#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 5.12 0.22 4.52 1.11 -1.26 -4.70 116.67 121.68 1n9c s ASP 23 Ca 0.00 0.19 -0.08 0.00 0.18 0.00 0.00 52.55 52.84 1n9c s ASP 23 Cb 0.00 -2.53 0.26 0.00 1.07 0.00 0.00 42.92 41.72 1n9c s ASP 23 CO 0.00 -2.54 1.83 0.00 1.18 0.00 0.00 175.17 175.63 1n9c h ALA 24 N 14.60 0.98 -0.55 5.23 0.00 -1.89 0.15 119.26 137.78 1n9c h ALA 24 Ca -0.18 0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.79 1n9c h ALA 24 Cb 1.14 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.70 1n9c h ALA 24 CO 1.21 0.14 0.28 1.05 0.00 0.00 0.00 179.25 181.93 1n9c h GLU 25 N 0.80 0.53 -0.63 0.00 4.11 -1.93 0.13 114.58 117.59 1n9c h GLU 25 Ca 0.32 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.72 1n9c h GLU 25 Cb 0.16 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.26 1n9c h GLU 25 CO -0.17 0.35 0.40 0.00 0.07 0.00 0.00 179.01 179.66 1n9c h ALA 26 N 1.30 0.80 0.07 1.06 0.00 -1.13 0.29 119.26 121.65 1n9c h ALA 26 Ca 0.25 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1n9c h ALA 26 Cb 0.16 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 1n9c h ALA 26 CO -0.17 0.25 -0.23 0.28 0.00 0.00 0.00 179.25 179.39 1n9c h VAL 27 N 0.86 0.00 -0.65 0.00 2.07 -0.81 -2.62 116.25 115.09 1n9c h VAL 27 Ca 0.23 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.71 1n9c h VAL 27 Cb -0.07 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.67 1n9c h VAL 27 CO -0.05 0.00 0.27 0.58 0.02 0.00 0.00 177.57 178.39 1n9c h VAL 28 N -0.33 1.23 0.00 2.57 2.07 0.32 0.46 116.25 122.58 1n9c h VAL 28 Ca -0.01 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.79 1n9c h VAL 28 Cb 0.33 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1n9c h VAL 28 CO -0.11 0.29 0.00 0.00 0.02 0.00 0.00 177.57 177.76 1n9c n GLN 29 N -4.43 0.00 0.00 1.57 1.13 0.91 -0.68 117.38 115.89 1n9c n GLN 29 Ca 0.04 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 1n9c n GLN 29 Cb 0.16 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.01 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 -1.07 -0.04 0.03 -1.09 7.27 0.77 -4.89 117.38 118.36 1n9c n GLN 30 Ca 0.00 -0.08 0.00 0.00 0.07 0.00 0.00 57.00 56.99 1n9c n GLN 30 Cb 0.00 -0.53 0.00 0.00 2.41 0.00 0.00 30.24 32.12 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 -0.00 0.00 -0.01 3.69 4.01 0.13 -4.83 118.16 121.14 1n9c n LYS 31 Ca 0.00 0.00 -0.22 0.00 -0.51 0.00 0.00 58.31 57.58 1n9c n LYS 31 Cb 0.26 -0.37 -0.14 0.00 -0.51 0.00 0.00 35.03 34.27 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 -0.12 0.46 -1.17 0.00 3.07 -1.40 0.70 117.51 119.05 1n9c h ILE 33 Ca -0.41 0.00 0.34 0.00 1.55 0.00 0.00 64.86 66.34 1n9c h ILE 33 Cb 1.91 0.64 -0.05 0.00 -0.27 0.00 0.00 36.82 39.05 1n9c h ILE 33 CO 0.04 0.00 0.88 -1.28 -1.05 0.00 0.00 178.15 176.74 1n9c h SER 34 N 0.00 0.00 0.00 2.16 0.87 -1.80 0.15 113.55 114.93 1n9c h SER 34 Ca 0.25 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.81 1n9c h SER 34 Cb 1.20 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.16 1n9c h SER 34 CO -0.00 0.00 -0.85 0.00 -0.53 0.00 0.00 176.83 175.44 1n9c h HIS 36 N 0.00 0.00 0.00 0.00 3.86 -0.88 0.25 115.15 118.38 1n9c h HIS 36 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1n9c h HIS 36 Cb 0.85 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.32 1n9c h HIS 36 CO 0.00 0.00 0.00 0.41 0.86 0.00 0.00 177.93 179.20 1n9c n GLY 37 N 0.09 -0.84 0.39 2.45 0.00 0.53 -0.53 105.19 107.27 1n9c n GLY 37 Ca 0.02 -1.47 -0.10 0.00 0.00 0.00 0.00 46.02 44.46 1n9c n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n9c n GLY 38 N -0.14 -2.39 0.14 -0.02 0.00 -1.26 -0.24 105.19 101.28 1n9c n GLY 38 Ca 0.00 1.10 0.13 0.00 0.00 0.00 0.00 46.02 47.24 1n9c n GLY 38 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1n9c h ASP 39 N 0.00 0.00 -0.26 1.61 5.19 -1.96 -3.47 116.42 117.53 1n9c h ASP 39 Ca 0.15 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.50 1n9c h ASP 39 Cb 0.38 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.88 1n9c h ASP 39 CO -0.87 0.00 -0.07 0.18 -3.12 0.00 0.00 179.24 175.37 1n9c n LEU 40 N -2.36 -0.58 0.00 1.55 4.77 0.67 -4.60 117.00 116.44 1n9c n LEU 40 Ca 0.03 0.05 0.11 0.00 -0.03 0.00 0.00 56.01 56.17 1n9c n LEU 40 Cb 0.30 -0.85 0.51 0.00 -2.33 0.00 0.00 43.42 41.05 1n9c n LEU 40 CO 0.24 -0.11 0.87 0.35 -1.33 0.00 0.00 177.39 177.40 1n9c n THR 41 N -3.33 0.39 -0.21 -5.08 -2.24 -1.24 -0.60 114.28 101.97 1n9c n THR 41 Ca -0.03 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.84 1n9c n THR 41 Cb 0.27 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.79 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 0.84 0.39 0.00 3.38 0.00 0.31 -3.89 105.19 106.22 1n9c n GLY 42 Ca 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 1.05 4.61 0.00 -0.52 -4.61 120.51 120.98 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 0.00 0.00 0.32 0.00 0.00 0.00 0.00 19.45 19.77 1n9c n ALA 43 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1n9c n SER 44 N -0.79 2.28 -3.97 0.00 2.88 0.87 -4.91 113.62 109.99 1n9c n SER 44 Ca 0.00 -1.78 -0.09 0.00 -1.33 0.00 0.00 58.87 55.67 1n9c n SER 44 Cb 0.00 -0.09 -0.08 0.00 -0.75 0.00 0.00 64.21 63.29 1n9c n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n9c s ALA 45 N -1.82 0.12 0.99 -1.46 0.00 -1.18 -4.91 121.76 113.51 1n9c s ALA 45 Ca 0.34 -0.93 -0.12 0.00 0.00 0.00 0.00 51.96 51.26 1n9c s ALA 45 Cb 0.20 0.68 0.19 0.00 0.00 0.00 0.00 23.12 24.19 1n9c s ALA 45 CO 0.30 -0.55 1.08 -1.25 0.00 0.00 0.00 175.76 175.34 1n9c s PRO 46 N -3.94 0.47 -0.03 0.00 0.04 -1.26 -4.21 135.00 126.07 1n9c s PRO 46 Ca 0.13 0.97 -0.30 0.00 0.04 0.00 0.00 61.00 61.85 1n9c s PRO 46 Cb 0.05 -1.71 -0.07 0.00 0.04 0.00 0.00 34.50 32.82 1n9c s PRO 46 CO -0.04 -2.83 1.76 0.00 0.04 0.00 0.00 177.00 175.93 1n9c s ALA 47 N -2.72 3.58 -0.62 8.56 0.00 -1.25 -4.15 121.76 125.16 1n9c s ALA 47 Ca 0.66 1.05 0.05 0.00 0.00 0.00 0.00 51.96 53.72 1n9c s ALA 47 Cb -0.21 -3.79 0.05 0.00 0.00 0.00 0.00 23.12 19.18 1n9c s ALA 47 CO 0.60 -1.49 0.72 0.44 0.00 0.00 0.00 175.76 176.03 1n9c n ILE 48 N 5.56 0.13 -0.34 0.00 -6.64 0.20 -4.57 119.36 113.70 1n9c n ILE 48 Ca 0.18 -0.57 0.19 0.00 -1.77 0.00 0.00 62.75 60.78 1n9c n ILE 48 Cb 0.42 1.03 0.40 0.00 -1.44 0.00 0.00 39.64 40.05 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 1.01 0.60 -0.15 7.28 2.03 -1.10 0.81 116.42 126.89 1n9c h ASP 49 Ca 0.00 0.15 0.00 0.00 -0.73 0.00 0.00 57.03 56.45 1n9c h ASP 49 Cb 0.27 0.07 0.00 0.00 -0.83 0.00 0.00 39.33 38.84 1n9c h ASP 49 CO 0.00 0.03 0.00 0.29 -1.03 0.00 0.00 179.24 178.53 1n9c n LYS 50 N -4.94 1.95 -0.15 4.15 4.76 -1.26 -4.17 118.16 118.49 1n9c n LYS 50 Ca 0.28 -1.41 0.11 0.00 -2.87 0.00 0.00 58.31 54.42 1n9c n LYS 50 Cb 0.79 -1.45 0.44 0.00 -1.84 0.00 0.00 35.03 32.98 1n9c n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n9c h ALA 51 N 4.31 1.92 -0.16 7.82 0.00 -1.08 0.39 119.26 132.45 1n9c h ALA 51 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1n9c h ALA 51 Cb 0.66 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1n9c h ALA 51 CO 0.00 -0.07 0.03 0.78 0.00 0.00 0.00 179.25 179.99 1n9c h GLY 52 N 0.54 0.24 0.57 0.00 0.00 -1.75 0.33 103.07 102.99 1n9c h GLY 52 Ca 0.32 -0.11 -0.10 0.00 0.00 0.00 0.00 47.33 47.44 1n9c h GLY 52 CO -0.11 0.10 -0.42 0.00 0.00 0.00 0.00 176.54 176.12 1n9c h ALA 53 N 1.81 0.03 -0.09 3.60 0.00 -0.63 -3.39 119.26 120.60 1n9c h ALA 53 Ca 0.06 -0.53 -0.23 0.00 0.00 0.00 0.00 54.91 54.21 1n9c h ALA 53 Cb 0.11 0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.94 1n9c h ALA 53 CO -0.00 0.20 -0.82 -0.91 0.00 0.00 0.00 179.25 177.72 1n9c h ASN 54 N -0.37 0.88 -4.59 0.00 2.35 -0.64 -3.47 115.58 109.75 1n9c h ASN 54 Ca -0.06 -0.67 -0.51 0.00 -0.55 0.00 0.00 56.30 54.51 1n9c h ASN 54 Cb 1.17 -0.26 -0.10 0.00 0.05 0.00 0.00 38.32 39.18 1n9c h ASN 54 CO 0.08 1.42 -0.39 -1.22 -1.65 0.00 0.00 177.43 175.67 1n9c n TYR 55 N -3.96 0.58 -4.55 1.19 4.01 0.11 -5.07 117.16 109.47 1n9c n TYR 55 Ca -0.09 -2.12 -0.25 0.00 -0.16 0.00 0.00 57.90 55.27 1n9c n TYR 55 Cb 0.77 -0.15 -0.11 0.00 -0.31 0.00 0.00 39.34 39.54 1n9c n TYR 55 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1n9c s SER 56 N -3.21 3.32 0.25 7.72 0.01 -1.26 -4.34 113.70 116.20 1n9c s SER 56 Ca 0.08 -1.35 -0.03 0.00 1.31 0.00 0.00 55.95 55.96 1n9c s SER 56 Cb 0.00 -0.28 0.46 0.00 0.21 0.00 0.00 66.02 66.42 1n9c s SER 56 CO 0.06 -0.48 1.78 1.05 0.41 0.00 0.00 173.24 176.05 1n9c h GLU 57 N 1.92 0.65 -0.09 12.44 -0.00 -1.92 -1.71 114.58 125.87 1n9c h GLU 57 Ca -0.43 -0.04 0.04 0.00 -0.00 0.00 0.00 59.36 58.94 1n9c h GLU 57 Cb 1.24 -0.15 -0.06 0.00 -0.00 0.00 0.00 28.75 29.78 1n9c h GLU 57 CO 0.76 0.43 -0.38 1.05 -0.00 0.00 0.00 179.01 180.87 1n9c h GLU 58 N 0.67 -0.46 -0.23 1.06 9.09 -1.97 0.17 114.58 122.92 1n9c h GLU 58 Ca 0.43 0.03 0.04 0.00 0.05 0.00 0.00 59.36 59.91 1n9c h GLU 58 Cb 0.53 0.10 -0.04 0.00 -1.65 0.00 0.00 28.75 27.70 1n9c h GLU 58 CO -0.32 -0.31 0.00 0.93 0.05 0.00 0.00 179.01 179.37 1n9c h GLU 59 N -0.48 0.07 0.11 1.06 4.39 -1.75 -0.55 114.58 117.44 1n9c h GLU 59 Ca 0.08 -0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 1n9c h GLU 59 Cb 0.60 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1n9c h GLU 59 CO -0.35 0.05 -0.05 0.82 -1.16 0.00 0.00 179.01 178.31 1n9c h ILE 60 N 0.07 0.94 -0.21 3.13 2.04 -0.98 0.26 117.51 122.77 1n9c h ILE 60 Ca 0.11 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.81 1n9c h ILE 60 Cb 0.13 1.08 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 1n9c h ILE 60 CO -0.18 0.05 -0.38 0.25 0.00 0.00 0.00 178.15 177.89 1n9c h LEU 61 N -0.25 -1.22 -0.80 1.44 5.85 -0.40 0.17 115.31 120.10 1n9c h LEU 61 Ca -0.02 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1n9c h LEU 61 Cb 0.20 0.51 -0.04 0.00 0.37 0.00 0.00 40.66 41.71 1n9c h LEU 61 CO 0.03 -0.39 0.44 -0.78 -0.34 0.00 0.00 178.44 177.39 1n9c h ASP 62 N -0.41 1.01 -0.84 1.25 3.58 -0.89 -1.42 116.42 118.70 1n9c h ASP 62 Ca 0.10 -0.10 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 1n9c h ASP 62 Cb 0.59 -0.26 -0.04 0.00 1.72 0.00 0.00 39.33 41.34 1n9c h ASP 62 CO -0.43 0.82 0.37 0.40 -2.88 0.00 0.00 179.24 177.53 1n9c h ILE 63 N 1.12 1.26 0.08 2.25 2.04 -0.13 0.28 117.51 124.41 1n9c h ILE 63 Ca 0.28 -0.77 -0.00 0.00 1.00 0.00 0.00 64.86 65.37 1n9c h ILE 63 Cb 0.04 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 1n9c h ILE 63 CO -0.04 0.33 -0.06 0.40 0.00 0.00 0.00 178.15 178.77 1n9c h ILE 64 N 1.20 0.87 -0.65 -0.67 2.04 0.05 0.43 117.51 120.78 1n9c h ILE 64 Ca 0.28 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.11 1n9c h ILE 64 Cb 0.16 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.08 1n9c h ILE 64 CO -0.03 0.00 0.28 -0.07 0.00 0.00 0.00 178.15 178.33 1n9c h LEU 65 N -0.15 0.88 0.00 1.44 3.38 -0.81 0.11 115.31 120.17 1n9c h LEU 65 Ca -0.00 -0.15 -0.26 0.00 0.09 0.00 0.00 57.88 57.55 1n9c h LEU 65 Cb 0.13 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 1n9c h LEU 65 CO -0.00 0.79 -1.46 0.59 0.09 0.00 0.00 178.44 178.45 1n9c n ASN 66 N -4.44 1.88 0.00 -0.43 3.02 0.93 -1.58 115.26 114.63 1n9c n ASN 66 Ca 0.05 0.42 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 1n9c n ASN 66 Cb 0.15 -0.93 0.00 0.00 -0.61 0.00 0.00 39.78 38.39 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 1.41 0.37 3.64 7.41 0.00 0.15 -4.25 105.19 113.93 1n9c n GLY 67 Ca -0.35 -2.26 -0.03 0.00 0.00 0.00 0.00 46.02 43.38 1n9c n GLY 67 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1n9c s GLN 68 N -0.23 0.38 1.01 1.61 2.00 -1.22 -4.53 119.66 118.68 1n9c s GLN 68 Ca 0.00 0.64 0.00 0.00 -2.00 0.00 0.00 55.36 54.00 1n9c s GLN 68 Cb 0.00 0.09 0.00 0.00 0.80 0.00 0.00 33.01 33.90 1n9c s GLN 68 CO 0.00 -0.08 0.00 0.41 -0.50 0.00 0.00 175.29 175.12 1n9c n GLY 69 N 3.54 1.94 0.00 2.59 0.00 -1.26 0.11 105.19 112.12 1n9c n GLY 69 Ca -0.18 0.51 0.13 0.00 0.00 0.00 0.00 46.02 46.48 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 0.00 -1.36 3.70 -0.02 0.00 -1.26 -4.89 105.19 101.36 1n9c n GLY 70 Ca 0.00 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.01 4.20 0.30 1.61 0.00 0.12 -4.92 119.30 117.60 1n9c s MET 71 Ca 0.12 2.35 0.03 0.00 0.00 0.00 0.00 55.69 58.19 1n9c s MET 71 Cb 0.18 -3.48 0.47 0.00 0.00 0.00 0.00 34.83 32.00 1n9c s MET 71 CO 0.63 -0.70 1.78 -1.00 0.00 0.00 0.00 175.02 175.73 1n9c h PRO 72 N 7.92 0.53 0.00 4.11 0.13 -1.90 -3.24 132.00 139.55 1n9c h PRO 72 Ca -0.43 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.54 1n9c h PRO 72 Cb 1.20 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1n9c h PRO 72 CO 0.93 0.66 0.00 0.41 -0.23 0.00 0.00 178.00 179.76 1n9c n GLY 73 N -0.58 -1.58 2.43 1.56 0.00 -1.26 -4.61 105.19 101.14 1n9c n GLY 73 Ca 0.01 -1.56 -0.13 0.00 0.00 0.00 0.00 46.02 44.34 1n9c n GLY 73 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n9c n GLY 74 N -1.46 1.39 0.22 -0.02 0.00 0.37 -4.87 105.19 100.82 1n9c n GLY 74 Ca 0.00 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.73 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 1.12 -3.75 -0.61 2.04 -1.87 -3.43 117.51 111.02 1n9c h ILE 75 Ca -0.27 -0.69 -0.13 0.00 1.00 0.00 0.00 64.86 64.76 1n9c h ILE 75 Cb 0.91 1.37 -0.19 0.00 -0.74 0.00 0.00 36.82 38.17 1n9c h ILE 75 CO 0.40 0.20 -0.53 0.00 0.00 0.00 0.00 178.15 178.21 1n9c s ALA 76 N -4.57 -0.11 0.12 1.87 0.00 -1.26 -5.05 121.76 112.76 1n9c s ALA 76 Ca -0.04 -0.46 -0.08 0.00 0.00 0.00 0.00 51.96 51.38 1n9c s ALA 76 Cb 0.15 0.21 -0.01 0.00 0.00 0.00 0.00 23.12 23.47 1n9c s ALA 76 CO 0.70 -0.28 0.22 -1.59 0.00 0.00 0.00 175.76 174.81 1n9c s LYS 77 N -2.21 0.96 5.16 0.00 -2.85 -1.26 -4.38 119.74 115.16 1n9c s LYS 77 Ca -0.08 -1.06 0.00 0.00 -1.00 0.00 0.00 55.97 53.83 1n9c s LYS 77 Cb -0.04 0.35 0.00 0.00 -2.06 0.00 0.00 37.83 36.09 1n9c s LYS 77 CO -0.03 -0.32 0.00 0.41 0.10 0.00 0.00 175.35 175.51 1n9c n GLY 78 N -0.12 2.80 0.00 0.59 0.00 -1.26 -1.96 105.19 105.25 1n9c n GLY 78 Ca -0.12 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.59 1n9c n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1n9c n ALA 79 N 8.69 0.88 -0.01 4.61 0.00 -1.26 -0.49 120.51 132.92 1n9c n ALA 79 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1n9c n ALA 79 Cb 0.00 -0.76 -0.00 0.00 0.00 0.00 0.00 19.45 18.69 1n9c n ALA 79 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1n9c h GLU 80 N 0.00 0.00 -0.60 0.00 4.81 -1.71 -1.42 114.58 115.66 1n9c h GLU 80 Ca 0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1n9c h GLU 80 Cb 0.16 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1n9c h GLU 80 CO 0.00 0.00 0.01 0.00 -0.73 0.00 0.00 179.01 178.29 1n9c h ALA 81 N -1.72 0.89 -0.30 2.92 0.00 -1.02 -1.44 119.26 118.58 1n9c h ALA 81 Ca 0.00 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.65 1n9c h ALA 81 Cb 0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.53 1n9c h ALA 81 CO 0.00 0.66 0.05 0.93 0.00 0.00 0.00 179.25 180.89 1n9c h GLU 82 N 0.95 0.15 -0.44 0.00 5.08 -1.02 0.17 114.58 119.47 1n9c h GLU 82 Ca 0.17 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.53 1n9c h GLU 82 Cb 0.54 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 1n9c h GLU 82 CO 0.03 0.10 0.29 0.00 -1.00 0.00 0.00 179.01 178.43 1n9c h ALA 83 N 1.23 0.56 -0.38 3.43 0.00 -1.54 -1.89 119.26 120.67 1n9c h ALA 83 Ca 0.14 -0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.10 1n9c h ALA 83 Cb 0.16 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 1n9c h ALA 83 CO -0.20 0.01 -0.05 0.28 0.00 0.00 0.00 179.25 179.29 1n9c h VAL 84 N 0.59 0.66 -0.37 0.00 2.07 -0.36 0.37 116.25 119.21 1n9c h VAL 84 Ca 0.16 -0.02 0.07 0.00 0.82 0.00 0.00 66.70 67.73 1n9c h VAL 84 Cb -0.06 0.61 -0.09 0.00 -1.52 0.00 0.00 31.29 30.23 1n9c h VAL 84 CO -0.04 0.01 -0.42 0.00 0.02 0.00 0.00 177.57 177.14 1n9c h ALA 85 N 1.36 -0.43 0.55 1.67 0.00 0.09 0.38 119.26 122.89 1n9c h ALA 85 Ca 0.19 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 1n9c h ALA 85 Cb 0.28 0.86 0.01 0.00 0.00 0.00 0.00 17.79 18.93 1n9c h ALA 85 CO -0.36 -0.86 -0.27 0.00 0.00 0.00 0.00 179.25 177.77 1n9c h ALA 86 N 0.42 -0.74 -0.11 0.00 0.00 -1.16 -0.60 119.26 117.07 1n9c h ALA 86 Ca 0.13 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1n9c h ALA 86 Cb 0.58 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1n9c h ALA 86 CO -0.55 -0.90 -0.02 2.35 0.00 0.00 0.00 179.25 180.14 1n9c h TRP 87 N -0.79 -0.04 -0.49 0.00 7.01 -0.52 0.13 115.95 121.25 1n9c h TRP 87 Ca -0.08 0.01 -0.04 0.00 2.11 0.00 0.00 58.89 60.89 1n9c h TRP 87 Cb 0.59 0.03 -0.02 0.00 -2.10 0.00 0.00 29.16 27.66 1n9c h TRP 87 CO -0.03 -0.03 0.13 1.25 -2.79 0.00 0.00 178.44 176.97 1n9c h LEU 88 N 0.01 0.74 -0.88 0.65 7.12 -0.30 -0.02 115.31 122.63 1n9c h LEU 88 Ca 0.05 -0.22 0.13 0.00 0.13 0.00 0.00 57.88 57.96 1n9c h LEU 88 Cb 0.07 -0.19 -0.09 0.00 -0.53 0.00 0.00 40.66 39.92 1n9c h LEU 88 CO -0.10 0.77 0.50 0.00 -0.13 0.00 0.00 178.44 179.48 1n9c h ALA 89 N 1.00 1.31 0.00 1.25 0.00 -0.76 -0.82 119.26 121.24 1n9c h ALA 89 Ca 0.16 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1n9c h ALA 89 Cb 0.31 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1n9c h ALA 89 CO -0.00 0.05 0.00 -1.91 0.00 0.00 0.00 179.25 177.38 1n9c n GLU 90 N -4.77 0.17 0.12 0.00 0.00 0.42 -3.80 120.64 112.78 1n9c n GLU 90 Ca 0.17 0.30 0.13 0.00 0.00 0.00 0.00 57.16 57.75 1n9c n GLU 90 Cb 0.37 -1.77 0.35 0.00 0.00 0.00 0.00 31.44 30.40 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 5.31 3.11 0.48 -3.51 116.57 121.96 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 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.71 1n9c h LYS 91 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 179.45 177.00