#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 6.18 0.17 4.52 1.11 -1.26 -4.85 116.67 122.53 1n9c s ASP 23 Ca 0.00 -0.41 -0.21 0.00 0.18 0.00 0.00 52.55 52.10 1n9c s ASP 23 Cb 0.00 -2.20 0.07 0.00 1.07 0.00 0.00 42.92 41.86 1n9c s ASP 23 CO 0.00 -0.42 1.62 0.00 1.18 0.00 0.00 175.17 177.55 1n9c h ALA 24 N 8.56 -0.06 -0.57 5.23 0.00 -1.93 0.32 119.26 130.80 1n9c h ALA 24 Ca -0.29 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 1n9c h ALA 24 Cb 1.13 0.59 -0.03 0.00 0.00 0.00 0.00 17.79 19.49 1n9c h ALA 24 CO 0.73 -0.65 0.26 1.05 0.00 0.00 0.00 179.25 180.63 1n9c h GLU 25 N -0.21 0.82 -0.98 0.00 4.11 -1.91 -2.60 114.58 113.82 1n9c h GLU 25 Ca 0.18 -0.13 0.05 0.00 0.07 0.00 0.00 59.36 59.53 1n9c h GLU 25 Cb 0.49 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.54 1n9c h GLU 25 CO -0.50 0.68 0.63 0.00 0.07 0.00 0.00 179.01 179.90 1n9c h ALA 26 N 1.10 1.33 0.10 1.06 0.00 -0.89 0.28 119.26 122.24 1n9c h ALA 26 Ca 0.19 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1n9c h ALA 26 Cb 0.14 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.59 1n9c h ALA 26 CO -0.02 0.46 -0.34 0.28 0.00 0.00 0.00 179.25 179.62 1n9c h VAL 27 N 1.18 0.00 -0.68 0.00 2.07 -0.65 -2.49 116.25 115.67 1n9c h VAL 27 Ca 0.41 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.86 1n9c h VAL 27 Cb 0.11 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.85 1n9c h VAL 27 CO -0.15 0.00 0.16 0.58 0.02 0.00 0.00 177.57 178.17 1n9c h VAL 28 N -0.50 1.26 0.00 2.57 2.07 -0.64 0.45 116.25 121.46 1n9c h VAL 28 Ca -0.01 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.54 1n9c h VAL 28 Cb 0.49 0.58 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1n9c h VAL 28 CO -0.17 0.37 0.00 0.00 0.02 0.00 0.00 177.57 177.79 1n9c n GLN 29 N -4.26 0.06 0.00 1.57 1.13 0.81 -1.11 117.38 115.58 1n9c n GLN 29 Ca 0.05 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.11 1n9c n GLN 29 Cb 0.26 -1.46 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 -0.96 2.45 -0.07 -1.09 7.27 0.34 -4.88 117.38 120.44 1n9c n GLN 30 Ca 0.01 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.03 1n9c n GLN 30 Cb 0.01 -0.73 -0.13 0.00 2.41 0.00 0.00 30.24 31.80 1n9c n GLN 30 CO 0.00 0.00 0.00 1.17 0.07 0.00 0.00 177.06 178.30 1n9c n LYS 31 N -0.97 1.28 0.00 3.69 3.00 0.13 -4.73 118.16 120.56 1n9c n LYS 31 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 58.31 58.28 1n9c n LYS 31 Cb 0.13 -1.40 0.00 0.00 0.00 0.00 0.00 35.03 33.76 1n9c n LYS 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1n9c h ILE 33 N 0.00 0.45 -0.84 0.00 3.07 -1.49 0.19 117.51 118.89 1n9c h ILE 33 Ca 0.00 -0.03 0.32 0.00 1.55 0.00 0.00 64.86 66.70 1n9c h ILE 33 Cb 0.99 0.36 -0.15 0.00 -0.27 0.00 0.00 36.82 37.75 1n9c h ILE 33 CO 0.00 0.01 0.32 -1.20 -1.05 0.00 0.00 178.15 176.24 1n9c n SER 34 N -4.28 0.18 -0.02 2.16 7.64 -1.26 -0.14 113.62 117.89 1n9c n SER 34 Ca 0.25 1.40 -0.03 0.00 1.01 0.00 0.00 58.87 61.49 1n9c n SER 34 Cb 1.14 -0.63 -0.02 0.00 -1.01 0.00 0.00 64.21 63.69 1n9c n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n9c h HIS 36 N -0.04 0.00 0.00 0.00 3.86 -1.06 0.27 115.15 118.18 1n9c h HIS 36 Ca -0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.11 1n9c h HIS 36 Cb 1.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.60 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 0.11 0.26 0.35 2.45 0.00 0.80 -0.70 105.19 108.45 1n9c n GLY 37 Ca 0.02 -1.60 -0.04 0.00 0.00 0.00 0.00 46.02 44.39 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 -0.05 -0.05 -0.02 0.00 -1.95 0.17 103.07 101.16 1n9c h GLY 38 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1n9c h GLY 38 CO 0.00 -0.21 0.00 1.34 0.00 0.00 0.00 176.54 177.67 1n9c n ASP 39 N -5.44 0.98 -1.38 0.19 2.03 -1.26 -4.91 116.55 106.75 1n9c n ASP 39 Ca 0.05 -1.41 -0.14 0.00 0.52 0.00 0.00 54.79 53.81 1n9c n ASP 39 Cb 0.36 -0.02 -0.03 0.00 -0.72 0.00 0.00 41.12 40.71 1n9c n ASP 39 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1n9c n LEU 40 N -0.20 -1.36 -0.12 -2.67 4.77 0.59 -4.69 117.00 113.31 1n9c n LEU 40 Ca 0.19 0.17 0.14 0.00 -0.03 0.00 0.00 56.01 56.48 1n9c n LEU 40 Cb 0.25 -2.16 0.62 0.00 -2.33 0.00 0.00 43.42 39.80 1n9c n LEU 40 CO 0.15 -0.44 0.88 0.35 -1.33 0.00 0.00 177.39 177.00 1n9c n THR 41 N -3.32 0.00 -0.18 -5.08 -2.24 -1.24 -0.99 114.28 101.23 1n9c n THR 41 Ca -0.16 -0.06 0.00 0.00 -2.27 0.00 0.00 64.05 61.56 1n9c n THR 41 Cb 0.55 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 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 1.27 0.59 0.00 3.38 0.00 0.13 -4.02 105.19 106.52 1n9c n GLY 42 Ca 0.15 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.08 -0.01 0.90 4.61 0.00 -0.35 -4.58 120.51 121.00 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 0.02 0.00 0.21 0.00 0.00 0.00 0.00 19.45 19.68 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 -0.74 2.82 -4.01 0.00 7.64 0.93 -4.92 113.62 115.35 1n9c n SER 44 Ca 0.00 -1.91 -0.09 0.00 1.01 0.00 0.00 58.87 57.89 1n9c n SER 44 Cb 0.00 -0.08 -0.08 0.00 -1.01 0.00 0.00 64.21 63.04 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 -1.84 0.26 0.91 -0.43 0.00 -1.13 -4.91 121.76 114.61 1n9c s ALA 45 Ca 0.33 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 51.15 1n9c s ALA 45 Cb 0.21 0.63 0.14 0.00 0.00 0.00 0.00 23.12 24.10 1n9c s ALA 45 CO 0.31 -0.51 1.09 -1.25 0.00 0.00 0.00 175.76 175.40 1n9c s PRO 46 N -3.95 1.14 -0.18 0.00 0.04 -1.26 -4.17 135.00 126.62 1n9c s PRO 46 Ca 0.13 0.89 -0.29 0.00 0.04 0.00 0.00 61.00 61.77 1n9c s PRO 46 Cb 0.06 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.77 1n9c s PRO 46 CO -0.05 -2.34 1.78 0.00 0.04 0.00 0.00 177.00 176.43 1n9c s ALA 47 N -2.88 3.21 -2.51 8.56 0.00 -1.26 -4.30 121.76 122.59 1n9c s ALA 47 Ca 0.64 0.65 0.21 0.00 0.00 0.00 0.00 51.96 53.45 1n9c s ALA 47 Cb -0.19 -3.90 0.14 0.00 0.00 0.00 0.00 23.12 19.18 1n9c s ALA 47 CO 0.57 -2.06 1.14 0.44 0.00 0.00 0.00 175.76 175.85 1n9c n ILE 48 N 6.54 0.00 -0.33 0.00 -6.64 -0.54 -4.30 119.36 114.10 1n9c n ILE 48 Ca 0.21 -0.47 0.24 0.00 -1.77 0.00 0.00 62.75 60.96 1n9c n ILE 48 Cb 0.45 1.41 0.45 0.00 -1.44 0.00 0.00 39.64 40.51 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 3.86 0.05 -0.39 7.28 3.58 -1.34 0.70 116.42 130.16 1n9c h ASP 49 Ca 0.00 0.25 0.00 0.00 0.42 0.00 0.00 57.03 57.70 1n9c h ASP 49 Cb 0.85 0.33 0.00 0.00 1.72 0.00 0.00 39.33 42.22 1n9c h ASP 49 CO 0.00 -0.36 0.00 0.29 -2.88 0.00 0.00 179.24 176.29 1n9c n LYS 50 N -5.31 2.52 -0.30 0.28 4.01 -1.26 -4.44 118.16 113.66 1n9c n LYS 50 Ca 0.31 -2.29 0.12 0.00 -0.51 0.00 0.00 58.31 55.94 1n9c n LYS 50 Cb 1.03 -1.52 0.30 0.00 -0.51 0.00 0.00 35.03 34.33 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 4.53 1.41 0.00 7.82 0.00 -1.06 0.32 119.26 132.28 1n9c h ALA 51 Ca 0.00 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1n9c h ALA 51 Cb 0.99 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 1n9c h ALA 51 CO 0.00 -0.31 -0.08 0.78 0.00 0.00 0.00 179.25 179.65 1n9c h GLY 52 N 0.43 0.00 0.46 0.00 0.00 -1.67 0.31 103.07 102.60 1n9c h GLY 52 Ca 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.82 1n9c h GLY 52 CO -0.50 0.00 -0.23 0.00 0.00 0.00 0.00 176.54 175.80 1n9c h ALA 53 N 1.92 0.04 -0.08 3.60 0.00 -0.73 -3.39 119.26 120.63 1n9c h ALA 53 Ca -0.00 -0.45 -0.24 0.00 0.00 0.00 0.00 54.91 54.22 1n9c h ALA 53 Cb 0.18 0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1n9c h ALA 53 CO 0.01 0.07 -0.89 -0.91 0.00 0.00 0.00 179.25 177.53 1n9c h ASN 54 N -0.49 0.88 -4.30 0.00 2.35 -0.59 -3.46 115.58 109.96 1n9c h ASN 54 Ca -0.03 -0.63 -0.29 0.00 -0.55 0.00 0.00 56.30 54.81 1n9c h ASN 54 Cb 0.97 -0.26 -0.15 0.00 0.05 0.00 0.00 38.32 38.94 1n9c h ASN 54 CO 0.05 1.43 -0.69 -0.31 -1.65 0.00 0.00 177.43 176.25 1n9c s TYR 55 N -3.54 1.15 0.18 1.19 2.02 0.10 -5.08 117.35 113.38 1n9c s TYR 55 Ca -0.09 -0.89 0.03 0.00 -0.37 0.00 0.00 57.07 55.75 1n9c s TYR 55 Cb 0.08 -0.64 -0.03 0.00 -0.40 0.00 0.00 41.96 40.97 1n9c s TYR 55 CO 0.91 -0.08 0.32 -1.12 -1.57 0.00 0.00 175.55 174.01 1n9c s SER 56 N -3.14 6.34 0.24 2.29 0.01 -1.26 -4.02 113.70 114.16 1n9c s SER 56 Ca 0.18 0.17 -0.13 0.00 1.31 0.00 0.00 55.95 57.48 1n9c s SER 56 Cb 0.05 -1.91 0.31 0.00 0.21 0.00 0.00 66.02 64.68 1n9c s SER 56 CO 0.00 -0.00 1.58 1.05 0.41 0.00 0.00 173.24 176.29 1n9c h GLU 57 N 1.81 -0.02 -0.94 12.44 -0.00 -1.91 0.19 114.58 126.13 1n9c h GLU 57 Ca -0.49 0.00 0.16 0.00 -0.00 0.00 0.00 59.36 59.03 1n9c h GLU 57 Cb 1.21 0.01 -0.16 0.00 -0.00 0.00 0.00 28.75 29.80 1n9c h GLU 57 CO 0.66 -0.02 -0.34 1.05 -0.00 0.00 0.00 179.01 180.37 1n9c h GLU 58 N -0.02 -0.02 -0.14 1.06 4.11 -1.95 0.29 114.58 117.90 1n9c h GLU 58 Ca 0.37 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.78 1n9c h GLU 58 Cb 0.60 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 1n9c h GLU 58 CO -0.85 -0.01 0.03 0.93 0.07 0.00 0.00 179.01 179.18 1n9c h GLU 59 N -0.02 0.24 -0.15 1.06 5.08 -1.05 -1.23 114.58 118.52 1n9c h GLU 59 Ca 0.37 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.67 1n9c h GLU 59 Cb 0.63 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 1n9c h GLU 59 CO -0.96 0.42 0.08 0.82 -1.00 0.00 0.00 179.01 178.37 1n9c h ILE 60 N 0.02 1.10 -0.27 3.13 2.04 -0.57 0.19 117.51 123.15 1n9c h ILE 60 Ca 0.04 -0.28 0.06 0.00 1.00 0.00 0.00 64.86 65.68 1n9c h ILE 60 Cb 0.29 1.02 -0.08 0.00 -0.74 0.00 0.00 36.82 37.31 1n9c h ILE 60 CO 0.00 0.09 -0.39 0.25 0.00 0.00 0.00 178.15 178.10 1n9c h LEU 61 N 0.14 -1.28 -0.33 1.44 5.85 -0.44 0.17 115.31 120.86 1n9c h LEU 61 Ca 0.05 0.19 0.05 0.00 0.84 0.00 0.00 57.88 59.01 1n9c h LEU 61 Cb 0.08 0.55 -0.04 0.00 0.37 0.00 0.00 40.66 41.62 1n9c h LEU 61 CO -0.01 -0.38 0.07 -0.78 -0.34 0.00 0.00 178.44 177.00 1n9c h ASP 62 N -0.38 0.02 -0.78 1.25 3.58 -0.85 -0.64 116.42 118.62 1n9c h ASP 62 Ca 0.12 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.63 1n9c h ASP 62 Cb 0.59 0.07 -0.04 0.00 1.72 0.00 0.00 39.33 41.67 1n9c h ASP 62 CO -0.48 0.05 0.52 0.40 -2.88 0.00 0.00 179.24 176.85 1n9c h ILE 63 N 0.19 1.20 0.10 2.25 2.04 0.00 0.36 117.51 123.64 1n9c h ILE 63 Ca 0.16 -0.36 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 1n9c h ILE 63 Cb 0.17 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.29 1n9c h ILE 63 CO -0.20 0.19 -0.05 0.40 0.00 0.00 0.00 178.15 178.50 1n9c h ILE 64 N 1.06 0.92 -0.52 -0.67 2.04 -0.20 0.48 117.51 120.62 1n9c h ILE 64 Ca 0.29 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 66.05 1n9c h ILE 64 Cb -0.12 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 36.88 1n9c h ILE 64 CO -0.06 0.01 0.11 -0.07 0.00 0.00 0.00 178.15 178.13 1n9c h LEU 65 N -0.15 0.76 0.00 1.44 3.38 -0.38 0.16 115.31 120.52 1n9c h LEU 65 Ca -0.01 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 1n9c h LEU 65 Cb 0.12 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1n9c h LEU 65 CO 0.02 0.76 -1.05 0.59 0.09 0.00 0.00 178.44 178.85 1n9c n ASN 66 N -4.27 1.90 0.00 -0.43 3.02 0.12 -2.28 115.26 113.32 1n9c n ASN 66 Ca 0.04 0.42 0.00 0.00 -0.03 0.00 0.00 54.58 55.01 1n9c n ASN 66 Cb 0.24 -0.80 0.00 0.00 -0.61 0.00 0.00 39.78 38.61 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 0.95 3.24 7.41 0.00 0.17 -4.22 105.19 114.22 1n9c n GLY 67 Ca -0.18 -2.01 -0.09 0.00 0.00 0.00 0.00 46.02 43.74 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 -1.21 0.97 0.00 1.61 2.00 -1.17 -4.53 119.66 117.34 1n9c s GLN 68 Ca 0.00 -1.16 0.00 0.00 -2.00 0.00 0.00 55.36 52.20 1n9c s GLN 68 Cb 0.00 0.33 0.00 0.00 0.80 0.00 0.00 33.01 34.14 1n9c s GLN 68 CO 0.00 -0.32 0.11 0.41 -0.50 0.00 0.00 175.29 175.00 1n9c n GLY 69 N -0.12 -0.64 1.98 2.59 0.00 -1.26 -0.20 105.19 107.54 1n9c n GLY 69 Ca -0.10 0.13 -0.20 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.69 4.16 3.07 -0.02 0.00 -1.26 -4.88 105.19 105.56 1n9c n GLY 70 Ca 0.00 -1.03 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 -2.60 2.35 0.26 1.61 0.00 0.73 -5.05 119.30 116.59 1n9c s MET 71 Ca 0.45 -0.61 -0.04 0.00 0.00 0.00 0.00 55.69 55.49 1n9c s MET 71 Cb 0.37 -2.00 0.32 0.00 0.00 0.00 0.00 34.83 33.52 1n9c s MET 71 CO 0.06 -0.08 1.87 -1.00 0.00 0.00 0.00 175.02 175.88 1n9c h PRO 72 N 7.48 1.09 0.00 4.11 0.13 -1.90 -3.08 132.00 139.83 1n9c h PRO 72 Ca -0.32 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1n9c h PRO 72 Cb 1.17 -0.21 0.00 0.00 0.13 0.00 0.00 31.00 32.10 1n9c h PRO 72 CO 0.50 0.83 0.00 0.41 -0.23 0.00 0.00 178.00 179.51 1n9c n GLY 73 N -1.10 -1.86 2.44 1.56 0.00 -1.26 -4.62 105.19 100.35 1n9c n GLY 73 Ca 0.08 -1.52 -0.17 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.66 1.18 0.18 -0.02 0.00 0.56 -4.85 105.19 100.59 1n9c n GLY 74 Ca 0.00 -0.21 0.03 0.00 0.00 0.00 0.00 46.02 45.83 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 1.20 -3.90 -0.61 2.04 -1.86 -3.41 117.51 110.98 1n9c h ILE 75 Ca -0.36 -1.46 -0.25 0.00 1.00 0.00 0.00 64.86 63.80 1n9c h ILE 75 Cb 1.14 1.81 -0.24 0.00 -0.74 0.00 0.00 36.82 38.79 1n9c h ILE 75 CO 0.49 0.41 -0.73 0.00 0.00 0.00 0.00 178.15 178.32 1n9c s ALA 76 N -3.97 0.27 0.03 1.87 0.00 -1.26 -5.05 121.76 113.65 1n9c s ALA 76 Ca -0.02 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.53 1n9c s ALA 76 Cb 0.13 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 1n9c s ALA 76 CO 0.72 -0.02 -0.01 0.15 0.00 0.00 0.00 175.76 176.59 1n9c s LYS 77 N -0.82 0.39 6.26 0.00 1.02 -1.26 -4.30 119.74 121.03 1n9c s LYS 77 Ca -0.06 -0.72 0.00 0.00 0.02 0.00 0.00 55.97 55.20 1n9c s LYS 77 Cb -0.06 0.14 0.00 0.00 -0.52 0.00 0.00 37.83 37.39 1n9c s LYS 77 CO -0.00 -0.07 0.00 0.41 -0.92 0.00 0.00 175.35 174.77 1n9c n GLY 78 N 1.26 3.12 0.37 -3.33 0.00 -1.26 -2.62 105.19 102.73 1n9c n GLY 78 Ca -0.22 -0.28 0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.95 2.17 0.29 4.61 0.00 -1.98 0.35 119.26 123.74 1n9c h ALA 79 Ca 0.00 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1n9c h ALA 79 Cb 0.00 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1n9c h ALA 79 CO 0.00 -0.77 -0.40 1.49 0.00 0.00 0.00 179.25 179.57 1n9c h GLU 80 N 0.27 -0.72 -0.55 0.00 4.81 -1.83 0.10 114.58 116.66 1n9c h GLU 80 Ca 0.74 0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.91 1n9c h GLU 80 Cb 1.88 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 31.40 1n9c h GLU 80 CO -0.54 -0.48 -0.08 0.00 -0.73 0.00 0.00 179.01 177.18 1n9c h ALA 81 N -0.31 0.75 -0.03 2.92 0.00 -0.49 -1.36 119.26 120.74 1n9c h ALA 81 Ca -0.01 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.59 1n9c h ALA 81 Cb 0.70 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 1n9c h ALA 81 CO -0.13 0.65 -0.22 0.93 0.00 0.00 0.00 179.25 180.48 1n9c h GLU 82 N 0.91 -0.32 -0.01 0.00 5.08 -0.90 0.13 114.58 119.46 1n9c h GLU 82 Ca 0.15 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.56 1n9c h GLU 82 Cb 0.65 0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.92 1n9c h GLU 82 CO 0.04 -0.21 -0.31 0.00 -1.00 0.00 0.00 179.01 177.53 1n9c h ALA 83 N 0.56 -0.44 -0.20 3.43 0.00 -0.62 -1.05 119.26 120.95 1n9c h ALA 83 Ca 0.07 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.02 1n9c h ALA 83 Cb 0.43 0.55 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 1n9c h ALA 83 CO -0.22 -0.82 -0.30 0.28 0.00 0.00 0.00 179.25 178.19 1n9c h VAL 84 N -0.46 0.31 0.07 0.00 2.07 -0.92 -1.24 116.25 116.09 1n9c h VAL 84 Ca 0.06 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.60 1n9c h VAL 84 Cb 0.55 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.61 1n9c h VAL 84 CO -0.27 0.00 -0.14 0.00 0.02 0.00 0.00 177.57 177.18 1n9c h ALA 85 N 0.57 -0.23 -0.05 1.67 0.00 -0.20 0.30 119.26 121.32 1n9c h ALA 85 Ca 0.12 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.05 1n9c h ALA 85 Cb 0.52 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 1n9c h ALA 85 CO -0.39 -0.66 -0.27 0.00 0.00 0.00 0.00 179.25 177.93 1n9c h ALA 86 N 0.61 -0.34 -0.95 0.00 0.00 -1.11 0.03 119.26 117.50 1n9c h ALA 86 Ca 0.03 0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.00 1n9c h ALA 86 Cb 0.30 0.50 -0.06 0.00 0.00 0.00 0.00 17.79 18.53 1n9c h ALA 86 CO -0.09 -0.76 0.61 2.35 0.00 0.00 0.00 179.25 181.35 1n9c h TRP 87 N -0.39 1.13 -0.48 0.00 7.01 -0.75 0.77 115.95 123.23 1n9c h TRP 87 Ca 0.08 0.03 -0.13 0.00 2.11 0.00 0.00 58.89 60.98 1n9c h TRP 87 Cb 0.50 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 27.18 1n9c h TRP 87 CO -0.33 0.60 -0.21 -0.07 -2.79 0.00 0.00 178.44 175.64 1n9c h LEU 88 N 1.12 1.00 -1.59 0.65 3.38 0.05 -0.08 115.31 119.84 1n9c h LEU 88 Ca 0.40 -0.38 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1n9c h LEU 88 Cb 0.13 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 1n9c h LEU 88 CO -0.16 1.17 0.30 0.00 0.09 0.00 0.00 178.44 179.83 1n9c h ALA 89 N 0.90 1.74 0.00 1.53 0.00 -0.26 -1.78 119.26 121.39 1n9c h ALA 89 Ca 0.11 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 1n9c h ALA 89 Cb 0.78 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1n9c h ALA 89 CO 0.06 0.22 -0.58 1.49 0.00 0.00 0.00 179.25 180.44 1n9c h GLU 90 N 0.55 0.00 0.00 0.00 4.81 -0.36 -3.34 114.58 116.24 1n9c h GLU 90 Ca 0.17 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 1n9c h GLU 90 Cb 0.02 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1n9c h GLU 90 CO -0.04 0.58 -0.02 0.87 -0.73 0.00 0.00 179.01 179.68 1n9c h LYS 91 N 0.00 0.00 0.00 1.92 1.79 -0.11 -3.51 116.57 116.66 1n9c h LYS 91 Ca -0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1n9c h LYS 91 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 1n9c h LYS 91 CO 0.08 0.02 0.00 0.36 -1.08 0.00 0.00 179.45 178.83