296 121.7721 58.5326 30.2891 178.2144 46 L 4.0410 6.9678 118.6954 53.8174 41.2956 179.7690 47 N 4.7332 9.0202 120.8199 51.4616 38.2996 175.3896 48 S 4.1787 8.4695 114.1158 61.9641 62.8968 176.6167 49 E 4.1947 7.7828 123.1091 55.7633 27.4387 174.4285 50 F 4.6680 8.0736 128.6443 57.9539 41.0448 174.7368 51 S 4.1735 8.0288 124.7648 58.8597 62.7236 171.3404 52 G 2.8782 5.7519 104.9643 46.7728 0.0000 172.6605 53 F 5.2649 7.4585 118.2158 55.8997 41.8732 175.3994 54 T 4.8491 8.3182 110.5329 59.9101 71.0823 173.1085 55 V 4.3727 8.4862 126.7915 61.0557 33.2465 174.8280 56 V 4.6491 8.7114 128.5755 60.0270 32.3871 175.9730 57 G 4.3289 8.1144 115.3619 45.9084 0.0000 171.4668 58 D 4.6609 8.0792 120.3952 53.1802 41.2540 177.0692 59 A 4.3239 8.8071 130.0391 54.4889 18.6808 177.9394 60 A 3.9952 8.3637 118.4460 54.2214 18.5966 178.1520 61 E 4.3168 8.1833 116.3294 56.1161 30.5104 177.9152 62 F 4.6235 9.2770 127.2414 62.2209 39.4225 177.9472 63 E 4.0169 8.4815 116.4065 61.3853 29.4587 180.8376 64 T 4.3593 7.7017 113.4539 66.9640 68.2527 177.0448 65 L 4.0905 7.8250 120.4377 57.6580 41.5273 179.5621 66 K 4.1876 7.8678 118.5666 59.5044 31.7651 179.2195 67 E 4.0571 7.6682 117.6985 59.0720 29.3919 178.5549 68 C 4.3157 7.7095 114.5590 59.5364 29.3160 173.3441 69 G 3.9253 7.9801 108.9504 46.8582 0.0000 175.2650 70 M 4.1762 7.6649 120.6054 58.1228 32.7855 179.8837 71 E 4.1044 8.6678 116.9779 59.2171 29.8704 183.7586 72 K 4.3758 7.6266 117.8193 53.8817 31.8938 178.0900 73 A 5.0577 7.6951 122.6718 53.0229 19.6505 177.8825 74 D 4.7511 9.1762 121.7593 56.2926 42.7616 176.8223 75 M 5.0802 8.0766 119.3898 54.1815 36.6058 175.2493 76 V 4.9179 8.5318 122.3275 59.6942 35.1647 172.0427 77 F 5.2055 9.8877 125.3904 54.9395 40.8885 175.3990 78 A 4.8391 9.4081 128.4560 50.8872 18.9831 176.9109 79 F 5.0292 9.0201 122.7531 58.3060 40.4317 176.1513 80 T 4.3782 8.9207 109.8864 60.8279 69.6383 174.1548 81 N 4.5010 8.6089 117.6226 53.7692 37.9042 174.1405 82 D 4.9026 7.8677 120.2299 52.6173 43.0435 176.2132 83 D 4.4390 8.9007 126.8296 57.8259 41.0132 178.8327 84 S 4.2424 8.2890 115.0389 61.9968 62.8663 176.7643 85 T 3.9303 8.6121 118.4316 66.9411 68.2925 176.2354 86 N 4.4510 8.7380 118.6890 56.4446 38.4964 177.1935 87 F 4.1507 9.4491 122.9653 61.3262 39.5316 176.8989 88 F 3.8470 8.8093 120.5860 61.2249 39.1062 176.8576 89 I 3.4145 8.3902 119.6643 64.5749 36.8715 178.4513 90 S 4.0361 8.0118 115.5955 61.9597 62.7022 176.7898 91 M 3.9904 7.7714 121.3930 58.3297 31.5037 178.6251 92 N 4.2979 7.8034 116.3389 56.1263 38.7448 177.1416 93 A 4.0243 8.0255 122.3136 55.2952 18.5745 179.7711 94 R 3.5841 8.5389 117.2316 59.3998 30.0212 177.6115 95 Y 4.5606 8.2193 113.5562 58.2896 38.8179 175.9602 96 M 4.4550 8.3157 118.0422 55.4353 34.0301 176.0020 97 F 4.5888 8.1656 113.3697 56.7349 41.2164 174.6890 98 N 4.6096 8.2061 119.1813 54.0896 35.6357 175.5561 99 V 3.9173 8.2817 119.3409 60.8366 33.0504 178.8328 100 E 4.0746 9.0367 121.8283 57.7586 30.0386 173.8047 101 N 4.9249 7.6943 119.3542 51.3723 40.4907 174.4072 102 V 4.7942 8.2493 117.2622 59.4971 35.1286 174.6140 103 I 4.8231 8.5760 126.7049 59.3504 39.8121 174.4968 104 A 5.2640 9.3656 128.8027 49.9997 21.9978 175.1451 105 R 4.0600 8.5480 123.6632 55.5066 30.5843 175.8535 106 V 4.1436 8.0141 127.3820 61.4663 33.3788 175.4591 *107 Y 3.6820 9.7966 130.4827 60.3831 38.7983 175.2384 108 D 4.4478 8.2874 123.3534 53.2394 40.9678 175.0878 109 P 4.2308 0.0000 0.0000 65.4919 31.0724 178.3724 110 E 4.0374 8.4964 116.7884 58.7659 29.7145 178.8045 111 K 4.2212 8.2568 118.6648 58.4211 32.3121 178.9296 112 I 3.6341 7.3439 120.5979 64.5495 36.9601 177.9176 113 K 3.9354 8.1714 118.3628 59.8031 31.7661 178.9497 114 I 3.7809 7.5360 115.9286 63.2098 38.0248 177.7722 115 F 4.4307 8.5420 121.1352 61.6023 38.9996 178.0143 116 E 4.1824 8.3409 117.3005 61.0113 29.3039 180.5068 117 E 4.4233 8.5666 116.6443 58.2035 29.5435 177.2196 118 N 4.9753 8.2441 115.7126 52.3304 39.5026 174.4758 119 G 3.7542 8.2969 105.9456 47.1706 0.0000 175.0496 120 I 4.4721 7.8101 121.7790 59.3664 39.4763 177.6904 121 K 4.2822 8.4819 131.7309 55.8070 32.7661 172.7612 122 T 5.0243 8.4210 112.7660 59.4909 71.9413 173.2753 123 I 4.3716 9.0172 126.0245 59.9818 39.4582 173.9481 124 C 5.3188 8.6008 128.2597 56.0021 33.2819 172.6943 125 P 4.2237 0.0000 0.0000 66.0014 30.9782 178.3441 126 A 4.0121 8.0640 122.6919 55.5740 18.1290 180.5279 127 V 3.6471 7.6437 116.3816 66.0683 32.1199 180.0068 128 L 4.5232 8.0647 119.2242 57.8129 41.4333 179.2844 129 M 4.0687 8.2631 118.6459 58.6327 32.0190 178.0872 130 I 3.9068 7.5260 118.9340 64.5129 37.3554 177.9635 131 E 4.1626 7.9154 121.0389 60.0643 29.4212 180.1510 132 K 4.1010 8.0816 125.5835 60.4517 31.7559 181.8800 133 V 4.0977 8.2742 121.9827 65.5057 31.5053 180.7312 *134 K 4.4377 7.6813 123.9596 60.9715 31.6751 182.8975 135 E 4.3732 7.9711 119.5506 56.0615 29.6045 178.5663 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 7 S 8.33 4.59 0.00 3.88 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 8 K 8.14 4.67 0.00 1.61 1.57 0.00 1.82 0.00 0.00 1.78 0.00 0.00 2.76 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.07 7.81 9 Y 10.22 4.70 0.00 3.10 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 10 I 8.36 4.69 1.82 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 1.11 0.69 1.11 0.00 0.00 11 V 9.38 4.57 2.17 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 0.70 0.00 0.00 0.96 0.00 0.00 12 I 8.56 4.84 1.83 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 1.23 0.55 0.81 0.00 0.00 13 F 10.02 4.78 0.00 3.31 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 10.09 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 15 C 9.23 4.61 0.00 2.93 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 16 G 7.69 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 17 R 8.61 3.82 0.00 1.82 1.99 0.00 3.21 0.00 0.00 3.26 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 18 L 8.01 4.16 0.00 1.57 1.67 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.31 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 20 S 9.01 4.18 0.00 3.93 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 0.00 21 L 7.51 3.94 0.00 1.72 1.72 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.49 3.54 1.47 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 1.45 0.51 -0.14 0.00 0.00 23 A 7.70 3.94 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 24 N 8.58 4.39 0.00 2.67 2.84 0.00 0.00 7.16 6.47 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 25 L 7.82 3.98 0.00 1.68 1.68 0.92 0.90 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 26 A 8.05 4.21 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 27 S 8.19 3.95 0.00 4.11 4.01 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 28 S 8.08 4.13 0.00 4.00 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 29 S 7.51 4.34 0.00 4.03 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 30 G 7.74 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 31 H 7.53 4.86 0.00 3.18 3.31 0.00 5.65 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 32 S 8.57 4.16 0.00 3.90 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 33 V 7.74 4.64 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 0.70 0.00 0.00 0.93 0.00 0.00 34 V 8.25 4.67 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 0.95 0.00 0.00 1.05 0.00 0.00 35 V 8.84 4.70 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 1.05 0.00 0.00 0.99 0.00 0.00 36 V 8.31 5.04 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 0.65 0.00 0.00 0.93 0.00 0.00 37 D 9.29 4.87 0.00 2.48 1.84 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 38 K 9.09 4.01 0.00 1.77 1.83 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.48 7.81 39 N 8.79 5.04 0.00 2.86 2.80 0.00 0.00 7.13 7.57 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 40 E 8.98 4.06 0.00 2.00 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 1.95 0.00 *41 Y 7.95 4.62 0.00 2.31 2.34 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 42 A 7.52 4.19 1.01 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 0.00 0.00 43 F 8.15 4.50 0.00 3.06 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 44 H 7.75 4.12 0.00 3.26 3.38 0.00 5.85 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 45 R 8.03 4.08 0.00 1.99 1.94 0.00 3.24 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 46 L 6.97 4.04 0.00 1.61 1.46 0.92 1.04 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 47 N 9.02 4.73 0.00 2.74 2.85 0.00 0.00 6.97 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.47 4.18 0.00 3.89 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 49 E 7.78 4.19 0.00 2.07 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 2.28 2.31 0.00 50 F 8.07 4.67 0.00 3.06 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 51 S 8.03 4.17 0.00 3.67 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 52 G 5.75 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 0.00 0.00 0.00 53 F 7.46 5.26 0.00 2.99 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 54 T 8.32 4.85 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 0.69 0.00 0.00 55 V 8.49 4.37 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 1.00 0.00 0.00 0.93 0.00 0.00 56 V 8.71 4.65 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 0.82 0.00 0.00 1.10 0.00 0.00 57 G 8.11 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 0.00 0.00 0.00 0.00 58 D 8.08 4.66 0.00 2.74 2.62 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 59 A 8.81 4.32 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.36 4.00 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 61 E 8.18 4.32 0.00 2.32 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 2.38 2.29 0.00 62 F 9.28 4.62 0.00 3.23 3.20 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 63 E 8.48 4.02 0.00 2.10 1.88 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 2.24 1.99 0.00 64 T 7.70 4.36 4.55 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 1.36 0.00 0.00 65 L 7.82 4.09 0.00 1.89 1.57 0.92 0.96 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 66 K 7.87 4.19 0.00 1.67 1.82 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.31 0.51 7.81 67 E 7.67 4.06 0.00 2.20 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 2.35 2.46 0.00 68 C 7.71 4.32 0.00 3.07 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 69 G 7.98 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 0.00 0.00 0.00 70 M 7.66 4.18 0.00 1.90 1.17 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 71 E 8.67 4.10 0.00 1.98 1.88 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 2.23 1.89 0.00 72 K 7.63 4.38 0.00 1.71 1.70 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.32 1.24 7.81 73 A 7.70 5.06 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 9.18 4.75 0.00 2.66 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 75 M 8.08 5.08 0.00 1.74 1.93 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.39 0.00 76 V 8.53 4.92 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 0.76 0.00 0.00 0.93 0.00 0.00 77 F 9.89 5.21 0.00 2.93 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 78 A 9.41 4.84 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 9.02 5.03 0.00 3.06 3.13 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 80 T 8.92 4.38 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 1.40 0.00 0.00 81 N 8.61 4.50 0.00 2.84 2.99 0.00 0.00 5.80 8.06 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 82 D 7.87 4.90 0.00 2.75 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 83 D 8.90 4.44 0.00 2.80 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 84 S 8.29 4.24 0.00 4.08 4.01 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 85 T 8.61 3.93 4.45 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 1.29 0.00 0.00 86 N 8.74 4.45 0.00 3.15 3.05 0.00 0.00 6.76 7.79 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 87 F 9.45 4.15 0.00 2.93 3.29 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 88 F 8.81 3.85 0.00 3.23 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 89 I 8.39 3.41 1.86 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 1.11 0.62 -0.15 0.00 0.00 90 S 8.01 4.04 0.00 3.89 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 91 M 7.77 3.99 0.00 1.77 1.72 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.60 0.00 92 N 7.80 4.30 0.00 2.69 3.03 0.00 0.00 6.90 7.14 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 93 A 8.03 4.02 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 94 R 8.54 3.58 0.00 1.63 1.40 0.00 2.87 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.13 0.00 95 Y 8.22 4.56 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 96 M 8.32 4.45 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 97 F 8.17 4.59 0.00 3.12 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 98 N 8.21 4.61 0.00 2.79 2.93 0.00 0.00 7.18 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 99 V 8.28 3.92 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 0.66 0.00 0.00 0.93 0.00 0.00 100 E 9.04 4.07 0.00 1.98 1.89 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 2.23 1.90 0.00 101 N 7.69 4.92 0.00 2.91 2.64 0.00 0.00 6.88 7.56 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 0.00 102 V 8.25 4.79 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 0.75 0.00 0.00 0.87 0.00 0.00 103 I 8.58 4.82 1.38 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 1.16 0.84 1.17 0.00 0.00 104 A 9.37 5.26 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 0.00 105 R 8.55 4.06 0.00 0.67 1.09 0.00 2.92 0.00 0.00 2.68 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.17 0.00 106 V 8.01 4.14 1.73 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 0.69 0.00 0.00 -0.32 0.00 0.00 *107 Y 9.80 3.68 0.00 2.48 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.29 4.45 0.00 2.73 2.55 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 0.00 109 P 0.00 4.23 0.00 2.18 2.07 0.00 3.63 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 110 E 8.50 4.04 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 111 K 8.26 4.22 0.00 1.99 2.03 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.49 7.81 112 I 7.34 3.63 1.99 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 1.52 0.96 0.91 0.00 0.00 113 K 8.17 3.94 0.00 1.92 1.91 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.53 1.08 7.81 114 I 7.54 3.78 1.80 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 1.52 0.76 0.62 0.00 0.00 115 F 8.54 4.43 0.00 3.41 3.36 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 0.00 116 E 8.34 4.18 0.00 2.00 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 2.24 2.22 0.00 117 E 8.57 4.42 0.00 1.98 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 2.39 2.63 0.00 118 N 8.24 4.98 0.00 2.98 3.05 0.00 0.00 6.94 7.21 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 0.00 119 G 8.30 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 I 7.81 4.47 2.29 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 1.20 0.73 1.17 0.00 0.00 121 K 8.48 4.28 0.00 1.43 1.70 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.38 1.28 7.81 122 T 8.42 5.02 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 1.06 0.00 0.00 123 I 9.02 4.37 2.02 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 1.11 0.63 1.03 0.00 0.00 124 C 8.60 5.32 0.00 2.88 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 0.00 125 P 0.00 4.22 0.00 2.28 2.27 0.00 3.89 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 2.03 1.98 0.00 126 A 8.06 4.01 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 V 7.64 3.65 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 0.86 0.00 0.00 0.93 0.00 0.00 128 L 8.06 4.52 0.00 2.01 1.75 0.92 0.66 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 0.00 129 M 8.26 4.07 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 130 I 7.53 3.91 1.87 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 1.52 0.66 0.91 0.00 0.00 131 E 7.92 4.16 0.00 2.32 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 2.33 2.33 0.00 132 K 8.08 4.10 0.00 1.76 1.81 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.07 7.81 133 V 8.27 4.10 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 0.90 0.00 0.00 0.93 0.00 0.00 *134 K 7.68 4.44 0.00 1.81 1.75 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.39 1.32 7.81 135 E 7.97 4.37 0.00 2.01 1.76 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 2.26 2.13 0.00 * Residues marked with a * may have inaccurate shift predictions.