NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 G 4.0123 8.3393 109.7429 46.4859 0.0000 173.7548 10 H 4.5513 9.0121 111.9998 55.9513 31.3517 172.8828 11 M 4.4794 9.3615 119.6401 56.4966 35.4263 177.2298 12 L 4.2023 8.1669 120.3405 54.9471 42.6684 176.5675 13 Y 5.2742 7.8856 125.6713 57.3806 39.7193 172.5117 14 I 3.6870 7.7825 124.3870 60.4348 38.4527 175.9835 15 N 4.3216 7.6767 121.6280 51.9616 39.6960 174.8697 16 S 3.9626 9.0311 124.1565 61.1040 62.8664 176.2100 17 F 3.9106 7.6562 122.8486 61.1499 39.1446 176.4560 18 L 3.8828 7.9078 119.6823 58.5114 41.8097 178.7391 19 D 4.2268 7.6969 118.2895 57.4662 40.3114 179.1294 20 R 3.9460 7.8949 118.5384 59.1445 29.9171 178.7832 21 M 3.8263 7.8663 118.4321 58.4869 32.1339 178.4859 22 G 3.4914 7.9913 105.8669 47.7722 0.0000 175.3078 23 E 3.8938 8.1529 120.8790 59.3128 29.4802 179.7002 24 I 3.8758 7.2900 119.0884 64.5050 37.0321 178.6211 25 I 2.8271 7.3239 119.4214 63.8811 36.9359 178.0530 26 R 4.1792 7.9803 116.6190 56.1584 29.9413 177.1023 27 G 3.9664 7.7128 106.8117 46.5627 0.0000 174.8361 28 E 4.2629 8.2610 120.4973 57.1350 29.9880 176.9643 29 K 4.6694 7.5403 116.1755 53.8399 36.3733 175.8760 30 S 4.2129 8.5278 115.9399 58.4145 62.9437 175.7732 31 V 3.8519 8.4605 126.6927 64.4027 30.9953 178.0180 32 E 3.9655 8.2866 120.6118 59.3067 29.4298 178.3353 33 E 4.0684 8.3752 118.1297 58.6968 29.3790 178.8710 34 A 4.0369 7.9311 121.2472 54.7662 18.0525 179.2117 35 D 4.2268 7.6724 115.7050 57.6766 41.4994 178.3316 36 K 4.1710 7.9838 118.5380 59.3076 31.8949 179.0085 37 L 4.1275 7.6530 119.4795 57.7967 42.0076 177.9703 38 L 4.7477 8.0253 117.1187 53.7235 41.8639 175.8170 39 D 4.8277 7.7205 121.0792 52.9036 41.4133 177.1373 40 Q 4.0945 8.8795 126.6571 59.2573 28.3934 178.6111 41 K 4.0322 8.2047 121.1902 59.5685 32.3036 178.4462 42 N 4.4572 8.4803 116.6230 56.1909 38.4257 177.4886 43 I 3.8833 8.1601 121.3663 64.4403 37.2827 177.8897 44 F 4.1935 8.6608 121.8791 61.7158 39.1635 176.8074 45 E 3.9551 8.4675 118.5784 59.4438 29.3428 178.5541 46 M 4.0378 8.5043 119.0924 58.6477 32.0951 178.8173 47 F 4.1383 8.2988 117.6978 60.3799 38.9252 177.9221 48 R 3.7938 8.1507 117.8723 59.3106 29.9131 178.9018 49 S 4.1138 8.1431 112.6942 61.4937 62.2890 175.5979 50 D 4.3472 8.1976 121.5683 57.9061 40.6492 178.7685 51 C 4.4682 8.7886 117.1813 63.1267 28.2113 175.9843 52 E 4.0916 8.6585 121.1016 59.1984 29.2346 178.4898 53 E 3.9577 8.8685 119.7699 59.2938 29.7940 178.8394 54 I 3.6219 8.0599 120.1842 64.2502 37.0747 178.0943 55 L 4.1886 8.2188 121.1353 58.4325 41.8646 178.6648 56 N 4.4011 8.4560 116.3767 56.3947 38.4688 177.1677 57 L 3.9829 8.0194 120.3128 57.9907 41.7352 179.0642 58 Y 4.2244 8.0739 119.0582 60.7914 38.6222 178.0494 59 K 3.7432 8.3262 118.6288 59.2349 32.3017 178.6562 60 S 4.4378 8.1797 111.4899 57.9644 63.3792 175.0209 61 G 3.8633 7.6712 110.1734 46.1317 0.0000 175.1637 62 K 4.0718 7.7404 118.6910 58.0320 32.2898 177.3814 63 A 4.7590 7.7650 120.7411 49.4058 21.6888 176.3049 64 E 4.2379 8.6023 121.6955 55.8024 31.5930 178.0671 65 K 4.0655 8.8891 122.3600 60.3247 32.2830 178.9879 66 E 4.2058 8.2408 117.9059 59.3497 29.3950 179.0642 67 E 4.0718 8.1473 118.4053 59.3939 29.7349 179.4796 68 V 3.6444 8.0078 112.5191 64.3519 31.5700 178.6849 69 Q 4.2271 8.6211 118.4929 58.8557 28.4364 178.6884 70 R 3.9944 7.9694 119.4095 59.4804 29.7638 178.1140 71 N 4.4442 8.3457 116.8889 56.7503 38.8927 176.9317 72 F 4.5779 8.3315 119.3190 60.6720 39.0101 177.0005 73 Y 4.2005 8.4548 119.2702 60.8210 38.6198 178.2547 74 L 3.8469 8.4729 120.2875 57.4841 41.6680 179.2808 75 L 4.2819 8.4685 120.5638 58.1487 42.1692 178.7820 76 K 3.8835 8.5899 119.9981 60.0580 32.1435 178.8268 77 T 3.7275 7.8418 115.8596 66.4512 68.1849 175.9309 78 Y 3.9783 8.5018 121.9803 60.7345 38.5549 178.4312 79 V 3.2267 7.8886 118.9374 65.9182 31.3600 178.2057 80 V 3.4937 7.4937 116.4138 65.8547 31.5146 177.4960 81 S 4.4240 8.1722 112.9509 59.2254 63.5468 174.8238 82 Q 4.2197 7.9508 120.7305 55.3381 31.1157 176.8971 83 L 3.6378 6.8282 119.8451 58.1493 41.8026 178.8671 84 S 4.0903 7.7841 112.4275 61.3247 62.2201 176.1261 85 I 3.8225 7.5541 122.0742 64.6143 36.9580 177.8579 86 H 4.3427 8.6657 117.5210 58.9019 28.6293 177.3467 87 F 4.2052 8.8464 122.9168 61.5770 39.1300 176.9022 88 E 4.0858 8.2826 118.6762 59.2936 29.5015 178.6163 89 R 3.9713 8.3313 118.5099 59.5732 30.1699 178.8335 90 L 4.0527 8.3239 120.1515 57.8073 42.0414 178.7196 91 K 3.7866 8.4566 120.0607 59.6060 32.1192 178.6925 92 E 3.9795 8.9334 119.1299 59.1459 29.1867 178.6604 93 F 4.0838 8.6111 119.8838 61.4993 39.4120 176.8840 94 A 4.0054 8.0826 118.5000 55.2093 18.4618 179.1326 95 E 4.1043 8.2504 117.3321 59.3916 29.2834 180.4051 96 S 4.4665 7.5468 109.2811 58.6712 62.7947 175.3916 97 K 4.1843 8.0116 117.5204 56.8549 34.7221 173.1165 98 G 3.6267 7.9747 114.9140 44.9803 0.0000 173.3364 *102 E 4.1811 8.9420 127.6818 54.8050 30.3615 177.2984 103 K 4.5137 8.8661 114.8597 55.4509 35.5554 175.4769 104 K 4.8281 8.1605 118.7082 54.7718 35.2075 173.8289 105 L 4.4249 7.5666 120.2915 52.9064 43.6033 175.9176 106 D 4.4755 9.4199 127.4026 53.2605 41.7203 175.8159 107 P 4.1491 0.0000 0.0000 65.9990 31.0719 178.6771 108 E 3.9902 8.0271 116.7432 58.9849 29.4234 179.2553 109 V 3.5380 7.6790 118.5198 65.9070 31.5807 177.9120 110 I 3.3653 7.5629 119.0952 64.4378 36.8793 177.6154 111 N 4.1847 7.9123 117.4417 56.7542 38.7792 176.8121 112 E 4.0546 7.7382 119.9949 59.2349 29.5013 179.4150 113 I 3.0367 7.2384 119.6272 64.0720 37.0612 178.1944 114 A 3.9183 7.7639 121.5238 55.1627 18.0756 179.6458 115 L 3.9055 8.3018 117.8007 58.0941 41.6365 179.1547 116 Y 3.9348 8.1877 119.3891 60.7553 38.9240 178.1077 117 I 3.7994 8.0106 120.7861 64.3883 36.9841 177.9501 118 D 4.2953 7.9455 118.7125 57.6956 40.9775 178.8760 119 R 3.8547 7.9919 118.3140 59.1518 29.8524 178.9221 120 V 3.3445 7.7312 118.0389 66.4074 31.2790 177.9303 121 E 3.3622 7.5759 118.0945 58.6765 29.1021 178.5394 122 K 3.6276 7.5145 118.0064 59.8736 32.2023 178.1344 123 E 4.0007 7.4596 116.0841 59.3895 29.4308 177.4888 124 V 3.1502 8.3436 123.1522 62.8053 31.5334 175.3607 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 9 G 8.34 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 0.00 0.00 0.00 10 H 9.01 4.55 0.00 3.22 3.33 0.00 5.50 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 M 9.36 4.48 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.27 0.00 12 L 8.17 4.20 0.00 1.59 1.75 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 13 Y 7.89 5.27 0.00 2.77 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 14 I 7.78 3.69 1.75 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.57 0.87 0.00 0.00 15 N 7.68 4.32 0.00 1.78 1.86 0.00 0.00 7.23 7.31 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 16 S 9.03 3.96 0.00 3.71 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 17 F 7.66 3.91 0.00 2.92 3.02 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 18 L 7.91 3.88 0.00 1.35 1.56 1.06 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 19 D 7.70 4.23 0.00 2.60 2.58 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 20 R 7.89 3.95 0.00 1.82 1.78 0.00 3.06 0.00 0.00 3.01 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 21 M 7.87 3.83 0.00 1.95 1.50 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 22 G 7.99 3.49 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 0.00 23 E 8.15 3.89 0.00 2.09 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 2.27 2.39 0.00 24 I 7.29 3.88 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.69 1.02 0.00 0.00 25 I 7.32 2.83 1.58 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.46 0.56 0.00 0.00 26 R 7.98 4.18 0.00 1.78 1.94 0.00 3.22 0.00 0.00 3.18 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.72 0.00 27 G 7.71 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 28 E 8.26 4.26 0.00 2.07 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 2.30 2.25 0.00 29 K 7.54 4.67 0.00 1.64 1.62 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.36 7.81 30 S 8.53 4.21 0.00 3.85 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 31 V 8.46 3.85 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 0.71 0.00 0.00 0.95 0.00 0.00 32 E 8.29 3.97 0.00 2.07 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 2.31 2.35 0.00 33 E 8.38 4.07 0.00 2.12 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 0.00 2.32 2.56 0.00 34 A 7.93 4.04 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 35 D 7.67 4.23 0.00 2.68 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 36 K 7.98 4.17 0.00 1.83 1.87 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.45 7.81 37 L 7.65 4.13 0.00 1.72 1.85 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.03 4.75 0.00 1.62 1.34 0.68 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.72 4.83 0.00 2.82 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 40 Q 8.88 4.09 0.00 2.29 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 41 K 8.20 4.03 0.00 1.89 2.12 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.52 7.81 42 N 8.48 4.46 0.00 3.15 2.93 0.00 0.00 7.07 6.98 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 43 I 8.16 3.88 2.15 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.21 0.95 0.00 0.00 44 F 8.66 4.19 0.00 3.19 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 45 E 8.47 3.96 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 46 M 8.50 4.04 0.00 1.88 2.27 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.55 0.00 47 F 8.30 4.14 0.00 3.27 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 48 R 8.15 3.79 0.00 2.02 1.89 0.00 2.92 0.00 0.00 2.72 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.65 0.00 49 S 8.14 4.11 0.00 3.91 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.20 4.35 0.00 2.98 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 51 C 8.79 4.47 0.00 3.54 3.42 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.66 4.09 0.00 2.28 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 0.00 2.39 2.41 0.00 53 E 8.87 3.96 0.00 2.09 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 0.00 2.30 2.35 0.00 54 I 8.06 3.62 1.65 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.85 0.33 0.00 0.00 55 L 8.22 4.19 0.00 2.05 2.08 1.09 0.71 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 56 N 8.46 4.40 0.00 2.97 2.90 0.00 0.00 7.05 6.32 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 57 L 8.02 3.98 0.00 1.98 1.76 0.91 0.80 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 58 Y 8.07 4.22 0.00 3.18 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 59 K 8.33 3.74 0.00 1.91 1.86 0.00 1.85 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.83 7.81 60 S 8.18 4.44 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 61 G 7.67 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 62 K 7.74 4.07 0.00 1.81 1.89 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.38 7.81 63 A 7.76 4.76 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 64 E 8.60 4.24 0.00 2.07 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 2.43 2.39 0.00 65 K 8.89 4.07 0.00 2.16 1.97 0.00 1.80 0.00 0.00 1.84 0.00 0.00 3.15 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.56 1.54 7.81 66 E 8.24 4.21 0.00 2.09 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 0.00 2.42 2.44 0.00 67 E 8.15 4.07 0.00 2.17 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 2.43 2.36 0.00 68 V 8.01 3.64 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 1.04 0.00 0.00 1.10 0.00 0.00 69 Q 8.62 4.23 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.63 0.00 70 R 7.97 3.99 0.00 2.06 2.14 0.00 3.29 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 71 N 8.35 4.44 0.00 3.01 2.73 0.00 0.00 7.26 7.05 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 72 F 8.33 4.58 0.00 3.31 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 73 Y 8.45 4.20 0.00 3.14 3.21 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 74 L 8.47 3.85 0.00 1.85 1.27 0.38 0.38 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 75 L 8.47 4.28 0.00 2.23 2.08 1.18 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 76 K 8.59 3.88 0.00 1.97 1.77 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.47 7.81 77 T 7.84 3.73 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 1.06 0.00 0.00 78 Y 8.50 3.98 0.00 3.34 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.89 3.23 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 0.56 0.00 0.00 0.25 0.00 0.00 80 V 7.49 3.49 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 0.80 0.00 0.00 0.86 0.00 0.00 81 S 8.17 4.42 0.00 3.88 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 82 Q 7.95 4.22 0.00 1.72 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.79 0.00 0.00 0.00 0.00 0.00 2.13 1.79 0.00 83 L 6.83 3.64 0.00 1.45 1.50 0.53 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.78 4.09 0.00 3.81 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 85 I 7.55 3.82 1.97 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 1.65 0.53 0.98 0.00 0.00 86 H 8.67 4.34 0.00 3.43 3.70 0.00 5.66 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 87 F 8.85 4.21 0.00 3.29 3.25 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 88 E 8.28 4.09 0.00 2.25 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 0.00 2.38 2.54 0.00 89 R 8.33 3.97 0.00 2.13 2.01 0.00 3.20 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 1.71 1.87 0.00 90 L 8.32 4.05 0.00 1.68 1.70 0.87 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.46 3.79 0.00 1.56 1.99 0.00 1.85 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.48 7.81 92 E 8.93 3.98 0.00 2.15 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 2.36 2.57 0.00 93 F 8.61 4.08 0.00 2.93 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.08 4.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 E 8.25 4.10 0.00 2.08 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 2.41 0.00 96 S 7.55 4.47 0.00 3.97 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.01 4.18 0.00 1.64 1.63 0.00 1.30 0.00 0.00 1.20 0.00 0.00 2.13 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.17 1.14 7.81 98 G 7.97 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 *102 E 8.94 4.18 0.00 1.99 1.81 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 2.22 2.28 0.00 103 K 8.87 4.51 0.00 2.00 1.88 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.74 7.81 104 K 8.16 4.83 0.00 1.77 1.73 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 1.23 7.81 105 L 7.57 4.42 0.00 0.27 0.30 0.67 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 106 D 9.42 4.48 0.00 2.63 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 P 0.00 4.15 0.00 2.08 2.04 0.00 3.52 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 108 E 8.03 3.99 0.00 1.97 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 0.00 2.37 2.32 0.00 109 V 7.68 3.54 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 0.96 0.00 0.00 1.02 0.00 0.00 110 I 7.56 3.37 1.87 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 1.26 0.50 0.71 0.00 0.00 111 N 7.91 4.18 0.00 2.74 2.91 0.00 0.00 7.25 7.55 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 0.00 112 E 7.74 4.05 0.00 2.01 2.19 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 2.53 2.60 0.00 113 I 7.24 3.04 1.45 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 -0.36 0.27 0.00 0.00 114 A 7.76 3.92 1.26 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 0.00 0.00 0.00 115 L 8.30 3.91 0.00 1.89 1.76 0.93 0.67 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 0.00 116 Y 8.19 3.93 0.00 3.46 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.01 3.80 2.05 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.19 1.06 0.00 0.00 118 D 7.95 4.30 0.00 2.81 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 0.00 119 R 7.99 3.85 0.00 1.78 1.71 0.00 3.08 0.00 0.00 3.03 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 120 V 7.73 3.34 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 1.02 0.00 0.00 0.70 0.00 0.00 121 E 7.58 3.36 0.00 1.31 1.77 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 2.13 2.08 0.00 122 K 7.51 3.63 0.00 1.81 1.82 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.61 7.81 123 E 7.46 4.00 0.00 1.99 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 0.00 2.32 2.40 0.00 124 V 8.34 3.15 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 0.45 0.00 0.00 0.45 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.