#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 5.90 0.22 4.52 -1.08 -1.26 -4.85 116.67 120.11 1n9c s ASP 23 Ca 0.00 1.00 -0.08 0.00 -0.52 0.00 0.00 52.55 52.94 1n9c s ASP 23 Cb 0.00 -2.53 0.29 0.00 -1.46 0.00 0.00 42.92 39.22 1n9c s ASP 23 CO 0.00 -1.76 1.78 0.00 0.52 0.00 0.00 175.17 175.71 1n9c h ALA 24 N 12.67 0.91 -0.29 3.66 0.00 -1.91 -0.73 119.26 133.57 1n9c h ALA 24 Ca -0.31 0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 1n9c h ALA 24 Cb 1.15 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 1n9c h ALA 24 CO 1.08 -0.03 -0.41 1.05 0.00 0.00 0.00 179.25 180.94 1n9c h GLU 25 N 0.60 0.79 -0.32 0.00 4.11 -1.91 -0.12 114.58 117.73 1n9c h GLU 25 Ca 0.32 -0.46 0.07 0.00 0.07 0.00 0.00 59.36 59.36 1n9c h GLU 25 Cb 0.30 0.04 -0.07 0.00 0.50 0.00 0.00 28.75 29.52 1n9c h GLU 25 CO -0.24 1.09 -0.15 0.00 0.07 0.00 0.00 179.01 179.78 1n9c h ALA 26 N 0.69 0.10 -0.02 1.06 0.00 -1.81 0.76 119.26 120.03 1n9c h ALA 26 Ca 0.03 0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.08 1n9c h ALA 26 Cb 1.01 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 19.11 1n9c h ALA 26 CO 0.10 -0.54 -0.53 0.28 0.00 0.00 0.00 179.25 178.55 1n9c h VAL 27 N -0.10 0.01 0.00 0.00 2.07 -0.95 -0.98 116.25 116.29 1n9c h VAL 27 Ca 0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.68 1n9c h VAL 27 Cb 0.35 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 1n9c h VAL 27 CO -0.38 0.00 0.00 0.52 0.02 0.00 0.00 177.57 177.73 1n9c n VAL 28 N -5.46 0.85 1.29 2.57 0.31 -0.08 0.15 118.33 117.97 1n9c n VAL 28 Ca -0.07 0.20 0.13 0.00 -0.01 0.00 0.00 64.34 64.59 1n9c n VAL 28 Cb 0.39 -1.01 0.37 0.00 -0.91 0.00 0.00 33.84 32.69 1n9c n VAL 28 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1n9c n GLN 29 N -1.82 1.91 0.00 5.55 1.13 0.25 -3.45 117.38 120.95 1n9c n GLN 29 Ca 0.03 -1.32 0.00 0.00 -1.94 0.00 0.00 57.00 53.77 1n9c n GLN 29 Cb 0.22 -1.47 0.00 0.00 0.11 0.00 0.00 30.24 29.10 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 0.60 0.00 -0.05 -1.09 7.27 -0.14 -4.84 117.38 119.12 1n9c n GLN 30 Ca 0.17 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 57.13 1n9c n GLN 30 Cb 0.44 -0.13 -0.04 0.00 2.41 0.00 0.00 30.24 32.92 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 0.23 0.02 3.69 4.76 0.12 -4.81 118.16 122.17 1n9c n LYS 31 Ca 0.00 0.10 -0.19 0.00 -2.87 0.00 0.00 58.31 55.35 1n9c n LYS 31 Cb 0.09 -0.92 -0.14 0.00 -1.84 0.00 0.00 35.03 32.22 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 0.07 0.40 -1.19 0.00 3.07 -1.86 0.18 117.51 118.18 1n9c h ILE 33 Ca -0.37 -0.11 0.42 0.00 1.55 0.00 0.00 64.86 66.36 1n9c h ILE 33 Cb 2.04 0.07 -0.13 0.00 -0.27 0.00 0.00 36.82 38.53 1n9c h ILE 33 CO 0.11 0.06 0.75 -1.20 -1.05 0.00 0.00 178.15 176.82 1n9c n SER 34 N -4.68 0.21 0.00 2.16 7.64 -1.26 -0.29 113.62 117.41 1n9c n SER 34 Ca 0.29 1.29 0.00 0.00 1.01 0.00 0.00 58.87 61.46 1n9c n SER 34 Cb 1.03 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 63.59 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 -2.52 0.00 0.00 0.00 8.25 0.42 0.05 115.22 121.41 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 0.41 -0.36 0.00 0.00 1.12 0.00 0.00 29.99 31.17 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 0.60 2.20 0.04 -1.41 0.00 0.61 -0.99 105.19 106.24 1n9c n GLY 37 Ca 0.09 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.39 0.00 -0.02 0.00 -1.26 -4.68 105.19 96.84 1n9c n GLY 38 Ca 0.00 0.79 0.05 0.00 0.00 0.00 0.00 46.02 46.86 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 -0.80 0.00 -1.08 1.61 8.00 -1.26 -4.81 116.55 118.21 1n9c n ASP 39 Ca 0.00 -1.17 -0.11 0.00 0.71 0.00 0.00 54.79 54.21 1n9c n ASP 39 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 1n9c n ASP 39 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1n9c n LEU 40 N -0.72 -1.16 0.14 0.64 7.99 -1.25 -4.41 117.00 118.22 1n9c n LEU 40 Ca 0.08 0.14 0.12 0.00 -0.01 0.00 0.00 56.01 56.35 1n9c n LEU 40 Cb 0.04 -1.82 0.50 0.00 -0.11 0.00 0.00 43.42 42.03 1n9c n LEU 40 CO 0.06 -0.37 0.87 0.71 -1.51 0.00 0.00 177.39 177.14 1n9c h THR 41 N 0.00 0.00 -0.47 -5.08 1.35 -1.89 0.20 112.91 107.02 1n9c h THR 41 Ca -0.25 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.34 1n9c h THR 41 Cb 0.96 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1n9c h THR 41 CO 0.33 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.21 1n9c n GLY 42 N 0.10 -0.35 0.00 5.82 0.00 -0.16 -3.80 105.19 106.79 1n9c n GLY 42 Ca 0.02 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.30 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 0.66 0.00 1.38 4.61 0.00 -1.14 -4.71 120.51 121.32 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 0.00 0.00 0.46 0.00 0.00 0.00 0.00 19.45 19.91 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 -1.42 1.55 -3.90 0.00 7.64 0.11 -4.87 113.62 112.73 1n9c n SER 44 Ca 0.00 -1.59 -0.09 0.00 1.01 0.00 0.00 58.87 58.20 1n9c n SER 44 Cb 0.00 -0.05 -0.09 0.00 -1.01 0.00 0.00 64.21 63.07 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 -1.91 -0.13 0.93 -0.43 0.00 -1.13 -4.91 121.76 114.19 1n9c s ALA 45 Ca 0.36 -0.57 -0.11 0.00 0.00 0.00 0.00 51.96 51.63 1n9c s ALA 45 Cb 0.19 0.33 0.15 0.00 0.00 0.00 0.00 23.12 23.80 1n9c s ALA 45 CO 0.30 -0.39 1.09 -1.25 0.00 0.00 0.00 175.76 175.51 1n9c s PRO 46 N -3.11 0.95 0.09 0.00 0.04 -1.26 -4.22 135.00 127.48 1n9c s PRO 46 Ca -0.01 1.00 -0.31 0.00 0.04 0.00 0.00 61.00 61.72 1n9c s PRO 46 Cb 0.02 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.70 1n9c s PRO 46 CO -0.07 -2.50 1.86 0.00 0.04 0.00 0.00 177.00 176.32 1n9c s ALA 47 N -2.80 3.70 -0.38 8.56 0.00 -1.25 -4.29 121.76 125.30 1n9c s ALA 47 Ca 0.65 1.38 0.04 0.00 0.00 0.00 0.00 51.96 54.03 1n9c s ALA 47 Cb -0.20 -3.79 -0.01 0.00 0.00 0.00 0.00 23.12 19.13 1n9c s ALA 47 CO 0.58 -1.33 0.39 0.44 0.00 0.00 0.00 175.76 175.84 1n9c n ILE 48 N 5.02 0.00 -0.33 0.00 -6.64 0.49 -4.64 119.36 113.26 1n9c n ILE 48 Ca 0.18 -0.45 0.14 0.00 -1.77 0.00 0.00 62.75 60.86 1n9c n ILE 48 Cb 0.39 1.04 0.29 0.00 -1.44 0.00 0.00 39.64 39.93 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 0.42 -0.40 -0.06 7.28 2.03 -1.15 0.54 116.42 125.08 1n9c h ASP 49 Ca 0.00 0.27 0.00 0.00 -0.73 0.00 0.00 57.03 56.57 1n9c h ASP 49 Cb 0.14 0.45 0.00 0.00 -0.83 0.00 0.00 39.33 39.09 1n9c h ASP 49 CO 0.00 -0.33 0.00 2.29 -1.03 0.00 0.00 179.24 180.17 1n9c n LYS 50 N -5.45 2.02 -0.32 4.15 -0.00 -1.26 -4.57 118.16 112.73 1n9c n LYS 50 Ca 0.23 -1.49 0.09 0.00 -0.00 0.00 0.00 58.31 57.14 1n9c n LYS 50 Cb 0.75 -1.47 0.26 0.00 -0.00 0.00 0.00 35.03 34.57 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 4.50 1.42 -0.44 0.58 0.00 -1.15 0.81 119.26 124.98 1n9c h ALA 51 Ca 0.00 0.08 0.13 0.00 0.00 0.00 0.00 54.91 55.12 1n9c h ALA 51 Cb 0.75 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1n9c h ALA 51 CO 0.00 -0.06 0.56 0.78 0.00 0.00 0.00 179.25 180.53 1n9c h GLY 52 N 0.68 0.00 1.77 0.00 0.00 -1.67 0.29 103.07 104.15 1n9c h GLY 52 Ca 0.50 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.60 1n9c h GLY 52 CO -0.37 0.00 -1.16 0.00 0.00 0.00 0.00 176.54 175.01 1n9c h ALA 53 N 1.29 0.42 0.07 3.60 0.00 -1.09 -3.38 119.26 120.17 1n9c h ALA 53 Ca 0.21 -1.02 -0.30 0.00 0.00 0.00 0.00 54.91 53.80 1n9c h ALA 53 Cb 1.33 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 1n9c h ALA 53 CO -0.00 1.30 -1.63 -0.91 0.00 0.00 0.00 179.25 178.01 1n9c h ASN 54 N 0.00 0.24 -4.26 0.00 4.21 -0.65 -3.48 115.58 111.64 1n9c h ASN 54 Ca -0.07 -0.76 -0.52 0.00 1.21 0.00 0.00 56.30 56.16 1n9c h ASN 54 Cb 1.83 -0.08 -0.22 0.00 -1.12 0.00 0.00 38.32 38.73 1n9c h ASN 54 CO 0.12 1.68 -0.81 -0.31 -1.29 0.00 0.00 177.43 176.82 1n9c s TYR 55 N -2.47 1.63 0.52 1.19 2.02 0.64 -5.13 117.35 115.76 1n9c s TYR 55 Ca -0.25 -0.43 -0.04 0.00 -0.37 0.00 0.00 57.07 55.98 1n9c s TYR 55 Cb 0.06 -0.90 -0.01 0.00 -0.40 0.00 0.00 41.96 40.71 1n9c s TYR 55 CO 0.70 0.16 0.81 -1.12 -1.57 0.00 0.00 175.55 174.53 1n9c s SER 56 N -1.84 5.90 0.23 2.29 0.01 -1.26 -3.94 113.70 115.09 1n9c s SER 56 Ca 0.04 0.71 -0.15 0.00 1.31 0.00 0.00 55.95 57.86 1n9c s SER 56 Cb -0.10 -1.89 0.27 0.00 0.21 0.00 0.00 66.02 64.51 1n9c s SER 56 CO 0.04 -0.80 1.57 -0.08 0.41 0.00 0.00 173.24 174.38 1n9c h GLU 57 N 0.10 -0.04 -0.37 12.44 4.81 -1.91 -0.53 114.58 129.08 1n9c h GLU 57 Ca -0.46 0.00 0.07 0.00 -0.13 0.00 0.00 59.36 58.84 1n9c h GLU 57 Cb 1.24 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.54 1n9c h GLU 57 CO 0.60 -0.03 -0.37 1.05 -0.73 0.00 0.00 179.01 179.53 1n9c h GLU 58 N -0.04 -0.30 -0.14 1.92 4.11 -1.94 0.20 114.58 118.40 1n9c h GLU 58 Ca 0.35 0.02 0.02 0.00 0.07 0.00 0.00 59.36 59.82 1n9c h GLU 58 Cb 0.60 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.90 1n9c h GLU 58 CO -0.87 -0.20 0.01 0.93 0.07 0.00 0.00 179.01 178.95 1n9c h GLU 59 N -0.31 0.06 -0.19 1.06 4.39 -1.53 -0.26 114.58 117.80 1n9c h GLU 59 Ca 0.15 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.83 1n9c h GLU 59 Cb 0.57 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1n9c h GLU 59 CO -0.53 0.04 0.06 0.82 -1.16 0.00 0.00 179.01 178.23 1n9c h ILE 60 N 0.06 1.19 -0.25 3.13 2.04 -0.75 0.58 117.51 123.51 1n9c h ILE 60 Ca 0.06 -0.59 0.06 0.00 1.00 0.00 0.00 64.86 65.39 1n9c h ILE 60 Cb 0.07 1.21 -0.08 0.00 -0.74 0.00 0.00 36.82 37.29 1n9c h ILE 60 CO -0.10 0.18 -0.37 0.25 0.00 0.00 0.00 178.15 178.12 1n9c h LEU 61 N 0.14 -1.19 -0.61 1.44 5.85 -0.41 0.21 115.31 120.74 1n9c h LEU 61 Ca 0.06 0.18 0.03 0.00 0.84 0.00 0.00 57.88 58.99 1n9c h LEU 61 Cb 0.23 0.51 -0.04 0.00 0.37 0.00 0.00 40.66 41.73 1n9c h LEU 61 CO -0.00 -0.37 0.38 -0.78 -0.34 0.00 0.00 178.44 177.33 1n9c h ASP 62 N -0.37 0.62 -0.83 1.25 3.58 -0.73 -0.96 116.42 118.97 1n9c h ASP 62 Ca 0.12 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.55 1n9c h ASP 62 Cb 0.57 -0.13 -0.04 0.00 1.72 0.00 0.00 39.33 41.45 1n9c h ASP 62 CO -0.46 0.43 0.45 0.40 -2.88 0.00 0.00 179.24 177.19 1n9c h ILE 63 N 0.74 1.25 -0.23 2.25 2.04 0.17 0.35 117.51 124.09 1n9c h ILE 63 Ca 0.25 -0.62 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1n9c h ILE 63 Cb 0.02 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 1n9c h ILE 63 CO -0.10 0.28 0.13 0.40 0.00 0.00 0.00 178.15 178.86 1n9c h ILE 64 N 1.16 1.09 -0.59 -0.67 2.04 0.05 0.41 117.51 121.00 1n9c h ILE 64 Ca 0.29 -0.23 -0.10 0.00 1.00 0.00 0.00 64.86 65.82 1n9c h ILE 64 Cb 0.04 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1n9c h ILE 64 CO -0.05 0.09 -0.03 -0.07 0.00 0.00 0.00 178.15 178.09 1n9c h LEU 65 N 0.28 1.06 0.00 1.44 3.38 -0.63 0.72 115.31 121.56 1n9c h LEU 65 Ca 0.08 -0.32 -0.26 0.00 0.09 0.00 0.00 57.88 57.47 1n9c h LEU 65 Cb 0.03 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 1n9c h LEU 65 CO -0.01 1.12 -1.50 0.59 0.09 0.00 0.00 178.44 178.73 1n9c n ASN 66 N -4.17 1.88 0.00 -0.43 3.02 0.12 -1.50 115.26 114.18 1n9c n ASN 66 Ca 0.03 0.42 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 1n9c n ASN 66 Cb 0.37 -0.92 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 1.40 0.34 3.40 7.41 0.00 0.14 -4.13 105.19 113.76 1n9c n GLY 67 Ca -0.35 -2.27 0.02 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.28 0.46 2.66 1.61 0.74 -0.88 -4.65 119.66 119.33 1n9c s GLN 68 Ca 0.00 1.04 0.00 0.00 0.05 0.00 0.00 55.36 56.45 1n9c s GLN 68 Cb 0.00 0.61 0.00 0.00 1.10 0.00 0.00 33.01 34.72 1n9c s GLN 68 CO 0.00 -0.29 0.00 0.41 -0.55 0.00 0.00 175.29 174.86 1n9c n GLY 69 N 5.33 1.61 0.23 2.59 0.00 -1.26 0.09 105.19 113.78 1n9c n GLY 69 Ca -0.08 0.52 0.09 0.00 0.00 0.00 0.00 46.02 46.55 1n9c n GLY 69 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1n9c h GLY 70 N 0.00 0.00 -5.37 -0.02 0.00 -1.99 -3.43 103.07 92.26 1n9c h GLY 70 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 1n9c h GLY 70 CO 0.00 0.00 0.98 -0.29 0.00 0.00 0.00 176.54 177.23 1n9c s MET 71 N -4.07 4.13 0.29 4.80 0.00 0.11 -4.93 119.30 119.64 1n9c s MET 71 Ca -0.02 1.74 0.04 0.00 0.00 0.00 0.00 55.69 57.44 1n9c s MET 71 Cb 0.13 -3.86 0.44 0.00 0.00 0.00 0.00 34.83 31.54 1n9c s MET 71 CO 0.64 -0.85 1.73 -1.00 0.00 0.00 0.00 175.02 175.54 1n9c h PRO 72 N 8.93 0.43 0.00 4.11 0.13 -1.85 -2.33 132.00 141.42 1n9c h PRO 72 Ca -0.30 -0.16 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1n9c h PRO 72 Cb 1.13 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.23 1n9c h PRO 72 CO 0.98 0.66 0.00 0.41 -0.23 0.00 0.00 178.00 179.82 1n9c n GLY 73 N -0.39 -1.15 2.48 1.56 0.00 -1.26 -4.41 105.19 102.02 1n9c n GLY 73 Ca -0.01 -1.61 -0.03 0.00 0.00 0.00 0.00 46.02 44.38 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 -1.11 0.50 0.33 -0.02 0.00 0.25 -4.86 105.19 100.28 1n9c n GLY 74 Ca 0.00 -0.14 0.06 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 1.05 -3.96 -0.61 2.04 -1.87 -3.41 117.51 110.75 1n9c h ILE 75 Ca -0.06 -0.20 -0.29 0.00 1.00 0.00 0.00 64.86 65.31 1n9c h ILE 75 Cb 0.59 0.40 -0.22 0.00 -0.74 0.00 0.00 36.82 36.85 1n9c h ILE 75 CO 0.09 0.11 -0.74 0.00 0.00 0.00 0.00 178.15 177.61 1n9c s ALA 76 N -5.53 0.62 0.05 1.87 0.00 -1.26 -5.06 121.76 112.44 1n9c s ALA 76 Ca -0.09 -0.76 -0.08 0.00 0.00 0.00 0.00 51.96 51.03 1n9c s ALA 76 Cb 0.18 0.02 -0.00 0.00 0.00 0.00 0.00 23.12 23.32 1n9c s ALA 76 CO 0.75 0.00 0.16 -1.59 0.00 0.00 0.00 175.76 175.08 1n9c s LYS 77 N -1.52 0.69 5.51 0.00 -2.85 -1.26 -4.40 119.74 115.92 1n9c s LYS 77 Ca -0.09 -0.72 0.00 0.00 -1.00 0.00 0.00 55.97 54.16 1n9c s LYS 77 Cb -0.10 0.28 0.00 0.00 -2.06 0.00 0.00 37.83 35.95 1n9c s LYS 77 CO 0.01 -0.19 0.00 0.41 0.10 0.00 0.00 175.35 175.67 1n9c n GLY 78 N 0.59 2.94 0.40 0.59 0.00 -1.26 -2.30 105.19 106.15 1n9c n GLY 78 Ca -0.18 -0.27 0.28 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.83 2.32 0.38 4.61 0.00 -1.99 0.19 119.26 123.93 1n9c h ALA 79 Ca 0.00 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1n9c h ALA 79 Cb 0.00 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1n9c h ALA 79 CO 0.00 -0.87 -0.45 1.49 0.00 0.00 0.00 179.25 179.42 1n9c h GLU 80 N 0.26 -0.81 -0.22 0.00 4.81 -1.81 0.12 114.58 116.92 1n9c h GLU 80 Ca 0.72 0.06 -0.14 0.00 -0.13 0.00 0.00 59.36 59.87 1n9c h GLU 80 Cb 1.94 0.18 -0.01 0.00 0.63 0.00 0.00 28.75 31.49 1n9c h GLU 80 CO -0.44 -0.54 -0.45 0.00 -0.73 0.00 0.00 179.01 176.85 1n9c h ALA 81 N -0.96 0.81 0.24 2.92 0.00 -0.81 -1.47 119.26 119.99 1n9c h ALA 81 Ca -0.05 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1n9c h ALA 81 Cb 0.75 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1n9c h ALA 81 CO -0.09 0.66 -0.15 0.93 0.00 0.00 0.00 179.25 180.60 1n9c h GLU 82 N 0.45 -0.36 -0.22 0.00 5.08 -0.87 0.14 114.58 118.80 1n9c h GLU 82 Ca 0.03 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1n9c h GLU 82 Cb 0.96 0.08 -0.06 0.00 0.50 0.00 0.00 28.75 30.23 1n9c h GLU 82 CO 0.09 -0.24 -0.20 0.00 -1.00 0.00 0.00 179.01 177.65 1n9c h ALA 83 N 0.37 -0.07 -0.22 3.43 0.00 -0.60 0.01 119.26 122.18 1n9c h ALA 83 Ca -0.02 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1n9c h ALA 83 Cb 0.31 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1n9c h ALA 83 CO 0.03 -0.63 -0.41 0.28 0.00 0.00 0.00 179.25 178.52 1n9c h VAL 84 N -0.21 0.00 -0.38 0.00 2.07 -1.09 -0.87 116.25 115.77 1n9c h VAL 84 Ca 0.13 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.72 1n9c h VAL 84 Cb 0.41 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.12 1n9c h VAL 84 CO -0.35 0.00 -0.00 0.00 0.02 0.00 0.00 177.57 177.24 1n9c h ALA 85 N -0.47 0.34 0.34 1.67 0.00 0.24 0.37 119.26 121.76 1n9c h ALA 85 Ca 0.04 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 1n9c h ALA 85 Cb 0.46 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1n9c h ALA 85 CO -0.39 -0.40 -0.17 0.00 0.00 0.00 0.00 179.25 178.30 1n9c h ALA 86 N 1.34 -0.46 -0.13 0.00 0.00 -0.95 0.22 119.26 119.27 1n9c h ALA 86 Ca 0.19 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1n9c h ALA 86 Cb 0.26 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 1n9c h ALA 86 CO -0.32 -0.76 0.08 2.35 0.00 0.00 0.00 179.25 180.61 1n9c h TRP 87 N -0.46 0.17 -0.03 0.00 7.01 -0.47 -0.03 115.95 122.13 1n9c h TRP 87 Ca -0.05 0.00 -0.17 0.00 2.11 0.00 0.00 58.89 60.79 1n9c h TRP 87 Cb 0.35 -0.06 0.01 0.00 -2.10 0.00 0.00 29.16 27.37 1n9c h TRP 87 CO -0.05 0.11 -0.64 -0.07 -2.79 0.00 0.00 178.44 175.00 1n9c h LEU 88 N 0.18 0.61 -0.97 0.65 3.38 -0.07 -3.04 115.31 116.05 1n9c h LEU 88 Ca 0.05 -0.72 0.06 0.00 0.09 0.00 0.00 57.88 57.36 1n9c h LEU 88 Cb -0.01 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 40.49 1n9c h LEU 88 CO -0.01 1.25 0.63 0.00 0.09 0.00 0.00 178.44 180.40 1n9c h ALA 89 N 0.37 1.35 0.00 1.53 0.00 0.62 -1.37 119.26 121.77 1n9c h ALA 89 Ca -0.07 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1n9c h ALA 89 Cb 1.32 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1n9c h ALA 89 CO 0.13 0.41 0.00 1.05 0.00 0.00 0.00 179.25 180.84 1n9c h GLU 90 N 1.14 0.00 -0.09 0.00 -0.00 -1.15 -3.36 114.58 111.12 1n9c h GLU 90 Ca 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.78 1n9c h GLU 90 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.92 1n9c h GLU 90 CO -0.17 0.00 0.00 1.17 -0.00 0.00 0.00 179.01 180.01 1n9c n LYS 91 N -2.52 0.25 0.00 1.06 0.00 -0.52 -5.09 118.16 111.34 1n9c n LYS 91 Ca 0.04 0.00 0.06 0.00 0.00 0.00 0.00 58.31 58.41 1n9c n LYS 91 Cb 0.42 -1.04 0.05 0.00 0.00 0.00 0.00 35.03 34.45 1n9c n LYS 91 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76