NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 E 4.2433 8.4444 121.4703 56.4000 30.8202 174.5374 9 N 4.7422 9.4569 122.9384 53.0770 39.9311 170.5091 10 E 5.3304 8.0056 115.9610 54.0182 33.0538 174.8267 11 E 4.5353 9.1671 122.0369 55.2057 32.3397 175.1935 12 V 4.4780 8.2245 121.6400 62.2012 31.7251 175.4278 13 L 4.5217 9.2095 128.6983 56.1184 42.7904 176.8553 14 F 4.7800 7.9586 118.8411 57.4575 42.8684 172.5700 15 C 4.8953 7.3378 125.0834 58.4682 34.2042 172.3340 16 E 4.5632 8.6243 125.5967 54.5329 33.3311 174.1012 17 K 4.5550 8.6190 126.2368 56.9010 32.8577 175.6367 18 A 4.9938 9.3381 127.9657 50.4595 23.4566 174.3661 19 K 4.9278 9.0754 120.3122 54.5137 35.5753 174.4890 20 L 4.9783 8.8343 129.1175 53.5542 44.0154 174.9504 21 L 5.3656 9.0363 125.9494 53.1096 45.4410 175.5874 22 I 5.0098 8.5550 122.4149 59.1674 41.5966 174.5675 23 F 3.8644 8.7525 128.6733 58.2276 40.2191 173.7202 24 D 4.6178 7.7922 126.7426 52.1881 41.8523 176.9485 25 S 4.3290 8.5731 121.8529 61.1237 63.4436 175.8721 26 D 4.4080 8.1218 120.3088 57.6915 40.7913 177.9685 27 T 3.8185 8.0515 114.3099 64.5456 68.4640 175.2410 28 K 3.6969 8.6004 119.2164 56.5872 30.0559 174.9989 29 G 4.2520 6.6251 104.2856 45.3974 0.0000 172.3963 30 Y 4.8498 8.7962 118.3645 57.9112 38.7068 175.7757 31 T 4.7185 8.7147 113.8077 59.4073 72.2256 173.3047 32 S 4.6769 8.8139 119.3024 59.0403 62.6764 173.8068 33 R 4.4361 10.6400 125.7050 55.6789 31.0741 176.0225 34 G 4.3484 6.2578 107.3798 43.9926 0.0000 171.6376 35 V 4.7587 7.2454 119.7182 61.0695 34.8989 174.7734 36 G 4.3548 8.5538 112.7317 45.9630 0.0000 171.1147 37 E 4.7350 8.5418 121.6120 55.4338 30.2908 175.7243 38 L 4.7188 9.1006 130.2516 53.7055 44.0136 175.0995 39 K 5.1896 8.9624 125.5855 54.5163 35.7234 174.7598 40 L 4.8817 8.9825 127.2410 54.0042 43.5902 175.0920 41 L 5.3483 9.0583 126.4610 52.9186 45.3913 175.5355 42 R 5.0603 8.6635 122.7747 54.0358 33.8253 174.4724 43 K 4.4598 8.6515 125.8472 56.5809 32.3325 178.2134 44 K 3.9370 9.0718 126.5038 59.2576 32.2012 177.9604 45 D 4.4664 7.9617 116.4403 54.4524 40.3369 175.7005 46 D 4.5189 7.9510 119.0754 52.4423 42.6093 175.5540 47 K 4.2569 8.7240 126.1451 57.8075 32.3332 178.3447 48 G 3.7119 8.4474 107.4544 46.0547 0.0000 173.9604 49 K 4.4571 7.8277 120.2352 54.7798 33.3171 175.2563 50 V 5.0416 8.1181 124.8223 60.9536 35.0141 174.2915 51 R 5.1808 9.0617 122.6340 55.0702 33.7163 173.8642 52 V 4.8183 8.7561 113.1716 59.8736 34.2157 174.9734 53 L 5.7747 8.5200 125.1041 52.1792 46.7285 174.8938 *55 R 4.5609 8.3078 118.2522 55.5628 31.7109 175.9543 56 S 4.6039 8.9555 119.2968 58.5560 64.1951 173.7638 57 E 4.3060 8.7646 121.6605 57.4918 29.6061 177.6339 58 G 3.8511 8.9142 110.8217 46.1461 0.0000 174.7720 *60 G 4.1811 7.8676 106.9666 43.1151 0.0000 172.3558 61 H 4.6424 8.0242 115.7041 53.6396 29.9895 174.8107 62 V 3.9926 8.1189 120.4392 62.8949 31.2597 175.7758 63 L 4.1917 8.3807 128.2554 56.7410 42.4342 177.4402 64 L 4.5584 7.4557 119.1119 53.6763 44.9253 174.1470 65 N 4.9255 8.5189 124.3315 52.9267 39.8239 172.6218 66 T 4.8436 8.4946 118.6673 60.2026 71.4650 173.0007 67 S 4.7600 8.7122 123.1974 58.3776 63.9082 174.0835 68 V 3.7726 8.5041 124.5835 62.8429 32.1264 175.4463 69 V 4.1009 8.8799 128.3855 60.8308 32.5531 176.7313 70 K 3.9684 8.5767 126.8120 59.6974 32.0246 178.0744 71 S 4.3754 7.7399 111.8922 59.3195 63.2094 173.7568 72 F 4.9064 7.6615 119.5406 55.5814 40.4771 175.2039 73 K 4.1741 8.0020 123.1734 55.2985 33.0837 175.9517 74 Y 4.6123 8.2706 121.7748 56.2355 38.9974 174.7635 75 Q 4.6894 8.2732 121.9612 53.3979 32.7127 173.0611 76 P 4.8252 0.0000 0.0000 62.6210 31.8799 176.7219 77 I 3.7755 8.5121 123.6842 63.9605 37.4968 175.7796 78 D 4.4264 7.3034 115.7968 52.9704 41.3958 175.5294 79 A 4.0724 8.6428 120.9509 55.1795 18.4323 178.3203 80 D 4.6379 8.2798 113.9606 55.4131 42.1196 176.1792 81 N 5.1096 7.8816 116.2501 52.2253 39.4237 175.5719 82 E 4.1090 8.0091 118.7070 58.7176 30.5634 178.4333 83 N 4.8527 8.1203 115.5798 52.6888 39.0677 174.3513 84 L 5.0779 8.0995 119.9444 53.5389 45.0751 175.2887 85 I 4.8498 8.8510 126.2704 59.2727 39.2054 175.6881 86 K 4.4447 9.2379 128.0538 56.3480 33.3088 176.1094 87 W 4.8649 9.6864 135.0000 54.3904 31.2100 172.2517 88 P 4.7199 0.0000 0.0000 62.3937 31.9170 175.2332 89 I 4.5753 8.5215 121.7835 60.1172 42.0520 173.5612 90 I 4.8242 8.6506 130.2844 60.5439 37.9058 175.0669 91 T 4.5566 8.2576 118.0514 59.1866 70.3807 173.9386 92 D 4.5604 8.7686 125.8964 56.1423 41.3768 174.8832 93 G 4.3197 9.6742 112.6407 45.5156 0.0000 173.9360 94 K 4.5696 7.9329 117.2207 53.8745 35.9316 175.0636 95 L 4.5809 8.4665 124.5656 55.0154 42.4699 175.7120 96 E 4.7965 9.4539 126.1306 54.8713 33.1928 175.3611 97 T 4.8350 8.4273 118.2944 62.0367 70.3596 174.4152 98 F 5.2842 9.0870 125.9662 57.2752 41.1855 174.7781 99 I 5.0771 8.9570 120.7864 59.7661 40.5344 174.7384 100 I 4.7737 8.8839 127.9410 59.5984 39.2376 174.3598 101 K 4.9976 9.0271 129.4436 54.8608 33.9093 175.5847 102 V 4.7022 8.3592 120.4882 59.2603 34.0430 176.1604 103 K 4.0567 8.8420 123.3934 58.6594 32.6353 177.4286 104 Q 4.7426 7.7718 117.8452 53.5574 32.8572 176.0637 105 K 3.9015 8.6603 124.8957 59.8230 32.1971 179.4259 106 A 4.0507 7.9942 120.3011 55.2685 18.2778 179.2391 107 D 4.5871 8.2386 117.1734 57.4317 40.9489 179.1051 108 G 3.9631 7.9670 107.5875 47.3957 0.0000 176.0498 109 R 3.9623 8.1974 120.7097 58.7617 29.9985 178.9663 110 R 3.9067 8.1561 118.5448 59.4133 30.0481 178.0709 111 L 3.0603 7.9252 119.9890 57.9933 41.9764 179.0294 112 V 3.6683 7.8562 118.0540 65.9260 31.3663 178.1045 113 G 3.6143 8.5268 105.5080 47.9436 0.0000 175.5284 114 A 4.0361 8.3524 124.2152 54.5761 18.3646 179.9666 115 V 3.4465 8.0451 116.7864 66.0336 31.6209 178.1371 116 A 4.0259 8.1148 120.5481 55.2847 18.3571 179.3316 117 D 4.2790 8.5008 117.5290 57.3876 40.6797 178.8255 118 A 4.0028 7.9056 120.0662 55.4142 18.4927 179.2939 119 Q 4.0786 8.3236 115.5578 59.1870 28.8284 178.6961 120 Q 4.1094 7.9442 119.4294 58.7310 29.5907 178.7711 121 A 4.2310 7.6335 121.9970 51.7705 17.9267 177.1477 *123 E 4.0590 8.1699 126.7717 57.7409 30.0322 176.4415 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 8 E 8.44 4.24 0.00 1.93 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 2.19 2.46 0.00 9 N 9.46 4.74 0.00 2.84 2.73 0.00 0.00 7.16 6.77 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 10 E 8.01 5.33 0.00 1.85 1.81 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 2.20 2.27 0.00 11 E 9.17 4.54 0.00 2.02 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 2.26 0.00 12 V 8.22 4.48 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 0.82 0.00 0.00 0.93 0.00 0.00 13 L 9.21 4.52 0.00 1.60 1.78 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.96 4.78 0.00 3.06 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 C 7.34 4.90 0.00 2.85 2.55 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 16 E 8.62 4.56 0.00 1.36 1.72 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 2.24 2.27 0.00 17 K 8.62 4.55 0.00 1.78 1.70 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.44 7.81 18 A 9.34 4.99 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 19 K 9.08 4.93 0.00 1.79 1.62 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.46 7.81 20 L 8.83 4.98 0.00 1.72 1.44 0.92 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 21 L 9.04 5.37 0.00 1.64 1.68 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 22 I 8.56 5.01 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 0.06 0.31 0.84 0.00 0.00 23 F 8.75 3.86 0.00 2.00 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 24 D 7.79 4.62 0.00 2.48 2.32 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 25 S 8.57 4.33 0.00 4.07 4.09 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 26 D 8.12 4.41 0.00 2.81 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 27 T 8.05 3.82 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 1.14 0.00 0.00 28 K 8.60 3.70 0.00 1.84 2.00 0.00 1.75 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.34 7.81 29 G 6.63 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 Y 8.80 4.85 0.00 2.97 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 31 T 8.71 4.72 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 1.14 0.00 0.00 32 S 8.81 4.68 0.00 3.91 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 33 R 10.64 4.44 0.00 1.58 1.86 0.00 3.39 0.00 0.00 3.18 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 34 G 6.26 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 0.00 0.00 0.00 0.00 35 V 7.25 4.76 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 1.11 0.00 0.00 0.92 0.00 0.00 36 G 8.55 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 0.00 0.00 0.00 0.00 37 E 8.54 4.74 0.00 1.95 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 2.20 0.00 38 L 9.10 4.72 0.00 1.75 1.77 0.70 0.25 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 39 K 8.96 5.19 0.00 1.71 1.67 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.73 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.32 7.81 40 L 8.98 4.88 0.00 1.88 1.70 1.04 0.36 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 41 L 9.06 5.35 0.00 1.60 1.52 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.66 5.06 0.00 1.87 1.73 0.00 3.10 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.73 0.00 43 K 8.65 4.46 0.00 1.98 1.98 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.58 7.81 44 K 9.07 3.94 0.00 1.72 1.89 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.52 7.81 45 D 7.96 4.47 0.00 2.78 2.79 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 46 D 7.95 4.52 0.00 2.66 2.53 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 0.00 47 K 8.72 4.26 0.00 1.79 1.85 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.44 7.81 48 G 8.45 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.83 4.46 0.00 1.91 1.78 0.00 1.49 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.40 7.81 50 V 8.12 5.04 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 1.19 0.00 0.00 0.93 0.00 0.00 51 R 9.06 5.18 0.00 2.06 1.99 0.00 2.95 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 52 V 8.76 4.82 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 0.68 0.00 0.00 53 L 8.52 5.77 0.00 1.70 1.47 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 *55 R 8.31 4.56 0.00 1.81 1.86 0.00 3.18 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 56 S 8.96 4.60 0.00 3.82 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 57 E 8.76 4.31 0.00 1.87 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 0.00 2.33 2.25 0.00 58 G 8.91 3.85 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 0.00 0.00 0.00 *60 G 7.87 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 H 8.02 4.64 0.00 3.35 3.40 0.00 5.27 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 V 8.12 3.99 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 0.85 0.00 0.00 0.93 0.00 0.00 63 L 8.38 4.19 0.00 1.59 1.63 0.82 0.94 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 64 L 7.46 4.56 0.00 1.64 1.37 1.16 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.52 4.93 0.00 2.66 2.70 0.00 0.00 6.81 7.70 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 66 T 8.49 4.84 4.37 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 1.50 0.00 0.00 67 S 8.71 4.76 0.00 3.82 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 68 V 8.50 3.77 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 0.57 0.00 0.00 0.90 0.00 0.00 69 V 8.88 4.10 1.01 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 0.16 0.00 0.00 0.68 0.00 0.00 70 K 8.58 3.97 0.00 1.72 1.83 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.43 1.44 7.81 71 S 7.74 4.38 0.00 3.72 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 F 7.66 4.91 0.00 2.66 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 0.00 0.00 0.00 73 K 8.00 4.17 0.00 1.53 1.59 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.35 7.81 74 Y 8.27 4.61 0.00 2.64 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 75 Q 8.27 4.69 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.89 0.00 0.00 0.00 0.00 0.00 2.13 2.27 0.00 76 P 0.00 4.83 0.00 2.08 2.15 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 77 I 8.51 3.78 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.56 0.89 0.00 0.00 78 D 7.30 4.43 0.00 2.83 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 79 A 8.64 4.07 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 80 D 8.28 4.64 0.00 2.84 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 81 N 7.88 5.11 0.00 2.72 2.69 0.00 0.00 6.91 7.20 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 82 E 8.01 4.11 0.00 2.04 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 2.41 2.46 0.00 83 N 8.12 4.85 0.00 3.01 3.14 0.00 0.00 6.04 6.67 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 84 L 8.10 5.08 0.00 1.72 1.56 0.92 0.70 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 85 I 8.85 4.85 2.06 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 1.29 1.07 1.15 0.00 0.00 86 K 9.24 4.44 0.00 1.71 1.72 0.00 1.56 0.00 0.00 1.54 0.00 0.00 2.71 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.48 7.81 87 W 9.69 4.86 0.00 3.65 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 4.72 0.00 0.82 1.25 0.00 2.82 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.65 0.00 89 I 8.52 4.58 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 1.18 1.20 -0.01 0.00 0.00 90 I 8.65 4.82 1.96 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.91 0.95 0.00 0.00 91 T 8.26 4.56 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 92 D 8.77 4.56 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 9.67 4.32 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 0.00 94 K 7.93 4.57 0.00 1.82 1.64 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.35 7.81 95 L 8.47 4.58 0.00 1.55 1.50 0.45 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 96 E 9.45 4.80 0.00 1.87 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 2.30 2.33 0.00 97 T 8.43 4.84 4.37 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 1.27 0.00 0.00 98 F 9.09 5.28 0.00 3.19 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 99 I 8.96 5.08 1.71 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.63 0.85 0.00 0.00 100 I 8.88 4.77 1.94 0.00 0.00 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.65 0.87 0.00 0.00 101 K 9.03 5.00 0.00 1.81 1.66 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.40 7.81 102 V 8.36 4.70 2.17 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 0.88 0.00 0.00 1.06 0.00 0.00 103 K 8.84 4.06 0.00 1.73 1.85 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.44 7.81 104 Q 7.77 4.74 0.00 2.37 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.53 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 105 K 8.66 3.90 0.00 1.85 1.87 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.55 1.54 7.81 106 A 7.99 4.05 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 0.00 107 D 8.24 4.59 0.00 2.95 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 0.00 108 G 7.97 3.96 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 0.00 0.00 0.00 109 R 8.20 3.96 0.00 2.04 2.01 0.00 3.16 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.88 0.00 110 R 8.16 3.91 0.00 2.23 2.37 0.00 3.24 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 1.93 1.78 0.00 111 L 7.93 3.06 0.00 1.06 1.61 0.14 0.81 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 0.00 112 V 7.86 3.67 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 1.02 0.00 0.00 1.04 0.00 0.00 113 G 8.53 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.35 4.04 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 0.00 115 V 8.05 3.45 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 0.53 0.00 0.00 0.95 0.00 0.00 116 A 8.11 4.03 1.40 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 0.00 0.00 0.00 117 D 8.50 4.28 0.00 2.69 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 0.00 118 A 7.91 4.00 1.39 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 0.00 0.00 119 Q 8.32 4.08 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.90 0.00 0.00 0.00 0.00 0.00 2.42 2.52 0.00 120 Q 7.94 4.11 0.00 2.05 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.65 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 121 A 7.63 4.23 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 *123 E 8.17 4.06 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 2.39 2.25 0.00 * Residues marked with a * may have inaccurate shift predictions.