NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 3.9441 8.3393 109.7358 44.7501 0.0000 174.1699 6 P 4.2001 0.0000 0.0000 61.6090 32.5644 176.9137 7 S 4.3079 8.8249 117.4760 61.1212 64.0432 175.8148 8 S 4.7120 7.3735 110.0150 56.6264 65.3556 172.7792 9 Q 4.5670 8.2744 122.2201 55.0311 30.9690 172.9317 10 N 4.7661 8.5878 118.6572 52.0399 40.1755 174.2965 11 V 4.4634 8.2359 124.5610 61.1758 34.3134 174.4352 12 T 4.5376 8.4178 122.1921 61.6723 71.2008 173.2397 13 E 4.7819 8.2978 124.5704 54.6199 33.0351 174.8504 14 Y 4.8659 8.3454 118.5543 55.9569 41.8921 175.5520 15 V 3.9309 8.5052 123.9212 63.0055 33.1319 174.5291 16 V 4.9769 8.4161 126.1372 61.2404 33.8148 174.6670 17 R 4.6101 8.9513 126.5905 54.4757 33.4849 175.3173 18 V 4.3867 8.0007 121.4633 59.9457 32.4480 173.0159 19 P 4.3886 0.0000 0.0000 62.3261 31.9486 176.8154 20 K 4.2952 8.5108 120.2659 56.9797 33.3037 176.3834 21 N 4.6019 8.0610 116.3689 52.2325 37.3207 175.0109 22 T 4.3279 8.1910 118.2402 61.7613 68.8437 172.6637 23 T 4.3987 8.5897 118.8391 61.5007 69.3147 174.4843 24 K 4.5362 7.5445 121.0111 54.6456 34.8427 175.4540 25 K 4.6340 8.2809 121.2359 54.8808 34.3227 175.0929 26 Y 4.5012 8.6307 120.4684 56.5231 39.8640 174.4993 27 N 5.6110 8.7474 120.2873 51.5545 42.9868 173.4447 28 I 4.1897 8.4988 121.1957 59.7499 39.6345 174.5987 29 M 4.9298 8.4873 126.1960 53.9037 33.8626 174.1761 30 A 4.7908 9.1040 129.1847 50.1579 21.6393 175.1722 31 F 5.3788 8.7349 120.0935 55.4756 42.2943 174.9586 32 N 4.6213 8.9768 120.3218 52.9286 39.9268 175.7614 33 A 4.0318 8.9117 127.5332 55.3461 18.6680 179.6248 34 A 4.0916 8.7827 118.3390 55.2571 18.4651 178.0787 35 D 4.5476 8.2818 113.4836 55.0173 41.5366 177.1562 36 K 3.7862 7.6156 115.8164 57.5278 29.4722 173.6378 37 V 3.6652 7.1956 119.6723 61.7902 32.6102 174.5410 38 N 4.4745 8.2084 124.8940 51.3831 40.5747 174.7393 39 F 3.2027 7.7182 125.0538 59.7151 39.2652 177.6302 40 A 4.0083 8.0456 123.4791 55.0467 18.1653 178.4669 41 T 4.2044 7.7492 104.1229 62.5576 69.3911 174.8717 42 W 4.5257 8.3686 123.8306 56.6676 29.0650 175.5205 43 N 4.7795 9.7627 122.4172 54.7582 39.2753 175.2563 44 Q 4.8017 7.7929 113.3269 55.5312 31.9264 173.2841 45 A 4.9147 8.2437 119.6908 51.1092 22.2645 175.8031 46 R 4.6912 8.7865 119.3278 54.2801 33.9243 175.1265 47 L 5.1943 8.4269 123.3003 53.7471 44.5504 175.0940 48 E 5.1878 9.2673 125.1906 54.4517 34.3861 175.3850 49 R 4.0023 8.5761 121.5686 56.1839 30.9063 175.7858 50 D 4.5079 8.6809 124.7145 53.3604 41.8655 175.6593 51 L 5.2610 8.2001 125.3753 54.0462 42.1857 178.9735 52 S 4.1809 8.3315 118.3448 61.7707 62.9738 175.7590 53 N 4.5241 8.1315 116.4543 54.8015 38.8344 176.7013 54 K 3.8500 7.8169 119.2833 58.8989 32.1070 177.5886 55 K 4.4166 7.7514 116.1587 56.0632 32.7153 175.6893 56 I 4.3978 7.3733 120.3232 59.6976 38.5308 175.4370 57 Y 4.3710 8.5531 123.4693 57.4375 39.1035 174.8321 58 Q 4.7982 8.3079 120.6774 53.9563 32.8648 174.2251 59 E 4.8508 8.8957 123.9657 55.8354 30.6129 175.0227 60 E 4.7884 8.9528 128.2234 54.1826 32.3945 174.9160 61 E 3.7298 8.5833 127.1292 57.1426 30.7697 176.5709 62 M 3.9129 8.4458 126.9803 56.3037 30.0765 179.2613 *73 R 4.0979 8.9130 121.2196 56.7990 31.5910 173.2041 74 K 4.7457 8.1304 121.5109 54.0199 36.1793 175.9915 75 L 4.1743 8.4079 120.5726 54.6013 42.4328 178.6885 76 R 3.8063 8.8840 122.3547 59.7411 30.1134 177.7946 77 E 4.3757 8.1130 113.6176 56.5943 29.4035 176.3455 78 E 4.5031 8.7621 119.1841 55.7815 31.2169 175.7889 79 A 4.8335 7.2870 120.9422 52.0005 19.4444 177.9296 80 R 3.9361 8.1185 121.9967 59.9811 30.5841 177.8686 81 R 4.0796 7.8182 118.5652 55.7150 29.5778 175.9959 82 K 4.4129 8.5254 125.1009 55.8173 33.6007 176.1550 83 K 4.8575 8.2239 118.8242 55.1953 34.4210 175.3519 84 Y 5.0891 8.8698 120.6392 56.4661 41.8824 175.0888 85 G 4.4715 9.2274 108.3773 44.8517 0.0000 170.9842 86 I 5.4004 8.3766 111.6157 59.1699 40.2595 174.9476 87 V 4.5148 8.8700 123.7113 61.2350 35.1177 174.4468 88 L 4.1977 8.4632 128.2306 52.4138 41.4091 175.9658 89 K 3.9214 8.3137 124.5604 55.6895 32.7860 176.4720 90 E 4.0024 8.4715 118.6603 56.0775 29.7651 176.7903 91 F 4.1911 8.7836 126.8772 57.5859 38.5470 174.4657 92 R 4.1285 7.6320 129.7075 53.1978 29.4020 174.6097 93 P 3.6895 0.0000 0.0000 64.7768 31.4422 178.9865 94 E 3.9374 7.8911 118.0637 59.1592 29.5171 177.1515 95 D 4.7349 7.6935 115.8436 54.0401 41.0598 176.5103 96 Q 4.0785 7.2120 118.9007 54.6719 29.5088 174.0784 97 P 4.7435 0.0000 0.0000 62.7330 33.2253 174.7560 98 W 5.1534 8.8132 119.7230 55.1478 31.9238 175.4017 99 L 5.1554 9.2800 124.8096 53.4093 44.4578 174.6843 100 L 5.1206 9.5784 129.4947 53.5736 44.3035 175.0569 101 R 4.9498 8.8518 125.6958 54.5505 32.8849 174.8627 102 V 4.1013 8.6796 125.1328 61.6090 33.3320 175.2849 103 N 4.1893 9.1399 124.0644 54.4719 36.4781 174.5577 104 G 3.9401 7.4911 107.5045 44.8681 0.0000 172.8849 105 K 3.9995 8.6668 117.0117 58.8326 32.1005 177.9778 106 S 4.4772 7.9738 110.9257 58.0650 63.5755 174.0111 107 G 4.5451 7.2514 108.8692 44.5606 0.0000 173.8802 108 R 4.2321 8.2796 117.7589 56.1203 31.5781 176.3411 109 K 5.0841 7.9897 119.4910 54.8445 36.5026 175.3403 110 F 5.4310 9.9350 122.5808 55.6026 43.4528 173.6713 111 K 4.9636 9.2254 123.0222 54.6972 34.6442 174.9030 112 G 3.0969 9.1413 115.2156 44.2300 0.0000 172.1796 113 I 4.8772 8.1008 126.8739 58.8723 39.9382 175.2843 114 K 4.0478 8.7633 128.7456 56.2987 32.7210 175.9897 115 K 4.0445 8.9465 130.1192 55.7853 32.6999 176.7002 116 G 4.0648 8.4731 114.7903 45.2756 0.0000 174.6252 117 G 3.7985 7.7045 110.2615 44.4309 0.0000 173.0441 118 V 3.4051 7.9994 122.4785 65.2415 32.5419 176.3500 119 T 3.4225 7.9122 120.9022 63.3779 70.6206 173.5155 120 E 4.8212 8.3802 127.6087 57.0555 32.4782 176.3060 121 N 5.0373 9.3182 121.0549 53.4315 39.5391 173.4608 122 T 4.6962 7.4879 106.8823 60.9385 71.9865 172.4757 123 S 4.5996 7.9965 114.5470 57.3647 65.6915 173.2194 124 Y 4.7690 8.4777 118.9709 57.7446 39.4490 174.1772 125 Y 5.1225 8.8894 119.2053 56.3795 42.1563 174.6750 126 I 4.5931 9.1838 123.7266 60.0313 39.4188 174.5855 127 F 5.2495 9.1943 126.1403 56.1290 40.3994 175.1735 128 T 4.8541 9.0252 114.5283 59.7684 71.6986 173.1214 129 Q 3.9938 8.4969 125.3648 55.7295 30.1026 174.9110 130 C 4.6655 8.6760 123.5894 57.3237 30.3547 173.0269 131 P 4.2134 0.0000 0.0000 65.9060 30.8400 177.5436 132 D 4.4760 7.9480 114.5208 53.9408 39.6933 176.8631 133 G 3.9425 8.3488 109.3318 45.1748 0.0000 173.8982 134 A 4.5719 8.1726 121.4826 51.8933 20.0664 176.3401 135 F 4.9619 9.2957 118.2048 56.0797 41.6251 175.0713 136 E 4.9566 9.1205 121.2748 54.4047 32.5047 174.6652 137 A 4.6610 7.8058 125.7562 49.9509 21.1053 175.9573 138 F 4.8829 8.8034 120.7027 54.5884 42.8377 173.1264 139 P 3.7693 0.0000 0.0000 62.3102 32.1832 175.9510 140 V 3.9203 8.2748 123.0466 63.5430 31.5940 175.2406 141 H 4.5990 9.8464 129.7374 58.7821 29.8738 174.6709 142 N 5.1490 8.1508 113.9160 51.1768 43.7768 172.5451 143 W 4.9353 8.5329 130.3428 55.9883 33.5591 173.4653 144 Y 5.2868 9.3316 125.4652 56.3702 40.7653 174.4825 145 N 5.3635 9.2109 121.5859 52.0775 40.5042 173.8618 146 F 5.4596 9.3361 123.8646 55.9743 40.8899 175.4707 147 T 5.1894 8.8306 112.3735 59.0879 72.8192 171.4019 148 P 4.2938 0.0000 0.0000 63.1545 31.9225 177.1330 149 L 3.8988 8.9510 125.8147 58.1518 42.1712 178.9964 150 A 4.0428 7.9287 119.9127 54.5682 18.3551 178.0271 151 R 4.2485 8.0559 113.4602 57.0696 30.6078 176.0299 152 H 4.9242 8.0911 116.2332 53.8361 30.6269 175.0204 153 R 4.2330 8.3924 118.6549 56.3731 29.4562 175.1355 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 G 8.34 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.20 0.00 2.50 2.19 0.00 3.70 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 2.07 2.05 0.00 7 S 8.82 4.31 0.00 3.88 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 8 S 7.37 4.71 0.00 3.76 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 9 Q 8.27 4.57 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.51 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 10 N 8.59 4.77 0.00 2.70 2.76 0.00 0.00 6.74 7.71 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 11 V 8.24 4.46 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 0.89 0.00 0.00 0.92 0.00 0.00 12 T 8.42 4.54 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 0.91 0.00 0.00 13 E 8.30 4.78 0.00 1.82 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.25 0.00 14 Y 8.35 4.87 0.00 3.11 3.09 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 0.00 0.00 0.00 0.00 15 V 8.51 3.93 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 1.03 0.00 0.00 0.97 0.00 0.00 16 V 8.42 4.98 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 0.76 0.00 0.00 1.11 0.00 0.00 17 R 8.95 4.61 0.00 1.66 1.69 0.00 3.09 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.52 0.00 18 V 8.00 4.39 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 0.72 0.00 0.00 0.70 0.00 0.00 19 P 0.00 4.39 0.00 2.16 2.01 0.00 3.11 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.00 0.00 20 K 8.51 4.30 0.00 1.76 1.88 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.40 7.81 21 N 8.06 4.60 0.00 2.88 2.89 0.00 0.00 5.76 7.71 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 22 T 8.19 4.33 4.53 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 0.00 0.00 1.35 0.00 0.00 23 T 8.59 4.40 4.23 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 1.22 0.00 0.00 24 K 7.54 4.54 0.00 1.50 1.26 0.00 1.43 0.00 0.00 1.34 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.19 1.25 7.81 25 K 8.28 4.63 0.00 1.68 1.68 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.23 7.81 26 Y 8.63 4.50 0.00 2.95 2.89 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 27 N 8.75 5.61 0.00 2.57 3.01 0.00 0.00 6.99 7.45 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 28 I 8.50 4.19 1.06 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.05 -0.23 0.00 0.00 29 M 8.49 4.93 0.00 1.76 1.63 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.75 0.00 30 A 9.10 4.79 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 31 F 8.73 5.38 0.00 2.86 2.95 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 32 N 8.98 4.62 0.00 2.86 2.99 0.00 0.00 6.97 8.30 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 33 A 8.91 4.03 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 A 8.78 4.09 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 35 D 8.28 4.55 0.00 3.04 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 36 K 7.62 3.79 0.00 1.84 1.88 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.58 7.81 37 V 7.20 3.67 1.29 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 -0.32 0.00 0.00 0.62 0.00 0.00 38 N 8.21 4.47 0.00 2.58 2.55 0.00 0.00 7.22 7.71 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 39 F 7.72 3.20 0.00 2.88 2.52 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 40 A 8.05 4.01 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.75 4.20 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 42 W 8.37 4.53 0.00 3.42 3.27 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 0.00 43 N 9.76 4.78 0.00 2.83 2.89 0.00 0.00 6.87 7.96 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 44 Q 7.79 4.80 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 45 A 8.24 4.91 1.11 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 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.79 4.69 0.00 1.75 1.96 0.00 3.07 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 47 L 8.43 5.19 0.00 1.45 1.37 0.84 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 48 E 9.27 5.19 0.00 2.04 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 2.31 2.37 0.00 49 R 8.58 4.00 0.00 1.55 1.62 0.00 2.80 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.16 0.00 50 D 8.68 4.51 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.20 5.26 0.00 1.72 1.62 0.90 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 52 S 8.33 4.18 0.00 3.91 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.13 4.52 0.00 2.80 2.87 0.00 0.00 6.77 7.03 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 54 K 7.82 3.85 0.00 1.54 1.75 0.00 1.50 0.00 0.00 1.19 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.83 1.21 7.81 55 K 7.75 4.42 0.00 1.72 1.75 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.26 1.32 7.81 56 I 7.37 4.40 1.97 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 1.31 0.71 0.93 0.00 0.00 57 Y 8.55 4.37 0.00 2.97 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 58 Q 8.31 4.80 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.98 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 59 E 8.90 4.85 0.00 2.04 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 2.47 2.70 0.00 60 E 8.95 4.79 0.00 2.12 1.76 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 2.18 2.23 0.00 61 E 8.58 3.73 0.00 1.16 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 2.05 2.09 0.00 62 M 8.45 3.91 0.00 2.02 1.51 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.43 0.00 *73 R 8.91 4.10 0.00 1.77 1.87 0.00 3.22 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.72 0.00 74 K 8.13 4.75 0.00 1.73 1.78 0.00 1.81 0.00 0.00 1.99 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.42 7.81 75 L 8.41 4.17 0.00 1.87 1.59 0.92 0.85 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 76 R 8.88 3.81 0.00 1.87 2.01 0.00 3.11 0.00 0.00 3.34 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 77 E 8.11 4.38 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 2.30 2.29 0.00 78 E 8.76 4.50 0.00 1.85 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 0.00 2.21 2.21 0.00 79 A 7.29 4.83 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 80 R 8.12 3.94 0.00 1.83 2.03 0.00 3.38 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.58 0.00 81 R 7.82 4.08 0.00 1.79 1.90 0.00 3.26 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 82 K 8.53 4.41 0.00 1.96 1.81 0.00 1.80 0.00 0.00 2.08 0.00 0.00 3.03 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.67 7.81 83 K 8.22 4.86 0.00 1.72 1.72 0.00 1.49 0.00 0.00 1.82 0.00 0.00 3.12 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.54 7.81 84 Y 8.87 5.09 0.00 2.74 2.87 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 0.00 0.00 0.00 85 G 9.23 4.47 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 0.00 86 I 8.38 5.40 2.04 0.00 0.00 0.50 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 0.80 0.94 0.00 0.00 87 V 8.87 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 0.96 0.00 0.00 1.09 0.00 0.00 88 L 8.46 4.20 0.00 1.43 1.51 0.40 0.52 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 89 K 8.31 3.92 0.00 1.78 1.77 0.00 1.82 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.47 7.81 90 E 8.47 4.00 0.00 2.08 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 2.23 0.00 91 F 8.78 4.19 0.00 2.94 3.06 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 92 R 7.63 4.13 0.00 1.73 1.61 0.00 3.19 0.00 0.00 3.31 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 93 P 0.00 3.69 0.00 2.14 2.33 0.00 3.51 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 1.95 2.01 0.00 94 E 7.89 3.94 0.00 1.90 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 2.24 2.26 0.00 95 D 7.69 4.73 0.00 2.55 2.59 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 96 Q 7.21 4.08 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.06 6.84 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 97 P 0.00 4.74 0.00 2.07 2.17 0.00 3.61 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 2.03 1.97 0.00 98 W 8.81 5.15 0.00 3.13 3.18 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 99 L 9.28 5.16 0.00 1.80 1.61 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 100 L 9.58 5.12 0.00 1.89 1.85 0.88 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.85 4.95 0.00 1.77 1.78 0.00 3.16 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 102 V 8.68 4.10 1.71 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 0.07 0.00 0.00 -0.19 0.00 0.00 103 N 9.14 4.19 0.00 2.79 2.78 0.00 0.00 6.97 7.80 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 0.00 104 G 7.49 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.67 4.00 0.00 1.74 1.88 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.36 7.81 106 S 7.97 4.48 0.00 3.95 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 G 7.25 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 0.00 0.00 0.00 0.00 108 R 8.28 4.23 0.00 1.74 1.44 0.00 3.13 0.00 0.00 3.50 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 109 K 7.99 5.08 0.00 1.55 1.62 0.00 1.56 0.00 0.00 1.80 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.52 7.81 110 F 9.94 5.43 0.00 3.27 3.29 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 0.00 111 K 9.23 4.96 0.00 1.77 1.38 0.00 1.44 0.00 0.00 1.62 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.04 1.28 7.81 112 G 9.14 3.10 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 0.00 0.00 0.00 113 I 8.10 4.88 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.75 0.92 0.00 0.00 114 K 8.76 4.05 0.00 1.59 1.61 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.76 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.20 0.90 7.81 115 K 8.95 4.04 0.00 1.65 1.67 0.00 1.08 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.16 0.00 0.00 0.00 0.00 1.15 1.13 7.81 116 G 8.47 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 0.00 0.00 0.00 117 G 7.70 3.80 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 0.00 0.00 0.00 118 V 8.00 3.41 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 0.82 0.00 0.00 0.95 0.00 0.00 119 T 7.91 3.42 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 1.27 0.00 0.00 120 E 8.38 4.82 0.00 1.85 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.37 0.00 121 N 9.32 5.04 0.00 2.65 2.76 0.00 0.00 6.57 7.54 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 0.00 122 T 7.49 4.70 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 1.16 0.00 0.00 123 S 8.00 4.60 0.00 4.01 3.87 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 0.00 0.00 0.00 124 Y 8.48 4.77 0.00 3.21 3.09 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 0.00 0.00 0.00 0.00 125 Y 8.89 5.12 0.00 3.05 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 0.00 126 I 9.18 4.59 1.91 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 1.32 1.07 1.03 0.00 0.00 127 F 9.19 5.25 0.00 2.73 2.97 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 0.00 128 T 9.03 4.85 4.33 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 1.36 0.00 0.00 129 Q 8.50 3.99 0.00 1.35 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.88 0.00 0.00 0.00 0.00 0.00 2.07 1.88 0.00 130 C 8.68 4.67 0.00 3.18 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 0.00 131 P 0.00 4.21 0.00 2.03 2.12 0.00 3.67 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 2.03 2.08 0.00 132 D 7.95 4.48 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.35 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.17 4.57 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 0.00 135 F 9.30 4.96 0.00 3.09 2.97 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 0.00 136 E 9.12 4.96 0.00 1.89 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 2.08 2.18 0.00 137 A 7.81 4.66 0.28 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 0.00 138 F 8.80 4.88 0.00 2.29 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 3.77 0.00 1.85 1.47 0.00 3.86 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 140 V 8.27 3.92 2.25 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 0.84 0.00 0.00 1.06 0.00 0.00 141 H 9.85 4.60 0.00 3.21 3.52 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 N 8.15 5.15 0.00 2.92 2.31 0.00 0.00 6.36 7.68 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 0.00 143 W 8.53 4.94 0.00 3.40 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 0.00 144 Y 9.33 5.29 0.00 3.24 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 0.00 145 N 9.21 5.36 0.00 2.70 2.83 0.00 0.00 6.64 8.98 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 0.00 146 F 9.34 5.46 0.00 2.17 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 0.00 147 T 8.83 5.19 4.41 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 1.37 0.00 0.00 148 P 0.00 4.29 0.00 2.10 1.92 0.00 3.77 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.16 0.00 149 L 8.95 3.90 0.00 1.82 1.65 0.93 1.11 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 0.00 150 A 7.93 4.04 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 0.00 151 R 8.06 4.25 0.00 1.85 1.94 0.00 3.20 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 152 H 8.09 4.92 0.00 3.27 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 R 8.39 4.23 0.00 1.87 1.85 0.00 3.07 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.