NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4020 8.3349 116.7830 57.5869 64.6690 173.5405 2 W 3.7454 8.0046 120.9665 55.9572 29.2335 170.2008 3 V 4.2205 8.8246 123.7080 61.1636 32.8367 174.8228 4 W 4.9650 8.7424 126.1274 56.7774 31.7126 175.4895 5 N 5.0634 8.0869 118.4404 52.4980 35.7559 174.4659 6 Q 5.1618 7.8972 114.8119 55.6751 32.5837 175.5896 7 M 4.9589 9.0742 119.5696 53.6784 36.4835 174.2529 8 F 5.3518 8.9488 119.5778 55.7290 42.1920 174.9006 9 V 4.5566 8.5970 122.0780 61.0161 34.7274 174.6422 10 L 4.6514 8.7369 128.0667 53.8734 42.0969 177.4818 11 E 4.0072 8.9499 123.2780 59.1228 29.9273 178.6880 12 E 3.7028 8.3169 119.8978 58.7118 29.4768 177.4082 13 F 4.8624 7.4086 114.1057 57.4652 39.4917 176.1147 14 S 4.5482 7.7311 115.7249 57.1023 62.8620 175.0032 15 G 3.9314 7.8198 106.4374 45.8821 0.0000 171.1018 16 P 4.4827 0.0000 0.0000 64.7556 31.5895 176.4408 17 E 4.1521 7.4363 115.1523 54.9726 29.6475 174.9250 18 P 5.2425 0.0000 0.0000 62.1732 32.2979 175.6537 19 I 4.6119 8.2664 123.1645 58.7806 41.1916 173.9406 20 L 4.1745 8.7237 131.8812 55.6397 42.0386 175.9431 21 V 4.0215 8.7858 126.9846 64.0219 32.7550 175.4891 22 G 4.0452 7.2664 104.2707 46.7009 0.0000 171.2188 23 R 5.0257 8.3059 119.4828 54.8848 33.4278 175.9668 24 L 4.1231 8.4756 126.6047 54.7269 43.1157 175.7064 25 H 4.6745 8.3161 120.3216 55.4387 33.1998 172.7109 26 T 4.6351 8.2131 123.2599 61.8395 70.7830 174.3846 27 D 4.6236 8.5136 123.4124 53.4589 39.7089 176.3111 28 L 4.1424 7.2178 120.6192 55.4037 42.7029 176.1102 29 D 5.1655 8.0315 123.4140 52.1279 44.6154 176.4262 30 P 4.6081 0.0000 0.0000 62.1558 30.7629 177.1123 31 G 4.1384 9.0793 120.0644 46.0917 0.0000 172.7959 *34 K 4.1508 7.5720 120.5405 55.6609 33.7175 173.9565 35 I 4.1495 8.4505 127.8965 60.4267 38.4372 174.8728 36 K 4.0186 8.4815 128.8729 54.8282 33.7384 174.4686 37 Y 4.9411 8.7937 126.3046 57.0733 39.5880 174.6562 38 I 4.7987 9.0801 125.2105 59.2766 40.7352 174.2183 39 L 5.3712 8.6608 127.7884 53.3885 44.5954 175.2579 40 S 4.6063 9.1323 119.5931 57.1049 67.3579 172.7099 41 G 3.7250 9.0128 103.6744 43.9827 0.0000 171.3736 42 D 4.8372 7.6329 120.4610 55.1408 40.5325 176.5329 43 G 3.9504 8.9329 109.9996 45.5771 0.0000 170.8148 44 A 4.3907 8.0193 123.2883 53.3221 18.7781 177.3216 45 G 4.4684 9.9084 119.5335 46.1841 0.0000 175.0635 46 T 4.1148 7.7004 108.7476 63.4086 69.8294 175.1921 47 I 3.9762 7.7044 121.3889 61.9262 39.3855 175.5988 48 F 5.3726 8.1189 121.0628 55.6423 41.2767 174.4379 49 Q 4.9516 9.3573 125.3846 54.2720 31.5092 173.9380 50 I 5.0217 8.4650 125.7411 59.4181 40.6990 173.7141 51 N 5.0311 8.6420 126.8872 51.9278 39.9680 175.7131 52 D 4.9855 8.9778 125.2392 55.4526 40.0841 178.3806 53 I 4.2190 8.1791 120.3673 64.0253 37.7624 177.1519 54 T 4.0538 8.5240 109.2551 62.4224 69.1362 176.0284 55 G 3.5588 8.5392 109.5685 45.7237 0.0000 172.6706 56 D 4.7152 7.8862 120.8624 54.6437 42.2081 175.3699 57 I 4.9687 8.9277 124.4195 60.0171 39.5919 174.2510 58 H 5.4466 9.3402 124.6040 53.8388 31.8805 173.5349 59 A 4.7828 9.1212 125.1615 51.3274 19.6537 177.6925 60 I 4.3944 8.5838 115.2257 60.3119 38.6412 175.4498 61 K 4.6667 7.6784 120.0120 54.5135 36.2054 176.0344 62 R 3.9514 8.6803 123.3274 56.9942 30.3705 175.8304 63 L 4.6135 8.7171 126.3685 53.3503 43.7797 176.3179 64 D 4.5319 8.2419 120.0049 52.4678 42.3578 175.7625 65 R 4.2579 9.1074 127.9010 58.5379 30.3510 177.8835 66 E 4.1444 8.1113 116.5503 58.9621 29.8688 178.0370 67 E 4.0422 8.4323 118.7454 58.4074 29.8283 176.7841 68 K 4.3170 8.3139 119.4040 55.2254 35.4952 175.5627 69 A 4.5822 8.6029 127.4652 53.0891 20.8940 176.4408 70 E 5.1192 7.8642 113.0068 54.8807 33.7645 174.9556 71 Y 4.6830 9.2513 121.6498 56.5491 41.0273 174.8529 72 T 4.6058 8.8101 122.3941 62.5913 69.9585 174.3440 73 L 5.0575 8.3956 126.1303 52.9886 46.1067 175.3774 74 T 5.0812 8.8407 116.5756 61.8887 71.7000 173.2756 75 A 5.0977 9.4566 128.4235 50.9553 21.1005 176.0512 76 Q 5.0090 9.2928 119.8607 54.0511 33.7573 174.2542 77 A 4.9805 8.3946 122.3054 50.4167 22.4370 175.4872 78 V 4.7782 8.5675 115.2517 59.0789 36.8029 174.4224 79 D 4.6203 8.5734 122.4374 54.0064 41.4496 177.1809 80 F 4.0140 8.2991 125.6235 60.6783 39.4147 176.5743 81 E 4.1904 8.5478 120.0923 58.6969 29.6727 177.0646 82 T 4.2480 7.8846 105.2377 60.6729 69.6964 174.2043 83 N 4.1093 8.3880 121.3904 54.7420 38.4839 174.3081 84 K 4.2641 7.7330 120.2814 54.2889 32.8870 178.8436 85 P 4.7889 0.0000 0.0000 62.5194 31.4699 176.2414 86 L 4.6559 9.0836 122.5153 54.8331 43.2348 176.2658 87 E 4.7471 7.8529 116.7368 53.5225 33.6762 173.1129 88 P 4.4485 0.0000 0.0000 61.7974 32.1732 174.5206 89 P 4.6210 0.0000 0.0000 63.4337 32.0496 175.9505 90 S 4.7353 9.0498 119.5508 56.7762 67.0763 173.4638 91 E 4.8862 9.0124 124.5158 56.4917 30.2553 175.9570 92 F 5.1877 9.0182 117.3461 55.6040 42.4402 172.9902 93 I 4.7665 8.5886 119.8221 59.5553 40.3926 174.7082 94 I 4.5992 8.5489 128.1693 59.8106 38.9053 174.6583 95 K 4.9413 9.0342 127.7456 54.6044 34.3120 175.6135 96 V 4.6227 9.4197 126.0321 62.5788 32.5580 174.7021 97 Q 3.5537 9.7878 129.0535 53.5835 32.5298 176.9685 98 D 4.7259 7.6112 119.7833 53.5023 40.2697 176.2650 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 S 8.33 4.40 0.00 3.67 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 2 W 8.00 3.75 0.00 3.32 2.14 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 3 V 8.82 4.22 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 0.86 0.00 0.00 0.93 0.00 0.00 4 W 8.74 4.96 0.00 3.31 3.12 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 0.00 0.00 0.00 0.00 5 N 8.09 5.06 0.00 2.91 3.12 0.00 0.00 5.76 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 6 Q 7.90 5.16 0.00 1.73 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.43 6.79 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 7 M 9.07 4.96 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 8 F 8.95 5.35 0.00 2.91 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 9 V 8.60 4.56 2.24 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 1.20 0.00 0.00 1.08 0.00 0.00 10 L 8.74 4.65 0.00 2.10 1.67 1.23 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.95 4.01 0.00 2.17 2.24 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 2.50 2.27 0.00 12 E 8.32 3.70 0.00 1.59 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 1.61 1.47 0.00 13 F 7.41 4.86 0.00 3.12 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 14 S 7.73 4.55 0.00 4.16 3.91 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 15 G 7.82 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 16 P 0.00 4.48 0.00 2.05 2.12 0.00 3.69 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 2.02 2.06 0.00 17 E 7.44 4.15 0.00 2.07 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 2.33 2.45 0.00 18 P 0.00 5.24 0.00 1.92 2.02 0.00 3.66 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 19 I 8.27 4.61 1.95 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.83 1.04 0.00 0.00 20 L 8.72 4.17 0.00 1.59 1.53 0.80 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.79 4.02 2.23 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 0.73 0.00 0.00 1.16 0.00 0.00 22 G 7.27 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 23 R 8.31 5.03 0.00 1.65 1.60 0.00 3.05 0.00 0.00 3.02 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.68 0.00 24 L 8.48 4.12 0.00 1.17 1.41 1.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.32 4.67 0.00 2.86 3.04 0.00 5.87 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 T 8.21 4.64 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 1.28 0.00 0.00 27 D 8.51 4.62 0.00 2.77 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 28 L 7.22 4.14 0.00 1.67 1.57 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.03 5.17 0.00 2.69 2.61 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 30 P 0.00 4.61 0.00 2.04 1.14 0.00 3.70 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 31 G 9.08 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 *34 K 7.57 4.15 0.00 1.91 1.89 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.63 1.57 7.81 35 I 8.45 4.15 1.53 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 1.12 0.63 0.21 0.00 0.00 36 K 8.48 4.02 0.00 0.79 1.05 0.00 1.05 0.00 0.00 1.28 0.00 0.00 2.71 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.00 0.90 7.81 37 Y 8.79 4.94 0.00 3.04 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 38 I 9.08 4.80 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.73 0.93 0.00 0.00 39 L 8.66 5.37 0.00 1.70 1.59 1.23 0.99 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 40 S 9.13 4.61 0.00 3.92 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 41 G 9.01 3.72 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 0.00 0.00 0.00 42 D 7.63 4.84 0.00 2.90 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 43 G 8.93 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 0.00 0.00 0.00 44 A 8.02 4.39 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 45 G 9.91 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 46 T 7.70 4.11 4.22 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 1.22 0.00 0.00 47 I 7.70 3.98 1.48 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.56 -0.33 0.00 0.00 48 F 8.12 5.37 0.00 2.99 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 9.36 4.95 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 50 I 8.46 5.02 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.24 0.99 0.00 0.00 51 N 8.64 5.03 0.00 2.88 2.72 0.00 0.00 7.04 8.42 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 52 D 8.98 4.99 0.00 2.96 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 53 I 8.18 4.22 2.13 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.84 0.99 0.00 0.00 54 T 8.52 4.05 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 1.29 0.00 0.00 55 G 8.54 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 56 D 7.89 4.72 0.00 2.67 2.61 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 57 I 8.93 4.97 1.86 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.77 0.98 0.00 0.00 58 H 9.34 5.45 0.00 3.13 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 9.12 4.78 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 60 I 8.58 4.39 1.85 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 1.32 0.78 0.92 0.00 0.00 61 K 7.68 4.67 0.00 1.42 1.56 0.00 1.81 0.00 0.00 1.56 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.35 7.81 62 R 8.68 3.95 0.00 1.79 1.83 0.00 3.26 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 63 L 8.72 4.61 0.00 1.68 1.64 1.02 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 64 D 8.24 4.53 0.00 2.66 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 65 R 9.11 4.26 0.00 2.02 1.98 0.00 3.50 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 66 E 8.11 4.14 0.00 2.13 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 2.35 2.25 0.00 67 E 8.43 4.04 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 68 K 8.31 4.32 0.00 1.64 1.35 0.00 1.32 0.00 0.00 0.61 0.00 0.00 2.63 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.87 1.10 7.81 69 A 8.60 4.58 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 70 E 7.86 5.12 0.00 1.73 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 2.20 2.30 0.00 71 Y 9.25 4.68 0.00 2.73 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 72 T 8.81 4.61 4.17 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 1.13 0.00 0.00 73 L 8.40 5.06 0.00 0.27 1.24 0.47 0.38 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 74 T 8.84 5.08 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 1.26 0.00 0.00 75 A 9.46 5.10 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 76 Q 9.29 5.01 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 77 A 8.39 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.57 4.78 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 0.64 0.00 0.00 0.75 0.00 0.00 79 D 8.57 4.62 0.00 2.75 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.30 4.01 0.00 3.12 3.08 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 0.00 0.00 0.00 0.00 81 E 8.55 4.19 0.00 1.98 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 0.00 2.29 2.32 0.00 82 T 7.88 4.25 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 83 N 8.39 4.11 0.00 2.84 2.88 0.00 0.00 7.03 6.26 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 84 K 7.73 4.26 0.00 1.51 1.67 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.37 1.29 7.81 85 P 0.00 4.79 0.00 1.91 1.99 0.00 3.58 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 2.10 0.00 86 L 9.08 4.66 0.00 1.36 1.62 0.82 0.99 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 87 E 7.85 4.75 0.00 1.87 1.79 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 2.17 2.23 0.00 88 P 0.00 4.45 0.00 2.19 2.06 0.00 3.78 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 2.00 2.00 0.00 89 P 0.00 4.62 0.00 1.98 2.07 0.00 3.63 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 2.04 2.13 0.00 90 S 9.05 4.74 0.00 3.79 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 91 E 9.01 4.89 0.00 1.88 1.87 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 2.32 2.33 0.00 92 F 9.02 5.19 0.00 3.26 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 93 I 8.59 4.77 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.59 0.82 0.00 0.00 94 I 8.55 4.60 1.38 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 1.06 0.30 0.55 0.00 0.00 95 K 9.03 4.94 0.00 1.09 1.71 0.00 1.43 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.23 0.95 7.81 96 V 9.42 4.62 2.24 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 0.87 0.00 0.00 1.25 0.00 0.00 97 Q 9.79 3.55 0.00 2.34 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.18 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 98 D 7.61 4.73 0.00 2.74 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.