#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 5.77 0.16 4.52 1.11 -1.26 -4.89 116.67 122.09 1n9c s ASP 23 Ca 0.00 0.42 -0.25 0.00 0.18 0.00 0.00 52.55 52.90 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 -1.96 1.59 0.00 1.18 0.00 0.00 175.17 175.97 1n9c h ALA 24 N 12.73 -0.30 -0.89 5.23 0.00 -1.94 0.15 119.26 134.25 1n9c h ALA 24 Ca -0.28 0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.76 1n9c h ALA 24 Cb 1.13 0.79 -0.06 0.00 0.00 0.00 0.00 17.79 19.65 1n9c h ALA 24 CO 1.18 -0.79 0.57 1.05 0.00 0.00 0.00 179.25 181.25 1n9c h GLU 25 N -0.29 1.05 -0.85 0.00 4.11 -1.90 -1.57 114.58 115.12 1n9c h GLU 25 Ca 0.16 -0.06 0.05 0.00 0.07 0.00 0.00 59.36 59.58 1n9c h GLU 25 Cb 0.56 -0.24 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 1n9c h GLU 25 CO -0.55 0.69 0.53 0.00 0.07 0.00 0.00 179.01 179.75 1n9c h ALA 26 N 1.38 1.15 0.06 1.06 0.00 -1.15 0.33 119.26 122.10 1n9c h ALA 26 Ca 0.36 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.28 1n9c h ALA 26 Cb 0.06 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1n9c h ALA 26 CO -0.14 0.30 -0.45 0.28 0.00 0.00 0.00 179.25 179.25 1n9c h VAL 27 N 0.99 0.11 -0.42 0.00 2.07 -0.20 -1.30 116.25 117.50 1n9c h VAL 27 Ca 0.36 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.74 1n9c h VAL 27 Cb 0.12 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1n9c h VAL 27 CO -0.16 0.00 -0.29 0.58 0.02 0.00 0.00 177.57 177.72 1n9c h VAL 28 N -0.64 1.27 0.00 2.57 2.07 -0.11 0.44 116.25 121.86 1n9c h VAL 28 Ca 0.03 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.09 1n9c h VAL 28 Cb 0.69 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.71 1n9c h VAL 28 CO -0.29 0.49 0.00 0.00 0.02 0.00 0.00 177.57 177.79 1n9c n GLN 29 N -4.08 0.11 0.00 1.57 1.13 0.88 -1.10 117.38 115.89 1n9c n GLN 29 Ca -0.01 0.01 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 1n9c n GLN 29 Cb 0.50 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.35 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 -1.01 0.88 -0.00 -1.09 7.27 0.04 -4.83 117.38 118.63 1n9c n GLN 30 Ca 0.03 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.12 1n9c n GLN 30 Cb 0.01 -0.07 -0.04 0.00 2.41 0.00 0.00 30.24 32.55 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 0.94 0.00 3.69 4.01 0.13 -4.83 118.16 122.11 1n9c n LYS 31 Ca 0.00 -0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.76 1n9c n LYS 31 Cb 0.00 -1.07 0.00 0.00 -0.51 0.00 0.00 35.03 33.45 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 0.00 0.32 -0.79 0.00 3.07 -1.43 0.36 117.51 119.04 1n9c h ILE 33 Ca 0.00 0.00 0.23 0.00 1.55 0.00 0.00 64.86 66.64 1n9c h ILE 33 Cb 0.64 0.70 -0.03 0.00 -0.27 0.00 0.00 36.82 37.85 1n9c h ILE 33 CO 0.00 0.00 0.71 0.77 -1.05 0.00 0.00 178.15 178.58 1n9c h SER 34 N 0.00 0.00 0.00 2.16 4.64 -1.83 0.30 113.55 118.82 1n9c h SER 34 Ca 0.14 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.38 1n9c h SER 34 Cb 0.87 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.94 1n9c h SER 34 CO -0.00 0.00 -1.29 0.00 -0.87 0.00 0.00 176.83 174.67 1n9c n HIS 36 N -2.81 0.00 0.00 0.00 8.25 -0.08 -0.33 115.22 120.25 1n9c n HIS 36 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1n9c n HIS 36 Cb 0.59 -0.50 0.00 0.00 1.12 0.00 0.00 29.99 31.20 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 0.13 1.97 2.03 -1.41 0.00 0.10 -0.50 105.19 107.52 1n9c n GLY 37 Ca 0.04 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.33 -0.02 0.00 -1.26 -4.58 105.19 97.87 1n9c n GLY 38 Ca 0.00 0.39 0.10 0.00 0.00 0.00 0.00 46.02 46.51 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 -3.40 1.00 -0.43 1.61 9.92 -1.26 -4.88 116.55 119.10 1n9c n ASP 39 Ca 0.00 -1.58 -0.05 0.00 -0.53 0.00 0.00 54.79 52.63 1n9c n ASP 39 Cb 0.00 -0.06 -0.02 0.00 -0.64 0.00 0.00 41.12 40.40 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 -0.13 -0.47 0.06 0.64 4.77 -1.26 -4.55 117.00 116.07 1n9c n LEU 40 Ca 0.16 0.12 0.12 0.00 -0.03 0.00 0.00 56.01 56.38 1n9c n LEU 40 Cb 0.23 -1.11 0.47 0.00 -2.33 0.00 0.00 43.42 40.68 1n9c n LEU 40 CO 0.12 -0.26 0.88 0.35 -1.33 0.00 0.00 177.39 177.15 1n9c n THR 41 N -2.94 0.52 -0.13 -5.08 -2.24 -1.20 -0.51 114.28 102.69 1n9c n THR 41 Ca -0.05 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 1n9c n THR 41 Cb 0.21 -0.73 0.00 0.00 -2.10 0.00 0.00 70.33 67.71 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 0.91 0.24 0.00 3.38 0.00 0.35 -4.02 105.19 106.05 1n9c n GLY 42 Ca 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.03 0.00 1.06 4.61 0.00 -0.86 -4.68 120.51 120.61 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 0.31 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.40 2.34 -3.94 0.00 2.88 0.55 -4.91 113.62 109.15 1n9c n SER 44 Ca 0.00 -1.79 -0.09 0.00 -1.33 0.00 0.00 58.87 55.67 1n9c n SER 44 Cb 0.00 -0.08 -0.08 0.00 -0.75 0.00 0.00 64.21 63.31 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 0.02 0.95 -1.46 0.00 -1.19 -4.92 121.76 113.30 1n9c s ALA 45 Ca 0.34 -0.83 -0.11 0.00 0.00 0.00 0.00 51.96 51.35 1n9c s ALA 45 Cb 0.20 0.60 0.16 0.00 0.00 0.00 0.00 23.12 24.09 1n9c s ALA 45 CO 0.30 -0.53 1.09 -1.25 0.00 0.00 0.00 175.76 175.37 1n9c s PRO 46 N -3.91 0.78 -0.05 0.00 0.04 -1.26 -4.23 135.00 126.37 1n9c s PRO 46 Ca 0.10 1.02 -0.30 0.00 0.04 0.00 0.00 61.00 61.87 1n9c s PRO 46 Cb 0.05 -1.74 -0.06 0.00 0.04 0.00 0.00 34.50 32.79 1n9c s PRO 46 CO -0.07 -2.62 1.67 0.00 0.04 0.00 0.00 177.00 176.01 1n9c s ALA 47 N -2.76 3.62 -0.95 8.56 0.00 -1.26 -4.25 121.76 124.73 1n9c s ALA 47 Ca 0.65 0.96 0.09 0.00 0.00 0.00 0.00 51.96 53.66 1n9c s ALA 47 Cb -0.21 -3.75 0.02 0.00 0.00 0.00 0.00 23.12 19.19 1n9c s ALA 47 CO 0.59 -1.39 0.67 0.44 0.00 0.00 0.00 175.76 176.06 1n9c n ILE 48 N 5.45 0.00 -0.31 0.00 -6.64 0.33 -4.43 119.36 113.77 1n9c n ILE 48 Ca 0.17 -0.44 0.29 0.00 -1.77 0.00 0.00 62.75 61.00 1n9c n ILE 48 Cb 0.43 1.14 0.64 0.00 -1.44 0.00 0.00 39.64 40.40 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 1.30 0.20 -0.23 7.28 3.58 -1.12 0.13 116.42 127.56 1n9c h ASP 49 Ca 0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1n9c h ASP 49 Cb 0.34 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.39 1n9c h ASP 49 CO 0.00 0.04 0.00 0.29 -2.88 0.00 0.00 179.24 176.69 1n9c n LYS 50 N -4.40 2.23 -0.29 0.28 4.01 -1.26 -4.56 118.16 114.17 1n9c n LYS 50 Ca 0.25 -2.03 0.08 0.00 -0.51 0.00 0.00 58.31 56.10 1n9c n LYS 50 Cb 1.05 -1.45 0.31 0.00 -0.51 0.00 0.00 35.03 34.43 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 4.14 1.66 -0.10 7.82 0.00 -0.94 0.20 119.26 132.05 1n9c h ALA 51 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.94 1n9c h ALA 51 Cb 0.92 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 1n9c h ALA 51 CO 0.00 0.13 0.09 0.78 0.00 0.00 0.00 179.25 180.26 1n9c h GLY 52 N 0.86 0.00 0.38 0.00 0.00 -1.70 0.28 103.07 102.90 1n9c h GLY 52 Ca 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.67 1n9c h GLY 52 CO -0.20 0.00 -0.42 0.00 0.00 0.00 0.00 176.54 175.92 1n9c h ALA 53 N 1.91 -0.04 -0.04 3.60 0.00 -0.90 -3.40 119.26 120.39 1n9c h ALA 53 Ca 0.05 -0.59 -0.13 0.00 0.00 0.00 0.00 54.91 54.24 1n9c h ALA 53 Cb 0.23 0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.08 1n9c h ALA 53 CO -0.00 0.19 -0.47 -0.91 0.00 0.00 0.00 179.25 178.06 1n9c h ASN 54 N -0.64 0.49 -3.10 0.00 2.35 -0.78 -3.47 115.58 110.44 1n9c h ASN 54 Ca -0.07 -0.71 -0.55 0.00 -0.55 0.00 0.00 56.30 54.42 1n9c h ASN 54 Cb 1.31 -0.15 -0.16 0.00 0.05 0.00 0.00 38.32 39.37 1n9c h ASN 54 CO 0.08 1.12 -0.77 -0.31 -1.65 0.00 0.00 177.43 175.90 1n9c s TYR 55 N -3.42 1.99 0.51 1.19 2.02 0.93 -5.09 117.35 115.49 1n9c s TYR 55 Ca -0.14 -0.44 -0.03 0.00 -0.37 0.00 0.00 57.07 56.09 1n9c s TYR 55 Cb 0.04 -0.94 -0.00 0.00 -0.40 0.00 0.00 41.96 40.65 1n9c s TYR 55 CO 0.80 0.46 0.78 -1.12 -1.57 0.00 0.00 175.55 174.90 1n9c s SER 56 N -3.01 5.80 0.23 2.29 0.01 -1.26 -4.09 113.70 113.68 1n9c s SER 56 Ca 0.21 0.56 -0.06 0.00 1.31 0.00 0.00 55.95 57.97 1n9c s SER 56 Cb -0.05 -1.71 0.38 0.00 0.21 0.00 0.00 66.02 64.85 1n9c s SER 56 CO 0.09 -0.83 1.76 1.05 0.41 0.00 0.00 173.24 175.72 1n9c h GLU 57 N 0.14 0.52 -0.36 12.44 -0.00 -1.91 -1.21 114.58 124.19 1n9c h GLU 57 Ca -0.46 -0.03 0.08 0.00 -0.00 0.00 0.00 59.36 58.95 1n9c h GLU 57 Cb 1.25 -0.12 -0.09 0.00 -0.00 0.00 0.00 28.75 29.79 1n9c h GLU 57 CO 0.59 0.35 -0.26 1.05 -0.00 0.00 0.00 179.01 180.74 1n9c h GLU 58 N 0.54 -0.20 -0.11 1.06 4.11 -1.94 0.20 114.58 118.24 1n9c h GLU 58 Ca 0.37 0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.82 1n9c h GLU 58 Cb 0.46 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 1n9c h GLU 58 CO -0.32 -0.13 0.07 0.93 0.07 0.00 0.00 179.01 179.63 1n9c h GLU 59 N -0.21 0.14 0.21 1.06 5.08 -1.63 0.40 114.58 119.64 1n9c h GLU 59 Ca 0.18 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1n9c h GLU 59 Cb 0.48 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1n9c h GLU 59 CO -0.48 0.10 -0.10 0.82 -1.00 0.00 0.00 179.01 178.34 1n9c h ILE 60 N 0.15 0.82 -0.27 3.13 2.04 -0.86 0.79 117.51 123.30 1n9c h ILE 60 Ca 0.04 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 65.83 1n9c h ILE 60 Cb -0.01 0.90 -0.08 0.00 -0.74 0.00 0.00 36.82 36.89 1n9c h ILE 60 CO -0.01 0.03 -0.39 0.25 0.00 0.00 0.00 178.15 178.02 1n9c h LEU 61 N -0.35 -1.27 -0.41 1.44 5.85 -0.49 0.11 115.31 120.20 1n9c h LEU 61 Ca -0.03 0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.91 1n9c h LEU 61 Cb 0.27 0.55 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 1n9c h LEU 61 CO 0.05 -0.38 0.21 -0.78 -0.34 0.00 0.00 178.44 177.20 1n9c h ASP 62 N -0.38 0.31 -0.90 1.25 3.58 -0.70 -0.58 116.42 119.01 1n9c h ASP 62 Ca 0.12 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.60 1n9c h ASP 62 Cb 0.59 -0.04 -0.05 0.00 1.72 0.00 0.00 39.33 41.55 1n9c h ASP 62 CO -0.48 0.23 0.59 0.40 -2.88 0.00 0.00 179.24 177.10 1n9c h ILE 63 N 0.42 1.22 0.16 2.25 2.04 0.11 0.36 117.51 124.07 1n9c h ILE 63 Ca 0.17 -0.41 -0.01 0.00 1.00 0.00 0.00 64.86 65.61 1n9c h ILE 63 Cb 0.07 -0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.06 1n9c h ILE 63 CO -0.11 0.22 -0.08 0.40 0.00 0.00 0.00 178.15 178.58 1n9c h ILE 64 N 1.20 0.91 -0.25 -0.67 2.04 -0.13 0.37 117.51 120.98 1n9c h ILE 64 Ca 0.33 -0.31 -0.05 0.00 1.00 0.00 0.00 64.86 65.83 1n9c h ILE 64 Cb -0.11 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.06 1n9c h ILE 64 CO -0.08 0.07 -0.06 -0.07 0.00 0.00 0.00 178.15 178.02 1n9c h LEU 65 N -0.36 0.37 0.00 1.44 3.38 -0.20 0.15 115.31 120.10 1n9c h LEU 65 Ca -0.02 -0.07 -0.41 0.00 0.09 0.00 0.00 57.88 57.46 1n9c h LEU 65 Cb 0.29 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.87 1n9c h LEU 65 CO 0.04 0.48 -2.48 0.59 0.09 0.00 0.00 178.44 177.16 1n9c n ASN 66 N -4.28 1.98 -0.18 -0.43 3.02 0.12 -1.97 115.26 113.51 1n9c n ASN 66 Ca 0.00 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.59 1n9c n ASN 66 Cb 0.26 -0.56 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 1.91 0.12 3.64 7.41 0.00 0.13 -4.02 105.19 114.39 1n9c n GLY 67 Ca -0.49 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.19 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 2.41 1.35 0.00 1.61 -0.06 -1.21 -4.84 117.38 116.64 1n9c n GLN 68 Ca 0.00 0.49 0.00 0.00 -2.00 0.00 0.00 57.00 55.49 1n9c n GLN 68 Cb 0.00 -2.22 0.00 0.00 -4.06 0.00 0.00 30.24 23.96 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 1.10 0.00 0.04 1.69 0.00 -1.26 0.14 105.19 106.90 1n9c n GLY 69 Ca 0.10 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.51 -1.45 3.77 -0.02 0.00 -1.26 -4.87 105.19 100.84 1n9c n GLY 70 Ca 0.00 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.44 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 -3.07 4.34 0.81 1.61 0.00 0.12 -5.07 119.30 118.04 1n9c s MET 71 Ca 0.10 0.80 -0.12 0.00 0.00 0.00 0.00 55.69 56.47 1n9c s MET 71 Cb 0.16 -3.33 0.08 0.00 0.00 0.00 0.00 34.83 31.74 1n9c s MET 71 CO 0.64 0.39 1.15 -1.25 0.00 0.00 0.00 175.02 175.96 1n9c s PRO 72 N -0.31 1.77 0.06 4.11 0.04 -1.26 -3.92 135.00 135.50 1n9c s PRO 72 Ca 0.32 1.50 0.06 0.00 0.04 0.00 0.00 61.00 62.93 1n9c s PRO 72 Cb -0.19 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.50 1n9c s PRO 72 CO 0.19 -2.06 -0.13 0.20 0.04 0.00 0.00 177.00 175.24 1n9c s GLY 73 N -2.66 1.70 -0.71 0.56 0.00 -1.26 -4.11 107.32 100.84 1n9c s GLY 73 Ca 0.68 -1.19 0.00 0.00 0.00 0.00 0.00 44.72 44.21 1n9c s GLY 73 CO 0.53 -1.11 0.00 0.61 0.00 0.00 0.00 173.10 173.13 1n9c n GLY 74 N 1.20 0.39 0.36 0.20 0.00 0.04 -4.85 105.19 102.53 1n9c n GLY 74 Ca -0.15 -0.62 0.11 0.00 0.00 0.00 0.00 46.02 45.37 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 -4.03 -0.61 2.04 -1.79 -3.41 117.51 110.59 1n9c h ILE 75 Ca -0.17 -0.20 -0.17 0.00 1.00 0.00 0.00 64.86 65.32 1n9c h ILE 75 Cb 0.90 0.26 -0.20 0.00 -0.74 0.00 0.00 36.82 37.04 1n9c h ILE 75 CO 0.22 0.11 -0.70 0.00 0.00 0.00 0.00 178.15 177.78 1n9c s ALA 76 N -5.55 0.25 0.11 1.87 0.00 -1.26 -5.04 121.76 112.13 1n9c s ALA 76 Ca -0.09 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 1n9c s ALA 76 Cb 0.20 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.47 1n9c s ALA 76 CO 0.77 -0.20 0.11 0.15 0.00 0.00 0.00 175.76 176.59 1n9c s LYS 77 N -2.03 0.87 4.68 0.00 1.02 -1.26 -4.40 119.74 118.62 1n9c s LYS 77 Ca -0.10 -1.21 0.00 0.00 0.02 0.00 0.00 55.97 54.67 1n9c s LYS 77 Cb -0.06 0.28 0.00 0.00 -0.52 0.00 0.00 37.83 37.53 1n9c s LYS 77 CO -0.03 -0.25 0.00 0.41 -0.92 0.00 0.00 175.35 174.56 1n9c n GLY 78 N -0.05 2.77 0.43 -3.33 0.00 -1.26 -1.63 105.19 102.12 1n9c n GLY 78 Ca -0.10 -0.24 0.30 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.70 2.48 0.52 4.61 0.00 -1.99 0.69 119.26 124.87 1n9c h ALA 79 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1n9c h ALA 79 Cb 0.00 0.12 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1n9c h ALA 79 CO 0.00 -1.00 -0.25 1.49 0.00 0.00 0.00 179.25 179.49 1n9c h GLU 80 N 0.23 -0.67 -0.44 0.00 4.81 -1.69 0.18 114.58 117.01 1n9c h GLU 80 Ca 0.71 0.05 -0.09 0.00 -0.13 0.00 0.00 59.36 59.90 1n9c h GLU 80 Cb 2.05 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 31.56 1n9c h GLU 80 CO -0.37 -0.39 -0.07 0.00 -0.73 0.00 0.00 179.01 177.45 1n9c h ALA 81 N -0.40 0.60 -0.32 2.92 0.00 -1.06 -2.28 119.26 118.73 1n9c h ALA 81 Ca -0.07 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.56 1n9c h ALA 81 Cb 0.58 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1n9c h ALA 81 CO 0.12 0.46 0.12 0.93 0.00 0.00 0.00 179.25 180.88 1n9c h GLU 82 N 0.66 0.26 -0.42 0.00 5.08 -0.94 0.16 114.58 119.39 1n9c h GLU 82 Ca 0.12 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 1n9c h GLU 82 Cb 0.60 -0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.71 1n9c h GLU 82 CO 0.04 0.17 -0.09 0.00 -1.00 0.00 0.00 179.01 178.13 1n9c h ALA 83 N 1.19 0.29 0.42 3.43 0.00 -0.51 -0.17 119.26 123.91 1n9c h ALA 83 Ca 0.14 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 1n9c h ALA 83 Cb 0.09 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1n9c h ALA 83 CO -0.13 -0.44 -0.39 0.28 0.00 0.00 0.00 179.25 178.57 1n9c h VAL 84 N 0.01 0.21 -0.57 0.00 2.07 -0.77 -0.87 116.25 116.33 1n9c h VAL 84 Ca 0.20 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.81 1n9c h VAL 84 Cb 0.31 0.21 -0.11 0.00 -1.52 0.00 0.00 31.29 30.18 1n9c h VAL 84 CO -0.42 0.00 -0.41 0.00 0.02 0.00 0.00 177.57 176.76 1n9c h ALA 85 N -0.43 -0.27 0.34 1.67 0.00 0.33 0.45 119.26 121.34 1n9c h ALA 85 Ca -0.04 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1n9c h ALA 85 Cb 0.72 0.91 -0.00 0.00 0.00 0.00 0.00 17.79 19.42 1n9c h ALA 85 CO -0.05 -0.79 -0.21 0.00 0.00 0.00 0.00 179.25 178.20 1n9c h ALA 86 N 0.69 -0.51 0.42 0.00 0.00 -1.04 0.29 119.26 119.12 1n9c h ALA 86 Ca 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1n9c h ALA 86 Cb 0.56 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.61 1n9c h ALA 86 CO -0.68 -0.80 -0.20 2.35 0.00 0.00 0.00 179.25 179.92 1n9c h TRP 87 N -0.52 -0.53 -0.96 0.00 7.01 -0.30 0.60 115.95 121.25 1n9c h TRP 87 Ca -0.04 -0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.01 1n9c h TRP 87 Cb 0.43 0.17 -0.06 0.00 -2.10 0.00 0.00 29.16 27.60 1n9c h TRP 87 CO -0.09 -0.27 0.62 1.25 -2.79 0.00 0.00 178.44 177.16 1n9c h LEU 88 N -0.69 1.00 -0.16 0.65 6.46 -0.18 0.17 115.31 122.56 1n9c h LEU 88 Ca -0.06 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.74 1n9c h LEU 88 Cb 0.50 -0.21 -0.04 0.00 -0.73 0.00 0.00 40.66 40.18 1n9c h LEU 88 CO 0.10 0.65 -0.07 0.00 -0.62 0.00 0.00 178.44 178.50 1n9c h ALA 89 N 1.43 0.08 0.00 1.25 0.00 -0.72 -2.44 119.26 118.86 1n9c h ALA 89 Ca 0.41 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1n9c h ALA 89 Cb 0.13 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1n9c h ALA 89 CO -0.16 -0.50 0.00 -0.85 0.00 0.00 0.00 179.25 177.74 1n9c n GLU 90 N -5.21 0.07 0.20 0.00 -0.00 0.18 -2.84 120.64 113.05 1n9c n GLU 90 Ca -0.03 0.15 0.14 0.00 -0.00 0.00 0.00 57.16 57.42 1n9c n GLU 90 Cb 0.13 -1.50 0.63 0.00 -0.00 0.00 0.00 31.44 30.70 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 -0.24 -3.51 116.57 119.38 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 0.29 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.52 1n9c h LYS 91 CO 0.00 0.00 0.00 0.36 -2.81 0.00 0.00 179.45 177.00