#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 5.78 0.15 4.52 1.11 -1.26 -4.82 116.67 122.14 1n9c s ASP 23 Ca 0.00 0.29 -0.21 0.00 0.18 0.00 0.00 52.55 52.81 1n9c s ASP 23 Cb 0.00 -2.54 0.03 0.00 1.07 0.00 0.00 42.92 41.48 1n9c s ASP 23 CO 0.00 -1.99 1.66 0.00 1.18 0.00 0.00 175.17 176.02 1n9c h ALA 24 N 12.58 0.01 -0.58 5.23 0.00 -1.93 0.64 119.26 135.22 1n9c h ALA 24 Ca -0.27 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1n9c h ALA 24 Cb 1.12 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 1n9c h ALA 24 CO 1.20 -0.58 0.32 1.05 0.00 0.00 0.00 179.25 181.24 1n9c h GLU 25 N -0.15 0.80 -0.39 0.00 4.11 -1.91 -2.25 114.58 114.79 1n9c h GLU 25 Ca 0.14 -0.09 0.04 0.00 0.07 0.00 0.00 59.36 59.52 1n9c h GLU 25 Cb 0.36 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 1n9c h GLU 25 CO -0.34 0.60 0.16 0.00 0.07 0.00 0.00 179.01 179.50 1n9c h ALA 26 N 1.15 0.47 -0.31 1.06 0.00 -1.35 0.37 119.26 120.66 1n9c h ALA 26 Ca 0.20 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.19 1n9c h ALA 26 Cb 0.03 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.75 1n9c h ALA 26 CO -0.03 -0.23 -0.41 0.28 0.00 0.00 0.00 179.25 178.86 1n9c h VAL 27 N 0.33 0.00 -0.64 0.00 2.07 -0.92 -1.56 116.25 115.52 1n9c h VAL 27 Ca 0.18 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.62 1n9c h VAL 27 Cb 0.13 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 1n9c h VAL 27 CO -0.16 0.00 0.11 0.58 0.02 0.00 0.00 177.57 178.12 1n9c h VAL 28 N -0.29 1.26 0.00 2.57 2.07 -0.28 0.63 116.25 122.21 1n9c h VAL 28 Ca 0.05 -1.01 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1n9c h VAL 28 Cb 0.44 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.88 1n9c h VAL 28 CO -0.44 0.38 0.00 0.00 0.02 0.00 0.00 177.57 177.52 1n9c n GLN 29 N -4.26 0.11 0.00 1.57 1.13 0.11 -0.97 117.38 115.06 1n9c n GLN 29 Ca 0.04 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 1n9c n GLN 29 Cb 0.28 -1.48 0.00 0.00 0.11 0.00 0.00 30.24 29.15 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 1.86 -0.00 -1.09 7.27 0.37 -4.86 117.38 119.94 1n9c n GLN 30 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 57.00 57.09 1n9c n GLN 30 Cb 0.01 -0.17 -0.01 0.00 2.41 0.00 0.00 30.24 32.48 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 -0.15 2.26 -0.04 3.69 5.02 0.19 -4.76 118.16 124.38 1n9c n LYS 31 Ca 0.00 -0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.23 1n9c n LYS 31 Cb 0.00 -1.02 -0.04 0.00 -0.02 0.00 0.00 35.03 33.96 1n9c n LYS 31 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1n9c h ILE 33 N 0.00 0.44 -1.54 0.00 3.07 -1.56 0.16 117.51 118.08 1n9c h ILE 33 Ca -0.17 -0.04 0.45 0.00 1.55 0.00 0.00 64.86 66.65 1n9c h ILE 33 Cb 1.27 0.31 -0.07 0.00 -0.27 0.00 0.00 36.82 38.05 1n9c h ILE 33 CO -0.03 0.02 1.10 -1.28 -1.05 0.00 0.00 178.15 176.92 1n9c h SER 34 N 0.13 0.03 0.00 2.16 0.87 -1.81 0.17 113.55 115.10 1n9c h SER 34 Ca 0.57 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 61.15 1n9c h SER 34 Cb 2.00 0.01 0.00 0.00 -0.44 0.00 0.00 62.40 63.97 1n9c h SER 34 CO -0.11 -0.01 -0.87 0.00 -0.53 0.00 0.00 176.83 175.31 1n9c n HIS 36 N -2.59 0.01 0.00 0.00 8.25 0.34 -0.17 115.22 121.06 1n9c n HIS 36 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1n9c n HIS 36 Cb 0.43 -0.51 0.00 0.00 1.12 0.00 0.00 29.99 31.04 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 0.29 2.27 1.67 -1.41 0.00 0.58 -0.69 105.19 107.91 1n9c n GLY 37 Ca 0.04 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 -1.79 0.14 -0.02 0.00 -1.26 -4.60 105.19 97.66 1n9c n GLY 38 Ca 0.00 0.45 0.11 0.00 0.00 0.00 0.00 46.02 46.58 1n9c n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1n9c n ASP 39 N -2.99 0.43 -1.52 1.61 9.92 -1.26 -4.87 116.55 117.87 1n9c n ASP 39 Ca 0.00 -1.41 -0.15 0.00 -0.53 0.00 0.00 54.79 52.69 1n9c n ASP 39 Cb 0.00 -0.02 -0.03 0.00 -0.64 0.00 0.00 41.12 40.43 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 -0.54 -1.46 0.05 0.64 7.99 -1.26 -4.52 117.00 117.90 1n9c n LEU 40 Ca 0.16 0.15 0.11 0.00 -0.01 0.00 0.00 56.01 56.43 1n9c n LEU 40 Cb 0.14 -2.28 0.45 0.00 -0.11 0.00 0.00 43.42 41.62 1n9c n LEU 40 CO 0.13 -0.43 0.85 0.35 -1.51 0.00 0.00 177.39 176.77 1n9c n THR 41 N -3.40 0.61 -0.27 -5.08 -2.24 -1.23 -0.66 114.28 102.01 1n9c n THR 41 Ca -0.17 0.08 0.00 0.00 -2.27 0.00 0.00 64.05 61.69 1n9c n THR 41 Cb 0.58 -0.82 0.00 0.00 -2.10 0.00 0.00 70.33 67.99 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 0.66 -0.64 0.00 3.38 0.00 0.13 -3.97 105.19 104.75 1n9c n GLY 42 Ca 0.05 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.00 0.00 1.14 4.61 0.00 -0.92 -4.67 120.51 120.67 1n9c n ALA 43 Ca 0.00 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.52 1n9c n ALA 43 Cb 0.00 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.81 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 -1.48 2.09 -3.91 0.00 2.88 0.76 -4.89 113.62 109.07 1n9c n SER 44 Ca 0.00 -1.73 -0.09 0.00 -1.33 0.00 0.00 58.87 55.72 1n9c n SER 44 Cb 0.00 -0.08 -0.08 0.00 -0.75 0.00 0.00 64.21 63.30 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 -1.85 -0.07 0.95 -1.46 0.00 -1.19 -4.91 121.76 113.23 1n9c s ALA 45 Ca 0.34 -0.70 -0.11 0.00 0.00 0.00 0.00 51.96 51.50 1n9c s ALA 45 Cb 0.20 0.40 0.16 0.00 0.00 0.00 0.00 23.12 23.88 1n9c s ALA 45 CO 0.30 -0.45 1.11 -1.25 0.00 0.00 0.00 175.76 175.47 1n9c s PRO 46 N -3.61 0.75 0.11 0.00 0.04 -1.26 -4.25 135.00 126.78 1n9c s PRO 46 Ca 0.03 1.28 -0.31 0.00 0.04 0.00 0.00 61.00 62.04 1n9c s PRO 46 Cb 0.04 -1.72 -0.09 0.00 0.04 0.00 0.00 34.50 32.77 1n9c s PRO 46 CO -0.09 -2.73 1.70 0.00 0.04 0.00 0.00 177.00 175.92 1n9c s ALA 47 N -2.67 3.74 -0.41 8.56 0.00 -1.25 -4.29 121.76 125.44 1n9c s ALA 47 Ca 0.66 1.33 0.04 0.00 0.00 0.00 0.00 51.96 53.98 1n9c s ALA 47 Cb -0.22 -3.71 0.02 0.00 0.00 0.00 0.00 23.12 19.21 1n9c s ALA 47 CO 0.59 -1.08 0.51 0.44 0.00 0.00 0.00 175.76 176.22 1n9c n ILE 48 N 4.58 0.00 -0.31 0.00 -6.64 0.17 -4.62 119.36 112.54 1n9c n ILE 48 Ca 0.16 -0.48 0.13 0.00 -1.77 0.00 0.00 62.75 60.79 1n9c n ILE 48 Cb 0.39 1.06 0.27 0.00 -1.44 0.00 0.00 39.64 39.93 1n9c n ILE 48 CO 0.00 0.00 0.00 -0.78 -1.77 0.00 0.00 176.55 174.00 1n9c h ASP 49 N 0.59 -0.23 -0.24 7.28 3.58 -1.16 0.14 116.42 126.38 1n9c h ASP 49 Ca 0.00 0.23 0.00 0.00 0.42 0.00 0.00 57.03 57.68 1n9c h ASP 49 Cb 0.14 0.36 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1n9c h ASP 49 CO 0.00 -0.24 0.00 0.29 -2.88 0.00 0.00 179.24 176.41 1n9c n LYS 50 N -5.34 2.09 -0.23 0.28 4.01 -1.26 -4.38 118.16 113.33 1n9c n LYS 50 Ca 0.21 -1.64 0.21 0.00 -0.51 0.00 0.00 58.31 56.58 1n9c n LYS 50 Cb 0.69 -1.45 0.55 0.00 -0.51 0.00 0.00 35.03 34.31 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 4.30 2.32 0.00 7.82 0.00 -0.98 0.43 119.26 133.15 1n9c h ALA 51 Ca 0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 1n9c h ALA 51 Cb 0.73 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1n9c h ALA 51 CO 0.00 -0.60 -0.19 0.78 0.00 0.00 0.00 179.25 179.23 1n9c h GLY 52 N 0.33 0.00 0.74 0.00 0.00 -1.71 0.38 103.07 102.80 1n9c h GLY 52 Ca 0.47 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.66 1n9c h GLY 52 CO -0.15 0.00 -0.51 0.00 0.00 0.00 0.00 176.54 175.88 1n9c h ALA 53 N 1.81 0.09 -0.15 3.60 0.00 -0.50 -3.38 119.26 120.72 1n9c h ALA 53 Ca -0.00 -0.53 -0.20 0.00 0.00 0.00 0.00 54.91 54.17 1n9c h ALA 53 Cb 0.37 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.19 1n9c h ALA 53 CO 0.02 0.30 -0.69 -0.91 0.00 0.00 0.00 179.25 177.97 1n9c h ASN 54 N -0.14 0.87 -4.01 0.00 -0.26 -0.64 -3.47 115.58 107.93 1n9c h ASN 54 Ca -0.06 -0.63 -0.39 0.00 -0.56 0.00 0.00 56.30 54.67 1n9c h ASN 54 Cb 1.21 -0.26 -0.14 0.00 -1.06 0.00 0.00 38.32 38.07 1n9c h ASN 54 CO 0.10 1.35 -0.62 -0.31 -1.06 0.00 0.00 177.43 176.89 1n9c s TYR 55 N -3.75 1.67 0.38 1.19 2.02 0.13 -5.07 117.35 113.90 1n9c s TYR 55 Ca -0.11 -1.07 0.08 0.00 -0.37 0.00 0.00 57.07 55.60 1n9c s TYR 55 Cb 0.08 -1.02 -0.03 0.00 -0.40 0.00 0.00 41.96 40.59 1n9c s TYR 55 CO 0.88 -0.18 0.28 -1.12 -1.57 0.00 0.00 175.55 173.85 1n9c s SER 56 N -3.36 4.99 0.28 2.29 0.01 -1.26 -4.14 113.70 112.50 1n9c s SER 56 Ca 0.36 -0.71 0.02 0.00 1.31 0.00 0.00 55.95 56.93 1n9c s SER 56 Cb 0.08 -0.72 0.64 0.00 0.21 0.00 0.00 66.02 66.23 1n9c s SER 56 CO 0.13 -0.48 1.74 1.05 0.41 0.00 0.00 173.24 176.10 1n9c h GLU 57 N 1.24 0.55 -0.39 12.44 9.09 -1.92 -1.13 114.58 134.46 1n9c h GLU 57 Ca -0.43 -0.03 0.08 0.00 0.05 0.00 0.00 59.36 59.03 1n9c h GLU 57 Cb 1.26 -0.12 -0.08 0.00 -1.65 0.00 0.00 28.75 28.15 1n9c h GLU 57 CO 0.60 0.37 -0.14 1.05 0.05 0.00 0.00 179.01 180.93 1n9c h GLU 58 N 0.57 -0.06 0.23 1.06 9.09 -1.96 0.24 114.58 123.75 1n9c h GLU 58 Ca 0.52 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.92 1n9c h GLU 58 Cb 0.84 0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.96 1n9c h GLU 58 CO -0.42 -0.04 -0.11 0.93 0.05 0.00 0.00 179.01 179.42 1n9c h GLU 59 N -0.06 -0.30 -0.24 1.06 4.39 -1.62 -0.20 114.58 117.61 1n9c h GLU 59 Ca 0.19 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.90 1n9c h GLU 59 Cb 0.36 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1n9c h GLU 59 CO -0.43 -0.13 0.11 0.82 -1.16 0.00 0.00 179.01 178.22 1n9c h ILE 60 N -0.40 1.15 -0.22 3.13 2.04 -1.14 -0.27 117.51 121.80 1n9c h ILE 60 Ca -0.03 -0.43 0.06 0.00 1.00 0.00 0.00 64.86 65.46 1n9c h ILE 60 Cb 0.31 0.99 -0.07 0.00 -0.74 0.00 0.00 36.82 37.31 1n9c h ILE 60 CO 0.05 0.15 -0.27 0.25 0.00 0.00 0.00 178.15 178.33 1n9c h LEU 61 N 0.25 -0.86 -0.32 1.44 5.85 -0.44 0.15 115.31 121.39 1n9c h LEU 61 Ca 0.08 0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.99 1n9c h LEU 61 Cb 0.13 0.39 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 1n9c h LEU 61 CO -0.01 -0.30 0.08 -0.78 -0.34 0.00 0.00 178.44 177.09 1n9c h ASP 62 N -0.29 0.05 -0.48 1.25 3.58 -0.57 0.34 116.42 120.31 1n9c h ASP 62 Ca 0.13 0.04 0.03 0.00 0.42 0.00 0.00 57.03 57.65 1n9c h ASP 62 Cb 0.49 0.05 -0.04 0.00 1.72 0.00 0.00 39.33 41.55 1n9c h ASP 62 CO -0.39 0.07 0.27 0.40 -2.88 0.00 0.00 179.24 176.71 1n9c h ILE 63 N 0.20 1.02 -0.24 2.25 2.04 -0.12 0.44 117.51 123.10 1n9c h ILE 63 Ca 0.15 -0.19 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1n9c h ILE 63 Cb 0.14 0.43 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 1n9c h ILE 63 CO -0.18 0.10 0.12 0.40 0.00 0.00 0.00 178.15 178.60 1n9c h ILE 64 N 0.54 1.00 0.00 -0.67 2.04 -0.11 0.51 117.51 120.82 1n9c h ILE 64 Ca 0.20 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.90 1n9c h ILE 64 Cb 0.05 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 1n9c h ILE 64 CO -0.11 0.05 -0.33 -0.07 0.00 0.00 0.00 178.15 177.69 1n9c h LEU 65 N 0.26 0.00 0.00 1.44 3.38 -0.10 0.11 115.31 120.40 1n9c h LEU 65 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1n9c h LEU 65 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1n9c h LEU 65 CO -0.06 0.33 -0.70 0.59 0.09 0.00 0.00 178.44 178.69 1n9c n ASN 66 N -3.55 1.66 0.00 -0.43 3.02 0.15 -3.54 115.26 112.57 1n9c n ASN 66 Ca -0.00 0.27 0.00 0.00 -0.03 0.00 0.00 54.58 54.82 1n9c n ASN 66 Cb 0.46 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 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 2.03 0.92 3.42 7.41 0.00 0.18 -4.28 105.19 114.87 1n9c n GLY 67 Ca -0.10 -2.00 -0.10 0.00 0.00 0.00 0.00 46.02 43.82 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 -1.34 1.23 0.00 1.61 2.00 -1.09 -4.51 119.66 117.57 1n9c s GLN 68 Ca 0.00 -0.91 0.00 0.00 -2.00 0.00 0.00 55.36 52.45 1n9c s GLN 68 Cb 0.00 0.47 0.00 0.00 0.80 0.00 0.00 33.01 34.28 1n9c s GLN 68 CO 0.00 -0.49 0.00 0.41 -0.50 0.00 0.00 175.29 174.71 1n9c n GLY 69 N -0.27 0.00 1.22 2.59 0.00 -1.26 0.10 105.19 107.57 1n9c n GLY 69 Ca -0.11 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.00 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 2.00 3.60 -0.02 0.00 -1.26 -4.90 105.19 104.62 1n9c n GLY 70 Ca 0.00 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.48 4.01 0.28 1.61 0.00 0.11 -4.99 119.30 118.85 1n9c s MET 71 Ca 0.41 0.00 -0.02 0.00 0.00 0.00 0.00 55.69 56.08 1n9c s MET 71 Cb 0.24 -3.65 0.41 0.00 0.00 0.00 0.00 34.83 31.82 1n9c s MET 71 CO 0.24 -0.26 1.85 -1.00 0.00 0.00 0.00 175.02 175.85 1n9c h PRO 72 N 8.18 0.89 -0.14 4.11 0.13 -1.91 -2.88 132.00 140.38 1n9c h PRO 72 Ca -0.32 -0.15 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1n9c h PRO 72 Cb 1.17 -0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 1n9c h PRO 72 CO 0.63 0.74 -0.05 0.41 -0.23 0.00 0.00 178.00 179.51 1n9c n GLY 73 N -0.97 -2.34 2.56 1.56 0.00 -1.26 -4.52 105.19 100.22 1n9c n GLY 73 Ca 0.05 -1.46 -0.12 0.00 0.00 0.00 0.00 46.02 44.50 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 -2.32 1.20 0.30 -0.02 0.00 0.38 -4.84 105.19 99.90 1n9c n GLY 74 Ca -0.00 -0.18 0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 0.97 -3.69 -0.61 2.04 -1.91 -3.41 117.51 110.90 1n9c h ILE 75 Ca -0.24 -0.06 -0.22 0.00 1.00 0.00 0.00 64.86 65.34 1n9c h ILE 75 Cb 0.98 0.79 -0.28 0.00 -0.74 0.00 0.00 36.82 37.57 1n9c h ILE 75 CO 0.35 0.03 -0.69 0.00 0.00 0.00 0.00 178.15 177.83 1n9c s ALA 76 N -5.19 -0.05 0.10 1.87 0.00 -1.26 -5.08 121.76 112.15 1n9c s ALA 76 Ca -0.06 0.04 -0.01 0.00 0.00 0.00 0.00 51.96 51.93 1n9c s ALA 76 Cb 0.18 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 23.23 1n9c s ALA 76 CO 0.70 -0.01 0.01 0.15 0.00 0.00 0.00 175.76 176.61 1n9c s LYS 77 N -0.03 0.80 4.94 0.00 1.02 -1.26 -4.28 119.74 120.93 1n9c s LYS 77 Ca -0.00 -1.35 0.00 0.00 0.02 0.00 0.00 55.97 54.64 1n9c s LYS 77 Cb -0.00 0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.48 1n9c s LYS 77 CO 0.00 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.66 1n9c n GLY 78 N -0.01 2.74 0.41 -3.33 0.00 -1.26 -2.11 105.19 101.62 1n9c n GLY 78 Ca -0.09 -0.31 0.30 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.79 2.39 0.79 4.61 0.00 -1.99 0.17 119.26 124.44 1n9c h ALA 79 Ca 0.00 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1n9c h ALA 79 Cb 0.00 0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1n9c h ALA 79 CO 0.00 -0.99 -0.41 1.49 0.00 0.00 0.00 179.25 179.34 1n9c h GLU 80 N 0.20 -1.06 -0.56 0.00 4.81 -1.78 0.12 114.58 116.30 1n9c h GLU 80 Ca 0.76 0.07 -0.07 0.00 -0.13 0.00 0.00 59.36 59.99 1n9c h GLU 80 Cb 2.12 0.24 -0.02 0.00 0.63 0.00 0.00 28.75 31.72 1n9c h GLU 80 CO -0.48 -0.71 0.07 0.00 -0.73 0.00 0.00 179.01 177.16 1n9c h ALA 81 N -0.92 0.75 0.07 2.92 0.00 -0.78 -0.27 119.26 121.03 1n9c h ALA 81 Ca -0.11 -0.26 0.02 0.00 0.00 0.00 0.00 54.91 54.56 1n9c h ALA 81 Cb 0.86 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1n9c h ALA 81 CO 0.15 0.52 -0.25 0.93 0.00 0.00 0.00 179.25 180.61 1n9c h GLU 82 N 0.84 -0.41 -0.12 0.00 5.08 -0.95 0.17 114.58 119.20 1n9c h GLU 82 Ca 0.17 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.60 1n9c h GLU 82 Cb 0.45 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 1n9c h GLU 82 CO 0.02 -0.27 -0.29 0.00 -1.00 0.00 0.00 179.01 177.46 1n9c h ALA 83 N 0.36 -0.32 -0.02 3.43 0.00 -0.55 -0.62 119.26 121.55 1n9c h ALA 83 Ca 0.04 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.99 1n9c h ALA 83 Cb 0.47 0.55 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1n9c h ALA 83 CO -0.17 -0.76 -0.16 0.28 0.00 0.00 0.00 179.25 178.43 1n9c h VAL 84 N -0.37 0.00 -0.54 0.00 2.07 -0.64 -1.09 116.25 115.68 1n9c h VAL 84 Ca 0.10 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.70 1n9c h VAL 84 Cb 0.51 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.21 1n9c h VAL 84 CO -0.33 0.00 0.15 0.00 0.02 0.00 0.00 177.57 177.41 1n9c h ALA 85 N -1.14 0.64 0.63 1.67 0.00 -0.39 0.34 119.26 121.01 1n9c h ALA 85 Ca 0.01 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1n9c h ALA 85 Cb 0.21 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1n9c h ALA 85 CO -0.12 -0.26 -0.44 0.00 0.00 0.00 0.00 179.25 178.43 1n9c h ALA 86 N 1.40 -1.08 -0.78 0.00 0.00 -1.05 0.16 119.26 117.89 1n9c h ALA 86 Ca 0.27 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 55.10 1n9c h ALA 86 Cb 0.35 0.58 -0.08 0.00 0.00 0.00 0.00 17.79 18.63 1n9c h ALA 86 CO -0.32 -1.13 0.39 2.35 0.00 0.00 0.00 179.25 180.54 1n9c h TRP 87 N -1.03 0.68 -0.32 0.00 7.01 -0.54 0.34 115.95 122.09 1n9c h TRP 87 Ca -0.08 0.03 -0.17 0.00 2.11 0.00 0.00 58.89 60.78 1n9c h TRP 87 Cb 0.85 -0.19 -0.00 0.00 -2.10 0.00 0.00 29.16 27.72 1n9c h TRP 87 CO -0.15 0.19 -0.48 1.25 -2.79 0.00 0.00 178.44 176.46 1n9c h LEU 88 N 0.60 0.94 -1.05 0.65 7.12 -0.07 0.94 115.31 124.44 1n9c h LEU 88 Ca 0.41 -0.47 0.09 0.00 0.13 0.00 0.00 57.88 58.04 1n9c h LEU 88 Cb 0.53 -0.27 -0.07 0.00 -0.53 0.00 0.00 40.66 40.32 1n9c h LEU 88 CO -0.33 1.26 0.63 0.00 -0.13 0.00 0.00 178.44 179.87 1n9c h ALA 89 N 0.77 1.49 0.00 1.25 0.00 -0.13 -1.85 119.26 120.79 1n9c h ALA 89 Ca 0.03 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1n9c h ALA 89 Cb 1.07 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1n9c h ALA 89 CO 0.11 0.32 0.00 1.05 0.00 0.00 0.00 179.25 180.73 1n9c h GLU 90 N 1.06 0.00 0.00 0.00 4.11 0.29 -3.34 114.58 116.70 1n9c h GLU 90 Ca 0.45 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.88 1n9c h GLU 90 Cb 0.33 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1n9c h GLU 90 CO -0.20 0.00 -0.01 -0.22 0.07 0.00 0.00 179.01 178.64 1n9c h LYS 91 N 0.00 0.00 0.00 1.06 3.11 0.02 -3.51 116.57 117.25 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 0.60 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.83 1n9c h LYS 91 CO 0.00 0.01 0.00 0.36 -2.81 0.00 0.00 179.45 177.01