NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9519 8.1976 109.7367 45.7558 0.0000 174.6516 3 S 4.9121 7.8257 111.5667 56.6180 63.7461 173.5945 4 M 4.2169 8.8014 118.8562 56.6905 32.1981 177.4149 5 E 4.9382 7.8682 116.9441 55.3642 31.8804 177.4067 6 S 4.2650 8.3834 118.0101 62.2345 62.6206 176.4834 7 T 3.8945 8.5256 119.3848 66.2827 68.2024 176.6287 8 Q 3.9491 8.4759 121.5613 59.1657 28.8483 178.2155 9 Q 3.9861 8.0260 118.3172 59.1901 28.8890 178.1379 10 M 4.1627 8.1580 119.0188 58.6048 32.1670 178.1702 11 A 4.0129 8.3364 121.1105 54.9584 18.4022 179.7363 12 V 3.6511 7.8986 117.2353 65.7615 31.5361 178.2172 13 S 4.1979 7.8959 113.8323 60.8397 62.5370 176.6019 14 I 3.7647 7.5654 124.3995 64.3087 36.7999 178.2935 15 I 4.0224 7.6955 120.1082 64.5336 37.2110 177.8762 16 N 4.3972 8.4622 117.4848 56.7959 38.4277 177.7867 17 S 4.1745 8.2559 116.3861 61.5630 62.8228 177.0103 18 S 4.0889 7.8950 118.1319 61.3994 62.6368 176.3883 19 F 3.3594 8.0537 123.3928 61.1212 39.0652 177.0918 20 E 3.5754 8.2583 117.9828 58.9801 29.1153 179.1158 21 A 3.8843 8.0436 120.7675 55.1383 18.4233 179.5460 22 A 3.7878 7.6359 119.2163 55.0821 18.2995 180.0466 23 V 3.1629 7.0839 116.5228 65.8956 31.4946 178.2553 24 V 3.5212 7.5873 117.6689 65.9747 31.2811 177.5184 25 A 3.9068 8.1488 120.4291 55.2234 18.2977 179.3921 26 A 3.8010 7.9471 119.1330 55.4702 18.5083 179.8976 27 T 3.0545 7.8758 108.4682 64.7360 68.6560 176.4167 28 S 4.0484 8.3061 116.3754 60.8130 62.2053 175.8178 29 A 3.9578 7.8073 122.1121 55.2394 18.4249 179.1329 30 L 4.0662 7.6047 117.0678 58.0214 41.6464 179.2827 31 E 4.1142 8.3122 119.0485 59.7222 29.3778 178.7313 32 N 4.4065 8.3937 114.9377 55.8337 38.9941 176.3562 33 M 4.3452 8.2126 119.1232 55.1290 32.1990 177.8560 34 G 4.0334 8.2456 107.8405 45.3203 0.0000 174.2407 35 I 3.9164 7.1807 122.5725 61.6758 37.7119 176.3192 36 E 4.3438 8.5767 120.7339 55.6477 30.5608 173.7630 37 Y 4.8324 7.4423 118.3711 55.6163 41.1145 173.5733 38 D 4.7835 8.6733 119.9214 52.7579 42.3541 175.6914 39 Y 4.4187 9.3000 130.7292 62.0793 38.6693 178.8959 40 Q 4.0829 8.4943 120.6514 60.1510 28.1889 179.7959 41 D 4.5435 8.3271 119.6282 57.5592 41.3660 178.5502 42 I 3.7026 7.7150 119.8532 64.2257 37.0982 177.5667 43 Y 3.7557 8.1435 120.8987 60.7864 38.5660 178.2715 44 S 4.2572 8.7494 114.4163 61.4727 62.5489 176.3342 45 R 3.9248 8.0925 120.9088 59.0959 29.7969 179.1387 46 V 3.5693 7.8542 118.0819 65.9132 31.5207 177.9788 47 K 4.0757 8.1319 119.3532 59.5194 31.8825 178.3382 48 N 4.3365 8.3982 116.8814 56.2985 38.6007 177.3471 49 K 4.0155 8.0459 120.5966 59.4425 32.4253 178.5545 50 F 4.1638 8.7546 121.3111 61.5776 39.2886 176.7424 51 D 4.2583 8.7440 118.8666 57.2630 40.3839 178.5344 52 F 3.9895 7.7730 120.1889 61.2300 39.4611 177.1772 53 V 3.5895 7.5859 118.4291 66.9187 31.5136 178.2158 54 M 4.0346 7.4113 118.4464 58.3468 31.9748 178.0040 55 D 4.7598 7.9726 121.8397 53.5961 41.7763 176.9407 56 D 5.2471 6.9775 120.7465 52.3088 42.1014 178.1896 57 S 4.5986 7.8816 115.1744 57.6863 65.2015 178.6122 58 G 3.8143 7.6828 109.4668 46.6636 0.0000 175.0568 59 V 3.9426 7.2977 116.0957 63.2690 31.4004 176.1770 60 K 4.3492 7.6033 118.6636 57.9253 33.9009 177.3520 61 N 4.2727 7.9518 116.7333 56.3155 38.8914 176.3789 62 N 4.2347 8.4288 118.9573 56.1807 39.2030 175.1208 63 P 4.2935 0.0000 0.0000 66.2897 31.4216 179.2985 64 I 3.8499 8.0205 119.1116 64.9736 35.3668 180.0921 65 G 3.8637 8.0954 107.7369 47.7222 0.0000 175.9296 66 K 3.9831 8.1341 120.8352 59.0334 31.9838 179.2476 67 A 4.0068 8.0918 121.0240 55.3808 18.2895 179.8172 68 I 3.6923 8.0649 118.5976 64.7709 36.9147 178.8444 69 T 3.9359 8.0214 116.7136 66.5009 68.2177 176.9115 70 I 3.7877 7.8571 121.9437 64.4475 37.2030 178.1724 71 D 4.4094 8.4687 120.1115 57.3527 40.3442 178.9247 72 Q 4.0065 7.9702 117.8089 58.8411 28.7871 178.2177 73 A 4.1399 7.5137 120.6980 55.1400 18.4806 179.4268 74 L 4.1205 7.9716 119.0696 57.6000 42.1608 178.7832 75 N 4.4095 7.9060 115.4940 52.0974 38.3220 176.4564 *90 D 4.6033 8.1156 119.0535 53.5445 40.7550 174.5023 91 T 4.4982 7.6959 112.5382 64.0824 70.4809 176.6077 92 S 4.0991 8.3731 116.6607 61.4690 63.4006 176.4837 93 R 3.8486 8.1480 122.3252 58.0157 29.7680 174.6224 94 P 4.4777 0.0000 0.0000 61.6844 30.5511 174.9016 95 A 5.1093 7.9820 135.0000 53.1729 19.5309 179.1358 96 K 4.0044 7.3448 114.3489 59.7563 32.2085 179.7632 97 L 4.1797 7.8155 118.7702 57.6605 41.0018 179.1990 98 D 4.3149 7.9183 117.7739 57.4097 41.3028 177.9898 99 E 4.0286 8.2487 119.1358 59.5005 29.3779 179.0877 100 D 4.4091 8.5038 119.4767 57.1592 40.8317 178.9212 101 V 3.6034 7.7700 118.8436 66.0981 31.5097 177.9033 102 N 4.3507 7.9076 115.7231 55.9755 38.2684 177.3680 103 K 3.8836 8.0313 120.9804 59.5238 32.3245 178.7916 104 L 3.9726 8.2292 119.5735 57.8723 41.5728 179.5736 105 R 3.9271 7.8718 117.8030 59.7889 29.9857 179.0340 106 M 4.0650 7.9940 118.1120 58.6050 31.7133 178.6978 107 M 4.0543 8.1128 118.0642 58.3979 32.4590 178.6162 108 L 4.1149 8.2718 119.3485 57.7765 41.8730 179.1472 109 S 4.2359 8.5907 113.7144 61.7718 62.0429 176.5442 110 S 4.2578 8.2978 117.7663 61.6876 62.6415 176.2755 111 K 4.3750 7.7693 124.8037 56.7310 31.7321 181.2790 112 G 4.1742 8.2409 107.2058 46.3923 0.0000 174.8705 113 I 4.1944 7.0796 121.4667 59.3209 36.2386 175.7319 114 D 4.6776 7.9309 126.1163 52.6074 41.8371 176.5650 115 Q 4.0514 8.7008 119.2810 60.1837 28.5090 179.0118 116 K 3.9566 8.0719 125.1585 59.7949 31.6346 180.7392 117 M 4.2590 8.0258 120.0859 58.2844 31.9332 179.0874 118 R 3.9054 7.8787 118.0354 59.2231 30.2927 179.2452 119 V 3.5391 8.3314 118.1178 66.1071 31.5899 178.0177 120 L 4.2261 7.8713 118.4235 58.0177 41.3063 179.1737 121 N 4.3980 8.3730 115.7591 56.4097 38.9284 176.2855 122 A 4.2074 7.9110 121.1879 54.1014 19.0946 178.3930 123 C 4.0942 7.9272 115.3817 58.9862 28.6772 173.1651 124 F 5.4989 7.6266 118.1836 55.6928 43.1469 174.0551 125 S 4.9255 8.9746 116.1964 56.5852 65.6167 173.0530 126 V 5.0459 8.5961 124.4920 61.7213 34.2306 175.1276 127 K 4.8213 9.1127 130.1991 53.2052 35.7082 175.3842 128 R 3.7045 8.7809 117.9384 59.8963 29.0639 175.2254 129 I 3.1049 6.8662 126.6568 60.0083 34.4088 173.9090 130 P 3.4179 0.0000 0.0000 63.0273 32.2201 177.5192 131 G 3.9692 8.9244 112.5045 45.7215 0.0000 173.4152 132 K 4.6322 7.6089 116.2094 54.9780 37.1566 177.1472 133 S 4.7557 8.2734 114.3366 56.7418 62.3585 172.1487 134 S 4.6787 7.2829 113.2442 58.4756 66.4084 174.6328 135 S 5.1514 8.6212 117.1812 57.4502 66.8093 174.3430 136 I 4.4877 8.7328 122.1815 59.0291 37.5444 175.5694 137 I 5.0292 8.5236 130.2477 59.1865 39.5525 175.9515 138 K 4.8497 8.8981 128.7395 53.5701 36.2563 173.1255 139 C 4.7233 8.8727 121.3563 59.5847 29.2843 173.7542 140 T 4.3522 7.8998 113.1624 60.3239 70.9264 175.7876 141 K 4.0615 8.5582 119.7706 59.4907 31.9739 179.5366 142 L 3.9527 7.7399 119.0375 57.8394 41.5743 179.0114 143 M 3.8593 7.7189 117.6615 58.5387 32.2568 178.1395 144 R 3.8920 7.8480 118.2442 59.6278 30.0537 178.8421 145 D 4.3894 7.9745 117.1921 57.0785 41.0373 178.7329 146 K 4.1155 7.8248 118.8684 59.2735 31.9885 179.2196 147 L 4.0325 8.1559 121.7530 58.5392 41.4665 179.9039 148 E 4.2445 8.0903 115.5046 59.7061 29.6690 178.5521 149 R 4.5495 7.8092 113.1648 56.4588 32.8931 176.4277 150 G 4.0010 7.5125 111.6496 45.8098 0.0000 173.1781 151 E 4.6586 8.7116 123.3746 54.2452 33.3366 172.9403 152 V 3.8300 8.5774 123.9890 60.4830 32.4145 173.9787 153 E 4.3241 8.7247 119.8814 55.1887 29.7163 173.2216 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 G 8.20 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 0.00 0.00 0.00 3 S 7.83 4.91 0.00 4.05 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 4 M 8.80 4.22 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 5 E 7.87 4.94 0.00 1.96 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 2.29 2.27 0.00 6 S 8.38 4.27 0.00 4.06 4.25 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 7 T 8.53 3.89 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 1.21 0.00 0.00 8 Q 8.48 3.95 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 9 Q 8.03 3.99 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.58 0.00 10 M 8.16 4.16 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.71 0.00 11 A 8.34 4.01 1.41 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 0.00 0.00 12 V 7.90 3.65 2.23 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 1.16 0.00 0.00 0.99 0.00 0.00 13 S 7.90 4.20 0.00 4.09 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 0.00 14 I 7.57 3.76 2.09 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 1.55 0.66 0.96 0.00 0.00 15 I 7.70 4.02 2.09 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.56 1.18 0.00 0.00 16 N 8.46 4.40 0.00 2.77 2.95 0.00 0.00 7.14 8.11 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 17 S 8.26 4.17 0.00 4.07 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 18 S 7.90 4.09 0.00 4.13 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 19 F 8.05 3.36 0.00 2.23 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 20 E 8.26 3.58 0.00 2.12 1.92 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 2.60 2.52 0.00 21 A 8.04 3.88 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 22 A 7.64 3.79 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 23 V 7.08 3.16 1.86 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 0.86 0.00 0.00 -0.06 0.00 0.00 24 V 7.59 3.52 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.99 0.00 0.00 25 A 8.15 3.91 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 26 A 7.95 3.80 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 27 T 7.88 3.05 4.08 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 0.00 0.00 0.00 0.95 0.00 0.00 28 S 8.31 4.05 0.00 3.98 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 29 A 7.81 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 30 L 7.60 4.07 0.00 1.69 1.79 0.69 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 31 E 8.31 4.11 0.00 2.45 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 0.00 2.40 2.51 0.00 32 N 8.39 4.41 0.00 2.87 2.88 0.00 0.00 7.10 7.60 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 33 M 8.21 4.35 0.00 2.08 2.26 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.55 0.00 34 G 8.25 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.18 3.92 1.95 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 1.19 0.48 1.00 0.00 0.00 36 E 8.58 4.34 0.00 1.99 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 0.00 2.21 1.86 0.00 37 Y 7.44 4.83 0.00 3.03 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.67 4.78 0.00 2.80 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 Y 9.30 4.42 0.00 3.27 3.08 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 0.00 0.00 0.00 0.00 40 Q 8.49 4.08 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.69 0.00 0.00 0.00 0.00 0.00 2.37 1.99 0.00 41 D 8.33 4.54 0.00 2.94 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 42 I 7.71 3.70 1.65 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 1.75 0.55 0.71 0.00 0.00 43 Y 8.14 3.76 0.00 2.67 2.93 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 44 S 8.75 4.26 0.00 4.08 4.10 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 0.00 0.00 0.00 45 R 8.09 3.92 0.00 2.04 1.96 0.00 3.28 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 46 V 7.85 3.57 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 0.80 0.00 0.00 0.84 0.00 0.00 47 K 8.13 4.08 0.00 1.95 1.96 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.62 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.21 7.81 48 N 8.40 4.34 0.00 3.06 2.88 0.00 0.00 6.69 6.80 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 49 K 8.05 4.02 0.00 1.94 1.87 0.00 1.60 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.58 7.81 50 F 8.75 4.16 0.00 3.26 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 51 D 8.74 4.26 0.00 2.87 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 52 F 7.77 3.99 0.00 3.06 3.28 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 53 V 7.59 3.59 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 0.77 0.00 0.00 1.10 0.00 0.00 54 M 7.41 4.03 0.00 2.18 1.96 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 55 D 7.97 4.76 0.00 2.47 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 56 D 6.98 5.25 0.00 2.76 2.47 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 57 S 7.88 4.60 0.00 3.79 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 58 G 7.68 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.30 3.94 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 0.79 0.00 0.00 0.87 0.00 0.00 60 K 7.60 4.35 0.00 1.73 1.65 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.42 7.81 61 N 7.95 4.27 0.00 2.83 2.88 0.00 0.00 6.85 6.71 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 62 N 8.43 4.23 0.00 2.87 2.76 0.00 0.00 7.14 8.01 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 63 P 0.00 4.29 0.00 2.19 2.08 0.00 3.67 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.14 0.00 64 I 8.02 3.85 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 1.45 0.73 0.91 0.00 0.00 65 G 8.10 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 66 K 8.13 3.98 0.00 1.97 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.45 1.74 7.81 67 A 8.09 4.01 1.41 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 0.00 0.00 68 I 8.06 3.69 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 1.52 0.89 0.91 0.00 0.00 69 T 8.02 3.94 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 70 I 7.86 3.79 2.05 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 1.07 0.91 0.00 0.00 71 D 8.47 4.41 0.00 2.66 2.85 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 0.00 0.00 0.00 72 Q 7.97 4.01 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.96 0.00 0.00 0.00 0.00 0.00 2.39 2.61 0.00 73 A 7.51 4.14 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 74 L 7.97 4.12 0.00 1.80 1.74 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 75 N 7.91 4.41 0.00 2.69 2.61 0.00 0.00 7.07 8.02 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 *90 D 8.12 4.60 0.00 2.78 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 91 T 7.70 4.50 4.34 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 1.23 0.00 0.00 92 S 8.37 4.10 0.00 4.00 4.14 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 93 R 8.15 3.85 0.00 1.83 1.97 0.00 3.08 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 94 P 0.00 4.48 0.00 2.22 2.08 0.00 3.86 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 2.07 1.96 0.00 95 A 7.98 5.11 1.43 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 96 K 7.34 4.00 0.00 1.98 1.88 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.19 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.68 1.63 7.81 97 L 7.82 4.18 0.00 1.73 1.72 0.92 0.74 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 98 D 7.92 4.31 0.00 2.75 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 99 E 8.25 4.03 0.00 2.29 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 2.53 0.00 100 D 8.50 4.41 0.00 2.80 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 0.00 101 V 7.77 3.60 2.27 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 1.03 0.00 0.00 0.97 0.00 0.00 102 N 7.91 4.35 0.00 2.96 2.85 0.00 0.00 6.68 6.69 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 0.00 103 K 8.03 3.88 0.00 1.97 1.98 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.46 1.50 7.81 104 L 8.23 3.97 0.00 1.70 1.71 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 105 R 7.87 3.93 0.00 2.10 1.99 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 106 M 7.99 4.06 0.00 2.06 2.21 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.88 2.57 0.00 107 M 8.11 4.05 0.00 1.97 2.28 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.62 0.00 108 L 8.27 4.11 0.00 1.90 1.71 0.92 0.66 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 0.00 109 S 8.59 4.24 0.00 3.93 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 0.00 110 S 8.30 4.26 0.00 4.04 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 0.00 111 K 7.77 4.38 0.00 1.90 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.32 7.81 112 G 8.24 4.17 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 0.00 113 I 7.08 4.19 1.99 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 1.48 0.66 0.92 0.00 0.00 114 D 7.93 4.68 0.00 2.95 2.85 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 0.00 0.00 0.00 115 Q 8.70 4.05 0.00 2.31 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.62 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 116 K 8.07 3.96 0.00 1.78 1.87 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.11 7.81 117 M 8.03 4.26 0.00 2.01 2.29 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.59 0.00 118 R 7.88 3.91 0.00 1.89 1.98 0.00 3.13 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.02 0.00 119 V 8.33 3.54 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 1.06 0.00 0.00 0.94 0.00 0.00 120 L 7.87 4.23 0.00 1.90 1.84 0.95 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 121 N 8.37 4.40 0.00 2.81 2.90 0.00 0.00 7.25 8.82 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 0.00 122 A 7.91 4.21 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 0.00 123 C 7.93 4.09 0.00 2.74 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 0.00 0.00 0.00 0.00 124 F 7.63 5.50 0.00 2.88 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 0.00 125 S 8.97 4.93 0.00 3.91 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 0.00 126 V 8.60 5.05 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 0.84 0.00 0.00 0.95 0.00 0.00 127 K 9.11 4.82 0.00 1.38 1.59 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.25 1.21 7.81 128 R 8.78 3.70 0.00 1.91 2.10 0.00 3.06 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 0.00 129 I 6.87 3.10 2.04 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 1.41 1.02 0.91 0.00 0.00 130 P 0.00 3.42 0.00 2.06 1.78 0.00 3.67 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 2.02 2.14 0.00 131 G 8.92 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 0.00 132 K 7.61 4.63 0.00 1.85 1.66 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.37 7.81 133 S 8.27 4.76 0.00 3.94 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 0.00 134 S 7.28 4.68 0.00 3.83 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 0.00 135 S 8.62 5.15 0.00 3.70 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 I 8.73 4.49 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 1.23 0.82 0.91 0.00 0.00 137 I 8.52 5.03 1.82 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 1.13 1.01 0.82 0.00 0.00 138 K 8.90 4.85 0.00 1.40 1.59 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.27 7.81 139 C 8.87 4.72 0.00 2.86 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 0.00 140 T 7.90 4.35 4.18 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 1.15 0.00 0.00 141 K 8.56 4.06 0.00 1.79 1.87 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.51 7.81 142 L 7.74 3.95 0.00 1.59 1.64 0.88 0.83 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 0.00 143 M 7.72 3.86 0.00 1.94 1.71 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 1.99 0.00 144 R 7.85 3.89 0.00 2.00 1.95 0.00 3.33 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 145 D 7.97 4.39 0.00 2.77 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 0.00 146 K 7.82 4.12 0.00 1.99 1.84 0.00 1.63 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.43 1.68 7.81 147 L 8.16 4.03 0.00 1.89 1.72 0.93 0.86 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 0.00 148 E 8.09 4.24 0.00 2.08 1.87 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 2.26 2.23 0.00 149 R 7.81 4.55 0.00 1.88 1.73 0.00 3.16 0.00 0.00 3.22 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.74 0.00 150 G 7.51 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.71 4.66 0.00 1.94 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.83 0.00 152 V 8.58 3.83 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 0.00 153 E 8.72 4.32 0.00 1.98 1.74 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 2.19 1.86 0.00 * Residues marked with a * may have inaccurate shift predictions.