#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 5.59 0.17 4.52 1.11 -1.26 -4.85 116.67 121.95 1n9c s ASP 23 Ca 0.00 0.45 -0.20 0.00 0.18 0.00 0.00 52.55 52.98 1n9c s ASP 23 Cb 0.00 -2.53 0.08 0.00 1.07 0.00 0.00 42.92 41.54 1n9c s ASP 23 CO 0.00 -2.10 1.63 0.00 1.18 0.00 0.00 175.17 175.88 1n9c h ALA 24 N 13.57 0.04 -0.90 5.23 0.00 -1.93 0.16 119.26 135.42 1n9c h ALA 24 Ca -0.27 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1n9c h ALA 24 Cb 1.14 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 19.38 1n9c h ALA 24 CO 1.18 -0.59 0.57 1.05 0.00 0.00 0.00 179.25 181.46 1n9c h GLU 25 N -0.15 1.21 -0.57 0.00 4.11 -1.90 -1.49 114.58 115.79 1n9c h GLU 25 Ca 0.18 -0.09 0.02 0.00 0.07 0.00 0.00 59.36 59.54 1n9c h GLU 25 Cb 0.44 -0.26 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 1n9c h GLU 25 CO -0.46 0.83 0.35 0.00 0.07 0.00 0.00 179.01 179.80 1n9c h ALA 26 N 1.31 0.74 -0.04 1.06 0.00 -1.16 0.30 119.26 121.47 1n9c h ALA 26 Ca 0.33 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.24 1n9c h ALA 26 Cb -0.09 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 1n9c h ALA 26 CO -0.07 0.08 -0.49 0.28 0.00 0.00 0.00 179.25 179.05 1n9c h VAL 27 N 0.69 0.00 -0.61 0.00 2.07 -0.57 -1.32 116.25 116.51 1n9c h VAL 27 Ca 0.23 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.68 1n9c h VAL 27 Cb 0.01 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.76 1n9c h VAL 27 CO -0.09 0.00 0.11 0.58 0.02 0.00 0.00 177.57 178.19 1n9c h VAL 28 N -0.59 1.26 0.00 2.57 2.07 -0.07 0.42 116.25 121.90 1n9c h VAL 28 Ca 0.02 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1n9c h VAL 28 Cb 0.65 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1n9c h VAL 28 CO -0.35 0.36 0.00 0.00 0.02 0.00 0.00 177.57 177.60 1n9c n GLN 29 N -4.30 0.06 0.00 1.57 1.13 0.88 -1.33 117.38 115.39 1n9c n GLN 29 Ca 0.03 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.09 1n9c n GLN 29 Cb 0.27 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.14 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 -0.98 1.97 -0.01 -1.09 7.27 0.12 -4.84 117.38 119.82 1n9c n GLN 30 Ca 0.01 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.11 1n9c n GLN 30 Cb 0.01 -0.16 -0.05 0.00 2.41 0.00 0.00 30.24 32.45 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 0.58 0.00 3.69 4.76 0.12 -4.82 118.16 122.50 1n9c n LYS 31 Ca 0.00 -0.05 0.00 0.00 -2.87 0.00 0.00 58.31 55.39 1n9c n LYS 31 Cb 0.00 -1.14 0.00 0.00 -1.84 0.00 0.00 35.03 32.05 1n9c n LYS 31 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1n9c h ILE 33 N 0.00 0.44 -1.27 0.00 3.07 -1.43 0.07 117.51 118.38 1n9c h ILE 33 Ca 0.00 -0.01 0.45 0.00 1.55 0.00 0.00 64.86 66.85 1n9c h ILE 33 Cb 0.84 0.40 -0.15 0.00 -0.27 0.00 0.00 36.82 37.64 1n9c h ILE 33 CO 0.00 0.01 0.79 0.28 -1.05 0.00 0.00 178.15 178.18 1n9c h SER 34 N 0.03 0.25 0.00 2.16 0.02 -1.85 0.21 113.55 114.37 1n9c h SER 34 Ca 0.55 0.18 -0.01 0.00 -0.84 0.00 0.00 61.79 61.67 1n9c h SER 34 Cb 2.13 0.17 -0.00 0.00 0.14 0.00 0.00 62.40 64.84 1n9c h SER 34 CO -0.03 -0.27 -1.03 0.00 -1.14 0.00 0.00 176.83 174.36 1n9c n HIS 36 N -2.69 0.86 0.00 0.00 8.25 -0.16 0.06 115.22 121.54 1n9c n HIS 36 Ca -0.01 0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.79 1n9c n HIS 36 Cb 0.51 -1.04 0.00 0.00 1.12 0.00 0.00 29.99 30.58 1n9c n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1n9c n GLY 37 N 0.06 -0.74 0.39 -1.41 0.00 0.72 -0.37 105.19 103.83 1n9c n GLY 37 Ca 0.02 -1.53 -0.06 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.32 0.81 -0.02 0.00 -1.95 0.20 103.07 101.78 1n9c h GLY 38 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.90 1n9c h GLY 38 CO 0.00 -0.15 -0.00 1.22 0.00 0.00 0.00 176.54 177.61 1n9c n ASP 39 N -5.41 0.22 -1.58 0.19 8.00 -1.26 -4.88 116.55 111.83 1n9c n ASP 39 Ca 0.04 -1.04 -0.16 0.00 0.71 0.00 0.00 54.79 54.35 1n9c n ASP 39 Cb 0.35 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.41 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 -0.84 -1.50 -0.01 0.64 4.77 0.69 -4.65 117.00 116.10 1n9c n LEU 40 Ca 0.23 0.16 0.14 0.00 -0.03 0.00 0.00 56.01 56.50 1n9c n LEU 40 Cb 0.15 -2.35 0.62 0.00 -2.33 0.00 0.00 43.42 39.51 1n9c n LEU 40 CO 0.18 -0.45 0.92 0.35 -1.33 0.00 0.00 177.39 177.06 1n9c n THR 41 N -3.40 0.00 -0.19 -5.08 -2.24 -1.22 -0.77 114.28 101.38 1n9c n THR 41 Ca -0.18 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1n9c n THR 41 Cb 0.60 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 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 1.42 0.55 0.00 3.38 0.00 0.50 -3.90 105.19 107.14 1n9c n GLY 42 Ca 0.10 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.07 0.00 1.26 4.61 0.00 -0.70 -4.61 120.51 121.00 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 0.40 0.00 0.00 0.00 0.00 19.45 19.86 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 -0.48 1.86 -4.02 0.00 7.64 0.11 -4.89 113.62 113.85 1n9c n SER 44 Ca 0.00 -1.66 -0.08 0.00 1.01 0.00 0.00 58.87 58.13 1n9c n SER 44 Cb 0.00 -0.06 -0.09 0.00 -1.01 0.00 0.00 64.21 63.06 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 -1.89 0.30 0.96 -0.43 0.00 -1.11 -4.91 121.76 114.69 1n9c s ALA 45 Ca 0.35 -1.05 -0.11 0.00 0.00 0.00 0.00 51.96 51.14 1n9c s ALA 45 Cb 0.20 0.56 0.17 0.00 0.00 0.00 0.00 23.12 24.04 1n9c s ALA 45 CO 0.30 -0.48 1.09 -1.25 0.00 0.00 0.00 175.76 175.43 1n9c s PRO 46 N -3.94 0.74 0.03 0.00 0.04 -1.26 -4.19 135.00 126.42 1n9c s PRO 46 Ca 0.12 1.07 -0.30 0.00 0.04 0.00 0.00 61.00 61.93 1n9c s PRO 46 Cb 0.06 -1.73 -0.08 0.00 0.04 0.00 0.00 34.50 32.79 1n9c s PRO 46 CO -0.06 -2.67 1.77 0.00 0.04 0.00 0.00 177.00 176.09 1n9c s ALA 47 N -2.73 3.64 -0.51 8.56 0.00 -1.25 -4.18 121.76 125.29 1n9c s ALA 47 Ca 0.65 1.20 0.04 0.00 0.00 0.00 0.00 51.96 53.85 1n9c s ALA 47 Cb -0.21 -3.76 0.04 0.00 0.00 0.00 0.00 23.12 19.19 1n9c s ALA 47 CO 0.59 -1.35 0.68 0.44 0.00 0.00 0.00 175.76 176.13 1n9c n ILE 48 N 5.20 0.11 -0.31 0.00 -6.64 0.05 -4.55 119.36 113.22 1n9c n ILE 48 Ca 0.18 -0.55 0.24 0.00 -1.77 0.00 0.00 62.75 60.84 1n9c n ILE 48 Cb 0.41 1.02 0.54 0.00 -1.44 0.00 0.00 39.64 40.18 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 0.82 0.38 -0.33 7.28 2.03 -1.27 0.11 116.42 125.44 1n9c h ASP 49 Ca 0.00 0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.36 1n9c h ASP 49 Cb 0.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 1n9c h ASP 49 CO 0.00 0.09 0.00 0.29 -1.03 0.00 0.00 179.24 178.59 1n9c n LYS 50 N -4.55 2.44 -0.15 4.15 4.01 -1.26 -4.47 118.16 118.33 1n9c n LYS 50 Ca 0.24 -2.16 0.19 0.00 -0.51 0.00 0.00 58.31 56.07 1n9c n LYS 50 Cb 0.89 -1.50 0.57 0.00 -0.51 0.00 0.00 35.03 34.48 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 4.52 2.30 -0.09 7.82 0.00 -1.01 0.29 119.26 133.09 1n9c h ALA 51 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1n9c h ALA 51 Cb 0.96 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1n9c h ALA 51 CO 0.00 -0.52 -0.09 0.78 0.00 0.00 0.00 179.25 179.42 1n9c h GLY 52 N 0.28 0.15 0.81 0.00 0.00 -1.69 0.36 103.07 102.98 1n9c h GLY 52 Ca 0.38 -0.08 -0.17 0.00 0.00 0.00 0.00 47.33 47.46 1n9c h GLY 52 CO -0.10 0.08 -0.68 0.00 0.00 0.00 0.00 176.54 175.84 1n9c h ALA 53 N 1.78 0.05 -0.11 3.60 0.00 -0.80 -3.38 119.26 120.40 1n9c h ALA 53 Ca 0.03 -0.60 -0.24 0.00 0.00 0.00 0.00 54.91 54.10 1n9c h ALA 53 Cb 0.25 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.10 1n9c h ALA 53 CO 0.01 0.38 -0.86 -0.91 0.00 0.00 0.00 179.25 177.88 1n9c h ASN 54 N -0.10 0.94 -4.17 0.00 2.35 -0.77 -3.46 115.58 110.36 1n9c h ASN 54 Ca -0.09 -0.65 -0.35 0.00 -0.55 0.00 0.00 56.30 54.66 1n9c h ASN 54 Cb 1.40 -0.28 -0.17 0.00 0.05 0.00 0.00 38.32 39.32 1n9c h ASN 54 CO 0.13 1.46 -0.73 -0.31 -1.65 0.00 0.00 177.43 176.32 1n9c s TYR 55 N -3.63 1.21 0.42 1.19 2.02 0.12 -5.08 117.35 113.61 1n9c s TYR 55 Ca -0.10 -0.65 -0.00 0.00 -0.37 0.00 0.00 57.07 55.94 1n9c s TYR 55 Cb 0.08 -0.64 -0.02 0.00 -0.40 0.00 0.00 41.96 40.99 1n9c s TYR 55 CO 0.91 0.06 0.65 -1.12 -1.57 0.00 0.00 175.55 174.48 1n9c s SER 56 N -2.64 6.02 0.26 2.29 0.01 -1.26 -4.04 113.70 114.34 1n9c s SER 56 Ca 0.09 0.41 -0.04 0.00 1.31 0.00 0.00 55.95 57.72 1n9c s SER 56 Cb -0.02 -1.77 0.51 0.00 0.21 0.00 0.00 66.02 64.95 1n9c s SER 56 CO 0.01 -0.56 1.64 1.05 0.41 0.00 0.00 173.24 175.79 1n9c h GLU 57 N 0.49 0.15 -0.53 12.44 4.11 -1.90 -0.40 114.58 128.93 1n9c h GLU 57 Ca -0.47 -0.01 0.08 0.00 0.07 0.00 0.00 59.36 59.02 1n9c h GLU 57 Cb 1.24 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 30.35 1n9c h GLU 57 CO 0.59 0.10 -0.46 1.05 0.07 0.00 0.00 179.01 180.36 1n9c h GLU 58 N 0.15 -0.26 -0.03 1.06 4.11 -1.94 0.27 114.58 117.94 1n9c h GLU 58 Ca 0.45 0.02 0.02 0.00 0.07 0.00 0.00 59.36 59.91 1n9c h GLU 58 Cb 0.82 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 1n9c h GLU 58 CO -0.64 -0.18 -0.07 0.93 0.07 0.00 0.00 179.01 179.12 1n9c h GLU 59 N -0.27 -0.11 -0.22 1.06 4.39 -1.48 -0.23 114.58 117.73 1n9c h GLU 59 Ca 0.15 0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.84 1n9c h GLU 59 Cb 0.57 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 1n9c h GLU 59 CO -0.66 -0.07 0.08 0.82 -1.16 0.00 0.00 179.01 178.02 1n9c h ILE 60 N -0.11 1.17 -0.23 3.13 2.04 -0.92 0.09 117.51 122.67 1n9c h ILE 60 Ca 0.04 -0.53 0.06 0.00 1.00 0.00 0.00 64.86 65.43 1n9c h ILE 60 Cb 0.17 1.11 -0.07 0.00 -0.74 0.00 0.00 36.82 37.29 1n9c h ILE 60 CO -0.10 0.17 -0.33 0.25 0.00 0.00 0.00 178.15 178.14 1n9c h LEU 61 N 0.19 -1.04 -0.26 1.44 5.85 -0.29 0.18 115.31 121.38 1n9c h LEU 61 Ca 0.07 0.16 0.05 0.00 0.84 0.00 0.00 57.88 59.00 1n9c h LEU 61 Cb 0.19 0.46 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1n9c h LEU 61 CO -0.01 -0.35 -0.05 0.44 -0.34 0.00 0.00 178.44 178.14 1n9c h ASP 62 N -0.35 -0.20 -0.71 1.25 3.32 -0.67 0.14 116.42 119.21 1n9c h ASP 62 Ca 0.12 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.28 1n9c h ASP 62 Cb 0.54 0.14 -0.05 0.00 0.22 0.00 0.00 39.33 40.19 1n9c h ASP 62 CO -0.42 -0.07 0.44 0.40 -1.72 0.00 0.00 179.24 177.87 1n9c h ILE 63 N 0.02 1.08 0.10 0.35 2.04 0.18 0.40 117.51 121.68 1n9c h ILE 63 Ca 0.12 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1n9c h ILE 63 Cb 0.18 0.15 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 1n9c h ILE 63 CO -0.25 0.15 -0.05 0.40 0.00 0.00 0.00 178.15 178.41 1n9c h ILE 64 N 0.85 0.93 0.00 -0.67 2.04 -0.13 0.50 117.51 121.03 1n9c h ILE 64 Ca 0.29 -0.10 -0.07 0.00 1.00 0.00 0.00 64.86 65.98 1n9c h ILE 64 Cb 0.05 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 1n9c h ILE 64 CO -0.12 0.02 -0.35 -0.07 0.00 0.00 0.00 178.15 177.63 1n9c h LEU 65 N -0.18 0.00 0.00 1.44 3.38 -0.18 0.15 115.31 119.92 1n9c h LEU 65 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1n9c h LEU 65 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1n9c h LEU 65 CO 0.02 0.35 -0.86 0.59 0.09 0.00 0.00 178.44 178.63 1n9c n ASN 66 N -4.11 1.81 0.00 -0.43 3.02 0.13 -3.11 115.26 112.56 1n9c n ASN 66 Ca -0.02 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 1n9c n ASN 66 Cb 0.39 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.87 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 1.72 0.84 3.33 7.41 0.00 0.18 -4.09 105.19 114.57 1n9c n GLY 67 Ca -0.12 -2.04 -0.10 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.29 1.09 0.00 1.61 2.00 -1.22 -4.49 119.66 117.36 1n9c s GLN 68 Ca 0.00 -0.80 0.00 0.00 -2.00 0.00 0.00 55.36 52.56 1n9c s GLN 68 Cb 0.00 0.45 0.00 0.00 0.80 0.00 0.00 33.01 34.26 1n9c s GLN 68 CO 0.00 -0.42 0.49 0.41 -0.50 0.00 0.00 175.29 175.27 1n9c n GLY 69 N -0.22 -1.65 1.51 2.59 0.00 -1.26 -0.27 105.19 105.89 1n9c n GLY 69 Ca -0.14 0.32 -0.02 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.97 2.81 3.29 -0.02 0.00 -1.26 -4.88 105.19 104.16 1n9c n GLY 70 Ca 0.00 -0.61 -0.32 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.09 2.99 0.18 1.61 0.00 0.63 -5.05 119.30 117.57 1n9c s MET 71 Ca 0.35 -0.82 -0.10 0.00 0.00 0.00 0.00 55.69 55.12 1n9c s MET 71 Cb 0.27 -2.36 0.08 0.00 0.00 0.00 0.00 34.83 32.82 1n9c s MET 71 CO 0.09 0.27 1.67 -1.00 0.00 0.00 0.00 175.02 176.05 1n9c h PRO 72 N 6.46 1.04 0.00 4.11 0.13 -1.90 -3.23 132.00 138.61 1n9c h PRO 72 Ca -0.26 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1n9c h PRO 72 Cb 1.21 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1n9c h PRO 72 CO 0.50 0.97 0.00 0.41 -0.23 0.00 0.00 178.00 179.65 1n9c n GLY 73 N -0.55 -2.36 2.56 1.56 0.00 -1.26 -4.66 105.19 100.47 1n9c n GLY 73 Ca 0.03 -1.44 -0.13 0.00 0.00 0.00 0.00 46.02 44.48 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 -1.64 1.34 0.35 -0.02 0.00 0.51 -4.82 105.19 100.91 1n9c n GLY 74 Ca 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 46.02 45.88 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 1.11 -4.02 -0.61 1.08 -1.89 -3.41 117.51 109.78 1n9c h ILE 75 Ca -0.27 -0.32 -0.42 0.00 -0.39 0.00 0.00 64.86 63.46 1n9c h ILE 75 Cb 1.04 0.11 -0.24 0.00 -3.07 0.00 0.00 36.82 34.65 1n9c h ILE 75 CO 0.40 0.17 -0.79 0.00 -0.69 0.00 0.00 178.15 177.24 1n9c s ALA 76 N -5.80 1.10 0.04 1.87 0.00 -1.26 -5.08 121.76 112.62 1n9c s ALA 76 Ca -0.11 -0.82 -0.06 0.00 0.00 0.00 0.00 51.96 50.97 1n9c s ALA 76 Cb 0.19 -0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 1n9c s ALA 76 CO 0.78 0.19 0.11 0.15 0.00 0.00 0.00 175.76 176.99 1n9c s LYS 77 N -1.20 0.60 6.09 0.00 1.02 -1.26 -4.26 119.74 120.72 1n9c s LYS 77 Ca 0.00 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.27 1n9c s LYS 77 Cb -0.08 0.24 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 1n9c s LYS 77 CO 0.01 -0.15 0.00 0.41 -0.92 0.00 0.00 175.35 174.70 1n9c n GLY 78 N 0.79 2.98 0.41 -3.33 0.00 -1.26 -2.77 105.19 102.00 1n9c n GLY 78 Ca -0.19 -0.36 0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.97 2.33 0.35 4.61 0.00 -1.99 0.23 119.26 123.83 1n9c h ALA 79 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1n9c h ALA 79 Cb 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1n9c h ALA 79 CO 0.00 -0.87 -0.47 1.49 0.00 0.00 0.00 179.25 179.40 1n9c h GLU 80 N 0.27 -0.82 -0.34 0.00 4.81 -1.87 0.16 114.58 116.79 1n9c h GLU 80 Ca 0.71 0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.87 1n9c h GLU 80 Cb 1.91 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 31.46 1n9c h GLU 80 CO -0.42 -0.54 -0.30 0.00 -0.73 0.00 0.00 179.01 177.02 1n9c h ALA 81 N -0.87 0.83 0.16 2.92 0.00 -0.73 -0.61 119.26 120.96 1n9c h ALA 81 Ca -0.04 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1n9c h ALA 81 Cb 0.77 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 1n9c h ALA 81 CO -0.12 0.64 -0.16 0.93 0.00 0.00 0.00 179.25 180.53 1n9c h GLU 82 N 0.62 -0.35 -0.12 0.00 5.08 -1.01 0.15 114.58 118.96 1n9c h GLU 82 Ca 0.07 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.50 1n9c h GLU 82 Cb 0.82 0.08 -0.05 0.00 0.50 0.00 0.00 28.75 30.10 1n9c h GLU 82 CO 0.07 -0.23 -0.19 0.00 -1.00 0.00 0.00 179.01 177.66 1n9c h ALA 83 N 0.44 -0.14 -0.08 3.43 0.00 -0.47 -0.26 119.26 122.18 1n9c h ALA 83 Ca 0.00 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1n9c h ALA 83 Cb 0.34 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1n9c h ALA 83 CO -0.04 -0.64 -0.26 0.28 0.00 0.00 0.00 179.25 178.58 1n9c h VAL 84 N -0.24 0.00 -0.50 0.00 2.07 -0.91 -1.04 116.25 115.62 1n9c h VAL 84 Ca 0.09 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.71 1n9c h VAL 84 Cb 0.38 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 30.05 1n9c h VAL 84 CO -0.26 0.00 -0.12 0.00 0.02 0.00 0.00 177.57 177.21 1n9c h ALA 85 N -0.86 0.34 0.52 1.67 0.00 -0.17 0.45 119.26 121.21 1n9c h ALA 85 Ca 0.02 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1n9c h ALA 85 Cb 0.32 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1n9c h ALA 85 CO -0.22 -0.44 -0.36 0.00 0.00 0.00 0.00 179.25 178.23 1n9c h ALA 86 N 1.50 -0.88 -0.65 0.00 0.00 -0.98 0.15 119.26 118.40 1n9c h ALA 86 Ca 0.24 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.08 1n9c h ALA 86 Cb 0.37 0.47 -0.04 0.00 0.00 0.00 0.00 17.79 18.59 1n9c h ALA 86 CO -0.51 -1.02 0.43 2.35 0.00 0.00 0.00 179.25 180.51 1n9c h TRP 87 N -0.86 0.53 -0.05 0.00 7.01 -0.26 0.80 115.95 123.13 1n9c h TRP 87 Ca -0.06 0.01 -0.15 0.00 2.11 0.00 0.00 58.89 60.80 1n9c h TRP 87 Cb 0.72 -0.17 0.01 0.00 -2.10 0.00 0.00 29.16 27.61 1n9c h TRP 87 CO -0.13 0.25 -0.57 1.25 -2.79 0.00 0.00 178.44 176.45 1n9c h LEU 88 N 0.50 0.58 -1.73 0.65 7.12 0.23 -1.42 115.31 121.24 1n9c h LEU 88 Ca 0.30 -0.71 0.08 0.00 0.13 0.00 0.00 57.88 57.68 1n9c h LEU 88 Cb 0.51 -0.17 -0.03 0.00 -0.53 0.00 0.00 40.66 40.44 1n9c h LEU 88 CO -0.09 1.20 0.33 0.00 -0.13 0.00 0.00 178.44 179.75 1n9c h ALA 89 N 0.39 2.04 0.00 1.25 0.00 -0.07 -1.01 119.26 121.86 1n9c h ALA 89 Ca -0.06 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1n9c h ALA 89 Cb 1.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1n9c h ALA 89 CO 0.11 -0.14 -0.22 1.49 0.00 0.00 0.00 179.25 180.49 1n9c h GLU 90 N 0.32 0.00 0.00 0.00 4.81 -0.54 -3.39 114.58 115.79 1n9c h GLU 90 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 1n9c h GLU 90 Cb 0.45 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.83 1n9c h GLU 90 CO -0.05 0.22 0.00 1.17 -0.73 0.00 0.00 179.01 179.62 1n9c n LYS 91 N -3.29 0.23 0.00 1.92 0.00 -0.39 -5.07 118.16 111.56 1n9c n LYS 91 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 58.31 58.36 1n9c n LYS 91 Cb 0.49 -1.30 0.03 0.00 0.00 0.00 0.00 35.03 34.25 1n9c n LYS 91 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76