#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 5.42 0.18 4.52 1.11 -1.26 -4.77 116.67 121.86 1n9c s ASP 23 Ca 0.00 0.11 -0.16 0.00 0.18 0.00 0.00 52.55 52.68 1n9c s ASP 23 Cb 0.00 -2.54 0.13 0.00 1.07 0.00 0.00 42.92 41.59 1n9c s ASP 23 CO 0.00 -2.31 1.66 0.00 1.18 0.00 0.00 175.17 175.70 1n9c h ALA 24 N 13.85 0.32 -0.89 5.23 0.00 -1.91 0.25 119.26 136.11 1n9c h ALA 24 Ca -0.23 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1n9c h ALA 24 Cb 1.13 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 1n9c h ALA 24 CO 1.23 -0.44 0.50 1.05 0.00 0.00 0.00 179.25 181.59 1n9c h GLU 25 N 0.01 1.23 -0.49 0.00 4.11 -1.92 -1.11 114.58 116.42 1n9c h GLU 25 Ca 0.22 -0.13 -0.01 0.00 0.07 0.00 0.00 59.36 59.50 1n9c h GLU 25 Cb 0.34 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 1n9c h GLU 25 CO -0.47 0.89 0.25 0.00 0.07 0.00 0.00 179.01 179.75 1n9c h ALA 26 N 1.31 0.63 -0.02 1.06 0.00 -0.93 0.38 119.26 121.67 1n9c h ALA 26 Ca 0.31 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1n9c h ALA 26 Cb 0.01 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1n9c h ALA 26 CO -0.05 0.17 -0.25 0.28 0.00 0.00 0.00 179.25 179.40 1n9c h VAL 27 N 0.64 0.00 -0.24 0.00 2.07 -1.10 -2.66 116.25 114.96 1n9c h VAL 27 Ca 0.17 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.70 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 -0.02 0.00 0.12 0.58 0.02 0.00 0.00 177.57 178.27 1n9c h VAL 28 N -0.29 1.00 0.00 2.57 2.07 -0.18 0.26 116.25 121.67 1n9c h VAL 28 Ca 0.01 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1n9c h VAL 28 Cb 0.32 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1n9c h VAL 28 CO -0.18 0.05 0.06 0.00 0.02 0.00 0.00 177.57 177.52 1n9c n GLN 29 N -4.98 0.00 0.00 1.57 1.13 0.12 -0.55 117.38 114.67 1n9c n GLN 29 Ca -0.02 0.29 0.00 0.00 -1.94 0.00 0.00 57.00 55.33 1n9c n GLN 29 Cb 0.06 -1.56 0.00 0.00 0.11 0.00 0.00 30.24 28.85 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 -1.26 -0.04 0.09 -1.09 7.27 0.33 -4.86 117.38 117.82 1n9c n GLN 30 Ca 0.00 -0.33 0.00 0.00 0.07 0.00 0.00 57.00 56.74 1n9c n GLN 30 Cb 0.06 -0.68 0.00 0.00 2.41 0.00 0.00 30.24 32.03 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 -0.04 0.00 0.04 3.69 4.76 0.63 -4.85 118.16 122.39 1n9c n LYS 31 Ca 0.00 0.00 -0.22 0.00 -2.87 0.00 0.00 58.31 55.22 1n9c n LYS 31 Cb 0.21 -0.27 -0.14 0.00 -1.84 0.00 0.00 35.03 32.99 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 0.04 0.41 -1.09 0.00 -0.00 -1.52 0.59 117.51 115.94 1n9c h ILE 33 Ca -0.36 0.00 0.31 0.00 -0.00 0.00 0.00 64.86 64.81 1n9c h ILE 33 Cb 2.03 0.61 -0.11 0.00 -0.00 0.00 0.00 36.82 39.35 1n9c h ILE 33 CO 0.14 0.00 0.68 -1.28 -0.00 0.00 0.00 178.15 177.69 1n9c h SER 34 N 0.00 0.44 0.00 2.16 0.87 -1.82 0.19 113.55 115.39 1n9c h SER 34 Ca 0.25 0.12 -0.08 0.00 -1.23 0.00 0.00 61.79 60.85 1n9c h SER 34 Cb 1.27 0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 63.27 1n9c h SER 34 CO -0.00 -0.01 -1.29 0.00 -0.53 0.00 0.00 176.83 175.00 1n9c n HIS 36 N -2.60 0.57 0.00 0.00 8.25 0.04 -0.32 115.22 121.16 1n9c n HIS 36 Ca -0.09 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.56 1n9c n HIS 36 Cb 0.60 -0.80 0.00 0.00 1.12 0.00 0.00 29.99 30.91 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 0.85 -0.79 0.36 -1.41 0.00 0.65 -0.37 105.19 104.49 1n9c n GLY 37 Ca 0.05 -1.50 -0.03 0.00 0.00 0.00 0.00 46.02 44.53 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 0.00 1.76 -0.02 0.00 -1.95 0.18 103.07 103.04 1n9c h GLY 38 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.81 1n9c h GLY 38 CO 0.00 -0.21 0.00 1.22 0.00 0.00 0.00 176.54 177.55 1n9c n ASP 39 N -5.46 0.00 -0.94 0.19 9.92 -1.26 -4.90 116.55 114.10 1n9c n ASP 39 Ca 0.07 0.14 -0.11 0.00 -0.53 0.00 0.00 54.79 54.36 1n9c n ASP 39 Cb 0.38 -0.38 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1n9c n ASP 39 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1n9c n LEU 40 N -1.38 -0.93 0.00 0.64 4.77 0.64 -4.64 117.00 116.11 1n9c n LEU 40 Ca 0.11 0.24 0.14 0.00 -0.03 0.00 0.00 56.01 56.48 1n9c n LEU 40 Cb 0.28 -1.81 0.74 0.00 -2.33 0.00 0.00 43.42 40.30 1n9c n LEU 40 CO 0.24 -0.54 1.01 0.35 -1.33 0.00 0.00 177.39 177.12 1n9c n THR 41 N -2.85 0.04 -0.34 -5.08 -2.24 -1.21 -0.82 114.28 101.78 1n9c n THR 41 Ca -0.12 0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1n9c n THR 41 Cb 0.41 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.11 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 1.19 -0.08 0.00 3.38 0.00 0.50 -3.92 105.19 106.26 1n9c n GLY 42 Ca 0.14 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 0.75 4.61 0.00 -0.92 -4.58 120.51 120.30 1n9c n ALA 43 Ca 0.00 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.52 1n9c n ALA 43 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 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 -1.91 3.16 -3.99 0.00 2.88 0.56 -4.96 113.62 109.36 1n9c n SER 44 Ca 0.00 -1.99 -0.09 0.00 -1.33 0.00 0.00 58.87 55.45 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 -1.81 0.19 0.89 -1.46 0.00 -1.20 -4.95 121.76 113.41 1n9c s ALA 45 Ca 0.32 -0.99 -0.10 0.00 0.00 0.00 0.00 51.96 51.18 1n9c s ALA 45 Cb 0.21 0.75 0.13 0.00 0.00 0.00 0.00 23.12 24.21 1n9c s ALA 45 CO 0.30 -0.57 1.12 -1.25 0.00 0.00 0.00 175.76 175.37 1n9c s PRO 46 N -3.96 1.25 -0.18 0.00 0.04 -1.26 -4.18 135.00 126.71 1n9c s PRO 46 Ca 0.16 1.39 -0.29 0.00 0.04 0.00 0.00 61.00 62.30 1n9c s PRO 46 Cb 0.05 -1.77 -0.05 0.00 0.04 0.00 0.00 34.50 32.78 1n9c s PRO 46 CO -0.02 -2.42 1.93 0.00 0.04 0.00 0.00 177.00 176.53 1n9c s ALA 47 N -2.72 3.09 -1.82 8.56 0.00 -1.25 -4.27 121.76 123.35 1n9c s ALA 47 Ca 0.65 0.74 0.22 0.00 0.00 0.00 0.00 51.96 53.58 1n9c s ALA 47 Cb -0.21 -3.95 -0.06 0.00 0.00 0.00 0.00 23.12 18.90 1n9c s ALA 47 CO 0.58 -2.26 1.05 0.44 0.00 0.00 0.00 175.76 175.56 1n9c n ILE 48 N 6.84 0.00 -0.36 0.00 -6.64 -0.00 -4.43 119.36 114.77 1n9c n ILE 48 Ca 0.24 -0.21 0.26 0.00 -1.77 0.00 0.00 62.75 61.27 1n9c n ILE 48 Cb 0.44 1.21 0.52 0.00 -1.44 0.00 0.00 39.64 40.37 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 1.94 0.44 -0.27 7.28 2.03 -1.25 0.15 116.42 126.73 1n9c h ASP 49 Ca 0.00 0.14 0.00 0.00 -0.73 0.00 0.00 57.03 56.44 1n9c h ASP 49 Cb 0.70 0.09 0.00 0.00 -0.83 0.00 0.00 39.33 39.29 1n9c h ASP 49 CO 0.00 -0.06 0.00 0.29 -1.03 0.00 0.00 179.24 178.44 1n9c n LYS 50 N -4.82 2.09 -0.29 4.15 5.02 -1.26 -4.38 118.16 118.67 1n9c n LYS 50 Ca 0.31 -1.94 0.23 0.00 -2.02 0.00 0.00 58.31 54.89 1n9c n LYS 50 Cb 1.04 -1.38 0.54 0.00 -0.02 0.00 0.00 35.03 35.22 1n9c n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n9c h ALA 51 N 3.30 2.32 -0.50 7.82 0.00 -0.92 0.24 119.26 131.53 1n9c h ALA 51 Ca 0.00 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.09 1n9c h ALA 51 Cb 0.79 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1n9c h ALA 51 CO 0.00 -0.68 0.36 0.78 0.00 0.00 0.00 179.25 179.71 1n9c h GLY 52 N 0.35 0.04 0.68 0.00 0.00 -1.70 0.36 103.07 102.80 1n9c h GLY 52 Ca 0.55 -0.01 -0.12 0.00 0.00 0.00 0.00 47.33 47.75 1n9c h GLY 52 CO -0.22 0.00 -0.47 0.00 0.00 0.00 0.00 176.54 175.85 1n9c h ALA 53 N 1.75 0.07 -0.11 3.60 0.00 -0.80 -3.38 119.26 120.39 1n9c h ALA 53 Ca 0.24 -0.53 -0.22 0.00 0.00 0.00 0.00 54.91 54.41 1n9c h ALA 53 Cb 0.92 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.74 1n9c h ALA 53 CO -0.01 0.26 -0.80 -0.91 0.00 0.00 0.00 179.25 177.79 1n9c h ASN 54 N -0.22 0.80 -4.70 0.00 4.21 -0.92 -3.46 115.58 111.30 1n9c h ASN 54 Ca -0.06 -0.54 -0.25 0.00 1.21 0.00 0.00 56.30 56.66 1n9c h ASN 54 Cb 1.19 -0.24 -0.18 0.00 -1.12 0.00 0.00 38.32 37.96 1n9c h ASN 54 CO 0.09 1.33 -0.72 -0.31 -1.29 0.00 0.00 177.43 176.53 1n9c s TYR 55 N -3.65 0.77 0.59 1.19 2.02 0.11 -5.10 117.35 113.28 1n9c s TYR 55 Ca -0.09 -0.68 -0.03 0.00 -0.37 0.00 0.00 57.07 55.91 1n9c s TYR 55 Cb 0.09 -0.45 0.03 0.00 -0.40 0.00 0.00 41.96 41.23 1n9c s TYR 55 CO 0.89 -0.11 0.86 -1.12 -1.57 0.00 0.00 175.55 174.50 1n9c s SER 56 N -2.20 5.27 0.25 2.29 0.01 -1.26 -4.05 113.70 114.00 1n9c s SER 56 Ca -0.01 0.31 -0.04 0.00 1.31 0.00 0.00 55.95 57.53 1n9c s SER 56 Cb -0.04 -1.19 0.45 0.00 0.21 0.00 0.00 66.02 65.45 1n9c s SER 56 CO -0.02 -1.21 1.76 1.05 0.41 0.00 0.00 173.24 175.23 1n9c h GLU 57 N -0.14 0.56 -0.24 12.44 -0.00 -1.90 -1.76 114.58 123.54 1n9c h GLU 57 Ca -0.44 -0.03 0.06 0.00 -0.00 0.00 0.00 59.36 58.94 1n9c h GLU 57 Cb 1.29 -0.13 -0.07 0.00 -0.00 0.00 0.00 28.75 29.84 1n9c h GLU 57 CO 0.57 0.37 -0.37 1.05 -0.00 0.00 0.00 179.01 180.63 1n9c h GLU 58 N 0.58 -0.37 -0.41 1.06 4.11 -1.94 0.19 114.58 117.81 1n9c h GLU 58 Ca 0.42 0.03 0.07 0.00 0.07 0.00 0.00 59.36 59.94 1n9c h GLU 58 Cb 0.55 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 29.82 1n9c h GLU 58 CO -0.34 -0.25 0.03 0.93 0.07 0.00 0.00 179.01 179.45 1n9c h GLU 59 N -0.38 0.13 0.01 1.06 4.39 -1.71 0.05 114.58 118.14 1n9c h GLU 59 Ca 0.11 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.80 1n9c h GLU 59 Cb 0.58 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.20 1n9c h GLU 59 CO -0.45 0.09 -0.01 0.82 -1.16 0.00 0.00 179.01 178.31 1n9c h ILE 60 N 0.14 1.12 -0.16 3.13 2.04 -0.90 0.78 117.51 123.66 1n9c h ILE 60 Ca 0.20 -0.40 0.05 0.00 1.00 0.00 0.00 64.86 65.71 1n9c h ILE 60 Cb 0.27 1.39 -0.07 0.00 -0.74 0.00 0.00 36.82 37.68 1n9c h ILE 60 CO -0.31 0.10 -0.35 0.25 0.00 0.00 0.00 178.15 177.84 1n9c h LEU 61 N -0.19 -1.10 -0.45 1.44 5.85 -0.25 0.12 115.31 120.73 1n9c h LEU 61 Ca -0.00 0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.89 1n9c h LEU 61 Cb 0.19 0.47 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 1n9c h LEU 61 CO 0.00 -0.38 0.29 0.44 -0.34 0.00 0.00 178.44 178.46 1n9c h ASP 62 N -0.41 0.49 -0.89 1.25 3.32 -0.86 -1.22 116.42 118.10 1n9c h ASP 62 Ca 0.10 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 57.17 1n9c h ASP 62 Cb 0.57 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.95 1n9c h ASP 62 CO -0.38 0.35 0.58 0.40 -1.72 0.00 0.00 179.24 178.47 1n9c h ILE 63 N 0.59 1.15 0.23 0.35 2.04 0.16 0.35 117.51 122.39 1n9c h ILE 63 Ca 0.17 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.63 1n9c h ILE 63 Cb -0.05 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 35.96 1n9c h ILE 63 CO -0.05 0.21 -0.11 0.40 0.00 0.00 0.00 178.15 178.60 1n9c h ILE 64 N 1.12 0.77 -0.43 -0.67 2.04 -0.33 0.31 117.51 120.33 1n9c h ILE 64 Ca 0.35 -0.01 -0.09 0.00 1.00 0.00 0.00 64.86 66.11 1n9c h ILE 64 Cb -0.00 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 36.84 1n9c h ILE 64 CO -0.12 0.00 -0.10 -0.07 0.00 0.00 0.00 178.15 177.87 1n9c h LEU 65 N -0.32 0.74 0.00 1.44 3.38 -0.39 0.97 115.31 121.13 1n9c h LEU 65 Ca -0.03 -0.21 -0.17 0.00 0.09 0.00 0.00 57.88 57.56 1n9c h LEU 65 Cb 0.24 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1n9c h LEU 65 CO 0.05 0.87 -1.07 0.59 0.09 0.00 0.00 178.44 178.97 1n9c n ASN 66 N -4.17 1.85 0.00 -0.43 3.02 0.12 -2.08 115.26 113.56 1n9c n ASN 66 Ca 0.01 0.48 0.00 0.00 -0.03 0.00 0.00 54.58 55.05 1n9c n ASN 66 Cb 0.35 -0.93 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 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 1.48 1.46 3.62 7.41 0.00 0.11 -3.59 105.19 115.68 1n9c n GLY 67 Ca -0.25 -1.01 -0.35 0.00 0.00 0.00 0.00 46.02 44.41 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 2.01 0.34 -1.60 1.61 -0.06 -1.23 -4.81 117.38 113.64 1n9c n GLN 68 Ca 0.00 0.18 -0.14 0.00 -2.00 0.00 0.00 57.00 55.04 1n9c n GLN 68 Cb 0.00 -2.26 -0.08 0.00 -4.06 0.00 0.00 30.24 23.84 1n9c n GLN 68 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 1n9c s GLY 69 N -1.82 -0.91 0.00 1.69 0.00 -1.26 -0.37 107.32 104.65 1n9c s GLY 69 Ca 0.72 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 44.39 1n9c s GLY 69 CO 0.52 4.24 0.00 0.61 0.00 0.00 0.00 173.10 178.46 1n9c n GLY 70 N 6.60 0.85 3.30 0.20 0.00 -1.26 -5.13 105.19 109.74 1n9c n GLY 70 Ca 0.45 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 3.24 0.24 1.61 0.00 0.50 -5.11 119.30 119.77 1n9c s MET 71 Ca 0.00 -0.77 -0.30 0.00 0.00 0.00 0.00 55.69 54.63 1n9c s MET 71 Cb 0.00 -2.51 -0.09 0.00 0.00 0.00 0.00 34.83 32.23 1n9c s MET 71 CO 0.00 0.17 1.29 -1.25 0.00 0.00 0.00 175.02 175.23 1n9c s PRO 72 N 0.42 4.41 0.51 4.11 0.04 -1.26 -3.59 135.00 139.63 1n9c s PRO 72 Ca -0.13 2.07 0.01 0.00 0.04 0.00 0.00 61.00 62.99 1n9c s PRO 72 Cb -0.17 -3.17 0.10 0.00 0.04 0.00 0.00 34.50 31.31 1n9c s PRO 72 CO 0.06 -0.19 0.70 0.41 0.04 0.00 0.00 177.00 178.01 1n9c n GLY 73 N 1.90 0.93 2.50 0.56 0.00 -1.24 -4.55 105.19 105.30 1n9c n GLY 73 Ca 0.04 -2.05 -0.04 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.46 0.60 0.28 -0.02 0.00 0.34 -4.85 105.19 101.07 1n9c n GLY 74 Ca 0.12 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 46.06 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 1.00 -3.94 -0.61 2.04 -1.80 -3.41 117.51 110.78 1n9c h ILE 75 Ca -0.09 -0.04 -0.19 0.00 1.00 0.00 0.00 64.86 65.54 1n9c h ILE 75 Cb 0.65 0.87 -0.22 0.00 -0.74 0.00 0.00 36.82 37.38 1n9c h ILE 75 CO 0.13 0.02 -0.71 0.00 0.00 0.00 0.00 178.15 177.59 1n9c s ALA 76 N -5.16 0.16 0.04 1.87 0.00 -1.26 -5.09 121.76 112.32 1n9c s ALA 76 Ca -0.06 -0.52 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 1n9c s ALA 76 Cb 0.17 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.37 1n9c s ALA 76 CO 0.69 -0.12 -0.03 0.15 0.00 0.00 0.00 175.76 176.45 1n9c s LYS 77 N -1.24 0.50 4.69 0.00 1.02 -1.26 -4.50 119.74 118.94 1n9c s LYS 77 Ca -0.13 -0.98 0.00 0.00 0.02 0.00 0.00 55.97 54.88 1n9c s LYS 77 Cb -0.08 0.16 0.00 0.00 -0.52 0.00 0.00 37.83 37.39 1n9c s LYS 77 CO -0.01 -0.08 0.00 0.41 -0.92 0.00 0.00 175.35 174.75 1n9c n GLY 78 N 0.69 2.66 0.42 -3.33 0.00 -1.26 -2.26 105.19 102.11 1n9c n GLY 78 Ca -0.18 -0.32 0.35 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.76 2.53 0.37 4.61 0.00 -1.99 0.29 119.26 124.32 1n9c h ALA 79 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1n9c h ALA 79 Cb 0.00 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1n9c h ALA 79 CO 0.00 -1.22 -0.41 1.49 0.00 0.00 0.00 179.25 179.11 1n9c h GLU 80 N 0.07 -0.76 -0.41 0.00 4.81 -1.80 0.11 114.58 116.59 1n9c h GLU 80 Ca 0.83 0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.99 1n9c h GLU 80 Cb 2.46 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 32.00 1n9c h GLU 80 CO -0.54 -0.51 -0.24 0.00 -0.73 0.00 0.00 179.01 176.99 1n9c h ALA 81 N -1.04 0.79 -0.16 2.92 0.00 -0.62 -1.95 119.26 119.21 1n9c h ALA 81 Ca -0.05 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.50 1n9c h ALA 81 Cb 0.69 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1n9c h ALA 81 CO -0.07 0.65 0.03 0.93 0.00 0.00 0.00 179.25 180.79 1n9c h GLU 82 N 0.73 0.09 -0.28 0.00 5.08 -0.89 0.17 114.58 119.49 1n9c h GLU 82 Ca 0.10 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.49 1n9c h GLU 82 Cb 0.78 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.97 1n9c h GLU 82 CO 0.06 0.06 0.04 0.00 -1.00 0.00 0.00 179.01 178.17 1n9c h ALA 83 N 1.12 0.27 -0.19 3.43 0.00 -0.65 -1.63 119.26 121.62 1n9c h ALA 83 Ca 0.07 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1n9c h ALA 83 Cb 0.07 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 1n9c h ALA 83 CO -0.10 -0.38 -0.27 0.28 0.00 0.00 0.00 179.25 178.78 1n9c h VAL 84 N 0.13 0.35 -0.33 0.00 2.07 -0.81 -1.18 116.25 116.48 1n9c h VAL 84 Ca 0.13 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.71 1n9c h VAL 84 Cb 0.14 0.35 -0.08 0.00 -1.52 0.00 0.00 31.29 30.18 1n9c h VAL 84 CO -0.18 0.00 -0.40 0.00 0.02 0.00 0.00 177.57 177.00 1n9c h ALA 85 N 0.63 -0.42 0.21 1.67 0.00 0.23 0.29 119.26 121.88 1n9c h ALA 85 Ca 0.12 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1n9c h ALA 85 Cb 0.49 0.82 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1n9c h ALA 85 CO -0.37 -0.85 -0.25 0.00 0.00 0.00 0.00 179.25 177.78 1n9c h ALA 86 N 0.42 -0.49 -0.24 0.00 0.00 -1.24 -1.00 119.26 116.71 1n9c h ALA 86 Ca 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1n9c h ALA 86 Cb 0.58 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1n9c h ALA 86 CO -0.52 -0.81 0.15 2.35 0.00 0.00 0.00 179.25 180.42 1n9c h TRP 87 N -0.51 0.30 -0.54 0.00 7.01 -0.41 0.13 115.95 121.92 1n9c h TRP 87 Ca 0.00 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.97 1n9c h TRP 87 Cb 0.49 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 27.43 1n9c h TRP 87 CO -0.18 0.20 0.19 1.25 -2.79 0.00 0.00 178.44 177.11 1n9c h LEU 88 N 0.31 0.77 -0.71 0.65 6.46 -0.44 0.95 115.31 123.31 1n9c h LEU 88 Ca 0.09 -0.19 0.09 0.00 -0.12 0.00 0.00 57.88 57.75 1n9c h LEU 88 Cb -0.02 -0.20 -0.07 0.00 -0.73 0.00 0.00 40.66 39.64 1n9c h LEU 88 CO -0.02 0.75 0.35 0.00 -0.62 0.00 0.00 178.44 178.91 1n9c h ALA 89 N 1.05 0.97 0.00 1.25 0.00 -0.85 -1.05 119.26 120.63 1n9c h ALA 89 Ca 0.18 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1n9c h ALA 89 Cb 0.24 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1n9c h ALA 89 CO -0.01 -0.04 0.00 -1.91 0.00 0.00 0.00 179.25 177.29 1n9c n GLU 90 N -4.86 0.06 0.18 0.00 2.13 0.43 -3.19 120.64 115.38 1n9c n GLU 90 Ca 0.11 0.20 0.13 0.00 0.66 0.00 0.00 57.16 58.26 1n9c n GLU 90 Cb 0.27 -1.59 0.43 0.00 0.27 0.00 0.00 31.44 30.82 1n9c n GLU 90 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1n9c h LYS 91 N 0.00 0.00 0.00 5.31 3.11 0.53 -3.50 116.57 122.02 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 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.62 1n9c h LYS 91 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 179.45 177.00