#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgf s GLU 11 N 0.00 3.21 -0.02 1.61 2.02 -1.26 -5.11 118.70 119.15 1sgf s GLU 11 Ca 0.00 -0.50 -0.29 0.00 0.02 0.00 0.00 54.97 54.20 1sgf s GLU 11 Cb 0.00 -2.92 0.08 0.00 0.10 0.00 0.00 34.13 31.38 1sgf s GLU 11 CO 0.00 0.61 0.71 -0.59 0.02 0.00 0.00 175.26 176.01 1sgf s PHE 12 N -1.38 -0.59 0.59 1.61 -0.71 -1.26 -5.17 117.98 111.07 1sgf s PHE 12 Ca 0.30 0.86 -0.17 0.00 -1.04 0.00 0.00 56.93 56.88 1sgf s PHE 12 Cb -0.13 0.45 -0.03 0.00 -1.21 0.00 0.00 43.02 42.10 1sgf s PHE 12 CO 0.22 -0.63 1.11 -1.12 -1.34 0.00 0.00 175.22 173.46 1sgf s SER 13 N -1.57 5.53 0.24 1.98 0.01 -1.26 -4.96 113.70 113.67 1sgf s SER 13 Ca -0.07 2.04 0.05 0.00 1.31 0.00 0.00 55.95 59.29 1sgf s SER 13 Cb -0.00 -2.56 0.25 0.00 0.21 0.00 0.00 66.02 63.91 1sgf s SER 13 CO 0.03 -1.34 1.55 1.62 0.41 0.00 0.00 173.24 175.52 1sgf h VAL 14 N 0.67 1.40 -3.62 3.43 3.04 -1.96 -3.43 116.25 115.79 1sgf h VAL 14 Ca -0.48 -2.05 -0.37 0.00 -1.01 0.00 0.00 66.70 62.79 1sgf h VAL 14 Cb 1.25 2.06 -0.32 0.00 -2.01 0.00 0.00 31.29 32.26 1sgf h VAL 14 CO 0.56 0.60 -0.76 0.00 -1.01 0.00 0.00 177.57 176.96 1sgf s ASP 16 N 0.59 6.35 0.20 0.00 1.01 -1.26 -4.96 116.67 118.60 1sgf s ASP 16 Ca -0.07 1.86 -0.02 0.00 0.71 0.00 0.00 52.55 55.03 1sgf s ASP 16 Cb -0.10 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 1sgf s ASP 16 CO -0.00 -0.77 0.15 -0.94 0.21 0.00 0.00 175.17 173.81 1sgf s SER 17 N -2.20 0.14 -0.01 0.27 1.04 -1.26 -2.51 113.70 109.17 1sgf s SER 17 Ca 0.66 -1.36 0.00 0.00 0.48 0.00 0.00 55.95 55.73 1sgf s SER 17 Cb -0.15 0.39 0.01 0.00 0.10 0.00 0.00 66.02 66.37 1sgf s SER 17 CO 0.22 -0.86 0.00 -0.69 0.98 0.00 0.00 173.24 172.90 1sgf s VAL 18 N -4.15 0.06 -0.14 5.02 1.01 -0.95 -4.87 120.40 116.38 1sgf s VAL 18 Ca 0.38 0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.42 1sgf s VAL 18 Cb 0.07 -0.10 0.01 0.00 0.00 0.00 0.00 36.38 36.35 1sgf s VAL 18 CO 0.12 0.05 -0.21 -0.44 0.00 0.00 0.00 175.10 174.62 1sgf s SER 19 N 0.36 3.20 0.13 3.32 0.01 -1.26 -2.40 113.70 117.05 1sgf s SER 19 Ca -0.03 -0.58 0.03 0.00 1.31 0.00 0.00 55.95 56.68 1sgf s SER 19 Cb -0.05 -1.46 -0.04 0.00 0.21 0.00 0.00 66.02 64.67 1sgf s SER 19 CO -0.01 0.09 -0.07 0.68 0.41 0.00 0.00 173.24 174.34 1sgf s VAL 20 N 0.78 0.85 -0.12 3.43 -7.23 -0.76 -4.99 120.40 112.36 1sgf s VAL 20 Ca -0.08 -1.98 -0.10 0.00 -1.81 0.00 0.00 61.98 58.02 1sgf s VAL 20 Cb -0.16 -1.81 -0.05 0.00 0.56 0.00 0.00 36.38 34.93 1sgf s VAL 20 CO -0.01 -0.77 0.20 0.26 -0.31 0.00 0.00 175.10 174.47 1sgf s TRP 21 N -3.53 3.57 -0.16 2.82 0.52 -1.26 -1.48 118.94 119.41 1sgf s TRP 21 Ca 0.15 0.57 0.01 0.00 0.02 0.00 0.00 56.10 56.85 1sgf s TRP 21 Cb 0.04 -2.08 0.01 0.00 -1.15 0.00 0.00 33.47 30.29 1sgf s TRP 21 CO -0.02 0.58 -0.17 0.08 0.02 0.00 0.00 176.95 177.44 1sgf s VAL 22 N -0.59 2.44 0.00 4.03 1.01 0.11 -4.92 120.40 122.48 1sgf s VAL 22 Ca 0.15 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1sgf s VAL 22 Cb -0.13 -2.02 0.00 0.00 0.00 0.00 0.00 36.38 34.23 1sgf s VAL 22 CO 0.04 0.52 0.01 0.61 0.00 0.00 0.00 175.10 176.28 1sgf n GLY 23 N 4.25 0.95 2.17 4.51 0.00 -1.26 -1.13 105.19 114.69 1sgf n GLY 23 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 1sgf n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1sgf n ASP 24 N -0.96 5.15 -4.63 1.61 5.75 -1.26 -4.96 116.55 117.25 1sgf n ASP 24 Ca 0.00 -3.70 -0.42 0.00 -0.01 0.00 0.00 54.79 50.67 1sgf n ASP 24 Cb 0.00 -0.86 -0.05 0.00 -1.03 0.00 0.00 41.12 39.18 1sgf n ASP 24 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 1sgf s LYS 25 N -3.50 4.07 -0.22 0.11 2.20 -1.26 -4.93 119.74 116.21 1sgf s LYS 25 Ca 0.59 0.71 -0.06 0.00 -0.36 0.00 0.00 55.97 56.85 1sgf s LYS 25 Cb 0.48 -3.68 -0.12 0.00 -1.51 0.00 0.00 37.83 33.00 1sgf s LYS 25 CO 0.05 -0.57 -0.25 0.25 -0.36 0.00 0.00 175.35 174.48 1sgf n THR 26 N 5.36 1.24 -4.32 3.43 -2.24 -1.26 -4.54 114.28 111.96 1sgf n THR 26 Ca 0.03 -0.38 -0.29 0.00 -2.27 0.00 0.00 64.05 61.14 1sgf n THR 26 Cb 0.48 -1.57 -0.11 0.00 -2.10 0.00 0.00 70.33 67.03 1sgf n THR 26 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1sgf s THR 27 N -2.42 2.77 0.26 4.28 -4.23 -1.26 0.14 115.64 115.17 1sgf s THR 27 Ca -0.31 -1.58 -0.17 0.00 -1.18 0.00 0.00 61.69 58.46 1sgf s THR 27 Cb 0.10 -2.27 0.01 0.00 1.34 0.00 0.00 72.50 71.68 1sgf s THR 27 CO 0.44 0.07 0.58 0.00 -0.54 0.00 0.00 174.62 175.18 1sgf s ALA 28 N -1.20 -0.70 -0.33 3.99 0.00 0.04 -4.87 121.76 118.68 1sgf s ALA 28 Ca 0.18 -0.59 -0.08 0.00 0.00 0.00 0.00 51.96 51.47 1sgf s ALA 28 Cb -0.10 0.96 0.03 0.00 0.00 0.00 0.00 23.12 24.01 1sgf s ALA 28 CO 0.10 -0.93 0.12 0.99 0.00 0.00 0.00 175.76 176.04 1sgf s THR 29 N -3.97 4.05 1.04 0.00 2.01 -1.26 -1.22 115.64 116.29 1sgf s THR 29 Ca 0.17 -0.92 -0.15 0.00 0.31 0.00 0.00 61.69 61.09 1sgf s THR 29 Cb -0.03 -3.22 0.10 0.00 0.01 0.00 0.00 72.50 69.36 1sgf s THR 29 CO 0.07 -0.11 0.35 -0.67 -0.69 0.00 0.00 174.62 173.57 1sgf n ASP 30 N 4.88 -2.00 0.20 3.53 2.03 -0.28 -1.81 116.55 123.10 1sgf n ASP 30 Ca -0.13 0.10 0.07 0.00 0.52 0.00 0.00 54.79 55.35 1sgf n ASP 30 Cb 0.46 -1.13 0.42 0.00 -0.72 0.00 0.00 41.12 40.15 1sgf n ASP 30 CO 0.00 0.00 0.00 -0.29 -1.92 0.00 0.00 177.20 174.99 1sgf h ILE 31 N -1.91 0.85 0.00 5.18 2.10 -1.75 -2.20 117.51 119.78 1sgf h ILE 31 Ca -0.50 -1.27 0.00 0.00 1.08 0.00 0.00 64.86 64.17 1sgf h ILE 31 Cb 1.32 1.77 0.00 0.00 -1.09 0.00 0.00 36.82 38.82 1sgf h ILE 31 CO 0.38 0.31 0.00 0.29 -1.08 0.00 0.00 178.15 178.05 1sgf n LYS 32 N -3.62 0.10 0.00 2.19 5.02 -1.26 -4.92 118.16 115.68 1sgf n LYS 32 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1sgf n LYS 32 Cb 0.44 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 1sgf n LYS 32 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1sgf n GLY 33 N 1.45 0.48 3.98 0.72 0.00 -0.83 -5.09 105.19 105.90 1sgf n GLY 33 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 1sgf n GLY 33 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1sgf s LYS 34 N -0.86 2.91 0.50 1.61 1.02 -1.26 -4.80 119.74 118.86 1sgf s LYS 34 Ca 0.00 -0.92 -0.17 0.00 0.02 0.00 0.00 55.97 54.90 1sgf s LYS 34 Cb 0.00 -2.68 -0.08 0.00 -0.52 0.00 0.00 37.83 34.55 1sgf s LYS 34 CO 0.00 -0.26 0.98 -2.00 -0.92 0.00 0.00 175.35 173.16 1sgf s GLU 35 N -4.42 3.97 -0.01 1.68 2.12 -1.26 -1.12 118.70 119.65 1sgf s GLU 35 Ca 0.51 1.00 -0.21 0.00 0.36 0.00 0.00 54.97 56.63 1sgf s GLU 35 Cb -0.10 -2.14 0.04 0.00 0.26 0.00 0.00 34.13 32.19 1sgf s GLU 35 CO 0.35 -0.26 0.45 0.54 -0.54 0.00 0.00 175.26 175.80 1sgf s VAL 36 N -2.54 0.04 -0.22 3.70 0.11 -0.36 -4.82 120.40 116.31 1sgf s VAL 36 Ca 0.60 -0.31 -0.06 0.00 -2.93 0.00 0.00 61.98 59.28 1sgf s VAL 36 Cb -0.10 -0.80 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 1sgf s VAL 36 CO 0.28 -0.17 0.03 -0.89 -3.33 0.00 0.00 175.10 171.03 1sgf s THR 37 N -1.50 4.19 0.57 5.04 2.01 -0.91 -0.78 115.64 124.25 1sgf s THR 37 Ca -0.11 -0.23 -0.17 0.00 0.31 0.00 0.00 61.69 61.49 1sgf s THR 37 Cb -0.03 -2.92 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 1sgf s THR 37 CO 0.05 0.40 1.07 -0.69 -0.69 0.00 0.00 174.62 174.76 1sgf s VAL 38 N 1.15 3.60 -0.25 3.82 1.01 0.37 -1.28 120.40 128.83 1sgf s VAL 38 Ca 0.03 0.86 -0.03 0.00 0.00 0.00 0.00 61.98 62.84 1sgf s VAL 38 Cb -0.14 -3.34 0.01 0.00 0.00 0.00 0.00 36.38 32.91 1sgf s VAL 38 CO 0.02 -0.36 -0.02 -0.22 0.00 0.00 0.00 175.10 174.52 1sgf s LEU 39 N -4.18 3.24 0.09 3.92 2.96 -1.02 -4.79 118.68 118.90 1sgf s LEU 39 Ca 0.67 -0.68 -0.35 0.00 -0.22 0.00 0.00 54.13 53.54 1sgf s LEU 39 Cb -0.18 -1.74 -0.16 0.00 0.50 0.00 0.00 46.19 44.61 1sgf s LEU 39 CO 0.32 -0.11 1.55 0.00 -1.32 0.00 0.00 176.35 176.78 1sgf h ALA 40 N 8.09 -1.10 -2.79 5.97 0.00 -1.91 -3.43 119.26 124.11 1sgf h ALA 40 Ca -0.35 -0.16 -0.62 0.00 0.00 0.00 0.00 54.91 53.78 1sgf h ALA 40 Cb 1.13 0.79 -0.05 0.00 0.00 0.00 0.00 17.79 19.66 1sgf h ALA 40 CO 0.59 -1.16 -0.43 -1.83 0.00 0.00 0.00 179.25 176.42 1sgf s GLU 41 N -5.76 3.52 0.14 0.00 -1.05 -1.26 -1.02 118.70 113.26 1sgf s GLU 41 Ca -0.17 -0.22 0.03 0.00 -0.15 0.00 0.00 54.97 54.46 1sgf s GLU 41 Cb 0.05 -3.04 -0.04 0.00 -0.44 0.00 0.00 34.13 30.66 1sgf s GLU 41 CO 0.59 0.62 -0.07 0.08 0.95 0.00 0.00 175.26 177.43 1sgf s VAL 42 N -1.41 0.90 0.00 1.83 1.01 0.05 -4.94 120.40 117.83 1sgf s VAL 42 Ca 0.31 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.30 1sgf s VAL 42 Cb -0.13 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.40 1sgf s VAL 42 CO 0.21 -0.73 0.00 -3.20 0.00 0.00 0.00 175.10 171.38 1sgf n ASN 43 N -0.15 0.00 -4.63 3.32 2.85 -1.26 -3.24 115.26 112.15 1sgf n ASN 43 Ca -0.10 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.11 1sgf n ASN 43 Cb 0.61 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 41.53 1sgf n ASN 43 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 1sgf s ILE 44 N 0.00 2.22 0.34 -1.44 1.01 -1.26 -5.00 121.20 117.06 1sgf s ILE 44 Ca 0.00 -1.98 0.25 0.00 0.00 0.00 0.00 60.65 58.92 1sgf s ILE 44 Cb 0.00 -2.89 0.37 0.00 0.01 0.00 0.00 42.46 39.96 1sgf s ILE 44 CO 0.00 -0.08 0.87 -0.46 0.00 0.00 0.00 174.94 175.27 1sgf n ASN 45 N -0.98 0.00 -3.28 3.58 0.23 -1.26 -3.89 115.26 109.66 1sgf n ASN 45 Ca -0.04 0.54 -0.06 0.00 -0.53 0.00 0.00 54.58 54.48 1sgf n ASN 45 Cb 0.65 -0.25 -0.05 0.00 -2.08 0.00 0.00 39.78 38.05 1sgf n ASN 45 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1sgf s ASN 46 N -3.72 -0.03 -0.74 0.53 0.01 -1.26 -5.05 114.94 104.68 1sgf s ASN 46 Ca -0.02 -0.06 -0.16 0.00 -0.71 0.00 0.00 52.86 51.90 1sgf s ASN 46 Cb 0.13 1.30 0.02 0.00 0.41 0.00 0.00 41.25 43.12 1sgf s ASN 46 CO 0.45 -0.33 0.30 -0.24 -1.51 0.00 0.00 177.10 175.77 1sgf n SER 47 N 5.37 -1.71 0.09 -1.22 2.88 -1.25 -4.86 113.62 112.93 1sgf n SER 47 Ca -0.00 -0.75 0.02 0.00 -1.33 0.00 0.00 58.87 56.81 1sgf n SER 47 Cb 0.50 -0.91 0.38 0.00 -0.75 0.00 0.00 64.21 63.43 1sgf n SER 47 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 1sgf h VAL 48 N -0.31 1.17 -1.87 2.46 2.07 -1.79 -3.43 116.25 114.55 1sgf h VAL 48 Ca -0.41 -0.74 0.00 0.00 0.82 0.00 0.00 66.70 66.37 1sgf h VAL 48 Cb 0.81 1.13 -0.23 0.00 -1.52 0.00 0.00 31.29 31.48 1sgf h VAL 48 CO 0.32 0.24 0.21 0.72 0.02 0.00 0.00 177.57 179.08 1sgf s PHE 49 N -4.81 -0.73 0.20 1.57 -0.12 -1.20 -5.05 117.98 107.84 1sgf s PHE 49 Ca -0.06 1.72 -0.04 0.00 -0.05 0.00 0.00 56.93 58.50 1sgf s PHE 49 Cb 0.16 0.34 -0.05 0.00 -0.63 0.00 0.00 43.02 42.84 1sgf s PHE 49 CO 0.74 -0.35 0.43 0.50 -0.05 0.00 0.00 175.22 176.48 1sgf s ARG 50 N 0.54 3.60 -0.41 1.99 3.52 -1.26 -0.77 118.95 126.16 1sgf s ARG 50 Ca -0.01 -0.12 -0.25 0.00 -0.13 0.00 0.00 55.73 55.22 1sgf s ARG 50 Cb -0.05 -2.79 0.02 0.00 -1.56 0.00 0.00 34.95 30.57 1sgf s ARG 50 CO -0.04 0.38 0.91 -0.65 -0.81 0.00 0.00 175.30 175.09 1sgf s GLN 51 N -3.07 3.69 -0.06 5.12 -0.21 -0.19 -4.93 119.66 120.01 1sgf s GLN 51 Ca 0.41 0.36 0.05 0.00 0.02 0.00 0.00 55.36 56.20 1sgf s GLN 51 Cb -0.11 -3.86 -0.02 0.00 1.00 0.00 0.00 33.01 30.02 1sgf s GLN 51 CO 0.27 -1.07 -0.21 0.71 -2.12 0.00 0.00 175.29 172.87 1sgf s TYR 52 N 3.57 2.53 -0.07 0.91 2.02 -1.26 -4.55 117.35 120.50 1sgf s TYR 52 Ca 0.37 -0.55 0.05 0.00 -0.37 0.00 0.00 57.07 56.57 1sgf s TYR 52 Cb -0.11 -1.63 -0.00 0.00 -0.40 0.00 0.00 41.96 39.82 1sgf s TYR 52 CO 0.22 -0.10 -0.23 -0.06 -1.57 0.00 0.00 175.55 173.81 1sgf s PHE 53 N -0.28 2.38 -0.36 2.71 0.08 -0.28 -4.91 117.98 117.32 1sgf s PHE 53 Ca 0.01 -0.83 -0.21 0.00 0.12 0.00 0.00 56.93 56.02 1sgf s PHE 53 Cb -0.13 -1.58 0.00 0.00 -0.57 0.00 0.00 43.02 40.75 1sgf s PHE 53 CO 0.03 -0.30 0.68 0.12 -0.10 0.00 0.00 175.22 175.64 1sgf s PHE 54 N 0.10 3.14 0.12 0.36 5.36 -1.26 0.08 117.98 125.89 1sgf s PHE 54 Ca -0.10 0.40 0.10 0.00 -0.96 0.00 0.00 56.93 56.37 1sgf s PHE 54 Cb -0.15 -3.21 -0.04 0.00 -0.34 0.00 0.00 43.02 39.28 1sgf s PHE 54 CO 0.06 -0.66 -0.21 -1.21 -1.46 0.00 0.00 175.22 171.74 1sgf s GLU 55 N 2.81 1.65 -0.07 10.12 2.02 -0.55 -4.87 118.70 129.82 1sgf s GLU 55 Ca 0.26 -1.25 -0.01 0.00 0.02 0.00 0.00 54.97 53.99 1sgf s GLU 55 Cb -0.14 -2.03 0.03 0.00 0.10 0.00 0.00 34.13 32.08 1sgf s GLU 55 CO 0.15 0.47 0.01 0.99 0.02 0.00 0.00 175.26 176.90 1sgf s THR 56 N -1.14 0.29 0.47 3.63 2.01 -0.96 -1.82 115.64 118.12 1sgf s THR 56 Ca 0.17 0.18 0.04 0.00 0.31 0.00 0.00 61.69 62.38 1sgf s THR 56 Cb -0.10 -0.47 -0.04 0.00 0.01 0.00 0.00 72.50 71.90 1sgf s THR 56 CO 0.09 0.24 0.03 -0.54 -0.69 0.00 0.00 174.62 173.75 1sgf s LYS 57 N 2.01 2.11 0.49 4.92 1.02 -1.01 -2.67 119.74 126.60 1sgf s LYS 57 Ca 0.05 -2.25 -0.05 0.00 0.02 0.00 0.00 55.97 53.73 1sgf s LYS 57 Cb -0.12 -1.62 -0.04 0.00 -0.52 0.00 0.00 37.83 35.54 1sgf s LYS 57 CO -0.05 -0.24 0.80 0.00 -0.92 0.00 0.00 175.35 174.94 1sgf n ARG 59 N -2.28 0.73 -3.61 0.00 1.74 -1.04 -4.81 116.66 107.38 1sgf n ARG 59 Ca 0.01 0.26 -0.11 0.00 -0.77 0.00 0.00 57.85 57.24 1sgf n ARG 59 Cb 0.55 -1.72 -0.03 0.00 -1.02 0.00 0.00 32.46 30.24 1sgf n ARG 59 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sgf s ALA 60 N -2.56 -1.13 0.03 7.54 0.00 -1.26 -5.04 121.76 119.33 1sgf s ALA 60 Ca -0.19 0.04 0.10 0.00 0.00 0.00 0.00 51.96 51.91 1sgf s ALA 60 Cb 0.07 0.81 -0.21 0.00 0.00 0.00 0.00 23.12 23.79 1sgf s ALA 60 CO 0.77 -0.74 0.98 0.77 0.00 0.00 0.00 175.76 177.54 1sgf h SER 61 N 2.19 0.00 -2.64 0.00 0.02 -1.95 -3.39 113.55 107.78 1sgf h SER 61 Ca -0.32 0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.03 1sgf h SER 61 Cb 1.27 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.41 1sgf h SER 61 CO 0.41 0.98 -0.74 0.59 -1.14 0.00 0.00 176.83 176.92 1sgf n ASN 62 N -3.19 1.91 -0.24 3.07 4.13 -1.26 -2.45 115.26 117.23 1sgf n ASN 62 Ca -0.08 -2.97 0.14 0.00 1.68 0.00 0.00 54.58 53.35 1sgf n ASN 62 Cb 0.99 -0.68 0.43 0.00 -1.54 0.00 0.00 39.78 38.98 1sgf n ASN 62 CO 0.00 0.00 0.00 -0.65 0.28 0.00 0.00 177.26 176.89 1sgf h PRO 63 N 5.13 0.56 -4.87 3.52 0.11 -1.75 -3.35 132.00 131.35 1sgf h PRO 63 Ca 0.18 -0.03 -0.54 0.00 0.11 0.00 0.00 66.00 65.72 1sgf h PRO 63 Cb 0.79 -0.13 -0.32 0.00 0.11 0.00 0.00 31.00 31.45 1sgf h PRO 63 CO 0.62 0.37 -0.83 0.08 -0.21 0.00 0.00 178.00 178.03 1sgf s VAL 64 N -5.57 1.29 -1.14 3.15 1.01 -1.16 -5.03 120.40 112.95 1sgf s VAL 64 Ca -0.09 -0.60 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1sgf s VAL 64 Cb 0.22 -1.14 0.00 0.00 0.00 0.00 0.00 36.38 35.45 1sgf s VAL 64 CO 0.78 0.38 0.24 1.21 0.00 0.00 0.00 175.10 177.72 1sgf n GLU 65 N 3.53 0.00 -0.00 2.72 4.07 -1.26 0.22 120.64 129.93 1sgf n GLU 65 Ca -0.21 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 56.99 1sgf n GLU 65 Cb 0.52 -1.42 -0.12 0.00 -0.06 0.00 0.00 31.44 30.36 1sgf n GLU 65 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1sgf n SER 66 N -0.70 0.83 0.00 4.31 2.88 -1.26 -5.05 113.62 114.62 1sgf n SER 66 Ca 0.00 -0.80 0.00 0.00 -1.33 0.00 0.00 58.87 56.74 1sgf n SER 66 Cb 0.00 1.16 0.00 0.00 -0.75 0.00 0.00 64.21 64.62 1sgf n SER 66 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1sgf n GLY 67 N 1.45 0.16 3.82 0.46 0.00 0.13 -3.91 105.19 107.29 1sgf n GLY 67 Ca 0.02 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.39 1sgf n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1sgf s ARG 69 N -4.09 4.45 0.00 0.00 0.52 -0.38 -3.84 118.95 115.61 1sgf s ARG 69 Ca 0.61 1.74 0.00 0.00 -0.52 0.00 0.00 55.73 57.56 1sgf s ARG 69 Cb -0.13 -2.96 0.00 0.00 0.52 0.00 0.00 34.95 32.38 1sgf s ARG 69 CO 0.35 0.06 0.00 0.41 0.02 0.00 0.00 175.30 176.14 1sgf n GLY 70 N 0.90 0.59 3.87 -3.53 0.00 -1.26 -4.77 105.19 100.99 1sgf n GLY 70 Ca 0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 1sgf n GLY 70 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1sgf s ILE 71 N -2.35 4.84 -1.27 -0.61 -1.09 -1.25 -4.97 121.20 114.49 1sgf s ILE 71 Ca 0.00 0.58 -0.18 0.00 -2.23 0.00 0.00 60.65 58.82 1sgf s ILE 71 Cb 0.00 -3.67 0.07 0.00 -1.58 0.00 0.00 42.46 37.29 1sgf s ILE 71 CO 0.00 -0.27 1.70 -0.62 -1.23 0.00 0.00 174.94 174.52 1sgf s ASP 72 N -2.69 6.82 0.57 3.58 2.15 -1.26 -4.84 116.67 121.00 1sgf s ASP 72 Ca 0.50 -2.40 0.43 0.00 0.43 0.00 0.00 52.55 51.51 1sgf s ASP 72 Cb -0.11 -2.57 1.47 0.00 -0.30 0.00 0.00 42.92 41.42 1sgf s ASP 72 CO 0.24 -1.17 1.47 -0.24 -0.17 0.00 0.00 175.17 175.30 1sgf n SER 73 N 8.29 0.00 0.13 -0.34 2.88 -1.26 0.27 113.62 123.59 1sgf n SER 73 Ca 0.47 0.92 0.02 0.00 -1.33 0.00 0.00 58.87 58.95 1sgf n SER 73 Cb 0.46 -0.42 0.01 0.00 -0.75 0.00 0.00 64.21 63.52 1sgf n SER 73 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1sgf h LYS 74 N 0.00 0.00 0.00 -1.46 1.79 -2.01 -3.36 116.57 111.54 1sgf h LYS 74 Ca 0.80 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.94 1sgf h LYS 74 Cb 3.52 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 34.11 1sgf h LYS 74 CO -0.01 0.48 -2.26 0.72 -1.08 0.00 0.00 179.45 177.30 1sgf n HIS 75 N -3.19 0.00 -4.51 -1.35 8.25 0.14 -4.82 115.22 109.74 1sgf n HIS 75 Ca 0.01 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.20 1sgf n HIS 75 Cb 0.74 -0.87 -0.13 0.00 1.12 0.00 0.00 29.99 30.85 1sgf n HIS 75 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1sgf s TRP 76 N -2.44 2.06 -0.17 4.41 0.52 -0.35 -1.04 118.94 121.93 1sgf s TRP 76 Ca -0.21 -0.40 -0.09 0.00 0.02 0.00 0.00 56.10 55.43 1sgf s TRP 76 Cb 0.07 -1.16 -0.05 0.00 -1.15 0.00 0.00 33.47 31.18 1sgf s TRP 76 CO 0.61 0.21 0.12 -0.80 0.02 0.00 0.00 176.95 177.11 1sgf s ASN 77 N -1.68 6.19 0.03 2.95 0.02 -0.76 -4.39 114.94 117.30 1sgf s ASN 77 Ca 0.10 0.29 0.00 0.00 -1.02 0.00 0.00 52.86 52.24 1sgf s ASN 77 Cb -0.10 -2.06 -0.03 0.00 0.02 0.00 0.00 41.25 39.09 1sgf s ASN 77 CO 0.04 0.26 -0.04 -0.94 0.02 0.00 0.00 177.10 176.44 1sgf s SER 78 N -0.12 0.45 -0.08 -1.22 1.04 -1.25 -2.20 113.70 110.32 1sgf s SER 78 Ca 0.10 -0.61 -0.19 0.00 0.48 0.00 0.00 55.95 55.72 1sgf s SER 78 Cb -0.11 0.10 0.04 0.00 0.10 0.00 0.00 66.02 66.15 1sgf s SER 78 CO 0.00 -0.34 0.45 -0.72 0.98 0.00 0.00 173.24 173.62 1sgf s TYR 79 N -1.94 -0.41 -0.15 5.02 -0.85 -1.19 -4.05 117.35 113.77 1sgf s TYR 79 Ca -0.10 0.83 -0.16 0.00 -0.52 0.00 0.00 57.07 57.13 1sgf s TYR 79 Cb -0.06 0.20 -0.04 0.00 0.38 0.00 0.00 41.96 42.43 1sgf s TYR 79 CO -0.02 -0.39 0.38 0.00 -1.52 0.00 0.00 175.55 174.00 1sgf s THR 81 N 0.67 1.78 -0.15 0.00 -1.32 -0.26 -4.61 115.64 111.74 1sgf s THR 81 Ca 0.20 -1.85 -0.19 0.00 -1.21 0.00 0.00 61.69 58.65 1sgf s THR 81 Cb -0.14 -1.78 -0.04 0.00 -1.51 0.00 0.00 72.50 69.03 1sgf s THR 81 CO 0.07 -0.28 0.51 -0.89 -2.21 0.00 0.00 174.62 171.82 1sgf s THR 82 N -1.92 5.14 0.06 5.08 2.01 -1.26 -1.33 115.64 123.42 1sgf s THR 82 Ca 0.14 0.99 -0.08 0.00 0.31 0.00 0.00 61.69 63.05 1sgf s THR 82 Cb -0.06 -3.84 -0.05 0.00 0.01 0.00 0.00 72.50 68.55 1sgf s THR 82 CO 0.06 0.25 0.35 -0.89 -0.69 0.00 0.00 174.62 173.71 1sgf s THR 83 N 1.09 5.17 0.41 -0.82 2.01 -0.20 -4.95 115.64 118.35 1sgf s THR 83 Ca 0.26 0.31 0.08 0.00 0.31 0.00 0.00 61.69 62.64 1sgf s THR 83 Cb -0.15 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 1sgf s THR 83 CO 0.10 0.29 0.26 -1.00 -0.69 0.00 0.00 174.62 173.58 1sgf s HIS 84 N -1.39 2.66 0.15 4.92 3.76 -1.26 -0.34 115.29 123.79 1sgf s HIS 84 Ca 0.32 -0.53 -0.03 0.00 -0.15 0.00 0.00 55.06 54.67 1sgf s HIS 84 Cb -0.13 -2.02 -0.03 0.00 1.11 0.00 0.00 32.58 31.50 1sgf s HIS 84 CO 0.18 0.07 0.12 -0.08 -0.85 0.00 0.00 174.74 174.18 1sgf s THR 85 N -2.53 0.07 -0.16 1.30 -1.32 0.13 -4.77 115.64 108.36 1sgf s THR 85 Ca 0.44 -1.82 -0.03 0.00 -1.21 0.00 0.00 61.69 59.06 1sgf s THR 85 Cb 0.00 -2.10 -0.02 0.00 -1.51 0.00 0.00 72.50 68.87 1sgf s THR 85 CO 0.25 -0.34 -0.04 -0.36 -2.21 0.00 0.00 174.62 171.92 1sgf s PHE 86 N -4.05 3.00 -0.03 9.09 0.08 -1.26 -0.46 117.98 124.34 1sgf s PHE 86 Ca 0.26 -0.40 0.04 0.00 0.12 0.00 0.00 56.93 56.94 1sgf s PHE 86 Cb 0.06 -1.97 -0.00 0.00 -0.57 0.00 0.00 43.02 40.54 1sgf s PHE 86 CO 0.04 -0.11 -0.13 0.08 -0.10 0.00 0.00 175.22 174.99 1sgf s VAL 87 N 0.51 1.10 0.17 -0.44 1.01 -0.83 -4.90 120.40 117.03 1sgf s VAL 87 Ca -0.04 -0.55 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 1sgf s VAL 87 Cb -0.14 -0.96 -0.08 0.00 0.00 0.00 0.00 36.38 35.20 1sgf s VAL 87 CO 0.03 0.33 1.21 -0.75 0.00 0.00 0.00 175.10 175.91 1sgf s LYS 88 N 0.05 4.48 -0.04 2.72 2.47 -1.26 -0.73 119.74 127.43 1sgf s LYS 88 Ca -0.02 1.88 -0.27 0.00 -1.56 0.00 0.00 55.97 56.00 1sgf s LYS 88 Cb -0.09 -3.25 0.06 0.00 -1.46 0.00 0.00 37.83 33.09 1sgf s LYS 88 CO 0.01 -0.12 0.59 0.00 0.16 0.00 0.00 175.35 175.99 1sgf s ALA 89 N 0.08 -1.53 0.16 3.13 0.00 0.80 -4.92 121.76 119.49 1sgf s ALA 89 Ca 0.54 1.06 -0.30 0.00 0.00 0.00 0.00 51.96 53.26 1sgf s ALA 89 Cb -0.33 0.03 -0.08 0.00 0.00 0.00 0.00 23.12 22.75 1sgf s ALA 89 CO 0.36 -0.35 1.27 -0.51 0.00 0.00 0.00 175.76 176.53 1sgf s LEU 90 N -1.25 4.41 0.36 0.00 1.43 -1.26 -0.42 118.68 121.95 1sgf s LEU 90 Ca -0.11 2.29 -0.10 0.00 -1.03 0.00 0.00 54.13 55.18 1sgf s LEU 90 Cb -0.01 -3.60 0.03 0.00 0.03 0.00 0.00 46.19 42.64 1sgf s LEU 90 CO 0.08 -0.49 0.64 0.42 0.23 0.00 0.00 176.35 177.23 1sgf s THR 91 N 0.33 0.00 -0.02 5.49 -4.23 -0.58 -2.44 115.64 114.19 1sgf s THR 91 Ca 0.57 -1.28 -0.07 0.00 -1.18 0.00 0.00 61.69 59.73 1sgf s THR 91 Cb -0.34 -2.72 0.01 0.00 1.34 0.00 0.00 72.50 70.78 1sgf s THR 91 CO 0.35 0.00 0.15 0.28 -0.54 0.00 0.00 174.62 174.87 1sgf s THR 92 N -2.74 0.06 -0.23 3.99 -1.32 -0.40 -1.37 115.64 113.62 1sgf s THR 92 Ca 0.22 -0.47 -0.03 0.00 -1.21 0.00 0.00 61.69 60.20 1sgf s THR 92 Cb -0.03 -0.38 -0.13 0.00 -1.51 0.00 0.00 72.50 70.45 1sgf s THR 92 CO 0.15 -0.26 -0.24 -0.90 -2.21 0.00 0.00 174.62 171.16 1sgf n ASP 93 N 1.93 2.05 0.03 8.08 5.75 -1.06 -2.13 116.55 131.20 1sgf n ASP 93 Ca -0.20 0.02 0.00 0.00 -0.01 0.00 0.00 54.79 54.61 1sgf n ASP 93 Cb 0.57 -0.48 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 1sgf n ASP 93 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1sgf n GLU 94 N -3.49 0.00 0.00 0.11 4.71 -1.26 -4.96 120.64 115.76 1sgf n GLU 94 Ca -0.43 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 56.72 1sgf n GLU 94 Cb 0.90 0.00 0.00 0.00 -1.01 0.00 0.00 31.44 31.33 1sgf n GLU 94 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1sgf n LYS 95 N -2.66 2.28 -3.11 3.49 4.76 -1.26 -5.08 118.16 116.58 1sgf n LYS 95 Ca 0.00 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.03 1sgf n LYS 95 Cb 0.00 -0.19 -0.06 0.00 -1.84 0.00 0.00 35.03 32.94 1sgf n LYS 95 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1sgf s GLN 96 N 0.00 3.96 -0.15 1.97 -0.21 -1.26 -5.04 119.66 118.92 1sgf s GLN 96 Ca 0.00 0.37 -0.03 0.00 0.02 0.00 0.00 55.36 55.72 1sgf s GLN 96 Cb 0.00 -3.71 -0.03 0.00 1.00 0.00 0.00 33.01 30.28 1sgf s GLN 96 CO 0.00 -0.53 -0.05 0.00 -2.12 0.00 0.00 175.29 172.59 1sgf s ALA 97 N 2.59 2.95 0.38 6.09 0.00 -1.26 -2.56 121.76 129.96 1sgf s ALA 97 Ca 0.26 -0.84 -0.15 0.00 0.00 0.00 0.00 51.96 51.23 1sgf s ALA 97 Cb -0.15 -1.52 0.05 0.00 0.00 0.00 0.00 23.12 21.50 1sgf s ALA 97 CO 0.11 0.20 0.77 0.00 0.00 0.00 0.00 175.76 176.84 1sgf s ALA 98 N 0.39 -0.67 -0.36 0.00 0.00 -0.47 -4.95 121.76 115.71 1sgf s ALA 98 Ca -0.05 -0.78 -0.29 0.00 0.00 0.00 0.00 51.96 50.84 1sgf s ALA 98 Cb -0.14 0.71 0.01 0.00 0.00 0.00 0.00 23.12 23.69 1sgf s ALA 98 CO 0.03 -0.98 1.30 -1.58 0.00 0.00 0.00 175.76 174.53 1sgf s TRP 99 N -2.40 2.65 0.10 0.00 0.52 -1.26 -1.53 118.94 117.01 1sgf s TRP 99 Ca 0.16 0.81 0.07 0.00 0.02 0.00 0.00 56.10 57.17 1sgf s TRP 99 Cb -0.05 -4.08 -0.03 0.00 -1.15 0.00 0.00 33.47 28.16 1sgf s TRP 99 CO 0.12 -1.67 -0.19 1.03 0.02 0.00 0.00 176.95 176.26 1sgf s ARG 100 N 4.39 1.04 -0.31 4.98 0.52 0.44 -4.82 118.95 125.19 1sgf s ARG 100 Ca 0.56 -1.12 -0.28 0.00 -0.52 0.00 0.00 55.73 54.37 1sgf s ARG 100 Cb -0.14 -1.21 0.01 0.00 0.52 0.00 0.00 34.95 34.13 1sgf s ARG 100 CO 0.26 0.28 1.01 -0.06 0.02 0.00 0.00 175.30 176.81 1sgf s PHE 101 N -1.28 3.17 0.11 -0.53 0.08 -1.26 -0.14 117.98 118.13 1sgf s PHE 101 Ca 0.05 1.12 0.05 0.00 0.12 0.00 0.00 56.93 58.26 1sgf s PHE 101 Cb -0.10 -3.57 -0.04 0.00 -0.57 0.00 0.00 43.02 38.75 1sgf s PHE 101 CO 0.04 -0.71 0.01 0.96 -0.10 0.00 0.00 175.22 175.42 1sgf s ILE 102 N 3.47 4.02 -0.33 0.64 -4.36 0.09 -2.09 121.20 122.64 1sgf s ILE 102 Ca 0.42 -1.06 -0.29 0.00 -0.26 0.00 0.00 60.65 59.46 1sgf s ILE 102 Cb -0.13 -2.95 0.01 0.00 1.25 0.00 0.00 42.46 40.65 1sgf s ILE 102 CO 0.14 0.06 1.20 -0.60 0.24 0.00 0.00 174.94 175.99 1sgf s ARG 103 N -2.49 3.94 -0.06 0.37 3.52 -0.75 -1.96 118.95 121.53 1sgf s ARG 103 Ca 0.27 1.10 0.05 0.00 -0.13 0.00 0.00 55.73 57.02 1sgf s ARG 103 Cb -0.11 -3.83 -0.02 0.00 -1.56 0.00 0.00 34.95 29.43 1sgf s ARG 103 CO 0.19 -1.08 -0.19 0.42 -0.81 0.00 0.00 175.30 173.83 1sgf s ILE 104 N 4.13 2.61 0.31 4.11 -1.09 0.39 -4.70 121.20 126.97 1sgf s ILE 104 Ca 0.51 -0.88 -0.29 0.00 -2.23 0.00 0.00 60.65 57.77 1sgf s ILE 104 Cb -0.14 -2.00 -0.10 0.00 -1.58 0.00 0.00 42.46 38.64 1sgf s ILE 104 CO 0.21 0.57 1.36 -1.81 -1.23 0.00 0.00 174.94 174.05 1sgf s ASP 105 N -0.40 6.69 0.00 3.58 1.11 -1.26 0.19 116.67 126.58 1sgf s ASP 105 Ca 0.04 2.72 0.00 0.00 0.18 0.00 0.00 52.55 55.49 1sgf s ASP 105 Cb -0.12 -2.64 0.00 0.00 1.07 0.00 0.00 42.92 41.22 1sgf s ASP 105 CO 0.02 -0.62 0.00 0.35 1.18 0.00 0.00 175.17 176.10 1sgf n THR 106 N 1.17 0.00 -3.94 -1.27 -2.24 0.54 -2.27 114.28 106.27 1sgf n THR 106 Ca 0.02 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.70 1sgf n THR 106 Cb 0.41 -0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.51 1sgf n THR 106 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1sgf s ALA 107 N -1.00 -0.39 -0.25 6.98 0.00 -1.07 -4.37 121.76 121.66 1sgf s ALA 107 Ca 0.00 -0.84 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 1sgf s ALA 107 Cb 0.00 0.95 0.07 0.00 0.00 0.00 0.00 23.12 24.14 1sgf s ALA 107 CO 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 175.76 174.87 1sgf s VAL 109 N 1.54 3.26 -0.14 0.00 -7.23 -0.45 -4.75 120.40 112.64 1sgf s VAL 109 Ca 0.01 -1.46 -0.05 0.00 -1.81 0.00 0.00 61.98 58.67 1sgf s VAL 109 Cb -0.18 -3.10 -0.04 0.00 0.56 0.00 0.00 36.38 33.62 1sgf s VAL 109 CO -0.12 -0.15 0.04 0.00 -0.31 0.00 0.00 175.10 174.55 1sgf s VAL 111 N -0.27 3.95 0.03 0.00 1.01 -0.55 -4.98 120.40 119.59 1sgf s VAL 111 Ca 0.07 -1.34 0.02 0.00 0.00 0.00 0.00 61.98 60.73 1sgf s VAL 111 Cb -0.12 -3.00 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 1sgf s VAL 111 CO 0.02 -0.12 -0.06 -0.76 0.00 0.00 0.00 175.10 174.17 1sgf s LEU 112 N -3.03 2.19 0.17 3.92 1.02 -1.26 -3.16 118.68 118.53 1sgf s LEU 112 Ca 0.29 -0.42 -0.06 0.00 0.02 0.00 0.00 54.13 53.95 1sgf s LEU 112 Cb -0.09 -0.13 -0.02 0.00 0.02 0.00 0.00 46.19 45.96 1sgf s LEU 112 CO 0.20 -0.16 0.23 -0.94 0.02 0.00 0.00 176.35 175.71 1sgf s SER 113 N -1.19 0.10 0.03 2.29 1.04 -0.93 -5.01 113.70 110.03 1sgf s SER 113 Ca -0.08 -1.05 -0.14 0.00 0.48 0.00 0.00 55.95 55.16 1sgf s SER 113 Cb -0.08 0.42 -0.06 0.00 0.10 0.00 0.00 66.02 66.40 1sgf s SER 113 CO 0.00 -0.88 0.43 -0.60 0.98 0.00 0.00 173.24 173.17 1sgf s ARG 114 N -4.03 3.91 -0.22 4.02 3.52 -1.26 -1.83 118.95 123.07 1sgf s ARG 114 Ca 0.24 0.40 -0.25 0.00 -0.13 0.00 0.00 55.73 55.99 1sgf s ARG 114 Cb 0.04 -3.16 -0.01 0.00 -1.56 0.00 0.00 34.95 30.27 1sgf s ARG 114 CO 0.04 0.65 0.84 0.21 -0.81 0.00 0.00 175.30 176.23 1sgf s LYS 115 N -1.30 4.23 0.40 5.12 2.20 -0.21 -4.75 119.74 125.44 1sgf s LYS 115 Ca 0.27 1.00 0.20 0.00 -0.36 0.00 0.00 55.97 57.08 1sgf s LYS 115 Cb -0.16 -3.62 0.81 0.00 -1.51 0.00 0.00 37.83 33.35 1sgf s LYS 115 CO 0.15 -0.46 1.80 0.00 -0.36 0.00 0.00 175.35 176.48 1sgf h ALA 116 N 7.54 1.07 -2.28 3.13 0.00 -1.94 -3.45 119.26 123.33 1sgf h ALA 116 Ca -0.25 -0.30 -0.58 0.00 0.00 0.00 0.00 54.91 53.78 1sgf h ALA 116 Cb 1.10 -0.05 0.06 0.00 0.00 0.00 0.00 17.79 18.90 1sgf h ALA 116 CO 0.87 0.41 0.75 0.25 0.00 0.00 0.00 179.25 181.53 1sgf n THR 117 N -3.58 0.20 0.88 0.00 -2.24 -1.26 -5.23 114.28 103.05 1sgf n THR 117 Ca -0.01 -0.05 0.11 0.00 -2.27 0.00 0.00 64.05 61.83 1sgf n THR 117 Cb 0.46 -1.51 0.09 0.00 -2.10 0.00 0.00 70.33 67.26 1sgf n THR 117 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04