NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 S 4.4416 8.1933 115.2895 58.6685 64.3863 175.9682 7 T 3.7686 7.7208 116.6971 65.3718 68.1966 175.1986 8 K 3.9411 8.1895 121.5957 59.1125 32.6882 178.2927 9 K 3.9302 8.0044 119.5996 59.8597 32.1069 178.7861 10 T 4.0370 7.6832 116.1334 66.5870 68.3602 176.4747 11 Q 3.9235 8.3308 121.8776 59.2254 29.1042 178.4615 12 L 3.9624 8.3446 120.3955 57.8240 41.6666 179.3703 13 Q 4.0979 8.1367 118.0340 59.0967 28.5970 179.0558 14 L 4.0444 8.2170 120.1291 57.6898 41.6301 179.1261 15 E 3.9288 8.1531 119.3487 59.6128 29.4599 178.6909 16 H 4.2716 8.2621 116.3085 58.5052 28.7685 177.4405 17 L 3.9283 7.9744 122.2234 58.0949 42.0075 178.5136 18 L 3.9864 8.2437 120.5566 58.4613 41.9848 178.9991 19 L 4.0246 7.9450 118.5661 57.9061 41.4009 179.2839 20 D 4.3845 8.3880 118.9614 57.4595 40.7949 178.9204 21 L 4.0582 8.0802 119.4310 57.9165 41.5219 179.6295 22 Q 4.0618 8.2973 118.0628 58.9422 28.5810 178.6155 23 M 4.0335 8.1985 119.8582 58.4722 31.8224 178.7798 24 I 3.6970 7.2602 118.3804 64.3096 37.7381 177.8371 25 L 4.0995 7.9316 121.0578 58.4572 41.8213 178.8909 26 N 4.4732 8.5559 116.6699 55.9620 38.2537 177.1306 27 G 3.5157 7.8827 105.2073 46.3110 0.0000 175.0520 28 I 3.5720 7.2978 121.7146 63.3698 37.1883 177.7272 29 N 4.4417 7.3820 116.0451 55.8588 38.5667 176.2263 30 N 4.3950 7.6643 114.1800 55.4250 38.8608 174.7044 31 Y 4.8005 6.6748 114.9210 57.6893 39.6262 178.4843 32 K 4.9402 8.0686 128.1311 56.2957 31.0428 178.2590 33 N 4.8910 8.9044 122.5190 54.6259 40.2944 174.3001 34 P 4.3998 0.0000 0.0000 64.2170 31.3407 178.4442 35 K 3.9102 7.8455 118.7710 58.9997 32.5497 178.1814 36 L 4.0445 7.8252 120.0293 58.5308 41.9197 178.8462 37 T 3.8869 7.4785 114.2133 66.7697 68.3510 176.4375 38 R 4.0474 7.5414 120.6261 59.4666 29.9357 178.2149 39 M 4.1895 8.3128 118.3358 58.4250 32.0567 177.7799 40 L 4.3153 7.8093 117.4454 56.6694 41.9668 178.7532 41 T 4.1320 7.4895 108.2227 62.7960 69.1028 174.7152 42 F 3.8580 7.5749 125.1571 57.8806 39.8635 174.0021 43 K 4.9149 7.8557 127.1672 54.8768 33.8503 175.6529 44 F 4.8108 9.2689 122.7657 55.6378 42.5898 174.2199 45 Y 4.7826 9.4956 120.2002 58.2549 38.6291 174.9282 46 M 5.1164 8.9651 123.2483 52.7652 34.9491 173.5591 47 P 4.7429 0.0000 0.0000 62.8572 31.7047 176.6853 48 K 4.1997 9.2635 123.3788 58.7329 32.7513 177.6774 49 K 4.4041 7.8240 119.5568 54.5517 34.5861 175.9263 50 A 4.7397 8.3584 129.1344 51.1454 19.4805 174.7417 51 T 4.7083 8.6878 108.6837 60.7364 70.8671 174.1949 52 E 4.7685 7.7939 119.0571 53.3342 33.1047 176.2752 53 L 4.1868 8.5862 119.3596 58.0659 41.0383 179.9387 54 K 4.1632 7.9605 117.9461 60.0825 32.4007 177.9287 55 H 4.0737 7.9040 115.6944 56.5678 28.7011 176.6542 56 L 3.8627 7.8839 121.7348 56.1816 41.4338 178.4372 57 Q 4.0277 7.7656 119.9231 59.5420 28.7510 177.4267 58 C 5.0432 8.1079 117.0041 58.2058 41.6308 175.4023 59 L 3.4399 7.0880 122.2874 57.6472 41.8048 177.7429 60 E 3.9083 7.9208 119.2042 59.5134 29.2836 178.0140 61 E 4.5063 8.1610 115.0439 57.2654 29.6962 176.9105 62 E 4.8477 8.1986 117.7707 55.4346 31.5623 177.6685 63 L 4.0997 8.0694 122.2116 57.3936 41.4242 179.2157 64 K 3.8746 8.0192 119.2688 59.2572 32.2410 177.0152 65 P 4.0670 0.0000 0.0000 65.0723 31.2021 178.4089 66 L 4.0245 7.8205 119.2802 58.2120 42.1181 178.6330 67 E 3.8817 8.7118 119.5357 59.1212 29.4191 178.1099 68 E 3.8474 8.3117 119.8587 59.5015 29.4396 179.3957 69 V 3.3614 7.3473 117.4654 64.5473 31.5839 178.0035 70 L 4.1604 7.8792 119.5600 57.3947 41.5942 179.0926 71 N 4.3700 8.1751 116.8164 56.0117 38.3147 176.7362 72 L 4.2389 7.5268 117.5669 55.6943 41.9529 177.7292 73 A 4.3174 7.2927 119.7545 53.5115 20.7652 177.3827 74 Q 4.2211 7.6862 120.7375 56.3294 30.0673 176.4527 *81 R 4.1491 8.3122 117.1314 58.0766 32.2313 171.3005 82 P 4.6114 0.0000 0.0000 64.5096 31.4718 179.0325 83 R 4.4241 7.8643 118.8187 59.1272 29.9990 178.1059 84 D 4.4181 8.0088 118.0421 56.8175 41.0621 178.4086 85 L 3.9480 7.5511 119.6628 58.3219 42.1378 179.1895 86 I 3.7695 7.6847 119.4304 64.1835 36.9841 178.2729 87 S 4.0704 8.1318 114.1734 61.4722 62.2242 175.8504 88 N 4.3022 8.3355 119.6767 56.6624 38.7153 176.8649 89 I 3.6871 7.6929 121.1328 64.2511 37.2048 177.6656 90 N 4.1774 8.2349 117.8699 56.7779 38.8248 176.7052 91 V 3.5460 7.6435 119.3201 66.2080 31.5576 177.8882 92 I 3.6594 7.7406 119.1364 64.4818 36.9219 178.4900 93 V 3.5644 8.2234 119.2162 66.1100 31.0873 177.9368 94 L 3.9778 8.2084 117.7392 57.8997 41.5088 179.1540 95 E 4.1224 7.9178 117.3973 59.4411 28.6526 179.0480 96 L 4.2342 8.1633 119.2399 57.2373 41.5978 179.4373 97 K 4.2998 8.2080 118.2736 57.1825 32.9229 176.7588 98 G 4.0924 7.2415 109.9754 45.9632 0.0000 173.8540 99 S 4.6542 8.3144 117.7899 56.0701 61.4278 171.8377 100 E 4.5724 8.1848 119.2122 56.6973 31.4713 176.6869 101 T 4.7287 7.4669 115.4217 60.7392 72.5654 173.7677 102 T 4.1761 8.3798 121.0889 63.0956 69.1100 174.4632 103 F 4.2965 8.7675 129.1830 58.0240 40.0720 174.7519 104 M 4.0383 7.4479 127.8612 54.1762 31.1469 176.4668 105 C 4.3307 8.2940 122.0730 56.4550 36.3951 173.1690 106 E 4.6616 8.3331 123.1810 54.6433 32.0395 174.5091 107 Y 5.3773 8.3086 120.6721 55.8628 41.4375 175.2423 108 A 4.3809 9.1121 124.4934 52.0349 18.8115 177.9023 109 D 4.4410 8.8197 119.4444 56.9636 41.2578 177.1268 110 E 4.2861 8.1123 119.2144 55.7230 29.7911 176.3975 111 T 4.6814 8.3550 114.3570 61.1001 70.7904 173.3421 112 A 5.1912 8.9079 122.9444 50.0323 23.1837 175.8310 113 T 4.7261 8.9654 110.1204 61.1913 70.3271 175.6741 114 I 3.2424 8.6084 120.6853 63.7516 37.7491 177.9399 115 V 3.5879 7.7512 118.8918 66.1003 31.5875 177.6787 116 E 3.9688 8.1256 118.0585 59.2785 29.1376 179.1356 117 F 4.1212 8.4322 120.6873 61.3264 39.3843 177.2445 118 L 3.9828 8.0976 118.5097 58.0108 41.4787 179.2582 119 N 4.3334 8.4282 116.5520 56.1374 38.3698 177.5610 120 R 3.6701 7.7833 120.1987 59.2090 30.2156 178.5524 121 W 4.4132 7.5499 118.2341 58.9644 29.1009 178.9385 122 I 3.7748 8.1638 120.8054 64.8118 36.7110 178.3685 123 T 3.8870 7.9019 116.5726 66.5110 68.1758 176.2850 124 F 4.0513 8.2062 122.5374 61.5561 39.4534 176.7670 125 C 4.0107 8.3659 116.1462 63.2184 27.8996 176.4017 126 Q 3.9504 8.0254 119.1776 58.8872 27.9801 178.9048 127 S 4.0236 7.4815 113.1215 61.2244 62.8081 176.0064 128 I 3.6888 7.3365 122.5401 64.3301 36.3383 178.3345 129 I 3.6719 7.7890 120.7462 64.6529 36.6754 178.6878 130 S 4.1799 7.6978 115.1888 61.0212 62.7014 175.7614 131 T 4.2315 7.4293 112.1387 62.8219 69.0716 175.4455 *132 L 4.0990 7.3559 126.7523 54.7529 41.7213 181.4913 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 6 S 8.19 4.44 0.00 3.87 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 7 T 7.72 3.77 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 1.20 0.00 0.00 8 K 8.19 3.94 0.00 1.81 1.80 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.48 7.81 9 K 8.00 3.93 0.00 1.86 1.92 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.54 7.81 10 T 7.68 4.04 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 1.21 0.00 0.00 11 Q 8.33 3.92 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 12 L 8.34 3.96 0.00 1.76 1.70 0.96 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.14 4.10 0.00 2.36 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 14 L 8.22 4.04 0.00 1.87 1.71 0.92 0.98 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 15 E 8.15 3.93 0.00 2.22 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 2.25 2.33 0.00 16 H 8.26 4.27 0.00 3.40 3.31 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.97 3.93 0.00 1.93 1.91 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.24 3.99 0.00 1.79 1.90 0.95 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.94 4.02 0.00 1.98 1.72 0.95 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.39 4.38 0.00 2.87 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 21 L 8.08 4.06 0.00 1.89 1.76 1.01 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.30 4.06 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 23 M 8.20 4.03 0.00 2.07 2.35 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 24 I 7.26 3.70 2.04 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 1.43 0.60 0.95 0.00 0.00 25 L 7.93 4.10 0.00 1.88 1.85 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.56 4.47 0.00 3.01 2.81 0.00 0.00 6.96 9.01 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 27 G 7.88 3.52 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 0.00 28 I 7.30 3.57 2.02 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 1.68 1.05 0.94 0.00 0.00 29 N 7.38 4.44 0.00 2.77 2.84 0.00 0.00 7.05 7.88 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 30 N 7.66 4.40 0.00 2.46 2.80 0.00 0.00 6.94 7.46 0.00 0.00 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 Y 6.67 4.80 0.00 3.12 2.82 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 0.00 0.00 0.00 0.00 32 K 8.07 4.94 0.00 1.76 1.00 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.48 1.59 7.81 33 N 8.90 4.89 0.00 2.71 2.79 0.00 0.00 6.85 8.03 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 34 P 0.00 4.40 0.00 2.15 2.09 0.00 3.60 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 2.11 2.14 0.00 35 K 7.85 3.91 0.00 1.75 1.77 0.00 1.52 0.00 0.00 1.11 0.00 0.00 2.64 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.01 1.22 7.81 36 L 7.83 4.04 0.00 1.93 1.72 1.01 0.86 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 37 T 7.48 3.89 4.31 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 1.23 0.00 0.00 38 R 7.54 4.05 0.00 2.15 1.97 0.00 3.15 0.00 0.00 3.09 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 39 M 8.31 4.19 0.00 2.32 2.15 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.66 0.00 40 L 7.81 4.32 0.00 1.90 1.77 0.97 0.96 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 41 T 7.49 4.13 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 42 F 7.57 3.86 0.00 3.08 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 43 K 7.86 4.91 0.00 1.38 1.57 0.00 1.77 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.25 7.81 44 F 9.27 4.81 0.00 3.03 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 45 Y 9.50 4.78 0.00 2.65 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 0.00 0.00 0.00 0.00 46 M 8.97 5.12 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.67 0.00 47 P 0.00 4.74 0.00 2.14 2.18 0.00 3.67 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.35 0.00 48 K 9.26 4.20 0.00 1.71 1.90 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.29 7.81 49 K 7.82 4.40 0.00 1.64 1.60 0.00 1.81 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.28 1.42 7.81 50 A 8.36 4.74 0.97 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 0.00 0.00 51 T 8.69 4.71 4.26 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 1.25 0.00 0.00 52 E 7.79 4.77 0.00 1.98 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 2.05 1.93 0.00 53 L 8.59 4.19 0.00 1.71 1.97 0.92 0.62 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 54 K 7.96 4.16 0.00 1.92 2.02 0.00 1.52 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.23 1.02 7.81 55 H 7.90 4.07 0.00 3.29 3.23 0.00 5.63 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 7.88 3.86 0.00 1.80 1.57 1.13 0.66 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 57 Q 7.77 4.03 0.00 2.31 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.83 0.00 0.00 0.00 0.00 0.00 2.71 2.71 0.00 58 C 8.11 5.04 0.00 3.55 3.55 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 59 L 7.09 3.44 0.00 0.27 1.07 0.11 0.34 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 60 E 7.92 3.91 0.00 2.04 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 0.00 2.33 2.36 0.00 61 E 8.16 4.51 0.00 2.26 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 0.00 2.44 2.59 0.00 62 E 8.20 4.85 0.00 2.34 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 2.38 2.75 0.00 63 L 8.07 4.10 0.00 1.79 1.72 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.02 3.87 0.00 1.80 1.81 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.49 7.81 65 P 0.00 4.07 0.00 1.89 1.90 0.00 3.76 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 2.26 2.11 0.00 66 L 7.82 4.02 0.00 1.87 1.91 0.77 1.34 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 67 E 8.71 3.88 0.00 2.13 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 2.44 2.31 0.00 68 E 8.31 3.85 0.00 2.20 1.68 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 2.28 2.30 0.00 69 V 7.35 3.36 1.49 0.00 0.00 0.00 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 0.64 0.00 0.00 70 L 7.88 4.16 0.00 1.88 1.77 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.18 4.37 0.00 2.97 2.83 0.00 0.00 6.92 6.71 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 72 L 7.53 4.24 0.00 1.64 1.66 0.97 0.72 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 73 A 7.29 4.32 0.94 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 74 Q 7.69 4.22 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.34 0.00 0.00 0.00 0.00 0.00 2.53 2.29 0.00 *81 R 8.31 4.15 0.00 1.87 1.90 0.00 3.25 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.30 0.00 82 P 0.00 4.61 0.00 2.15 2.13 0.00 3.58 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 2.22 2.15 0.00 83 R 7.86 4.42 0.00 1.87 1.93 0.00 3.21 0.00 0.00 3.30 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.61 0.00 84 D 8.01 4.42 0.00 2.73 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 85 L 7.55 3.95 0.00 1.82 1.67 0.93 0.99 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 86 I 7.68 3.77 1.87 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 1.64 0.72 0.92 0.00 0.00 87 S 8.13 4.07 0.00 3.96 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 88 N 8.34 4.30 0.00 3.00 2.93 0.00 0.00 7.26 7.57 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 89 I 7.69 3.69 2.01 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 1.40 0.46 0.86 0.00 0.00 90 N 8.23 4.18 0.00 2.78 3.01 0.00 0.00 6.86 7.27 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 91 V 7.64 3.55 2.22 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 0.97 0.00 0.00 0.99 0.00 0.00 92 I 7.74 3.66 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 1.67 0.77 0.97 0.00 0.00 93 V 8.22 3.56 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 1.08 0.00 0.00 0.86 0.00 0.00 94 L 8.21 3.98 0.00 1.78 1.72 0.98 0.96 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 95 E 7.92 4.12 0.00 2.18 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 2.35 2.49 0.00 96 L 8.16 4.23 0.00 1.72 1.75 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.21 4.30 0.00 1.91 2.03 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.69 1.47 7.81 98 G 7.24 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 0.00 0.00 0.00 99 S 8.31 4.65 0.00 3.83 3.78 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 0.00 100 E 8.18 4.57 0.00 2.06 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 2.17 2.37 0.00 101 T 7.47 4.73 4.30 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 1.24 0.00 0.00 102 T 8.38 4.18 4.26 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 1.24 0.00 0.00 103 F 8.77 4.30 0.00 3.00 3.03 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 0.00 104 M 7.45 4.04 0.00 1.80 1.65 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 105 C 8.29 4.33 0.00 3.02 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.33 4.66 0.00 1.76 1.73 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 2.22 2.17 0.00 107 Y 8.31 5.38 0.00 2.80 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 0.00 108 A 9.11 4.38 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 0.00 109 D 8.82 4.44 0.00 2.73 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 0.00 110 E 8.11 4.29 0.00 2.01 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 0.00 2.33 2.27 0.00 111 T 8.35 4.68 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 1.13 0.00 0.00 112 A 8.91 5.19 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 0.00 113 T 8.97 4.73 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 1.33 0.00 0.00 114 I 8.61 3.24 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 1.40 0.77 0.99 0.00 0.00 115 V 7.75 3.59 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 1.12 0.00 0.00 0.98 0.00 0.00 116 E 8.13 3.97 0.00 2.18 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 2.36 2.36 0.00 117 F 8.43 4.12 0.00 3.09 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 0.00 118 L 8.10 3.98 0.00 1.94 1.74 0.99 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.43 4.33 0.00 2.97 2.85 0.00 0.00 6.71 8.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 R 7.78 3.67 0.00 1.83 1.61 0.00 2.91 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.87 0.00 121 W 7.55 4.41 0.00 3.15 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 0.00 122 I 8.16 3.77 1.96 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 1.56 1.11 0.93 0.00 0.00 123 T 7.90 3.89 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 1.18 0.00 0.00 124 F 8.21 4.05 0.00 3.12 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.37 4.01 0.00 3.23 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 0.00 126 Q 8.03 3.95 0.00 2.24 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 127 S 7.48 4.02 0.00 3.86 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 0.00 128 I 7.34 3.69 1.62 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.29 0.78 0.00 0.00 129 I 7.79 3.67 1.82 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 1.49 1.02 0.88 0.00 0.00 130 S 7.70 4.18 0.00 3.90 3.89 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 0.00 131 T 7.43 4.23 4.19 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 1.23 0.00 0.00 *132 L 7.36 4.10 0.00 1.43 1.49 0.89 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.