NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0613 8.0544 120.3983 63.1223 32.7446 173.1734 3 D 4.4461 8.2009 120.2466 51.3120 43.8422 173.4521 4 P 3.7436 0.0000 0.0000 65.0526 34.3266 174.7450 5 V 3.9409 7.4151 120.5175 62.8132 32.8344 175.0647 6 G 4.3997 9.3122 119.6139 46.6809 0.0000 175.6988 7 F 4.2732 8.3626 122.4693 60.8470 39.2593 177.0881 8 A 3.8535 8.0788 120.1097 55.1040 18.0966 179.5268 9 E 3.9017 8.0806 116.5238 59.4292 29.2749 179.2357 10 A 3.9193 8.5205 121.3587 54.6806 18.4307 179.5975 11 W 3.8161 8.1214 126.8818 60.6054 30.6145 178.5508 12 K 4.2844 8.3157 117.1539 59.3867 31.5099 178.9704 13 A 4.0357 8.0667 120.4653 54.3403 18.2946 178.6997 14 Q 4.1088 6.9361 114.5014 55.4156 30.7599 176.0123 15 F 4.8725 7.5311 118.7765 53.9661 39.2686 173.2007 16 P 4.2774 0.0000 0.0000 65.5079 31.6890 177.5768 17 D 4.6163 8.0332 115.7604 56.2297 41.4718 177.2443 18 S 4.5964 7.4766 114.5302 57.8248 63.6499 173.8074 19 E 4.2992 8.7416 124.4743 54.9652 30.0571 175.1098 20 P 2.9700 0.0000 0.0000 61.5003 31.6107 174.4038 21 P 4.0333 0.0000 0.0000 62.9519 31.7260 175.8301 22 R 4.3125 8.1710 121.4691 54.3938 31.8422 176.0391 *24 E 3.9106 8.4783 120.8074 56.3712 29.4390 175.3158 25 L 4.5484 8.2400 124.1851 53.2243 42.1919 176.8087 26 R 4.5293 8.7594 122.0257 55.3726 31.9179 176.0496 27 S 4.5057 7.3994 112.0522 56.2156 66.5113 175.8132 28 V 3.6090 8.2503 120.4472 66.3230 31.1167 177.5791 29 G 3.8226 8.2116 104.7531 48.3300 0.0000 174.9403 30 D 4.4189 7.7086 120.2879 57.1139 40.7103 179.0406 31 I 3.6943 7.5074 119.9853 64.4223 37.0406 178.3877 32 E 3.9487 8.4668 119.7962 59.4436 29.3076 179.2446 33 Q 3.9485 8.5585 120.0932 59.0250 29.0042 178.1596 34 E 3.9448 8.1832 119.7375 59.2862 29.5291 178.8088 35 L 3.9443 8.1446 120.6429 58.3677 41.9406 178.9152 36 E 3.9502 8.4539 118.6023 59.5199 29.2929 179.4122 37 R 3.9298 8.1196 118.3685 59.0429 30.0838 178.4132 38 A 4.0773 8.2130 121.1685 54.9171 18.2024 179.7611 39 K 3.9986 8.3847 116.8909 59.2888 32.1675 179.3645 40 A 4.0793 7.8545 121.2501 54.7645 18.4957 179.4847 41 S 4.1671 7.9623 111.6053 61.0916 62.3395 176.5169 42 I 3.7562 7.7275 122.9715 64.2846 36.9194 178.2874 43 R 3.8754 7.7322 119.3514 59.1401 29.9245 178.5935 44 R 3.8347 7.8765 118.1118 59.4885 30.0979 178.5443 45 L 4.0003 8.0063 118.7736 57.9151 41.6229 179.3948 46 E 3.9473 8.4745 118.7163 59.2090 29.3460 179.1892 47 Q 3.9399 7.9431 119.6564 59.4084 29.1791 178.3744 48 E 4.0110 8.1437 119.4457 59.1846 29.4427 179.4236 49 V 3.6124 8.0146 118.7116 66.2742 31.7282 177.9543 50 N 4.4712 8.2719 116.0685 56.1554 38.3194 177.6251 51 Q 4.0873 7.9958 119.6783 59.0640 28.6476 178.4693 52 E 4.0869 8.5433 118.9212 59.3746 29.5268 179.3260 53 R 4.1190 7.9766 117.6539 59.0031 30.4009 178.4897 54 F 4.4849 8.2639 120.1965 61.2686 39.4046 177.4395 55 R 3.6610 7.8853 113.8805 57.7069 28.6331 178.2100 *57 I 4.0263 7.6031 121.4135 61.6268 39.3993 177.2332 58 Y 3.9928 7.7684 120.5343 60.5918 38.2001 178.1562 59 L 3.6500 8.2480 120.3139 57.7454 41.4462 179.3303 60 Q 4.1019 7.4014 116.2434 58.1494 28.4289 178.3780 61 T 3.6853 7.4615 118.8699 66.8259 68.5890 176.6423 62 L 3.8580 7.1852 120.4692 57.4660 41.2804 178.7338 63 L 4.1985 6.9240 115.6040 55.2147 41.4469 178.3535 64 A 4.1991 7.9097 122.2526 53.9569 19.0782 178.6895 65 K 4.3311 7.6153 114.7585 56.0839 34.1073 175.6343 66 E 4.0893 7.6025 123.2297 56.8588 29.4512 175.9748 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 2 V 8.05 4.06 2.16 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 1.09 0.00 0.00 0.98 0.00 0.00 3 D 8.20 4.45 0.00 2.82 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 3.74 0.00 2.31 2.13 0.00 3.74 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 2.08 2.01 0.00 5 V 7.42 3.94 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 0.82 0.00 0.00 0.96 0.00 0.00 6 G 9.31 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 0.00 0.00 0.00 0.00 7 F 8.36 4.27 0.00 3.08 3.36 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 8 A 8.08 3.85 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 9 E 8.08 3.90 0.00 2.16 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 10 A 8.52 3.92 1.37 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 0.00 0.00 0.00 11 W 8.12 3.82 0.00 3.12 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 12 K 8.32 4.28 0.00 1.83 1.90 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.74 7.81 13 A 8.07 4.04 1.27 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 0.00 0.00 14 Q 6.94 4.11 0.00 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.07 0.00 0.00 0.00 0.00 0.00 1.96 2.09 0.00 15 F 7.53 4.87 0.00 2.41 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 4.28 0.00 2.05 2.14 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 17 D 8.03 4.62 0.00 2.71 2.76 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 18 S 7.48 4.60 0.00 3.96 4.11 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 19 E 8.74 4.30 0.00 1.91 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 2.33 2.41 0.00 20 P 0.00 2.97 0.00 1.78 1.50 0.00 3.72 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.88 0.00 21 P 0.00 4.03 0.00 1.96 1.92 0.00 2.56 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.47 0.00 22 R 8.17 4.31 0.00 1.74 1.80 0.00 3.21 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 *24 E 8.48 3.91 0.00 1.96 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 2.19 2.27 0.00 25 L 8.24 4.55 0.00 1.54 1.56 0.79 0.86 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 26 R 8.76 4.53 0.00 1.84 1.90 0.00 3.19 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.50 0.00 27 S 7.40 4.51 0.00 3.98 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 28 V 8.25 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 1.12 0.00 0.00 0.92 0.00 0.00 29 G 8.21 3.82 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 0.00 0.00 0.00 30 D 7.71 4.42 0.00 3.01 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 31 I 7.51 3.69 1.99 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 1.75 0.95 0.89 0.00 0.00 32 E 8.47 3.95 0.00 2.10 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 2.32 2.53 0.00 33 Q 8.56 3.95 0.00 2.12 2.15 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 2.35 2.44 0.00 34 E 8.18 3.94 0.00 2.17 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 2.49 2.42 0.00 35 L 8.14 3.94 0.00 1.93 1.88 0.94 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.45 3.95 0.00 2.26 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 2.47 0.00 37 R 8.12 3.93 0.00 2.01 2.12 0.00 3.09 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 38 A 8.21 4.08 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 39 K 8.38 4.00 0.00 1.82 1.88 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.75 7.81 40 A 7.85 4.08 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 S 7.96 4.17 0.00 3.91 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 42 I 7.73 3.76 2.02 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 1.42 0.73 0.92 0.00 0.00 43 R 7.73 3.88 0.00 1.88 1.92 0.00 3.09 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 44 R 7.88 3.83 0.00 2.06 2.12 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 45 L 8.01 4.00 0.00 1.73 1.69 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.47 3.95 0.00 2.02 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 2.33 2.55 0.00 47 Q 7.94 3.94 0.00 2.35 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 48 E 8.14 4.01 0.00 2.25 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 2.34 2.45 0.00 49 V 8.01 3.61 2.27 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 1.04 0.00 0.00 1.00 0.00 0.00 50 N 8.27 4.47 0.00 3.02 2.85 0.00 0.00 7.08 7.26 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 51 Q 8.00 4.09 0.00 2.31 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 52 E 8.54 4.09 0.00 1.98 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 2.53 2.51 0.00 53 R 7.98 4.12 0.00 1.92 2.06 0.00 3.29 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 54 F 8.26 4.48 0.00 3.26 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 55 R 7.89 3.66 0.00 2.17 1.97 0.00 3.39 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.94 0.00 *57 I 7.60 4.03 1.83 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 1.62 1.18 0.91 0.00 0.00 58 Y 7.77 3.99 0.00 2.57 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 59 L 8.25 3.65 0.00 1.62 1.62 0.93 0.82 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 60 Q 7.40 4.10 0.00 2.39 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 61 T 7.46 3.69 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 62 L 7.19 3.86 0.00 1.56 1.56 0.63 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 63 L 6.92 4.20 0.00 1.63 1.64 0.87 0.71 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 64 A 7.91 4.20 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 65 K 7.62 4.33 0.00 1.66 1.77 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.30 1.42 7.81 66 E 7.60 4.09 0.00 2.04 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 2.28 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.