NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5007 8.1633 120.6164 55.0722 33.9415 174.4412 2 K 4.4686 8.5694 126.1855 56.3353 33.5963 171.1564 3 V 4.6780 9.4216 117.4831 60.1209 37.3736 173.5243 4 I 4.6544 8.6061 124.6562 59.8785 38.6739 175.8311 5 L 4.7108 8.4465 127.2097 53.4991 43.1589 178.7038 6 L 4.6699 7.8760 120.6489 54.7501 44.3085 179.2111 7 E 3.7527 8.9812 135.0000 55.6344 28.3073 174.3341 8 P 4.3355 0.0000 0.0000 63.2246 31.6307 175.2536 9 L 4.8702 7.8450 118.4261 52.9125 45.8234 175.2100 10 E 4.2894 8.5524 120.2066 56.7344 30.3115 175.1020 11 N 4.2626 8.6970 121.9717 52.1145 36.0436 171.9559 12 L 4.7279 7.1928 119.9092 54.5602 41.5502 171.7666 13 G 3.9969 8.0728 114.6330 46.6617 0.0000 168.8183 14 D 4.2420 8.7657 130.1226 53.6478 38.8961 173.7896 15 V 3.6054 8.1813 117.6208 61.2678 32.2767 177.7400 16 G 4.0450 8.3976 106.0949 46.7897 0.0000 174.0170 17 Q 4.1054 8.1918 121.3968 56.1286 30.5146 175.1113 18 V 4.9265 8.6213 124.5552 60.1072 32.1721 174.7160 19 V 4.5876 8.0470 126.2898 59.5559 34.7592 174.0780 20 D 5.5116 8.4930 119.5351 52.0559 42.3754 174.9011 21 V 4.6915 8.5496 112.1079 59.4899 36.6771 175.2833 22 K 4.1490 8.8532 121.2662 56.2536 32.6990 176.3809 23 P 4.2953 0.0000 0.0000 65.8053 31.4104 178.4078 24 G 4.0137 8.3236 103.9093 48.2919 0.0000 174.6586 25 Y 4.3781 8.4732 121.8409 60.4603 38.8809 177.9158 26 A 3.8458 8.0116 121.0222 55.4095 18.4952 179.7232 27 R 4.1773 8.4902 114.8981 58.3445 30.1800 177.8509 28 N 5.0573 8.0745 113.1438 53.4612 40.6168 173.2004 29 Y 4.6548 8.2781 119.3589 58.5297 41.8792 176.8883 30 L 3.8354 8.1925 118.4065 58.0713 42.4864 180.0233 31 L 3.9517 8.5253 118.4523 57.3895 41.7527 177.9469 32 P 4.2389 0.0000 0.0000 65.3975 31.3444 177.3536 33 R 4.0966 8.4763 115.3875 55.3506 29.9106 176.7049 34 G 3.9169 7.9736 105.7859 46.4920 0.0000 174.8016 35 L 4.3202 7.5859 117.1289 54.5453 42.5162 175.8814 36 A 4.7353 7.0413 119.6664 51.8841 22.9581 175.6151 37 V 4.5036 8.3156 117.7560 61.0680 35.6489 174.3483 38 L 4.4008 8.4648 124.1629 54.2332 42.2638 177.3110 39 A 4.5209 8.0545 126.0229 52.2387 18.2228 178.2046 40 T 3.9319 7.9775 110.4413 62.7886 69.7978 175.0378 41 E 4.0116 8.9902 124.3446 59.1104 31.0014 179.4137 42 S 4.2561 8.2948 113.2852 59.7348 61.3175 175.0222 43 N 4.5984 5.7700 113.2482 54.2079 37.3087 175.7513 44 L 4.2214 8.1501 125.0908 57.8310 42.4003 178.6091 45 K 4.0708 7.9344 117.9870 59.4286 32.8344 178.5002 46 A 4.0981 7.9520 120.2915 53.6072 18.2681 178.2813 47 L 4.1091 7.4685 118.2364 56.8197 42.4651 178.2070 48 E 3.9369 8.3382 118.9713 59.1588 29.2566 178.7803 49 A 3.9719 8.0280 120.2329 55.5878 18.2921 179.7200 50 R 3.9651 7.3361 113.4936 58.2988 29.6984 178.7597 51 I 4.0598 7.7729 120.5075 63.3729 37.6451 177.6169 52 R 4.3392 8.6216 115.7146 56.9919 29.5747 177.1748 53 A 4.3296 7.9304 122.4422 52.1133 18.5339 177.6098 54 Q 4.4200 7.7950 114.5334 56.3572 31.9945 175.5561 55 A 4.4358 7.5587 116.0061 55.0480 19.5406 179.5923 56 K 3.9521 7.9927 117.0593 59.9770 32.8469 179.5156 57 R 3.9695 7.9328 118.8169 58.5759 30.0249 178.1749 58 L 4.0394 7.2970 116.9909 57.0433 41.9356 177.1832 59 A 4.5537 7.8897 119.7779 52.5437 18.9435 177.5633 60 E 4.3973 8.2221 122.8810 59.3454 31.7279 177.5435 61 R 4.3585 7.4108 112.0087 56.6030 30.2809 176.6460 62 K 4.4524 7.9734 118.8197 56.6537 34.2750 176.6797 63 A 4.6324 7.5074 118.3389 52.1586 18.7486 177.1841 64 E 4.5628 7.9116 114.5862 56.5750 32.0199 177.0834 65 A 4.1395 7.9117 120.0068 53.7017 19.3563 177.8223 66 E 4.3564 7.8397 113.6228 57.5628 30.3276 177.5753 67 R 4.5997 7.7657 116.1725 55.8992 30.6215 176.3818 68 L 4.7528 7.7328 115.9760 54.5293 43.9390 176.7988 69 K 4.3395 7.8914 118.2128 58.6994 33.6910 177.1320 70 E 4.4320 8.0005 114.4419 57.0672 28.9689 176.7847 71 I 4.4475 7.8192 111.2796 62.2903 40.6116 176.5964 72 L 4.6772 7.1650 121.7528 53.3079 40.0247 175.6792 73 E 4.7325 7.7082 117.9023 57.3244 34.9027 176.1633 74 N 4.5279 7.6470 115.7434 54.8265 38.1402 175.6377 75 L 4.2177 7.4015 119.6071 54.9753 42.4567 177.4129 76 T 4.8427 8.2396 109.2834 59.9708 70.3346 174.6872 77 L 3.4856 7.5132 118.0085 56.4431 40.2143 173.5376 78 T 5.0482 8.1512 118.1820 61.8123 71.9378 173.5583 79 I 4.6675 8.0319 122.9948 59.2541 40.7868 174.3329 80 P 4.4255 0.0000 0.0000 63.7383 31.4266 175.8480 81 V 3.2164 6.8898 117.5892 59.3192 31.6806 175.4100 82 R 4.1879 9.0037 129.1375 57.3866 30.3247 174.3846 83 A 4.4624 7.3826 128.8671 54.2390 22.9562 175.7433 84 G 4.8145 9.0699 112.1293 48.5106 0.0000 172.5579 85 E 4.1751 8.4849 128.8655 54.5775 25.8628 180.4031 86 T 4.1030 8.4752 120.5419 61.7672 68.6077 172.7853 87 K 3.8537 8.4994 118.6770 56.9731 32.4697 176.4380 88 I 3.6199 8.0696 122.9535 61.3745 37.7107 175.7390 89 Y 4.2660 7.8610 119.7090 60.1749 37.8242 176.6361 90 G 4.4154 7.7040 106.1417 43.0237 0.0000 174.7860 91 S 4.6789 8.3736 117.0485 57.4699 62.5469 176.1451 92 V 5.0305 8.5363 109.7993 60.6627 32.2811 173.0383 93 T 3.9825 7.7767 111.0632 62.5271 67.9283 172.3293 94 A 3.8396 8.0980 120.2086 57.0292 18.5778 179.6971 95 K 4.2581 7.9285 110.8205 56.6734 32.2872 178.0838 96 D 4.6092 8.9853 122.6738 56.4388 41.4392 178.9627 97 I 3.7907 7.1433 119.4053 63.1508 37.1206 176.8044 98 A 4.0475 7.2967 122.2782 55.0212 17.7382 178.3144 99 E 3.8949 8.1153 119.1356 57.1671 30.8104 177.9336 100 A 4.7500 7.3793 121.5937 50.1225 18.9066 176.7157 101 L 4.9548 7.2241 135.0000 57.0550 43.3553 175.8097 102 S 4.9412 8.7232 114.0179 60.3244 62.9900 175.2775 103 R 4.4638 7.7806 117.1104 57.3874 31.9269 177.0217 104 Q 4.2171 8.2007 117.2337 58.5661 30.2516 176.1219 105 H 4.8824 8.7605 110.4623 55.2223 30.5894 174.0635 106 G 4.9189 8.1025 118.5986 47.0206 0.0000 173.4434 107 V 4.3560 6.9587 118.1252 60.7086 34.5976 174.1449 108 T 4.3766 8.5566 123.9753 63.3237 68.5192 174.2671 109 I 4.1457 7.8673 128.4357 60.7387 38.4998 176.3200 110 D 4.8801 7.6643 123.8259 51.5097 40.2883 174.3728 111 P 4.4200 0.0000 0.0000 61.5830 30.7803 176.3300 112 K 4.5997 6.9485 118.1180 57.6803 40.3500 177.2607 113 R 4.3994 8.2503 116.3517 55.4634 28.7751 177.5175 114 L 4.3780 7.7274 115.2823 55.0151 43.3265 176.9428 115 A 3.7664 8.6480 119.9592 52.6384 15.1893 177.6606 116 L 4.7753 7.6830 120.1864 54.5997 46.1026 175.3763 117 E 4.5593 8.3272 125.1145 55.1647 28.9645 176.5877 118 K 3.6828 8.8166 119.0316 55.8641 32.3641 174.3739 119 P 4.3839 0.0000 0.0000 63.8286 33.3490 175.0157 120 I 2.7442 7.8948 114.2100 60.4876 37.6834 176.1754 121 K 4.2213 9.9471 128.3480 56.7369 30.5983 174.0241 122 E 5.2478 7.8022 116.6056 55.2620 32.1085 175.8894 123 L 3.9279 8.6036 126.3619 54.8337 42.5202 175.3532 124 G 3.7714 6.6603 104.6332 43.4403 0.0000 171.9183 125 E 4.2971 7.8952 119.6195 55.1446 30.4683 175.9459 126 Y 4.9897 8.3777 121.5026 56.3862 41.6080 174.5422 127 V 4.3094 8.6571 125.0944 61.8776 32.4250 175.0503 128 L 4.8562 8.3235 132.1445 54.9253 44.2241 174.0965 129 T 4.3991 7.4239 110.2255 64.5931 70.3389 171.1268 130 Y 4.5880 8.8667 121.3251 58.5394 42.3307 173.3519 131 K 3.4869 7.3859 125.0592 54.8418 32.0296 175.0480 132 P 4.4531 0.0000 0.0000 65.5510 32.4764 176.7577 133 H 4.8242 7.2171 114.2504 54.0892 27.4532 174.5796 134 P 4.0890 0.0000 0.0000 62.5013 30.8664 174.8359 135 E 4.7109 8.8264 122.9306 54.4696 31.1327 176.9084 136 V 4.5057 8.6281 123.4050 58.8342 32.3592 173.5077 137 P 4.8636 0.0000 0.0000 61.8872 31.4657 175.2316 138 I 4.2787 8.1105 119.6611 60.1283 39.8973 174.7120 139 Q 4.8146 8.2424 125.0114 55.3021 30.9183 173.9993 140 L 5.7172 9.7143 126.7565 52.1927 45.7312 175.1218 141 K 4.4896 9.5132 126.9259 55.5140 32.5346 175.9686 142 V 4.0076 7.9066 124.5195 61.6605 32.4625 174.1039 143 S 4.8187 8.3005 127.9762 57.8333 64.7168 171.7212 144 V 4.2169 7.7406 111.2116 61.9843 34.1661 174.7127 145 V 3.3344 8.3244 120.5521 63.3065 31.3636 172.4840 *146 A 4.1219 8.2819 122.9873 52.3840 18.7144 176.5311 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 1 M 8.16 4.50 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 2 K 8.57 4.47 0.00 1.80 1.71 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.53 1.48 7.81 3 V 9.42 4.68 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 0.83 0.00 0.00 0.95 0.00 0.00 4 I 8.61 4.65 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.75 0.90 0.00 0.00 5 L 8.45 4.71 0.00 1.67 1.56 0.96 0.16 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 6 L 7.88 4.67 0.00 1.48 0.77 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.98 3.75 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 2.29 2.42 0.00 8 P 0.00 4.34 0.00 2.21 2.19 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 9 L 7.84 4.87 0.00 2.04 1.62 0.97 0.90 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 10 E 8.55 4.29 0.00 1.94 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 2.27 2.25 0.00 11 N 8.70 4.26 0.00 2.90 2.95 0.00 0.00 7.06 7.78 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 12 L 7.19 4.73 0.00 1.98 1.98 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 13 G 8.07 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 14 D 8.77 4.24 0.00 2.85 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 15 V 8.18 3.61 2.07 0.00 0.00 0.00 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 0.92 0.00 0.00 16 G 8.40 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 17 Q 8.19 4.11 0.00 2.09 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 18 V 8.62 4.93 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 1.12 0.00 0.00 0.92 0.00 0.00 19 V 8.05 4.59 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 0.74 0.00 0.00 0.94 0.00 0.00 20 D 8.49 5.51 0.00 2.83 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 21 V 8.55 4.69 2.31 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 0.74 0.00 0.00 0.88 0.00 0.00 22 K 8.85 4.15 0.00 1.89 1.78 0.00 1.71 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.50 7.81 23 P 0.00 4.30 0.00 2.18 2.13 0.00 3.67 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 2.14 2.22 0.00 24 G 8.32 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 25 Y 8.47 4.38 0.00 2.92 3.07 0.00 0.00 0.00 0.00 0.00 0.00 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 8.01 3.85 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 R 8.49 4.18 0.00 1.86 2.04 0.00 3.12 0.00 0.00 3.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 28 N 8.07 5.06 0.00 2.98 2.92 0.00 0.00 6.66 7.65 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 29 Y 8.28 4.65 0.00 3.16 3.17 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 30 L 8.19 3.84 0.00 1.61 1.59 0.46 0.53 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 31 L 8.53 3.95 0.00 1.85 1.68 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.24 0.00 2.02 2.11 0.00 3.78 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 2.13 2.13 0.00 33 R 8.48 4.10 0.00 1.42 1.64 0.00 2.21 0.00 0.00 2.89 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.26 0.00 34 G 7.97 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 0.00 0.00 0.00 35 L 7.59 4.32 0.00 1.56 1.63 0.73 0.64 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 36 A 7.04 4.74 1.15 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 37 V 8.32 4.50 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 1.02 0.00 0.00 0.91 0.00 0.00 38 L 8.46 4.40 0.00 1.54 1.58 0.91 0.79 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 39 A 8.05 4.52 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 40 T 7.98 3.93 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 1.20 0.00 0.00 41 E 8.99 4.01 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.33 0.00 42 S 8.29 4.26 0.00 3.85 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 N 5.77 4.60 0.00 3.03 2.90 0.00 0.00 7.00 7.67 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 44 L 8.15 4.22 0.00 1.88 1.77 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 45 K 7.93 4.07 0.00 2.03 2.04 0.00 1.37 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.87 1.43 7.81 46 A 7.95 4.10 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 47 L 7.47 4.11 0.00 1.73 1.90 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.34 3.94 0.00 2.12 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 2.43 2.47 0.00 49 A 8.03 3.97 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 50 R 7.34 3.97 0.00 2.07 2.00 0.00 3.15 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 51 I 7.77 4.06 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.15 0.90 0.00 0.00 52 R 8.62 4.34 0.00 1.97 2.16 0.00 2.75 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.62 0.00 53 A 7.93 4.33 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 54 Q 7.79 4.42 0.00 1.95 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 55 A 7.56 4.44 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 K 7.99 3.95 0.00 2.01 2.07 0.00 1.31 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.73 1.47 7.81 57 R 7.93 3.97 0.00 1.83 2.01 0.00 3.27 0.00 0.00 3.26 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 58 L 7.30 4.04 0.00 2.05 1.69 0.88 0.85 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 59 A 7.89 4.55 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 60 E 8.22 4.40 0.00 2.16 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 0.00 2.18 2.27 0.00 61 R 7.41 4.36 0.00 1.92 1.96 0.00 3.34 0.00 0.00 3.12 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 62 K 7.97 4.45 0.00 1.82 1.74 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.33 7.81 63 A 7.51 4.63 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 64 E 7.91 4.56 0.00 1.95 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 2.38 2.16 0.00 65 A 7.91 4.14 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 66 E 7.84 4.36 0.00 2.14 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 2.27 2.48 0.00 67 R 7.77 4.60 0.00 1.80 1.94 0.00 3.24 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 68 L 7.73 4.75 0.00 1.67 1.69 1.11 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.89 4.34 0.00 2.01 1.91 0.00 1.83 0.00 0.00 1.89 0.00 0.00 3.09 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.44 7.81 70 E 8.00 4.43 0.00 2.05 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 2.74 2.40 0.00 71 I 7.82 4.45 1.89 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 1.21 0.98 0.93 0.00 0.00 72 L 7.16 4.68 0.00 1.75 1.98 0.90 0.91 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 73 E 7.71 4.73 0.00 2.02 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 2.29 2.48 0.00 74 N 7.65 4.53 0.00 3.06 2.95 0.00 0.00 7.04 7.67 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 75 L 7.40 4.22 0.00 1.84 1.63 0.97 0.49 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 76 T 8.24 4.84 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 77 L 7.51 3.49 0.00 1.77 1.67 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.15 5.05 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 1.20 0.00 0.00 79 I 8.03 4.67 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.02 0.96 0.00 0.00 80 P 0.00 4.43 0.00 2.18 2.14 0.00 3.80 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 81 V 6.89 3.22 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 0.76 0.00 0.00 0.95 0.00 0.00 82 R 9.00 4.19 0.00 2.00 1.97 0.00 3.28 0.00 0.00 3.32 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 83 A 7.38 4.46 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.07 4.81 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 85 E 8.48 4.18 0.00 2.02 1.45 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 2.15 2.17 0.00 86 T 8.48 4.10 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 1.19 0.00 0.00 87 K 8.50 3.85 0.00 2.11 1.87 0.00 1.17 0.00 0.00 2.32 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.37 7.81 88 I 8.07 3.62 1.96 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 1.45 0.79 1.03 0.00 0.00 89 Y 7.86 4.27 0.00 3.11 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 90 G 7.70 4.42 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 0.00 91 S 8.37 4.68 0.00 3.99 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 92 V 8.54 5.03 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 0.67 0.00 0.00 0.95 0.00 0.00 93 T 7.78 3.98 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 94 A 8.10 3.84 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 95 K 7.93 4.26 0.00 1.76 1.85 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.47 7.81 96 D 8.99 4.61 0.00 2.93 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.14 3.79 1.81 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 1.21 0.74 0.83 0.00 0.00 98 A 7.30 4.05 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 99 E 8.12 3.89 0.00 1.95 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 2.32 2.44 0.00 100 A 7.38 4.75 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 0.00 101 L 7.22 4.95 0.00 1.76 1.82 0.68 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.72 4.94 0.00 3.89 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 0.00 103 R 7.78 4.46 0.00 1.77 1.94 0.00 3.38 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 104 Q 8.20 4.22 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 105 H 8.76 4.88 0.00 3.27 2.99 0.00 5.83 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.10 4.92 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 0.00 0.00 0.00 107 V 6.96 4.36 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 1.15 0.00 0.00 0.97 0.00 0.00 108 T 8.56 4.38 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 1.24 0.00 0.00 109 I 7.87 4.15 1.86 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 1.35 0.27 0.91 0.00 0.00 110 D 7.66 4.88 0.00 2.90 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 0.00 111 P 0.00 4.42 0.00 2.22 2.13 0.00 3.98 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 112 K 6.95 4.60 0.00 1.96 1.71 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.37 1.43 7.81 113 R 8.25 4.40 0.00 2.04 2.12 0.00 2.94 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 114 L 7.73 4.38 0.00 1.62 1.61 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.65 3.77 1.47 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 0.00 0.00 116 L 7.68 4.78 0.00 1.49 1.46 0.81 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.33 4.56 0.00 2.08 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 118 K 8.82 3.68 0.00 1.70 1.78 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.40 7.81 119 P 0.00 4.38 0.00 2.29 2.04 0.00 3.83 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 120 I 7.89 2.74 1.91 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.38 1.17 0.00 0.00 121 K 9.95 4.22 0.00 2.05 2.16 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.34 1.41 7.81 122 E 7.80 5.25 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 2.06 2.06 0.00 123 L 8.60 3.93 0.00 1.60 1.61 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 124 G 6.66 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 0.00 125 E 7.90 4.30 0.00 1.78 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 2.16 2.22 0.00 126 Y 8.38 4.99 0.00 3.00 2.65 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 0.00 127 V 8.66 4.31 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 0.81 0.00 0.00 0.96 0.00 0.00 128 L 8.32 4.86 0.00 1.66 1.54 0.88 0.66 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 0.00 129 T 7.42 4.40 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 1.23 0.00 0.00 130 Y 8.87 4.59 0.00 2.90 2.92 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 0.00 131 K 7.39 3.49 0.00 1.82 1.60 0.00 0.78 0.00 0.00 1.16 0.00 0.00 2.74 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.07 1.11 7.81 132 P 0.00 4.45 0.00 2.08 2.09 0.00 3.44 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 133 H 7.22 4.82 0.00 3.21 2.91 0.00 5.77 0.00 0.00 0.00 0.00 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.09 0.00 2.06 2.12 0.00 3.90 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 135 E 8.83 4.71 0.00 1.85 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 2.47 2.26 0.00 136 V 8.63 4.51 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 0.94 0.00 0.00 1.10 0.00 0.00 137 P 0.00 4.86 0.00 2.13 2.16 0.00 4.13 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 1.98 1.98 0.00 138 I 8.11 4.28 1.84 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.56 1.06 0.00 0.00 139 Q 8.24 4.81 0.00 2.27 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 140 L 9.71 5.72 0.00 1.77 1.51 0.95 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 141 K 9.51 4.49 0.00 1.77 1.66 0.00 1.66 0.00 0.00 1.54 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.71 1.62 7.81 142 V 7.91 4.01 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 0.94 0.00 0.00 0.97 0.00 0.00 143 S 8.30 4.82 0.00 3.92 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 0.00 144 V 7.74 4.22 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 0.75 0.00 0.00 0.93 0.00 0.00 145 V 8.32 3.33 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 0.73 0.00 0.00 0.94 0.00 0.00 *146 A 8.28 4.12 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 * Residues marked with a * may have inaccurate shift predictions.