NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 V 4.0273 8.0549 120.3928 62.5030 32.6780 174.3668 6 K 4.3618 8.5629 126.0290 53.0644 33.6702 173.9408 7 T 4.7125 8.8647 114.2212 58.8042 72.9359 170.8513 8 P 4.5233 0.0000 0.0000 62.4404 32.1886 176.5667 9 L 4.4007 8.7485 121.2083 54.5426 43.3574 175.7525 10 L 5.1915 8.5590 123.0670 53.5765 44.3991 175.0178 11 A 5.2359 9.0049 126.6807 50.8247 23.6628 174.1900 12 T 5.1244 8.8385 112.4816 61.0000 71.4224 172.3627 13 D 5.4356 9.0800 126.3476 52.5722 45.5740 174.6623 14 V 4.8698 8.3396 119.4265 61.4097 34.8827 175.1808 15 I 4.0499 8.9494 128.9914 60.1832 38.3108 174.9684 16 I 4.6198 8.0503 129.4705 59.9797 38.6441 175.5566 17 R 4.7961 9.1521 128.4956 55.6809 31.2685 175.5591 18 L 5.1000 8.7934 127.3978 53.6718 43.7895 175.3204 19 W 5.2585 9.3058 125.3523 55.0663 32.8026 175.2410 20 D 4.8646 9.1814 122.2563 52.2767 41.5064 176.8723 21 G 4.1406 8.0605 117.3451 46.3513 0.0000 173.1190 22 E 4.4073 9.0024 124.1890 56.5651 29.9232 175.4366 23 N 4.8422 8.1072 118.5816 51.7724 39.3761 174.2723 24 F 3.7978 8.7134 126.2537 57.7510 39.9854 174.8696 25 K 3.9621 8.6846 127.1605 56.2439 33.6682 175.8952 26 G 3.1397 5.3800 104.3358 43.8922 0.0000 171.7759 27 I 5.1919 8.2829 121.1911 58.6122 40.9703 176.1125 28 V 4.6309 8.2610 127.4317 61.6615 32.5260 174.7707 29 L 4.9790 9.4429 127.5883 52.9851 46.0077 175.2257 30 I 4.8894 8.8451 120.7706 59.6373 40.4511 174.8713 31 E 4.6154 9.4651 128.8527 55.0191 30.5187 175.0158 32 R 4.5782 8.9777 128.1237 55.9012 30.8902 177.4705 33 K 4.2561 8.7668 125.0341 56.9858 33.0910 175.9140 34 Y 5.0276 7.4828 116.7794 55.3387 39.8872 173.5493 35 P 4.3654 0.0000 0.0000 62.3417 31.7024 174.2318 36 P 4.2458 0.0000 0.0000 62.1123 31.8766 176.0250 37 V 3.8057 8.2163 123.5664 61.2678 32.2759 176.2489 38 G 3.9275 7.4197 113.5755 44.3575 0.0000 171.2449 39 L 4.8978 7.8817 119.9247 54.7519 42.9697 176.5110 40 A 5.1070 8.8854 123.0398 50.5198 23.1437 175.7312 41 L 4.5480 8.7574 119.3069 53.8792 42.8614 175.4061 42 P 4.5744 0.0000 0.0000 62.1307 33.0206 176.3988 43 G 4.2144 7.5939 108.4385 46.7672 0.0000 170.7648 44 G 3.7585 7.0865 106.8154 45.1811 0.0000 172.3330 45 F 4.7187 8.4849 117.7285 57.3898 39.6693 175.7339 46 V 4.1287 8.6724 122.9233 62.4598 32.4324 175.4239 47 E 4.5809 9.5095 127.5130 54.8178 31.5990 176.1391 48 V 3.7698 8.2591 122.5177 64.3949 31.9009 175.9545 49 G 4.1384 9.0684 115.3009 45.0582 0.0000 173.0868 50 E 4.8780 7.5846 116.6130 54.0953 32.1887 176.8054 51 R 4.2135 9.2212 120.0559 55.8545 32.1458 178.2849 52 V 3.7217 8.3941 120.2267 66.4908 31.5968 178.3308 53 E 3.5271 8.1211 117.6659 59.0585 29.2358 179.0148 54 E 3.9413 7.9632 118.2728 59.0499 29.5810 178.8512 55 A 4.0664 8.1642 120.7013 54.9594 18.2263 179.4705 56 A 3.8915 7.9484 118.0570 55.2988 18.5676 179.1751 57 A 4.0238 7.5305 117.7882 55.3810 18.6168 179.5210 58 R 4.0362 8.0448 116.8904 59.5204 30.1795 179.9586 59 E 4.2797 8.2144 116.7871 56.5578 29.4207 179.0570 *61 R 4.1931 7.9524 120.3154 56.5766 31.9162 177.3203 62 E 3.9771 8.4062 115.8545 59.4690 29.5359 178.3045 63 E 4.2689 8.7201 117.2185 57.9181 30.0490 177.4561 64 T 4.3592 7.7518 106.5625 60.2617 70.6118 175.6349 65 G 3.9027 8.0501 109.2254 45.7245 0.0000 173.3882 66 L 4.4077 7.5602 119.0814 53.2091 43.0672 176.3358 67 E 4.2787 8.4961 122.5614 54.9607 29.1130 174.9933 68 V 4.4045 8.0659 126.6917 61.3188 33.1548 174.8623 69 R 4.3454 8.7283 129.3860 54.9461 31.0467 175.4361 70 L 4.2947 8.4540 127.3375 55.4423 41.6880 176.2570 71 H 4.8388 9.2678 123.3776 57.3053 32.0226 174.5976 72 K 4.7203 7.8072 117.6285 54.8922 35.5258 175.3425 73 L 4.1805 8.7301 129.0777 54.7937 43.3991 175.5321 *75 G 3.6297 8.3666 108.6054 46.0320 0.0000 171.5789 76 V 4.7862 7.7432 118.9616 61.0975 33.8933 174.0317 77 Y 4.5569 8.8910 126.4548 56.0877 39.7236 176.4027 78 S 4.7214 8.5624 117.0039 57.4876 64.2871 173.2611 79 D 4.3656 8.3283 121.1127 54.6027 41.1166 175.1845 80 P 3.8638 0.0000 0.0000 65.5706 31.3942 176.7676 81 E 4.5504 8.5580 115.2682 56.0155 29.6851 177.2653 82 R 4.0924 8.4839 119.1117 58.1170 30.0710 176.0757 83 D 5.2068 7.9740 118.4177 51.3577 43.1229 174.6556 84 P 4.4891 0.0000 0.0000 65.3100 31.7665 177.8221 85 R 4.0320 8.7337 117.8152 57.2727 30.1753 175.9290 86 A 4.1690 6.6130 117.7367 52.2336 22.9991 174.7802 87 H 4.6792 8.0917 118.7515 56.1018 30.4273 174.2182 88 V 4.8539 8.5030 125.9332 61.0328 33.9139 174.5189 89 V 4.5382 8.8327 128.1307 61.2642 33.7542 174.0334 90 S 5.0376 8.8547 122.5267 56.4748 65.2151 172.6333 91 V 4.2057 8.6392 127.6130 61.7170 32.6251 174.4402 92 V 4.7813 8.4242 129.0909 61.1575 32.8858 174.9706 93 W 5.0531 8.9745 126.8949 54.9769 33.0521 174.3428 94 I 4.8165 8.8369 122.5263 59.7471 39.4747 175.3268 95 G 4.6203 9.2808 113.1022 44.8556 0.0000 170.5323 96 D 5.8500 9.1197 117.8646 52.6658 45.1739 175.2722 97 A 5.0106 9.1996 121.8579 50.8072 23.0267 175.3233 98 Q 5.0161 9.0534 118.8145 54.7307 32.2979 175.6467 99 G 3.8074 8.9357 106.6604 44.7387 0.0000 171.6797 100 E 4.6040 8.1861 118.8405 53.3248 31.2595 174.1064 101 P 4.5731 0.0000 0.0000 61.9067 32.7123 176.1674 102 K 4.1527 8.7394 120.0898 56.5910 33.3812 177.9525 103 A 3.6950 8.3973 122.1450 53.3950 18.5067 178.7082 104 G 4.1527 7.6480 98.1158 46.1398 0.0000 172.8523 105 S 4.5019 7.9204 113.7471 56.8767 64.3140 173.9022 106 D 4.3317 8.5372 119.4886 57.2332 41.1510 176.9594 107 A 3.6663 7.7825 120.2661 53.7433 19.4143 176.8508 108 K 4.7189 7.9626 114.6281 54.5764 34.0021 174.6897 109 K 4.4972 8.6310 123.2514 55.6892 33.6447 176.0863 110 V 4.3182 8.3174 125.5923 62.5249 32.4031 175.4400 111 K 4.5304 9.3613 126.7820 54.5755 36.1686 175.1241 112 V 4.6098 8.1712 124.2577 61.4770 33.1114 174.3054 113 Y 4.7966 8.8319 125.4795 55.8865 41.3547 175.8475 114 R 4.2402 8.6357 122.3521 55.8945 30.9778 177.8290 115 L 4.1113 8.5501 120.9498 58.0050 41.7630 178.3238 116 E 4.2784 8.1606 115.3153 57.4689 29.7609 176.7208 117 E 4.6900 8.0103 117.3855 55.7967 30.4251 175.9130 118 I 3.3501 7.6691 120.8720 60.4918 37.6289 174.9849 119 P 4.4636 0.0000 0.0000 61.0628 30.1346 176.1682 120 L 3.8400 8.3050 127.2535 58.7977 41.8158 178.8346 121 D 4.7527 7.9655 114.3249 54.7381 41.0139 176.8250 122 K 4.3174 8.0553 119.8349 56.6736 33.0524 176.7722 123 L 4.5376 7.4100 119.4031 54.7610 42.1533 177.0400 124 V 4.1437 8.4800 116.4607 59.9653 34.6263 175.9357 125 F 3.9332 8.0322 117.6435 58.3066 37.1187 176.2142 126 D 4.9926 8.5378 123.9821 54.7758 39.8994 178.3266 127 H 4.2942 8.2495 119.4816 58.8753 28.4571 177.3103 128 K 3.9539 7.9682 121.8542 59.2848 32.0956 178.7641 129 K 3.9897 7.9315 118.3211 59.4608 32.0854 179.2405 130 I 3.3925 7.4146 119.7722 64.4360 36.9021 178.6568 131 I 3.8650 7.8761 120.6627 64.3348 36.8402 178.5572 132 L 4.0722 8.2356 120.0590 57.8176 41.3554 179.2118 133 D 4.4627 8.4755 119.1005 57.2657 40.8020 178.6119 134 F 4.4817 8.4170 121.0501 61.6143 39.2831 177.2657 135 L 3.7508 8.2143 117.3836 57.2024 41.4839 178.8033 136 K 4.3014 8.1890 116.0341 55.6918 32.3266 177.3342 137 G 3.5612 7.5757 107.1312 46.4639 0.0000 175.1866 138 N 4.6463 8.1264 118.4087 50.2956 36.9884 175.1051 139 Y 4.3999 6.9472 119.2378 57.6027 37.4073 175.0376 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 5 V 8.05 4.03 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 0.99 0.00 0.00 0.93 0.00 0.00 6 K 8.56 4.36 0.00 1.84 1.71 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.49 7.81 7 T 8.86 4.71 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 8 P 0.00 4.52 0.00 1.84 1.63 0.00 3.64 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.04 0.00 9 L 8.75 4.40 0.00 1.80 1.70 0.80 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 10 L 8.56 5.19 0.00 1.79 1.57 1.00 1.03 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 11 A 9.00 5.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 T 8.84 5.12 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 1.35 0.00 0.00 13 D 9.08 5.44 0.00 2.48 2.37 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 14 V 8.34 4.87 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 0.81 0.00 0.00 1.03 0.00 0.00 15 I 8.95 4.05 1.48 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 0.93 0.37 -0.02 0.00 0.00 16 I 8.05 4.62 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 1.36 1.01 0.96 0.00 0.00 17 R 9.15 4.80 0.00 2.41 2.24 0.00 3.18 0.00 0.00 3.35 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.74 0.00 18 L 8.79 5.10 0.00 1.72 1.36 1.00 1.06 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 W 9.31 5.26 0.00 3.26 3.34 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 20 D 9.18 4.86 0.00 2.71 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 21 G 8.06 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 0.00 0.00 0.00 22 E 9.00 4.41 0.00 2.07 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 2.30 2.36 0.00 23 N 8.11 4.84 0.00 2.99 2.79 0.00 0.00 6.55 9.28 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 24 F 8.71 3.80 0.00 1.99 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 25 K 8.68 3.96 0.00 1.55 1.60 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.43 1.42 7.81 26 G 5.38 3.14 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 0.00 0.00 0.00 27 I 8.28 5.19 1.94 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 1.10 2.74 1.03 0.00 0.00 28 V 8.26 4.63 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 0.85 0.00 0.00 0.91 0.00 0.00 29 L 9.44 4.98 0.00 1.77 1.61 0.89 0.92 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 30 I 8.85 4.89 2.00 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 1.14 1.01 0.92 0.00 0.00 31 E 9.47 4.62 0.00 2.07 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 2.25 2.31 0.00 32 R 8.98 4.58 0.00 1.89 1.96 0.00 3.36 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.61 0.00 33 K 8.77 4.26 0.00 1.55 1.37 0.00 1.78 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.35 1.35 7.81 34 Y 7.48 5.03 0.00 3.03 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 35 P 0.00 4.37 0.00 2.18 2.09 0.00 3.89 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 2.02 1.98 0.00 36 P 0.00 4.25 0.00 1.81 1.82 0.00 3.66 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.79 0.00 37 V 8.22 3.81 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 0.83 0.00 0.00 1.03 0.00 0.00 38 G 7.42 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 39 L 7.88 4.90 0.00 1.60 1.58 0.71 1.28 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 40 A 8.89 5.11 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 41 L 8.76 4.55 0.00 1.41 1.53 0.61 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 42 P 0.00 4.57 0.00 2.11 2.17 0.00 3.94 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.97 0.00 43 G 7.59 4.21 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 0.00 44 G 7.09 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 45 F 8.48 4.72 0.00 3.01 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 46 V 8.67 4.13 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 0.80 0.00 0.00 1.01 0.00 0.00 47 E 9.51 4.58 0.00 1.96 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 0.00 2.33 2.44 0.00 48 V 8.26 3.77 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 0.78 0.00 0.00 0.93 0.00 0.00 49 G 9.07 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 0.00 0.00 0.00 50 E 7.58 4.88 0.00 2.10 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 2.28 2.33 0.00 51 R 9.22 4.21 0.00 1.82 1.90 0.00 3.12 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 52 V 8.39 3.72 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 1.58 0.00 0.00 1.05 0.00 0.00 53 E 8.12 3.53 0.00 1.91 1.65 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 1.86 1.47 0.00 54 E 7.96 3.94 0.00 2.14 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 2.36 2.33 0.00 55 A 8.16 4.07 1.42 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 0.00 0.00 56 A 7.95 3.89 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 57 A 7.53 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 58 R 8.04 4.04 0.00 1.97 2.12 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 59 E 8.21 4.28 0.00 2.15 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 2.50 2.48 0.00 *61 R 7.95 4.19 0.00 1.93 2.11 0.00 3.18 0.00 0.00 3.33 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 62 E 8.41 3.98 0.00 2.09 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 2.34 0.00 63 E 8.72 4.27 0.00 1.91 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 2.44 0.00 64 T 7.75 4.36 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 65 G 8.05 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 66 L 7.56 4.41 0.00 1.68 1.61 0.93 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.50 4.28 0.00 1.89 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 2.21 2.32 0.00 68 V 8.07 4.40 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 0.88 0.00 0.00 0.94 0.00 0.00 69 R 8.73 4.35 0.00 1.92 1.79 0.00 3.12 0.00 0.00 3.15 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 70 L 8.45 4.29 0.00 1.32 1.36 -0.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 71 H 9.27 4.84 0.00 3.24 3.55 0.00 5.96 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 72 K 7.81 4.72 0.00 1.91 1.70 0.00 1.74 0.00 0.00 1.85 0.00 0.00 3.18 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.57 1.55 7.81 73 L 8.73 4.18 0.00 1.62 1.53 -0.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 *75 G 8.37 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 76 V 7.74 4.79 1.91 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 0.77 0.00 0.00 0.76 0.00 0.00 77 Y 8.89 4.56 0.00 2.92 3.01 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 78 S 8.56 4.72 0.00 3.97 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 79 D 8.33 4.37 0.00 2.77 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 80 P 0.00 3.86 0.00 2.02 1.96 0.00 3.71 0.00 0.00 3.77 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 81 E 8.56 4.55 0.00 1.96 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 2.29 2.39 0.00 82 R 8.48 4.09 0.00 2.06 2.27 0.00 2.82 0.00 0.00 3.43 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.63 0.00 83 D 7.97 5.21 0.00 2.72 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 84 P 0.00 4.49 0.00 2.25 2.19 0.00 4.11 0.00 0.00 3.76 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 85 R 8.73 4.03 0.00 2.13 2.16 0.00 3.48 0.00 0.00 3.41 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 86 A 6.61 4.17 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 87 H 8.09 4.68 0.00 3.26 3.24 0.00 5.63 0.00 0.00 0.00 0.00 6.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 V 8.50 4.85 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 0.80 0.00 0.00 1.31 0.00 0.00 89 V 8.83 4.54 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 0.97 0.00 0.00 0.86 0.00 0.00 90 S 8.85 5.04 0.00 3.81 3.65 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 91 V 8.64 4.21 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 0.25 0.00 0.00 0.87 0.00 0.00 92 V 8.42 4.78 2.21 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 0.73 0.00 0.00 0.92 0.00 0.00 93 W 8.97 5.05 0.00 3.27 3.05 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 94 I 8.84 4.82 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.69 1.01 0.00 0.00 95 G 9.28 4.62 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 96 D 9.12 5.85 0.00 2.60 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 97 A 9.20 5.01 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 98 Q 9.05 5.02 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.39 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 99 G 8.94 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 0.00 100 E 8.19 4.60 0.00 1.91 1.83 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 2.18 2.24 0.00 101 P 0.00 4.57 0.00 2.20 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 1.95 1.91 0.00 102 K 8.74 4.15 0.00 1.93 1.99 0.00 1.34 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.47 7.81 103 A 8.40 3.69 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.65 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 0.00 105 S 7.92 4.50 0.00 3.98 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 0.00 106 D 8.54 4.33 0.00 2.62 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 0.00 107 A 7.78 3.67 0.52 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 0.00 108 K 7.96 4.72 0.00 1.65 1.67 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.33 7.81 109 K 8.63 4.50 0.00 1.70 1.70 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.42 1.33 7.81 110 V 8.32 4.32 2.20 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 0.71 0.00 0.00 0.93 0.00 0.00 111 K 9.36 4.53 0.00 1.65 1.31 0.00 1.55 0.00 0.00 1.50 0.00 0.00 2.68 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.30 1.51 7.81 112 V 8.17 4.61 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 0.69 0.00 0.00 0.85 0.00 0.00 113 Y 8.83 4.80 0.00 2.85 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 0.00 114 R 8.64 4.24 0.00 1.89 2.04 0.00 3.12 0.00 0.00 3.30 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 115 L 8.55 4.11 0.00 1.76 1.87 1.21 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.16 4.28 0.00 1.96 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 2.42 0.00 117 E 8.01 4.69 0.00 2.04 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 2.26 2.41 0.00 118 I 7.67 3.35 1.79 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 1.40 0.72 0.68 0.00 0.00 119 P 0.00 4.46 0.00 2.12 2.12 0.00 2.70 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 120 L 8.30 3.84 0.00 1.70 1.76 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 121 D 7.97 4.75 0.00 2.64 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 0.00 122 K 8.06 4.32 0.00 1.82 1.79 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.49 7.81 123 L 7.41 4.54 0.00 1.70 1.61 0.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.48 4.14 1.57 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 0.63 0.00 0.00 0.64 0.00 0.00 125 F 8.03 3.93 0.00 2.92 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 0.00 126 D 8.54 4.99 0.00 2.82 2.91 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 0.00 127 H 8.25 4.29 0.00 3.37 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 K 7.97 3.95 0.00 1.81 1.79 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.52 7.81 129 K 7.93 3.99 0.00 1.97 1.88 0.00 1.76 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.55 7.81 130 I 7.41 3.39 1.57 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.35 0.61 0.00 0.00 131 I 7.88 3.86 1.96 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 1.50 0.77 1.00 0.00 0.00 132 L 8.24 4.07 0.00 1.93 1.75 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 133 D 8.48 4.46 0.00 3.08 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 0.00 134 F 8.42 4.48 0.00 3.13 3.34 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 0.00 135 L 8.21 3.75 0.00 1.77 1.69 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.19 4.30 0.00 1.78 1.83 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.61 7.81 137 G 7.58 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 N 8.13 4.65 0.00 2.82 2.86 0.00 0.00 6.70 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 0.00 139 Y 6.95 4.40 0.00 3.01 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 * Residues marked with a * may have inaccurate shift predictions.