NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 32 Q 4.1860 8.3331 118.8144 55.9809 29.9129 173.8562 33 G 3.7641 8.3662 107.4584 43.5655 0.0000 171.4091 34 A 4.4076 9.1270 128.4432 51.8175 20.1005 173.8941 35 G 4.0502 7.5981 104.7783 45.0907 0.0000 172.9633 36 Q 5.2875 9.3016 117.5695 53.9463 32.9086 174.8411 37 L 5.2263 9.3895 123.9274 53.3328 45.7859 174.8954 38 R 4.5617 8.5584 126.9354 54.4348 31.6309 174.9034 39 L 4.9416 8.6586 125.6504 54.7219 44.9731 174.4038 40 S 5.0071 8.7298 112.7140 56.7339 66.0803 172.6207 41 I 4.9894 8.4732 126.4081 59.6748 40.5496 174.2465 42 D 4.8507 9.0124 125.2755 52.4024 45.0729 173.5573 43 A 5.1077 8.5728 125.5194 50.3085 21.2225 176.4224 44 Q 4.1055 8.8965 122.5115 54.8888 30.8307 173.9267 45 D 4.4978 9.3449 126.9663 56.0793 38.1899 173.8769 46 R 3.8469 7.7459 111.7990 57.0472 28.5330 176.3217 47 V 4.7525 7.4941 116.6822 61.1098 34.6884 174.1903 48 L 4.6258 9.0143 129.4063 54.2293 43.2235 175.7685 49 L 4.6738 9.2575 126.9992 53.5187 43.6649 174.7026 50 L 5.0879 8.5611 127.2416 53.2692 44.5372 175.5317 51 H 5.0871 9.3216 123.1485 54.5007 32.3065 172.6156 52 I 3.9248 8.7525 128.6135 60.5740 37.4065 176.6636 53 I 3.9256 8.5521 129.9240 62.4220 37.3965 176.3017 54 E 5.0525 7.4930 117.0164 55.6508 33.2307 173.0656 55 G 4.7560 9.4738 107.0095 44.6132 0.0000 171.8394 56 K 4.8503 9.5890 120.9291 55.2978 36.2257 176.1498 57 G 4.2442 9.5577 114.3516 46.1354 0.0000 173.6955 58 L 4.3409 8.0293 118.8395 54.8946 42.3808 177.2432 59 I 4.5789 8.4847 124.4911 59.4806 39.0916 175.1068 60 S 4.8453 8.5218 122.3161 56.1497 64.8293 175.2036 61 K 3.8914 8.9070 123.9383 58.2680 32.6332 177.2149 62 Q 4.2213 7.5496 120.6577 54.7235 29.3370 173.4749 63 P 4.5501 0.0000 0.0000 62.3612 32.1870 175.5666 64 G 3.7891 8.6839 109.0882 43.8964 0.0000 173.1611 65 T 3.9918 8.2357 109.8609 61.8027 69.5137 173.0436 66 C 4.7097 8.5233 123.0761 58.3282 33.3237 171.9136 67 D 5.4107 9.8399 127.7184 50.7567 41.3972 173.4423 68 P 5.8500 0.0000 0.0000 61.9260 33.8048 174.8809 69 Y 5.4861 8.2020 117.5354 55.9817 41.9699 173.2811 70 V 4.6951 8.7179 120.6412 60.9411 34.3556 174.0771 71 K 5.1380 9.3718 128.8887 54.7005 35.1185 174.4745 72 I 4.9543 8.8983 128.5161 59.8485 40.2534 174.8837 73 S 4.8733 8.4127 119.3657 58.0283 66.7308 172.9207 74 L 5.3210 8.6000 119.1725 52.9922 44.4368 176.4667 75 I 4.9390 8.6265 114.9828 58.6226 41.2347 172.7741 76 P 4.7928 0.0000 0.0000 62.3888 32.4830 175.3924 77 E 4.4937 8.2865 119.3620 55.8543 32.6556 175.6786 78 D 4.6496 8.4855 129.6047 51.1530 39.9073 175.0503 79 S 4.5602 6.9723 111.6986 58.0595 65.4965 175.9057 80 R 4.0137 7.8683 123.1888 55.5512 31.0479 177.7372 81 L 3.9156 7.5291 119.0324 57.7098 41.6344 178.4385 82 R 4.1191 7.7747 114.4541 56.8781 30.6613 176.3148 83 H 4.8723 8.0228 116.1718 56.2567 29.3748 174.9940 84 Q 4.8888 9.1443 119.9866 54.2823 33.3261 174.0965 85 K 5.1623 8.6462 119.9344 55.8131 36.4025 175.3459 86 T 5.2253 8.6541 111.9748 59.6017 71.0620 174.0696 87 Q 4.4155 10.0014 121.1024 56.6730 29.8471 175.5967 88 T 4.9030 8.3800 116.4599 62.2640 70.0724 174.7980 89 V 4.1950 8.9449 128.2176 60.8195 32.3713 173.3125 90 P 4.4500 0.0000 0.0000 63.4456 31.7670 176.1737 91 D 4.3841 9.8211 123.4157 54.6758 39.7993 173.0094 92 C 4.6197 8.6095 118.1896 58.5022 35.2697 173.4431 93 R 4.3662 8.6877 124.7963 56.3549 30.8974 175.6707 94 D 5.5210 7.5945 117.6623 51.0608 40.5796 173.8341 95 P 4.1684 0.0000 0.0000 62.8213 33.2430 177.0726 96 A 4.5983 8.1659 124.4517 50.9239 19.6154 176.1982 97 F 4.3873 8.8020 120.5419 59.9131 39.9759 177.2840 98 H 4.1090 7.9354 113.1430 57.3599 26.6101 174.5361 99 E 4.7851 8.4756 117.3160 54.8871 33.3652 176.4261 100 H 5.0547 8.5515 119.8635 54.2288 31.1059 174.0602 101 F 4.9342 9.3542 119.9184 55.7092 43.5225 174.2054 102 F 4.9975 9.1174 119.2339 56.0677 41.6413 174.7396 103 F 4.7168 9.6386 128.8788 55.3999 40.4479 172.3788 104 P 4.9587 0.0000 0.0000 62.7850 31.9197 176.1141 105 V 4.9908 8.6839 115.8504 59.6382 35.6659 174.4915 106 Q 4.6991 9.0541 119.5143 53.3540 31.9815 175.9052 107 E 3.9086 8.9634 118.0653 59.8886 29.1275 178.3648 108 E 4.2252 8.1559 115.0688 57.9827 29.8206 177.4897 109 D 4.7610 8.5398 119.0251 54.4469 41.4231 177.6257 110 D 4.4233 7.9331 120.6542 57.3847 40.6646 177.9428 111 Q 4.3645 7.8369 114.4417 56.1625 29.3132 175.4986 112 K 4.5921 8.0686 119.6614 55.4349 34.7551 175.4121 113 R 5.0567 8.9211 119.4998 54.3571 33.8782 175.1994 114 L 4.4098 9.2917 125.9258 54.4758 43.3461 174.9689 115 L 4.7417 8.9093 129.5772 53.4157 44.4944 175.0599 116 V 4.5661 8.2629 125.4094 61.4991 34.2295 173.9798 117 T 4.8154 8.8042 124.7721 61.6293 72.0986 173.1255 118 V 4.5118 8.4131 126.2350 61.1672 33.3546 174.6103 119 W 4.8652 8.5963 127.5013 54.7774 32.8877 174.4751 120 N 5.1738 9.3084 122.2938 51.7939 39.5499 174.0142 121 R 4.5864 9.2700 128.0124 56.7056 30.7484 175.4870 122 A 4.9935 8.5639 127.0072 49.7099 21.7666 176.2503 123 S 4.1416 8.9822 113.8368 60.5068 63.1771 174.7746 124 Q 4.5876 7.7997 121.6198 53.7038 31.0946 175.4783 125 S 4.1051 9.0160 122.0354 61.8624 62.9559 177.0367 126 R 3.9186 7.9873 114.2625 58.6510 29.0611 177.1274 127 Q 4.3519 8.0497 116.3154 56.3050 29.3197 176.2058 128 S 4.4834 8.2222 116.3122 58.5682 63.5393 173.9659 129 G 4.2918 8.6525 111.9677 44.2514 0.0000 172.2633 130 L 3.9085 8.2373 124.2058 54.2856 42.3326 176.3312 131 I 3.9076 8.3078 128.2744 63.0072 37.7735 176.1158 132 G 4.0039 7.3976 106.3133 46.4509 0.0000 171.3741 133 C 5.1842 8.5258 113.8219 57.5549 32.8431 172.9454 *135 S 4.5786 8.4878 112.2724 58.7131 64.0076 173.1639 136 F 4.8104 8.8113 118.5346 55.3494 43.2468 174.9874 137 G 3.8982 8.8351 112.4444 45.3938 0.0000 174.4710 138 V 3.5419 8.4513 124.2784 65.8133 32.0136 178.0537 139 K 4.0510 7.7754 119.5035 59.7258 32.0724 178.6844 140 S 4.1604 8.0800 112.7793 61.3128 62.1141 175.9055 141 L 4.0490 7.5883 120.6261 57.2624 41.3917 178.4648 142 L 4.3358 7.4610 116.1496 54.1134 41.9405 176.8858 143 T 3.6504 8.0413 115.1208 63.2005 65.7494 175.5638 *146 K 3.9591 8.8328 115.9165 56.1357 33.7657 173.5500 147 E 4.4697 8.6805 126.6326 54.5240 31.4528 174.7677 148 I 4.4681 7.9228 128.3698 59.8806 38.3847 175.4491 149 S 4.5731 8.2445 119.8888 60.0531 64.5067 174.9028 150 G 3.6610 7.8185 117.6616 44.5890 0.0000 170.5625 151 W 4.9293 8.4003 120.5007 56.3004 30.8317 175.3982 152 Y 4.9839 9.3637 121.0590 56.2933 41.8560 174.3991 153 Y 4.8006 9.0351 120.0515 57.7789 39.4856 175.2982 154 L 4.4721 9.1896 123.8050 54.0334 43.1756 176.7713 155 L 4.8402 8.8073 125.2825 52.8291 44.4886 176.5990 156 G 3.9763 8.3627 108.7661 45.0210 0.0000 174.3920 157 E 3.7696 8.5329 118.3383 59.0915 29.3747 178.3253 158 H 4.6628 7.7160 115.6748 57.7312 29.8623 176.5662 159 L 4.0202 7.9191 121.6103 58.3495 41.6550 179.1413 160 G 3.5976 8.2139 104.4263 47.1752 0.0000 174.9033 161 R 4.2321 7.6690 118.1335 57.0416 30.4392 176.7727 162 T 4.4117 7.4115 108.1818 61.4948 70.5298 173.6496 163 K 4.2286 7.2192 118.7491 56.8941 34.7579 173.2825 164 H 4.8233 8.0499 112.5821 54.2670 31.5414 172.6101 165 L 4.8849 8.3814 119.5980 53.1366 45.2896 176.1575 166 K 3.9834 8.9032 123.6054 56.3276 34.0423 176.9077 167 V 3.8157 8.0400 122.5070 61.4460 31.6779 175.8158 168 A 4.0333 8.7787 131.1717 52.9932 18.6932 177.4349 169 R 3.9816 8.6484 121.2775 57.1292 31.0964 177.0472 170 R 3.6700 8.5635 114.5056 57.2898 27.2747 176.2296 171 R 4.2124 7.8515 119.5219 56.8485 30.0232 176.9583 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 32 Q 8.33 4.19 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 33 G 8.37 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 9.13 4.41 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 35 G 7.60 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 36 Q 9.30 5.29 0.00 2.12 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.70 0.00 0.00 0.00 0.00 0.00 1.97 2.27 0.00 37 L 9.39 5.23 0.00 1.75 1.53 1.04 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.56 4.56 0.00 0.67 0.85 0.00 2.52 0.00 0.00 2.80 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.50 0.00 39 L 8.66 4.94 0.00 1.68 1.58 0.52 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.73 5.01 0.00 3.82 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 41 I 8.47 4.99 1.45 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.34 0.66 0.00 0.00 42 D 9.01 4.85 0.00 2.67 2.39 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 43 A 8.57 5.11 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 44 Q 8.90 4.11 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.19 0.00 0.00 0.00 0.00 0.00 2.27 2.49 0.00 45 D 9.34 4.50 0.00 2.83 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 46 R 7.75 3.85 0.00 2.04 2.26 0.00 3.08 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 47 V 7.49 4.75 2.36 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 1.27 0.00 0.00 1.02 0.00 0.00 48 L 9.01 4.63 0.00 1.83 1.54 0.82 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 49 L 9.26 4.67 0.00 1.57 1.61 0.20 0.53 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 50 L 8.56 5.09 0.00 1.73 1.50 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 51 H 9.32 5.09 0.00 3.02 3.05 0.00 5.59 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.75 3.92 1.97 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 1.05 0.28 0.73 0.00 0.00 53 I 8.55 3.93 1.67 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.44 0.69 0.00 0.00 54 E 7.49 5.05 0.00 2.11 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 1.99 2.00 0.00 55 G 9.47 4.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 9.59 4.85 0.00 1.90 1.60 0.00 1.29 0.00 0.00 1.39 0.00 0.00 2.62 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.50 7.81 57 G 9.56 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 0.00 0.00 0.00 0.00 58 L 8.03 4.34 0.00 1.59 1.67 1.02 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.48 4.58 1.87 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 1.47 0.88 0.91 0.00 0.00 60 S 8.52 4.85 0.00 3.87 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 61 K 8.91 3.89 0.00 1.88 1.97 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.40 7.81 62 Q 7.55 4.22 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 7.04 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 63 P 0.00 4.55 0.00 2.19 2.07 0.00 3.77 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 2.00 1.97 0.00 64 G 8.68 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 65 T 8.24 3.99 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 1.28 0.00 0.00 66 C 8.52 4.71 0.00 3.05 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 67 D 9.84 5.41 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 5.85 0.00 2.37 2.28 0.00 4.27 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.02 0.00 69 Y 8.20 5.49 0.00 3.19 3.16 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 0.00 0.00 0.00 70 V 8.72 4.70 1.66 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 0.71 0.00 0.00 0.22 0.00 0.00 71 K 9.37 5.14 0.00 2.08 1.89 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.47 7.81 72 I 8.90 4.95 1.74 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.47 0.66 0.00 0.00 73 S 8.41 4.87 0.00 3.79 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 74 L 8.60 5.32 0.00 1.60 1.60 1.07 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.63 4.94 1.88 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 1.42 1.07 0.93 0.00 0.00 76 P 0.00 4.79 0.00 2.22 2.09 0.00 3.81 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 1.98 1.95 0.00 77 E 8.29 4.49 0.00 1.96 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 2.24 2.32 0.00 78 D 8.49 4.65 0.00 2.69 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 79 S 6.97 4.56 0.00 3.81 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 80 R 7.87 4.01 0.00 1.76 1.68 0.00 3.15 0.00 0.00 3.32 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.53 0.00 81 L 7.53 3.92 0.00 1.59 1.72 0.90 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 82 R 7.77 4.12 0.00 1.92 1.71 0.00 3.25 0.00 0.00 3.66 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 83 H 8.02 4.87 0.00 3.15 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 Q 9.14 4.89 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.64 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 85 K 8.65 5.16 0.00 1.91 1.82 0.00 1.30 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.47 7.81 86 T 8.65 5.23 4.65 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 1.25 0.00 0.00 87 Q 10.00 4.42 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.67 0.00 0.00 0.00 0.00 0.00 2.88 2.58 0.00 88 T 8.38 4.90 4.31 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 1.47 0.00 0.00 89 V 8.94 4.19 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 0.89 0.00 0.00 0.68 0.00 0.00 90 P 0.00 4.45 0.00 2.14 2.08 0.00 3.99 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 91 D 9.82 4.38 0.00 2.65 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 0.00 92 C 8.61 4.62 0.00 2.89 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 93 R 8.69 4.37 0.00 1.82 1.96 0.00 3.13 0.00 0.00 3.35 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 94 D 7.59 5.52 0.00 2.49 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 95 P 0.00 4.17 0.00 1.08 1.98 0.00 3.82 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 96 A 8.17 4.60 1.23 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 97 F 8.80 4.39 0.00 3.15 3.16 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 0.00 0.00 0.00 98 H 7.94 4.11 0.00 3.29 3.37 0.00 5.59 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.48 4.79 0.00 2.04 1.53 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 0.00 2.25 2.55 0.00 100 H 8.55 5.05 0.00 2.92 2.99 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 9.35 4.93 0.00 2.85 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 0.00 102 F 9.12 5.00 0.00 2.94 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 0.00 103 F 9.64 4.72 0.00 3.08 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 0.00 104 P 0.00 4.96 0.00 2.15 2.09 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 1.92 1.97 0.00 105 V 8.68 4.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.03 0.00 0.00 106 Q 9.05 4.70 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 107 E 8.96 3.91 0.00 2.11 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 0.00 2.40 2.51 0.00 108 E 8.16 4.23 0.00 1.98 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 2.33 2.47 0.00 109 D 8.54 4.76 0.00 2.86 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 0.00 110 D 7.93 4.42 0.00 2.83 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 0.00 111 Q 7.84 4.36 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 112 K 8.07 4.59 0.00 1.81 1.87 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.43 7.81 113 R 8.92 5.06 0.00 1.64 1.74 0.00 3.09 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 114 L 9.29 4.41 0.00 1.61 1.67 0.36 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.91 4.74 0.00 1.70 1.44 0.84 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.26 4.57 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 0.87 0.00 0.00 0.93 0.00 0.00 117 T 8.80 4.82 4.28 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 0.33 0.00 0.00 118 V 8.41 4.51 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 1.08 0.00 0.00 0.87 0.00 0.00 119 W 8.60 4.87 0.00 1.78 2.67 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 0.00 120 N 9.31 5.17 0.00 2.83 2.94 0.00 0.00 6.98 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 0.00 121 R 9.27 4.59 0.00 2.25 2.09 0.00 3.29 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 122 A 8.56 4.99 1.36 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 0.00 0.00 123 S 8.98 4.14 0.00 4.00 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 0.00 124 Q 7.80 4.59 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 125 S 9.02 4.11 0.00 3.86 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 0.00 126 R 7.99 3.92 0.00 1.92 2.07 0.00 3.03 0.00 0.00 3.24 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 127 Q 8.05 4.35 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 128 S 8.22 4.48 0.00 3.96 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 0.00 129 G 8.65 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 0.00 0.00 0.00 0.00 130 L 8.24 3.91 0.00 0.85 1.24 0.41 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.31 3.91 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.61 0.93 0.00 0.00 132 G 7.40 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 0.00 133 C 8.53 5.18 0.00 2.93 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 *135 S 8.49 4.58 0.00 3.86 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 0.00 136 F 8.81 4.81 0.00 2.81 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.84 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.45 3.54 2.40 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 0.86 0.00 0.00 0.93 0.00 0.00 139 K 7.78 4.05 0.00 2.00 1.80 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 140 S 8.08 4.16 0.00 3.96 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 0.00 141 L 7.59 4.05 0.00 1.89 1.66 0.81 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.46 4.34 0.00 1.80 1.71 0.95 0.68 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 0.00 143 T 8.04 3.65 4.28 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 1.34 0.00 0.00 *146 K 8.83 3.96 0.00 1.79 1.76 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.28 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.53 7.81 147 E 8.68 4.47 0.00 1.98 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 2.18 2.30 0.00 148 I 7.92 4.47 1.53 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.21 0.24 0.00 0.00 149 S 8.24 4.57 0.00 3.82 3.73 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 0.00 150 G 7.82 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 W 8.40 4.93 0.00 3.16 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 0.00 152 Y 9.36 4.98 0.00 2.86 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 0.00 153 Y 9.04 4.80 0.00 3.01 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 0.00 154 L 9.19 4.47 0.00 1.70 1.60 1.02 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.81 4.84 0.00 1.62 1.56 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 156 G 8.36 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 0.00 157 E 8.53 3.77 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.87 0.00 158 H 7.72 4.66 0.00 3.18 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 L 7.92 4.02 0.00 1.72 1.63 0.89 0.95 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 0.00 160 G 8.21 3.60 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 0.00 0.00 0.00 161 R 7.67 4.23 0.00 1.90 1.95 0.00 3.23 0.00 0.00 3.28 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 162 T 7.41 4.41 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 1.24 0.00 0.00 163 K 7.22 4.23 0.00 1.69 1.73 0.00 1.48 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.18 1.28 7.81 164 H 8.05 4.82 0.00 2.94 2.52 0.00 5.48 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.38 4.88 0.00 1.78 1.76 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 166 K 8.90 3.98 0.00 1.30 1.08 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.63 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.44 1.39 7.81 167 V 8.04 3.82 1.90 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 0.47 0.00 0.00 0.24 0.00 0.00 168 A 8.78 4.03 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 0.00 169 R 8.65 3.98 0.00 1.81 2.00 0.00 3.37 0.00 0.00 3.24 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 170 R 8.56 3.67 0.00 1.93 1.97 0.00 3.33 0.00 0.00 3.22 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 171 R 7.85 4.21 0.00 1.96 1.93 0.00 3.24 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 1.53 1.61 0.00 * Residues marked with a * may have inaccurate shift predictions.