#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 5.51 0.18 4.52 1.11 -1.26 -4.93 116.67 121.80 1n9c s ASP 23 Ca 0.00 -2.02 -0.17 0.00 0.18 0.00 0.00 52.55 50.54 1n9c s ASP 23 Cb 0.00 -1.93 0.14 0.00 1.07 0.00 0.00 42.92 42.19 1n9c s ASP 23 CO 0.00 -0.61 1.64 0.00 1.18 0.00 0.00 175.17 177.38 1n9c h ALA 24 N 8.20 0.25 -0.32 5.23 0.00 -1.94 0.22 119.26 130.90 1n9c h ALA 24 Ca -0.16 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1n9c h ALA 24 Cb 1.06 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 1n9c h ALA 24 CO 0.79 -0.48 0.14 1.05 0.00 0.00 0.00 179.25 180.74 1n9c h GLU 25 N -0.05 0.46 -0.89 0.00 4.11 -1.93 -2.35 114.58 113.94 1n9c h GLU 25 Ca 0.23 -0.07 0.10 0.00 0.07 0.00 0.00 59.36 59.68 1n9c h GLU 25 Cb 0.39 -0.08 -0.07 0.00 0.50 0.00 0.00 28.75 29.49 1n9c h GLU 25 CO -0.51 0.45 0.53 0.00 0.07 0.00 0.00 179.01 179.55 1n9c h ALA 26 N 0.99 1.28 0.04 1.06 0.00 -1.08 0.32 119.26 121.87 1n9c h ALA 26 Ca 0.11 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.05 1n9c h ALA 26 Cb 0.14 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1n9c h ALA 26 CO -0.01 0.17 -0.28 0.28 0.00 0.00 0.00 179.25 179.41 1n9c h VAL 27 N 0.89 0.00 -0.49 0.00 2.07 -0.69 -2.19 116.25 115.84 1n9c h VAL 27 Ca 0.42 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.84 1n9c h VAL 27 Cb 0.37 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1n9c h VAL 27 CO -0.24 0.00 -0.11 0.58 0.02 0.00 0.00 177.57 177.82 1n9c h VAL 28 N -0.37 1.26 0.00 2.57 2.07 -0.29 0.39 116.25 121.88 1n9c h VAL 28 Ca 0.00 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.29 1n9c h VAL 28 Cb 0.38 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1n9c h VAL 28 CO -0.16 0.43 0.00 0.00 0.02 0.00 0.00 177.57 177.85 1n9c n GLN 29 N -4.15 0.00 0.00 1.57 1.13 0.88 -1.04 117.38 115.78 1n9c n GLN 29 Ca 0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.07 1n9c n GLN 29 Cb 0.39 -1.49 0.00 0.00 0.11 0.00 0.00 30.24 29.24 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 -0.99 0.76 -0.04 -1.09 7.27 0.34 -4.87 117.38 118.77 1n9c n GLN 30 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 57.00 57.09 1n9c n GLN 30 Cb 0.00 -0.87 -0.15 0.00 2.41 0.00 0.00 30.24 31.64 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 -2.06 0.79 0.00 3.69 3.00 0.11 -4.62 118.16 119.06 1n9c n LYS 31 Ca 0.00 -0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.20 1n9c n LYS 31 Cb 0.37 -1.46 0.00 0.00 0.00 0.00 0.00 35.03 33.94 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 0.49 -0.74 0.00 3.07 -1.55 0.15 117.51 118.94 1n9c h ILE 33 Ca 0.00 -0.02 0.29 0.00 1.55 0.00 0.00 64.86 66.68 1n9c h ILE 33 Cb 0.98 0.43 -0.13 0.00 -0.27 0.00 0.00 36.82 37.83 1n9c h ILE 33 CO 0.00 0.01 0.31 -1.20 -1.05 0.00 0.00 178.15 176.22 1n9c n SER 34 N -4.28 0.18 -0.00 2.16 7.64 -1.26 -0.22 113.62 117.84 1n9c n SER 34 Ca 0.22 1.23 -0.00 0.00 1.01 0.00 0.00 58.87 61.33 1n9c n SER 34 Cb 1.06 -0.57 -0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1n9c n SER 34 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1n9c n HIS 36 N -2.32 0.00 0.00 0.00 8.25 -0.15 -0.13 115.22 120.87 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 0.50 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.49 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 1.14 1.81 1.39 -1.41 0.00 0.69 -0.61 105.19 108.20 1n9c n GLY 37 Ca 0.19 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.85 0.01 -0.02 0.00 -1.26 -4.64 105.19 97.42 1n9c n GLY 38 Ca 0.00 0.51 0.12 0.00 0.00 0.00 0.00 46.02 46.65 1n9c n GLY 38 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1n9c n ASP 39 N -2.57 0.02 -0.89 1.61 -0.08 -1.26 -4.85 116.55 108.52 1n9c n ASP 39 Ca 0.00 -1.23 -0.10 0.00 -1.51 0.00 0.00 54.79 51.95 1n9c n ASP 39 Cb 0.00 -0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 1n9c n ASP 39 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1n9c n LEU 40 N -0.88 -0.92 0.00 -2.67 7.99 -1.25 -4.51 117.00 114.77 1n9c n LEU 40 Ca 0.19 0.20 0.09 0.00 -0.01 0.00 0.00 56.01 56.48 1n9c n LEU 40 Cb 0.09 -1.69 0.48 0.00 -0.11 0.00 0.00 43.42 42.19 1n9c n LEU 40 CO 0.14 -0.45 0.79 0.35 -1.51 0.00 0.00 177.39 176.71 1n9c n THR 41 N -2.99 0.42 0.00 -5.08 -2.24 -1.23 -0.35 114.28 102.81 1n9c n THR 41 Ca -0.11 0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1n9c n THR 41 Cb 0.40 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.84 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 0.32 1.53 0.00 3.38 0.00 0.22 -3.99 105.19 106.64 1n9c n GLY 42 Ca 0.09 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.48 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 1.57 0.38 1.39 4.61 0.00 -1.20 -4.58 120.51 122.68 1n9c n ALA 43 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1n9c n ALA 43 Cb 0.00 0.00 0.43 0.00 0.00 0.00 0.00 19.45 19.88 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 -0.80 1.80 -3.99 0.00 7.64 0.81 -4.88 113.62 114.21 1n9c n SER 44 Ca 0.00 -1.59 -0.08 0.00 1.01 0.00 0.00 58.87 58.21 1n9c n SER 44 Cb 0.00 0.01 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 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 -2.01 0.16 1.01 -0.43 0.00 -0.75 -4.92 121.76 114.81 1n9c s ALA 45 Ca 0.35 -0.83 -0.12 0.00 0.00 0.00 0.00 51.96 51.36 1n9c s ALA 45 Cb 0.21 0.28 0.19 0.00 0.00 0.00 0.00 23.12 23.80 1n9c s ALA 45 CO 0.33 -0.35 1.08 -1.25 0.00 0.00 0.00 175.76 175.57 1n9c s PRO 46 N -3.20 0.34 -0.18 0.00 0.04 -1.26 -4.31 135.00 126.43 1n9c s PRO 46 Ca 0.00 0.81 -0.29 0.00 0.04 0.00 0.00 61.00 61.56 1n9c s PRO 46 Cb 0.02 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.81 1n9c s PRO 46 CO -0.07 -2.87 1.93 0.00 0.04 0.00 0.00 177.00 176.03 1n9c s ALA 47 N -2.77 3.08 -1.57 8.56 0.00 -1.26 -4.15 121.76 123.66 1n9c s ALA 47 Ca 0.66 0.73 0.14 0.00 0.00 0.00 0.00 51.96 53.49 1n9c s ALA 47 Cb -0.21 -3.95 0.07 0.00 0.00 0.00 0.00 23.12 19.03 1n9c s ALA 47 CO 0.59 -2.27 0.88 0.44 0.00 0.00 0.00 175.76 175.40 1n9c n ILE 48 N 6.85 0.00 -0.27 0.00 -6.64 0.36 -4.48 119.36 115.18 1n9c n ILE 48 Ca 0.24 -0.44 0.04 0.00 -1.77 0.00 0.00 62.75 60.81 1n9c n ILE 48 Cb 0.44 1.24 0.10 0.00 -1.44 0.00 0.00 39.64 39.98 1n9c n ILE 48 CO 0.00 0.00 0.00 -0.67 -1.77 0.00 0.00 176.55 174.11 1n9c n ASP 49 N 0.41 -0.29 -0.62 7.28 2.03 0.53 -0.31 116.55 125.58 1n9c n ASP 49 Ca 0.07 1.29 0.13 0.00 0.52 0.00 0.00 54.79 56.80 1n9c n ASP 49 Cb 0.33 -0.38 0.40 0.00 -0.72 0.00 0.00 41.12 40.75 1n9c n ASP 49 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1n9c n LYS 50 N -5.21 1.84 -0.13 -0.67 0.00 -1.26 -4.38 118.16 108.36 1n9c n LYS 50 Ca 0.11 -1.24 0.07 0.00 0.00 0.00 0.00 58.31 57.26 1n9c n LYS 50 Cb 0.37 -1.46 0.40 0.00 0.00 0.00 0.00 35.03 34.33 1n9c n LYS 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1n9c h ALA 51 N 4.39 1.77 -0.26 3.14 0.00 -0.92 0.17 119.26 127.55 1n9c h ALA 51 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n9c h ALA 51 Cb 0.62 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1n9c h ALA 51 CO 0.00 0.13 0.16 0.78 0.00 0.00 0.00 179.25 180.33 1n9c h GLY 52 N 0.65 0.36 1.40 0.00 0.00 -1.73 0.42 103.07 104.17 1n9c h GLY 52 Ca 0.27 -0.14 -0.30 0.00 0.00 0.00 0.00 47.33 47.16 1n9c h GLY 52 CO -0.08 0.14 -1.33 0.00 0.00 0.00 0.00 176.54 175.26 1n9c h ALA 53 N 1.83 -0.02 -0.10 3.60 0.00 -1.02 -3.36 119.26 120.19 1n9c h ALA 53 Ca 0.09 -0.84 -0.23 0.00 0.00 0.00 0.00 54.91 53.93 1n9c h ALA 53 Cb -0.03 0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1n9c h ALA 53 CO -0.02 0.79 -0.85 -0.91 0.00 0.00 0.00 179.25 178.26 1n9c h ASN 54 N 0.15 0.85 -4.32 0.00 2.35 -0.73 -3.48 115.58 110.41 1n9c h ASN 54 Ca -0.19 -0.59 -0.38 0.00 -0.55 0.00 0.00 56.30 54.58 1n9c h ASN 54 Cb 2.03 -0.25 -0.14 0.00 0.05 0.00 0.00 38.32 40.00 1n9c h ASN 54 CO 0.24 1.38 -0.60 -0.31 -1.65 0.00 0.00 177.43 176.49 1n9c s TYR 55 N -3.60 1.61 0.41 1.19 2.02 0.14 -5.08 117.35 114.05 1n9c s TYR 55 Ca -0.09 -1.18 0.08 0.00 -0.37 0.00 0.00 57.07 55.50 1n9c s TYR 55 Cb 0.08 -0.95 -0.02 0.00 -0.40 0.00 0.00 41.96 40.67 1n9c s TYR 55 CO 0.90 -0.31 0.39 0.45 -1.57 0.00 0.00 175.55 175.41 1n9c s SER 56 N -3.35 5.16 0.14 2.29 0.15 -1.26 -4.23 113.70 112.59 1n9c s SER 56 Ca 0.37 -0.67 -0.21 0.00 0.70 0.00 0.00 55.95 56.14 1n9c s SER 56 Cb 0.07 -0.63 -0.00 0.00 -1.71 0.00 0.00 66.02 63.75 1n9c s SER 56 CO 0.14 -0.63 1.67 1.05 1.20 0.00 0.00 173.24 176.67 1n9c h GLU 57 N 1.00 -0.13 -0.77 5.44 -0.00 -1.92 -1.63 114.58 116.59 1n9c h GLU 57 Ca -0.42 0.01 0.11 0.00 -0.00 0.00 0.00 59.36 59.06 1n9c h GLU 57 Cb 1.27 0.03 -0.13 0.00 -0.00 0.00 0.00 28.75 29.92 1n9c h GLU 57 CO 0.56 -0.09 -0.42 1.05 -0.00 0.00 0.00 179.01 180.11 1n9c h GLU 58 N -0.14 -0.11 0.03 1.06 4.11 -1.96 0.27 114.58 117.84 1n9c h GLU 58 Ca 0.11 0.01 0.02 0.00 0.07 0.00 0.00 59.36 59.57 1n9c h GLU 58 Cb 0.30 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1n9c h GLU 58 CO -0.27 -0.07 -0.15 0.93 0.07 0.00 0.00 179.01 179.52 1n9c h GLU 59 N -0.12 -0.25 -0.14 1.06 4.39 -1.82 -0.09 114.58 117.62 1n9c h GLU 59 Ca 0.24 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.95 1n9c h GLU 59 Cb 0.55 0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 29.25 1n9c h GLU 59 CO -0.81 -0.17 0.06 0.82 -1.16 0.00 0.00 179.01 177.75 1n9c h ILE 60 N -0.26 1.14 -0.20 3.13 2.04 -0.52 0.34 117.51 123.18 1n9c h ILE 60 Ca 0.04 -0.43 0.05 0.00 1.00 0.00 0.00 64.86 65.52 1n9c h ILE 60 Cb 0.31 1.18 -0.07 0.00 -0.74 0.00 0.00 36.82 37.49 1n9c h ILE 60 CO -0.12 0.13 -0.38 0.25 0.00 0.00 0.00 178.15 178.03 1n9c h LEU 61 N 0.07 -1.19 -0.32 1.44 5.85 -0.37 0.13 115.31 120.92 1n9c h LEU 61 Ca 0.05 0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.97 1n9c h LEU 61 Cb 0.16 0.51 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1n9c h LEU 61 CO -0.00 -0.38 0.12 -0.78 -0.34 0.00 0.00 178.44 177.05 1n9c h ASP 62 N -0.41 0.14 -0.77 1.25 3.58 -0.71 -0.55 116.42 118.96 1n9c h ASP 62 Ca 0.10 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.61 1n9c h ASP 62 Cb 0.58 0.01 -0.05 0.00 1.72 0.00 0.00 39.33 41.60 1n9c h ASP 62 CO -0.42 0.12 0.49 0.40 -2.88 0.00 0.00 179.24 176.95 1n9c h ILE 63 N 0.26 1.12 0.00 2.25 2.04 -0.14 0.36 117.51 123.41 1n9c h ILE 63 Ca 0.14 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1n9c h ILE 63 Cb 0.10 0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.25 1n9c h ILE 63 CO -0.13 0.18 -0.00 0.40 0.00 0.00 0.00 178.15 178.59 1n9c h ILE 64 N 0.97 1.06 -0.21 -0.67 2.04 -0.29 0.47 117.51 120.88 1n9c h ILE 64 Ca 0.31 -0.17 -0.04 0.00 1.00 0.00 0.00 64.86 65.95 1n9c h ILE 64 Cb -0.00 1.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 1n9c h ILE 64 CO -0.11 0.04 -0.07 -0.07 0.00 0.00 0.00 178.15 177.95 1n9c h LEU 65 N -0.08 0.29 0.00 1.44 3.38 -0.10 0.22 115.31 120.47 1n9c h LEU 65 Ca -0.00 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1n9c h LEU 65 Cb 0.08 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1n9c h LEU 65 CO 0.00 0.41 -0.95 0.59 0.09 0.00 0.00 178.44 178.58 1n9c n ASN 66 N -4.30 1.79 0.00 -0.43 3.02 0.12 -2.72 115.26 112.73 1n9c n ASN 66 Ca -0.00 0.30 0.00 0.00 -0.03 0.00 0.00 54.58 54.85 1n9c n ASN 66 Cb 0.24 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 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 1.78 0.98 3.40 7.41 0.00 0.16 -4.28 105.19 114.66 1n9c n GLY 67 Ca -0.14 -1.96 -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 -1.37 1.22 0.00 1.61 2.00 -1.14 -4.55 119.66 117.43 1n9c s GLN 68 Ca 0.00 -1.04 0.00 0.00 -2.00 0.00 0.00 55.36 52.32 1n9c s GLN 68 Cb 0.00 0.43 0.00 0.00 0.80 0.00 0.00 33.01 34.24 1n9c s GLN 68 CO 0.00 -0.47 0.00 0.41 -0.50 0.00 0.00 175.29 174.73 1n9c n GLY 69 N -0.25 0.00 1.90 2.59 0.00 -1.26 -0.05 105.19 108.12 1n9c n GLY 69 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.84 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 4.02 3.51 -0.02 0.00 -1.26 -4.92 105.19 106.52 1n9c n GLY 70 Ca 0.00 -1.05 -0.37 0.00 0.00 0.00 0.00 46.02 44.60 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 -3.09 3.78 0.31 1.61 0.00 0.93 -5.01 119.30 117.82 1n9c s MET 71 Ca 0.54 -0.42 0.00 0.00 0.00 0.00 0.00 55.69 55.82 1n9c s MET 71 Cb 0.44 -3.41 0.49 0.00 0.00 0.00 0.00 34.83 32.35 1n9c s MET 71 CO 0.11 -0.14 1.89 -1.00 0.00 0.00 0.00 175.02 175.88 1n9c h PRO 72 N 8.11 0.80 0.00 4.11 0.13 -1.91 -3.02 132.00 140.20 1n9c h PRO 72 Ca -0.37 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1n9c h PRO 72 Cb 1.18 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 32.17 1n9c h PRO 72 CO 0.58 0.67 0.00 0.41 -0.23 0.00 0.00 178.00 179.43 1n9c n GLY 73 N -1.04 -2.07 2.42 1.56 0.00 -1.26 -4.58 105.19 100.22 1n9c n GLY 73 Ca 0.04 -1.50 -0.18 0.00 0.00 0.00 0.00 46.02 44.39 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 -2.11 0.59 0.20 -0.02 0.00 0.78 -4.85 105.19 99.77 1n9c n GLY 74 Ca 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 45.93 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 0.92 -3.47 -0.61 2.04 -1.87 -3.42 117.51 111.10 1n9c h ILE 75 Ca -0.40 -1.33 -0.16 0.00 1.00 0.00 0.00 64.86 63.97 1n9c h ILE 75 Cb 1.25 1.79 -0.22 0.00 -0.74 0.00 0.00 36.82 38.90 1n9c h ILE 75 CO 0.52 0.33 -0.51 0.00 0.00 0.00 0.00 178.15 178.49 1n9c s ALA 76 N -3.81 -0.34 0.12 1.87 0.00 -1.26 -5.05 121.76 113.29 1n9c s ALA 76 Ca -0.01 0.05 -0.00 0.00 0.00 0.00 0.00 51.96 51.99 1n9c s ALA 76 Cb 0.12 -0.01 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 1n9c s ALA 76 CO 0.68 -0.16 0.03 0.15 0.00 0.00 0.00 175.76 176.45 1n9c s LYS 77 N -0.91 0.90 2.80 0.00 1.02 -1.26 -4.32 119.74 117.97 1n9c s LYS 77 Ca -0.10 -1.41 0.00 0.00 0.02 0.00 0.00 55.97 54.48 1n9c s LYS 77 Cb -0.06 0.14 0.00 0.00 -0.52 0.00 0.00 37.83 37.40 1n9c s LYS 77 CO 0.01 -0.21 0.00 0.41 -0.92 0.00 0.00 175.35 174.64 1n9c n GLY 78 N -0.08 2.49 0.38 -3.33 0.00 -1.26 -1.65 105.19 101.73 1n9c n GLY 78 Ca -0.07 -0.16 0.28 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.40 2.21 0.41 4.61 0.00 -1.98 0.19 119.26 124.31 1n9c h ALA 79 Ca 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 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 -0.82 -0.20 1.49 0.00 0.00 0.00 179.25 179.72 1n9c h GLU 80 N 0.24 -0.54 -0.46 0.00 4.81 -1.70 0.11 114.58 117.05 1n9c h GLU 80 Ca 0.75 0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.93 1n9c h GLU 80 Cb 1.94 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 31.42 1n9c h GLU 80 CO -0.53 -0.34 -0.04 0.00 -0.73 0.00 0.00 179.01 177.37 1n9c h ALA 81 N -0.02 0.62 -0.01 2.92 0.00 -0.71 -1.87 119.26 120.19 1n9c h ALA 81 Ca -0.06 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 54.58 1n9c h ALA 81 Cb 0.45 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 1n9c h ALA 81 CO 0.09 0.46 -0.18 0.93 0.00 0.00 0.00 179.25 180.55 1n9c h GLU 82 N 0.68 -0.28 -0.18 0.00 5.08 -0.89 0.85 114.58 119.84 1n9c h GLU 82 Ca 0.12 0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.56 1n9c h GLU 82 Cb 0.56 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.81 1n9c h GLU 82 CO 0.03 -0.19 -0.22 0.00 -1.00 0.00 0.00 179.01 177.64 1n9c h ALA 83 N 0.64 -0.14 0.02 3.43 0.00 -0.67 -0.58 119.26 121.96 1n9c h ALA 83 Ca 0.06 0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.04 1n9c h ALA 83 Cb 0.37 0.44 -0.04 0.00 0.00 0.00 0.00 17.79 18.57 1n9c h ALA 83 CO -0.18 -0.66 -0.35 0.28 0.00 0.00 0.00 179.25 178.33 1n9c h VAL 84 N -0.25 0.00 -0.52 0.00 2.07 -1.01 -1.54 116.25 115.01 1n9c h VAL 84 Ca 0.12 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.74 1n9c h VAL 84 Cb 0.43 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.10 1n9c h VAL 84 CO -0.33 0.00 -0.10 0.00 0.02 0.00 0.00 177.57 177.16 1n9c h ALA 85 N -0.81 0.37 0.69 1.67 0.00 -0.26 0.26 119.26 121.18 1n9c h ALA 85 Ca 0.00 0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1n9c h ALA 85 Cb 0.48 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 1n9c h ALA 85 CO -0.23 -0.43 -0.50 0.00 0.00 0.00 0.00 179.25 178.10 1n9c h ALA 86 N 1.51 -1.21 -0.75 0.00 0.00 -1.06 0.11 119.26 117.85 1n9c h ALA 86 Ca 0.25 -0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.04 1n9c h ALA 86 Cb 0.39 0.65 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 1n9c h ALA 86 CO -0.51 -1.21 0.49 2.35 0.00 0.00 0.00 179.25 180.37 1n9c h TRP 87 N -1.13 0.67 -0.05 0.00 7.01 -0.39 0.16 115.95 122.22 1n9c h TRP 87 Ca -0.09 0.02 -0.13 0.00 2.11 0.00 0.00 58.89 60.80 1n9c h TRP 87 Cb 0.93 -0.22 0.01 0.00 -2.10 0.00 0.00 29.16 27.78 1n9c h TRP 87 CO -0.16 0.31 -0.47 1.25 -2.79 0.00 0.00 178.44 176.58 1n9c h LEU 88 N 0.62 0.50 -2.36 0.65 7.12 -0.36 -2.84 115.31 118.64 1n9c h LEU 88 Ca 0.35 -0.69 -0.01 0.00 0.13 0.00 0.00 57.88 57.66 1n9c h LEU 88 Cb 0.52 -0.15 -0.00 0.00 -0.53 0.00 0.00 40.66 40.50 1n9c h LEU 88 CO -0.13 1.12 -0.03 0.00 -0.13 0.00 0.00 178.44 179.27 1n9c h ALA 89 N 0.39 1.18 0.00 1.25 0.00 0.10 -0.79 119.26 121.40 1n9c h ALA 89 Ca -0.04 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1n9c h ALA 89 Cb 1.15 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1n9c h ALA 89 CO 0.09 0.04 -0.54 1.49 0.00 0.00 0.00 179.25 180.34 1n9c h GLU 90 N 0.00 0.00 0.00 0.00 4.81 -0.62 -3.42 114.58 115.35 1n9c h GLU 90 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1n9c h GLU 90 Cb 0.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1n9c h GLU 90 CO 0.00 0.54 0.00 1.17 -0.73 0.00 0.00 179.01 179.99 1n9c n LYS 91 N -3.46 0.01 0.00 1.92 0.00 -0.30 -5.09 118.16 111.24 1n9c n LYS 91 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 58.31 58.56 1n9c n LYS 91 Cb 0.65 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 34.18 1n9c n LYS 91 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76