#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n9c s ASP 23 N 0.00 5.43 0.16 4.52 1.11 -1.26 -4.82 116.67 121.81 1n9c s ASP 23 Ca 0.00 0.44 -0.19 0.00 0.18 0.00 0.00 52.55 52.98 1n9c s ASP 23 Cb 0.00 -2.53 0.07 0.00 1.07 0.00 0.00 42.92 41.53 1n9c s ASP 23 CO 0.00 -2.23 1.65 0.00 1.18 0.00 0.00 175.17 175.77 1n9c h ALA 24 N 14.30 0.11 -0.75 5.23 0.00 -1.92 0.26 119.26 136.48 1n9c h ALA 24 Ca -0.27 0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.77 1n9c h ALA 24 Cb 1.16 0.38 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 1n9c h ALA 24 CO 1.19 -0.54 0.50 1.05 0.00 0.00 0.00 179.25 181.46 1n9c h GLU 25 N -0.10 0.99 -0.60 0.00 4.11 -1.91 -1.89 114.58 115.19 1n9c h GLU 25 Ca 0.17 -0.06 0.04 0.00 0.07 0.00 0.00 59.36 59.58 1n9c h GLU 25 Cb 0.36 -0.22 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1n9c h GLU 25 CO -0.40 0.65 0.34 0.00 0.07 0.00 0.00 179.01 179.68 1n9c h ALA 26 N 1.28 0.78 -0.09 1.06 0.00 -0.97 0.39 119.26 121.71 1n9c h ALA 26 Ca 0.28 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.21 1n9c h ALA 26 Cb -0.11 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.48 1n9c h ALA 26 CO -0.06 0.05 -0.52 0.28 0.00 0.00 0.00 179.25 179.00 1n9c h VAL 27 N 0.66 0.00 -0.52 0.00 2.07 -0.74 -1.72 116.25 116.00 1n9c h VAL 27 Ca 0.25 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.71 1n9c h VAL 27 Cb 0.09 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.84 1n9c h VAL 27 CO -0.14 0.00 0.08 0.58 0.02 0.00 0.00 177.57 178.12 1n9c h VAL 28 N -0.58 1.25 0.00 2.57 2.07 -0.14 0.45 116.25 121.87 1n9c h VAL 28 Ca 0.02 -0.95 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1n9c h VAL 28 Cb 0.66 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1n9c h VAL 28 CO -0.40 0.34 0.00 0.00 0.02 0.00 0.00 177.57 177.53 1n9c n GLN 29 N -4.38 0.02 0.00 1.57 1.13 0.11 -1.33 117.38 114.50 1n9c n GLN 29 Ca 0.02 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.08 1n9c n GLN 29 Cb 0.26 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 29.16 1n9c n GLN 29 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 1n9c n GLN 30 N -0.96 5.59 -0.04 -1.09 7.27 0.07 -4.84 117.38 123.38 1n9c n GLN 30 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1n9c n GLN 30 Cb 0.00 -0.53 -0.11 0.00 2.41 0.00 0.00 30.24 32.01 1n9c n GLN 30 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 1n9c n LYS 31 N -0.10 1.15 -0.01 3.69 4.01 0.14 -4.75 118.16 122.29 1n9c n LYS 31 Ca 0.00 -0.07 -0.01 0.00 -0.51 0.00 0.00 58.31 57.72 1n9c n LYS 31 Cb 0.00 -1.35 -0.01 0.00 -0.51 0.00 0.00 35.03 33.17 1n9c n LYS 31 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1n9c h ILE 33 N -0.01 0.46 -0.81 0.00 3.07 -1.50 0.58 117.51 119.30 1n9c h ILE 33 Ca -0.03 -0.00 0.28 0.00 1.55 0.00 0.00 64.86 66.65 1n9c h ILE 33 Cb 1.05 0.46 -0.15 0.00 -0.27 0.00 0.00 36.82 37.91 1n9c h ILE 33 CO -0.01 0.00 0.21 -0.24 -1.05 0.00 0.00 178.15 177.06 1n9c n SER 34 N -4.22 0.08 -0.03 2.16 2.88 -1.26 -0.33 113.62 112.90 1n9c n SER 34 Ca 0.23 1.37 -0.05 0.00 -1.33 0.00 0.00 58.87 59.08 1n9c n SER 34 Cb 1.13 -0.57 -0.02 0.00 -0.75 0.00 0.00 64.21 64.00 1n9c n SER 34 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n9c h HIS 36 N -0.10 0.00 0.00 0.00 3.86 -1.00 0.28 115.15 118.19 1n9c h HIS 36 Ca -0.14 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 1n9c h HIS 36 Cb 1.16 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.63 1n9c h HIS 36 CO -0.01 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.19 1n9c n GLY 37 N -0.09 -0.78 0.41 2.45 0.00 0.55 -0.55 105.19 107.18 1n9c n GLY 37 Ca 0.01 -1.54 -0.11 0.00 0.00 0.00 0.00 46.02 44.38 1n9c n GLY 37 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1n9c h GLY 38 N 0.00 -0.95 1.33 -0.02 0.00 -1.95 0.22 103.07 101.70 1n9c h GLY 38 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 47.33 48.13 1n9c h GLY 38 CO 0.00 -0.03 0.00 1.22 0.00 0.00 0.00 176.54 177.73 1n9c n ASP 39 N -5.18 0.00 -1.20 0.19 8.00 -1.26 -4.87 116.55 112.23 1n9c n ASP 39 Ca 0.01 -0.46 -0.12 0.00 0.71 0.00 0.00 54.79 54.93 1n9c n ASP 39 Cb 0.27 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.17 1n9c n ASP 39 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1n9c n LEU 40 N -1.17 -1.27 0.00 0.64 4.77 0.78 -4.60 117.00 116.16 1n9c n LEU 40 Ca 0.17 0.13 0.13 0.00 -0.03 0.00 0.00 56.01 56.41 1n9c n LEU 40 Cb 0.17 -1.92 0.63 0.00 -2.33 0.00 0.00 43.42 39.98 1n9c n LEU 40 CO 0.20 -0.36 0.94 0.35 -1.33 0.00 0.00 177.39 177.19 1n9c n THR 41 N -3.41 0.14 -0.14 -5.08 -2.24 -1.24 -0.75 114.28 101.57 1n9c n THR 41 Ca -0.14 0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1n9c n THR 41 Cb 0.52 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 68.17 1n9c n THR 41 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1n9c n GLY 42 N 1.13 0.62 0.00 3.38 0.00 0.29 -4.00 105.19 106.61 1n9c n GLY 42 Ca 0.10 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1n9c n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n9c n ALA 43 N -0.06 0.00 1.21 4.61 0.00 -0.42 -4.58 120.51 121.28 1n9c n ALA 43 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 1n9c n ALA 43 Cb 0.01 0.00 0.38 0.00 0.00 0.00 0.00 19.45 19.85 1n9c n ALA 43 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1n9c n SER 44 N -0.50 1.94 -3.98 0.00 7.64 0.96 -4.91 113.62 114.78 1n9c n SER 44 Ca 0.00 -1.69 -0.09 0.00 1.01 0.00 0.00 58.87 58.10 1n9c n SER 44 Cb 0.00 -0.07 -0.08 0.00 -1.01 0.00 0.00 64.21 63.05 1n9c n SER 44 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n9c s ALA 45 N -1.87 0.15 0.91 -0.43 0.00 -1.16 -4.90 121.76 114.46 1n9c s ALA 45 Ca 0.35 -0.94 -0.11 0.00 0.00 0.00 0.00 51.96 51.26 1n9c s ALA 45 Cb 0.20 0.61 0.14 0.00 0.00 0.00 0.00 23.12 24.06 1n9c s ALA 45 CO 0.30 -0.52 1.11 -1.25 0.00 0.00 0.00 175.76 175.40 1n9c s PRO 46 N -3.93 1.09 -0.15 0.00 0.04 -1.26 -4.19 135.00 126.60 1n9c s PRO 46 Ca 0.12 1.21 -0.29 0.00 0.04 0.00 0.00 61.00 62.08 1n9c s PRO 46 Cb 0.05 -1.76 -0.05 0.00 0.04 0.00 0.00 34.50 32.78 1n9c s PRO 46 CO -0.06 -2.47 1.88 0.00 0.04 0.00 0.00 177.00 176.39 1n9c s ALA 47 N -2.74 3.21 -2.20 8.56 0.00 -1.26 -4.27 121.76 123.06 1n9c s ALA 47 Ca 0.65 0.79 0.18 0.00 0.00 0.00 0.00 51.96 53.58 1n9c s ALA 47 Cb -0.21 -3.91 0.16 0.00 0.00 0.00 0.00 23.12 19.16 1n9c s ALA 47 CO 0.58 -2.07 1.08 0.44 0.00 0.00 0.00 175.76 175.80 1n9c n ILE 48 N 6.52 0.05 -0.30 0.00 -6.64 0.05 -4.41 119.36 114.63 1n9c n ILE 48 Ca 0.22 -0.53 0.19 0.00 -1.77 0.00 0.00 62.75 60.87 1n9c n ILE 48 Cb 0.44 1.33 0.46 0.00 -1.44 0.00 0.00 39.64 40.43 1n9c n ILE 48 CO 0.00 0.00 0.00 -2.24 -1.77 0.00 0.00 176.55 172.54 1n9c h ASP 49 N 3.50 0.51 -0.20 7.28 2.03 -1.19 0.14 116.42 128.50 1n9c h ASP 49 Ca 0.00 0.07 0.00 0.00 -0.73 0.00 0.00 57.03 56.37 1n9c h ASP 49 Cb 0.75 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.23 1n9c h ASP 49 CO 0.00 0.16 0.00 0.29 -1.03 0.00 0.00 179.24 178.66 1n9c n LYS 50 N -4.61 2.01 -0.26 4.15 4.01 -1.26 -4.51 118.16 117.68 1n9c n LYS 50 Ca 0.23 -1.50 0.08 0.00 -0.51 0.00 0.00 58.31 56.60 1n9c n LYS 50 Cb 0.74 -1.45 0.32 0.00 -0.51 0.00 0.00 35.03 34.13 1n9c n LYS 50 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1n9c h ALA 51 N 4.29 1.68 -0.05 7.82 0.00 -0.95 0.36 119.26 132.40 1n9c h ALA 51 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1n9c h ALA 51 Cb 0.68 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1n9c h ALA 51 CO 0.00 0.15 0.04 0.78 0.00 0.00 0.00 179.25 180.22 1n9c h GLY 52 N 0.83 0.00 0.70 0.00 0.00 -1.64 0.35 103.07 103.31 1n9c h GLY 52 Ca 0.39 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.64 1n9c h GLY 52 CO -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 176.54 176.11 1n9c h ALA 53 N 1.97 0.16 -0.08 3.60 0.00 -0.63 -3.37 119.26 120.91 1n9c h ALA 53 Ca 0.02 -0.41 -0.22 0.00 0.00 0.00 0.00 54.91 54.30 1n9c h ALA 53 Cb 0.10 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1n9c h ALA 53 CO -0.00 0.17 -0.84 -0.91 0.00 0.00 0.00 179.25 177.67 1n9c h ASN 54 N -0.11 0.75 -5.16 0.00 2.35 -0.39 -3.47 115.58 109.56 1n9c h ASN 54 Ca -0.01 -0.53 -0.14 0.00 -0.55 0.00 0.00 56.30 55.07 1n9c h ASN 54 Cb 0.89 -0.22 -0.15 0.00 0.05 0.00 0.00 38.32 38.89 1n9c h ASN 54 CO 0.06 1.31 -0.68 -0.31 -1.65 0.00 0.00 177.43 176.16 1n9c s TYR 55 N -3.56 0.61 0.46 1.19 2.02 0.12 -5.08 117.35 113.11 1n9c s TYR 55 Ca -0.08 -1.06 0.02 0.00 -0.37 0.00 0.00 57.07 55.58 1n9c s TYR 55 Cb 0.09 -0.42 0.01 0.00 -0.40 0.00 0.00 41.96 41.24 1n9c s TYR 55 CO 0.88 -0.36 0.67 -1.12 -1.57 0.00 0.00 175.55 174.05 1n9c s SER 56 N -2.95 5.67 0.26 2.29 0.01 -1.26 -3.97 113.70 113.74 1n9c s SER 56 Ca 0.10 0.07 -0.01 0.00 1.31 0.00 0.00 55.95 57.41 1n9c s SER 56 Cb 0.08 -1.22 0.57 0.00 0.21 0.00 0.00 66.02 65.66 1n9c s SER 56 CO -0.08 -0.80 1.69 1.05 0.41 0.00 0.00 173.24 175.51 1n9c h GLU 57 N 0.39 0.31 -0.06 12.44 9.09 -1.91 -1.50 114.58 133.34 1n9c h GLU 57 Ca -0.44 -0.02 0.04 0.00 0.05 0.00 0.00 59.36 58.99 1n9c h GLU 57 Cb 1.27 -0.07 -0.06 0.00 -1.65 0.00 0.00 28.75 28.24 1n9c h GLU 57 CO 0.54 0.21 -0.35 1.05 0.05 0.00 0.00 179.01 180.51 1n9c h GLU 58 N 0.32 -0.46 -0.07 1.06 4.11 -1.94 0.21 114.58 117.81 1n9c h GLU 58 Ca 0.48 0.03 0.03 0.00 0.07 0.00 0.00 59.36 59.97 1n9c h GLU 58 Cb 0.86 0.10 -0.03 0.00 0.50 0.00 0.00 28.75 30.18 1n9c h GLU 58 CO -0.53 -0.30 -0.12 0.93 0.07 0.00 0.00 179.01 179.06 1n9c h GLU 59 N -0.47 -0.16 0.04 1.06 4.39 -1.73 -0.39 114.58 117.32 1n9c h GLU 59 Ca 0.07 0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 1n9c h GLU 59 Cb 0.59 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 1n9c h GLU 59 CO -0.32 -0.11 -0.02 0.82 -1.16 0.00 0.00 179.01 178.22 1n9c h ILE 60 N -0.17 1.01 -0.17 3.13 2.04 -0.97 0.10 117.51 122.49 1n9c h ILE 60 Ca 0.07 -0.14 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1n9c h ILE 60 Cb 0.27 1.10 -0.07 0.00 -0.74 0.00 0.00 36.82 37.38 1n9c h ILE 60 CO -0.18 0.04 -0.34 0.25 0.00 0.00 0.00 178.15 177.92 1n9c h LEU 61 N -0.11 -1.06 -0.42 1.44 5.85 -0.43 0.64 115.31 121.21 1n9c h LEU 61 Ca -0.01 0.16 0.02 0.00 0.84 0.00 0.00 57.88 58.89 1n9c h LEU 61 Cb 0.10 0.46 -0.03 0.00 0.37 0.00 0.00 40.66 41.56 1n9c h LEU 61 CO 0.01 -0.37 0.25 -0.78 -0.34 0.00 0.00 178.44 177.22 1n9c h ASP 62 N -0.39 0.41 -0.93 1.25 3.58 -0.75 -1.02 116.42 118.57 1n9c h ASP 62 Ca 0.10 0.00 0.04 0.00 0.42 0.00 0.00 57.03 57.59 1n9c h ASP 62 Cb 0.56 -0.09 -0.06 0.00 1.72 0.00 0.00 39.33 41.47 1n9c h ASP 62 CO -0.39 0.30 0.60 0.40 -2.88 0.00 0.00 179.24 177.27 1n9c h ILE 63 N 0.51 1.15 0.06 2.25 2.04 -0.06 0.31 117.51 123.77 1n9c h ILE 63 Ca 0.16 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1n9c h ILE 63 Cb -0.00 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 35.96 1n9c h ILE 63 CO -0.07 0.21 -0.03 0.40 0.00 0.00 0.00 178.15 178.66 1n9c h ILE 64 N 1.16 1.06 -0.53 -0.67 2.04 -0.28 0.37 117.51 120.66 1n9c h ILE 64 Ca 0.37 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.77 1n9c h ILE 64 Cb 0.02 1.32 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1n9c h ILE 64 CO -0.13 0.10 0.09 -0.07 0.00 0.00 0.00 178.15 178.15 1n9c h LEU 65 N -0.26 0.79 0.05 1.44 3.38 -0.47 0.47 115.31 120.70 1n9c h LEU 65 Ca -0.01 -0.16 -0.33 0.00 0.09 0.00 0.00 57.88 57.48 1n9c h LEU 65 Cb 0.23 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1n9c h LEU 65 CO 0.01 0.80 -1.82 0.59 0.09 0.00 0.00 178.44 178.11 1n9c n ASN 66 N -4.25 1.99 -0.13 -0.43 3.02 0.10 -1.74 115.26 113.82 1n9c n ASN 66 Ca 0.04 0.28 0.00 0.00 -0.03 0.00 0.00 54.58 54.86 1n9c n ASN 66 Cb 0.25 -0.86 0.00 0.00 -0.61 0.00 0.00 39.78 38.56 1n9c n ASN 66 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1n9c n GLY 67 N 1.71 0.33 3.56 7.41 0.00 0.13 -4.10 105.19 114.22 1n9c n GLY 67 Ca -0.36 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 1n9c n GLY 67 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1n9c n GLN 68 N 2.52 0.19 -0.14 1.61 -0.06 -1.22 -4.84 117.38 115.43 1n9c n GLN 68 Ca 0.00 0.12 -0.04 0.00 -2.00 0.00 0.00 57.00 55.08 1n9c n GLN 68 Cb 0.00 -2.11 -0.03 0.00 -4.06 0.00 0.00 30.24 24.03 1n9c n GLN 68 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1n9c n GLY 69 N 1.14 -1.79 0.44 1.69 0.00 -1.26 -0.15 105.19 105.26 1n9c n GLY 69 Ca 0.11 0.58 0.12 0.00 0.00 0.00 0.00 46.02 46.83 1n9c n GLY 69 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n9c n GLY 70 N -1.09 -0.02 3.67 -0.02 0.00 -1.26 -4.89 105.19 101.58 1n9c n GLY 70 Ca 0.01 -0.38 -0.35 0.00 0.00 0.00 0.00 46.02 45.30 1n9c n GLY 70 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1n9c s MET 71 N -1.89 3.82 0.29 1.61 0.00 0.79 -5.08 119.30 118.84 1n9c s MET 71 Ca 0.35 -0.32 -0.30 0.00 0.00 0.00 0.00 55.69 55.42 1n9c s MET 71 Cb 0.18 -3.17 -0.11 0.00 0.00 0.00 0.00 34.83 31.73 1n9c s MET 71 CO 0.29 0.38 1.48 -1.25 0.00 0.00 0.00 175.02 175.92 1n9c s PRO 72 N 0.06 4.21 0.04 4.11 0.04 -1.26 -3.97 135.00 138.23 1n9c s PRO 72 Ca 0.06 2.41 -0.02 0.00 0.04 0.00 0.00 61.00 63.49 1n9c s PRO 72 Cb -0.12 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 1n9c s PRO 72 CO 0.01 -0.47 0.22 0.20 0.04 0.00 0.00 177.00 176.99 1n9c s GLY 73 N 0.23 2.19 -0.54 0.56 0.00 -1.26 -4.28 107.32 104.22 1n9c s GLY 73 Ca 0.58 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 44.52 1n9c s GLY 73 CO 0.49 -0.72 0.00 0.61 0.00 0.00 0.00 173.10 173.47 1n9c n GLY 74 N 0.52 0.77 0.35 0.20 0.00 0.16 -4.83 105.19 102.36 1n9c n GLY 74 Ca -0.07 -0.77 0.12 0.00 0.00 0.00 0.00 46.02 45.31 1n9c n GLY 74 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1n9c h ILE 75 N 0.00 0.89 -3.96 -0.61 1.08 -1.74 -3.40 117.51 109.76 1n9c h ILE 75 Ca -0.10 -0.13 -0.28 0.00 -0.39 0.00 0.00 64.86 63.95 1n9c h ILE 75 Cb 0.35 0.46 -0.21 0.00 -3.07 0.00 0.00 36.82 34.35 1n9c h ILE 75 CO 0.15 0.07 -0.74 0.00 -0.69 0.00 0.00 178.15 176.95 1n9c s ALA 76 N -5.38 0.60 0.05 1.87 0.00 -1.26 -5.03 121.76 112.62 1n9c s ALA 76 Ca -0.08 -0.77 -0.05 0.00 0.00 0.00 0.00 51.96 51.06 1n9c s ALA 76 Cb 0.20 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.33 1n9c s ALA 76 CO 0.75 -0.01 0.08 0.15 0.00 0.00 0.00 175.76 176.73 1n9c s LYS 77 N -1.58 0.65 3.83 0.00 1.02 -1.26 -4.40 119.74 118.01 1n9c s LYS 77 Ca -0.10 -0.94 0.00 0.00 0.02 0.00 0.00 55.97 54.96 1n9c s LYS 77 Cb -0.10 0.25 0.00 0.00 -0.52 0.00 0.00 37.83 37.46 1n9c s LYS 77 CO 0.00 -0.16 0.00 0.41 -0.92 0.00 0.00 175.35 174.68 1n9c n GLY 78 N 0.39 2.53 0.41 -3.33 0.00 -1.26 -1.86 105.19 102.07 1n9c n GLY 78 Ca -0.17 -0.25 0.34 0.00 0.00 0.00 0.00 46.02 45.94 1n9c n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n9c h ALA 79 N -0.58 2.48 0.88 4.61 0.00 -1.99 0.18 119.26 124.84 1n9c h ALA 79 Ca 0.00 0.17 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1n9c h ALA 79 Cb 0.00 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1n9c h ALA 79 CO 0.00 -1.15 -0.46 1.49 0.00 0.00 0.00 179.25 179.13 1n9c h GLU 80 N 0.10 -1.19 -0.40 0.00 4.81 -1.72 0.14 114.58 116.32 1n9c h GLU 80 Ca 0.82 0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 60.02 1n9c h GLU 80 Cb 2.37 0.27 -0.01 0.00 0.63 0.00 0.00 28.75 32.00 1n9c h GLU 80 CO -0.54 -0.79 -0.21 0.00 -0.73 0.00 0.00 179.01 176.74 1n9c h ALA 81 N -1.33 0.88 -0.05 2.92 0.00 -0.79 -1.03 119.26 119.87 1n9c h ALA 81 Ca -0.12 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1n9c h ALA 81 Cb 0.96 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1n9c h ALA 81 CO 0.17 0.63 0.01 0.93 0.00 0.00 0.00 179.25 180.99 1n9c h GLU 82 N 0.69 0.03 -0.32 0.00 5.08 -0.88 0.18 114.58 119.36 1n9c h GLU 82 Ca 0.10 -0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.52 1n9c h GLU 82 Cb 0.72 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.90 1n9c h GLU 82 CO 0.06 0.02 -0.07 0.00 -1.00 0.00 0.00 179.01 178.01 1n9c h ALA 83 N 1.03 0.22 0.14 3.43 0.00 -0.51 -1.27 119.26 122.30 1n9c h ALA 83 Ca 0.02 0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.06 1n9c h ALA 83 Cb 0.01 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1n9c h ALA 83 CO -0.02 -0.46 -0.49 0.28 0.00 0.00 0.00 179.25 178.56 1n9c h VAL 84 N 0.01 0.00 -0.50 0.00 2.07 -0.72 -1.28 116.25 115.83 1n9c h VAL 84 Ca 0.16 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.76 1n9c h VAL 84 Cb 0.24 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.90 1n9c h VAL 84 CO -0.33 0.00 -0.39 0.00 0.02 0.00 0.00 177.57 176.88 1n9c h ALA 85 N -0.64 -0.25 -0.05 1.67 0.00 0.02 0.40 119.26 120.41 1n9c h ALA 85 Ca -0.01 0.11 0.02 0.00 0.00 0.00 0.00 54.91 55.03 1n9c h ALA 85 Cb 0.72 0.85 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1n9c h ALA 85 CO -0.25 -0.78 -0.10 0.00 0.00 0.00 0.00 179.25 178.12 1n9c h ALA 86 N 0.69 -0.07 0.59 0.00 0.00 -1.18 0.16 119.26 119.44 1n9c h ALA 86 Ca 0.18 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1n9c h ALA 86 Cb 0.56 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.55 1n9c h ALA 86 CO -0.63 -0.58 -0.28 2.35 0.00 0.00 0.00 179.25 180.11 1n9c h TRP 87 N -0.15 -0.73 -0.75 0.00 7.01 0.00 0.59 115.95 121.92 1n9c h TRP 87 Ca 0.05 -0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.11 1n9c h TRP 87 Cb 0.23 0.24 -0.05 0.00 -2.10 0.00 0.00 29.16 27.48 1n9c h TRP 87 CO -0.19 -0.40 0.49 1.25 -2.79 0.00 0.00 178.44 176.80 1n9c h LEU 88 N -0.97 0.68 0.66 0.65 6.46 -0.27 0.32 115.31 122.84 1n9c h LEU 88 Ca -0.08 0.01 -0.03 0.00 -0.12 0.00 0.00 57.88 57.66 1n9c h LEU 88 Cb 0.66 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 40.45 1n9c h LEU 88 CO 0.13 0.43 -0.41 0.00 -0.62 0.00 0.00 178.44 177.98 1n9c h ALA 89 N 1.60 -1.03 0.00 1.25 0.00 -0.85 -2.92 119.26 117.30 1n9c h ALA 89 Ca 0.33 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1n9c h ALA 89 Cb 0.30 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1n9c h ALA 89 CO -0.11 -1.10 0.00 -0.85 0.00 0.00 0.00 179.25 177.19 1n9c n GLU 90 N -5.54 0.13 0.26 0.00 -0.00 0.19 -2.89 120.64 112.78 1n9c n GLU 90 Ca -0.13 0.33 0.13 0.00 -0.00 0.00 0.00 57.16 57.49 1n9c n GLU 90 Cb 0.43 -1.72 0.69 0.00 -0.00 0.00 0.00 31.44 30.83 1n9c n GLU 90 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 1n9c h LYS 91 N 0.00 0.00 0.00 3.44 3.11 -0.44 -3.51 116.57 119.17 1n9c h LYS 91 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1n9c h LYS 91 Cb 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.59 1n9c h LYS 91 CO 0.00 0.13 0.00 0.36 -2.81 0.00 0.00 179.45 177.13