#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sgf n MET 9 N 0.00 1.49 0.00 -0.41 2.81 -1.26 -4.93 117.12 114.83 1sgf n MET 9 Ca 0.00 -0.76 0.00 0.00 -1.81 0.00 0.00 57.70 55.13 1sgf n MET 9 Cb 0.00 -1.17 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 1sgf n MET 9 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1sgf n GLY 10 N 0.83 1.74 3.88 3.03 0.00 -1.26 -5.12 105.19 108.28 1sgf n GLY 10 Ca 0.07 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1sgf n GLY 10 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sgf s GLU 11 N 2.50 3.75 0.15 1.61 2.02 -1.26 -5.11 118.70 122.36 1sgf s GLU 11 Ca 0.00 0.24 -0.19 0.00 0.02 0.00 0.00 54.97 55.04 1sgf s GLU 11 Cb 0.00 -2.59 0.05 0.00 0.10 0.00 0.00 34.13 31.69 1sgf s GLU 11 CO 0.00 0.21 0.50 -0.59 0.02 0.00 0.00 175.26 175.40 1sgf s PHE 12 N -2.01 -0.35 0.44 1.61 -0.12 -1.26 -5.05 117.98 111.25 1sgf s PHE 12 Ca 0.47 0.08 -0.23 0.00 -0.05 0.00 0.00 56.93 57.20 1sgf s PHE 12 Cb -0.11 0.41 -0.08 0.00 -0.63 0.00 0.00 43.02 42.61 1sgf s PHE 12 CO 0.25 -0.79 1.13 -1.12 -0.05 0.00 0.00 175.22 174.65 1sgf s SER 13 N -2.78 6.34 0.30 1.98 0.01 -1.26 -4.95 113.70 113.34 1sgf s SER 13 Ca 0.02 2.21 0.11 0.00 1.31 0.00 0.00 55.95 59.61 1sgf s SER 13 Cb 0.00 -2.60 0.45 0.00 0.21 0.00 0.00 66.02 64.09 1sgf s SER 13 CO -0.12 -0.79 1.67 0.58 0.41 0.00 0.00 173.24 174.99 1sgf h VAL 14 N 1.95 1.40 -3.63 3.43 2.07 -1.95 -3.42 116.25 116.09 1sgf h VAL 14 Ca -0.49 -1.90 -0.42 0.00 0.82 0.00 0.00 66.70 64.71 1sgf h VAL 14 Cb 1.24 2.02 -0.32 0.00 -1.52 0.00 0.00 31.29 32.71 1sgf h VAL 14 CO 0.61 0.54 -0.78 0.00 0.02 0.00 0.00 177.57 177.96 1sgf s ASP 16 N 0.51 7.02 0.20 0.00 1.11 -1.26 -4.96 116.67 119.29 1sgf s ASP 16 Ca -0.08 1.94 -0.01 0.00 0.18 0.00 0.00 52.55 54.59 1sgf s ASP 16 Cb -0.11 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.25 1sgf s ASP 16 CO 0.01 -0.30 0.13 -0.94 1.18 0.00 0.00 175.17 175.24 1sgf s SER 17 N -1.61 0.25 -0.02 0.27 1.04 -1.26 -1.70 113.70 110.67 1sgf s SER 17 Ca 0.55 -1.39 -0.01 0.00 0.48 0.00 0.00 55.95 55.58 1sgf s SER 17 Cb -0.20 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.29 1sgf s SER 17 CO 0.25 -0.83 0.04 0.68 0.98 0.00 0.00 173.24 174.37 1sgf s VAL 18 N -4.12 -0.03 -0.17 5.02 -7.23 -0.80 -4.85 120.40 108.23 1sgf s VAL 18 Ca 0.39 0.09 -0.01 0.00 -1.81 0.00 0.00 61.98 60.64 1sgf s VAL 18 Cb 0.07 -0.08 -0.01 0.00 0.56 0.00 0.00 36.38 36.92 1sgf s VAL 18 CO 0.12 0.04 -0.11 -0.44 -0.31 0.00 0.00 175.10 174.40 1sgf s SER 19 N 0.50 4.02 0.13 4.85 0.01 -1.26 -2.38 113.70 119.57 1sgf s SER 19 Ca -0.04 -0.39 0.04 0.00 1.31 0.00 0.00 55.95 56.87 1sgf s SER 19 Cb -0.06 -1.64 -0.04 0.00 0.21 0.00 0.00 66.02 64.49 1sgf s SER 19 CO -0.02 0.08 -0.09 0.68 0.41 0.00 0.00 173.24 174.30 1sgf s VAL 20 N 0.86 1.02 -0.23 3.43 -7.23 -0.38 -4.99 120.40 112.88 1sgf s VAL 20 Ca -0.03 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.05 1sgf s VAL 20 Cb -0.15 -1.77 -0.05 0.00 0.56 0.00 0.00 36.38 34.98 1sgf s VAL 20 CO 0.00 -0.77 0.13 0.26 -0.31 0.00 0.00 175.10 174.41 1sgf s TRP 21 N -3.35 3.28 -0.18 2.82 0.52 -1.26 -1.21 118.94 119.56 1sgf s TRP 21 Ca 0.14 0.13 -0.07 0.00 0.02 0.00 0.00 56.10 56.32 1sgf s TRP 21 Cb 0.03 -2.23 -0.04 0.00 -1.15 0.00 0.00 33.47 30.08 1sgf s TRP 21 CO -0.01 0.03 0.05 0.08 0.02 0.00 0.00 176.95 177.12 1sgf s VAL 22 N 1.00 4.68 0.00 4.03 1.01 -0.13 -4.92 120.40 126.07 1sgf s VAL 22 Ca 0.06 -0.07 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1sgf s VAL 22 Cb -0.13 -3.10 0.00 0.00 0.00 0.00 0.00 36.38 33.14 1sgf s VAL 22 CO 0.04 0.46 0.59 0.61 0.00 0.00 0.00 175.10 176.80 1sgf n GLY 23 N 3.54 -0.68 0.52 4.51 0.00 -1.26 -1.88 105.19 109.94 1sgf n GLY 23 Ca -0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.15 2.41 -4.70 1.61 5.75 -1.26 -5.01 116.55 115.20 1sgf n ASP 24 Ca 0.00 -3.43 -0.42 0.00 -0.01 0.00 0.00 54.79 50.93 1sgf n ASP 24 Cb 0.37 -0.51 -0.03 0.00 -1.03 0.00 0.00 41.12 39.92 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 -3.04 4.44 -0.04 0.11 2.20 -1.26 -4.91 119.74 117.23 1sgf s LYS 25 Ca 0.37 1.53 0.02 0.00 -0.36 0.00 0.00 55.97 57.53 1sgf s LYS 25 Cb 0.34 -3.50 -0.04 0.00 -1.51 0.00 0.00 37.83 33.11 1sgf s LYS 25 CO 0.00 -0.28 -0.01 0.25 -0.36 0.00 0.00 175.35 174.95 1sgf n THR 26 N 4.34 0.26 -4.42 3.43 -2.24 -1.26 -4.70 114.28 109.68 1sgf n THR 26 Ca 0.09 -0.14 -0.28 0.00 -2.27 0.00 0.00 64.05 61.45 1sgf n THR 26 Cb 0.48 -0.81 -0.13 0.00 -2.10 0.00 0.00 70.33 67.77 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 -2.09 2.07 0.02 4.28 -4.23 -1.26 0.61 115.64 115.04 1sgf s THR 27 Ca -0.04 -1.64 -0.18 0.00 -1.18 0.00 0.00 61.69 58.66 1sgf s THR 27 Cb 0.01 -1.84 0.03 0.00 1.34 0.00 0.00 72.50 72.05 1sgf s THR 27 CO 0.14 0.08 0.39 0.00 -0.54 0.00 0.00 174.62 174.68 1sgf s ALA 28 N -1.05 -0.95 -0.41 3.99 0.00 -0.46 -4.85 121.76 118.03 1sgf s ALA 28 Ca 0.11 0.34 -0.09 0.00 0.00 0.00 0.00 51.96 52.33 1sgf s ALA 28 Cb -0.10 0.24 0.07 0.00 0.00 0.00 0.00 23.12 23.34 1sgf s ALA 28 CO 0.05 -0.39 0.24 0.99 0.00 0.00 0.00 175.76 176.65 1sgf s THR 29 N -2.09 4.16 1.27 0.00 2.01 -1.26 -0.14 115.64 119.58 1sgf s THR 29 Ca -0.08 -1.37 -0.21 0.00 0.31 0.00 0.00 61.69 60.34 1sgf s THR 29 Cb -0.02 -3.53 0.32 0.00 0.01 0.00 0.00 72.50 69.28 1sgf s THR 29 CO 0.00 -0.47 1.04 -0.90 -0.69 0.00 0.00 174.62 173.61 1sgf n ASP 30 N 4.90 -2.49 0.28 3.53 5.75 -0.61 -2.49 116.55 125.41 1sgf n ASP 30 Ca -0.10 -1.11 0.13 0.00 -0.01 0.00 0.00 54.79 53.70 1sgf n ASP 30 Cb 0.43 -0.99 0.80 0.00 -1.03 0.00 0.00 41.12 40.33 1sgf n ASP 30 CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 1sgf h ILE 31 N -2.90 0.66 -0.04 2.12 2.10 -1.40 -1.40 117.51 116.65 1sgf h ILE 31 Ca -0.40 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 65.36 1sgf h ILE 31 Cb 1.26 1.10 0.00 0.00 -1.09 0.00 0.00 36.82 38.09 1sgf h ILE 31 CO 0.26 0.04 0.00 0.29 -1.08 0.00 0.00 178.15 177.66 1sgf n LYS 32 N -3.95 1.31 -0.74 2.19 5.02 -1.26 -4.89 118.16 115.85 1sgf n LYS 32 Ca -0.03 -0.46 0.00 0.00 -2.02 0.00 0.00 58.31 55.80 1sgf n LYS 32 Cb 0.13 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 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 1.01 0.70 3.85 0.72 0.00 -0.53 -5.04 105.19 105.90 1sgf n GLY 33 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 1sgf n GLY 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sgf s LYS 34 N -0.26 3.73 0.19 1.61 2.20 -1.26 -4.84 119.74 121.11 1sgf s LYS 34 Ca 0.00 0.16 -0.30 0.00 -0.36 0.00 0.00 55.97 55.47 1sgf s LYS 34 Cb 0.00 -3.22 -0.08 0.00 -1.51 0.00 0.00 37.83 33.02 1sgf s LYS 34 CO 0.00 0.70 1.27 -2.00 -0.36 0.00 0.00 175.35 174.96 1sgf s GLU 35 N -0.97 4.43 0.04 4.03 2.56 -1.26 -1.58 118.70 125.95 1sgf s GLU 35 Ca 0.19 1.98 -0.04 0.00 0.00 0.00 0.00 54.97 57.11 1sgf s GLU 35 Cb -0.14 -3.21 -0.02 0.00 2.00 0.00 0.00 34.13 32.76 1sgf s GLU 35 CO 0.09 -0.19 0.05 0.54 -0.56 0.00 0.00 175.26 175.19 1sgf s VAL 36 N 0.04 0.15 -0.21 3.70 0.11 0.80 -4.94 120.40 120.05 1sgf s VAL 36 Ca 0.55 -1.24 -0.11 0.00 -2.93 0.00 0.00 61.98 58.24 1sgf s VAL 36 Cb -0.35 -0.97 -0.05 0.00 -1.53 0.00 0.00 36.38 33.48 1sgf s VAL 36 CO 0.38 -0.69 0.20 -0.89 -3.33 0.00 0.00 175.10 170.77 1sgf s THR 37 N -2.82 5.35 -0.23 5.04 2.01 -0.19 -1.35 115.64 123.44 1sgf s THR 37 Ca -0.03 0.29 -0.14 0.00 0.31 0.00 0.00 61.69 62.12 1sgf s THR 37 Cb 0.00 -3.53 -0.04 0.00 0.01 0.00 0.00 72.50 68.93 1sgf s THR 37 CO -0.06 0.37 0.31 -0.69 -0.69 0.00 0.00 174.62 173.86 1sgf s VAL 38 N 0.82 5.25 0.44 3.82 1.01 0.20 -0.24 120.40 131.69 1sgf s VAL 38 Ca 0.10 0.49 -0.13 0.00 0.00 0.00 0.00 61.98 62.43 1sgf s VAL 38 Cb -0.13 -3.64 -0.07 0.00 0.00 0.00 0.00 36.38 32.54 1sgf s VAL 38 CO 0.03 0.26 0.85 -0.76 0.00 0.00 0.00 175.10 175.47 1sgf s LEU 39 N 1.45 3.78 0.24 3.92 1.43 -1.13 -4.41 118.68 123.97 1sgf s LEU 39 Ca 0.14 1.32 0.22 0.00 -1.03 0.00 0.00 54.13 54.78 1sgf s LEU 39 Cb -0.15 -4.21 0.06 0.00 0.03 0.00 0.00 46.19 41.92 1sgf s LEU 39 CO 0.08 -0.44 1.14 0.00 0.23 0.00 0.00 176.35 177.36 1sgf h ALA 40 N 1.26 0.60 -4.37 4.21 0.00 -1.91 -3.43 119.26 115.62 1sgf h ALA 40 Ca -0.47 -0.04 -0.60 0.00 0.00 0.00 0.00 54.91 53.80 1sgf h ALA 40 Cb 1.18 0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.69 1sgf h ALA 40 CO 0.63 0.04 -0.85 -1.21 0.00 0.00 0.00 179.25 177.86 1sgf s GLU 41 N -3.32 1.71 0.37 0.00 0.41 -1.26 0.15 118.70 116.77 1sgf s GLU 41 Ca 0.01 -0.73 0.05 0.00 -0.41 0.00 0.00 54.97 53.89 1sgf s GLU 41 Cb 0.09 -1.63 -0.01 0.00 -1.78 0.00 0.00 34.13 30.80 1sgf s GLU 41 CO 0.77 0.42 0.53 0.54 -0.49 0.00 0.00 175.26 177.03 1sgf s VAL 42 N -0.43 3.97 -0.31 2.63 0.11 -0.64 -4.93 120.40 120.80 1sgf s VAL 42 Ca 0.07 -0.87 -0.02 0.00 -2.93 0.00 0.00 61.98 58.23 1sgf s VAL 42 Cb -0.08 -3.39 0.12 0.00 -1.53 0.00 0.00 36.38 31.49 1sgf s VAL 42 CO -0.00 -0.18 0.20 0.20 -3.33 0.00 0.00 175.10 171.98 1sgf s ASN 43 N -4.20 2.89 -0.09 3.54 0.01 -1.26 -4.16 114.94 111.67 1sgf s ASN 43 Ca 0.47 -1.50 -0.04 0.00 -0.71 0.00 0.00 52.86 51.08 1sgf s ASN 43 Cb -0.10 -0.16 0.04 0.00 0.41 0.00 0.00 41.25 41.45 1sgf s ASN 43 CO 0.33 -0.38 0.19 -0.51 -1.51 0.00 0.00 177.10 175.22 1sgf s ILE 44 N 1.78 -0.11 -1.19 0.60 2.07 -1.21 -4.96 121.20 118.19 1sgf s ILE 44 Ca 0.12 0.20 -0.13 0.00 -1.41 0.00 0.00 60.65 59.44 1sgf s ILE 44 Cb -0.18 -0.31 -0.01 0.00 0.13 0.00 0.00 42.46 42.09 1sgf s ILE 44 CO -0.22 0.08 0.75 0.59 -1.91 0.00 0.00 174.94 174.23 1sgf n ASN 45 N 4.47 -4.16 -1.35 4.50 3.02 -1.26 -2.57 115.26 117.91 1sgf n ASN 45 Ca -0.21 -0.94 -0.18 0.00 -0.03 0.00 0.00 54.58 53.22 1sgf n ASN 45 Cb 0.52 -3.72 -0.08 0.00 -0.61 0.00 0.00 39.78 35.89 1sgf n ASN 45 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1sgf n ASN 46 N -2.85 -5.24 -4.06 6.41 5.15 -1.26 -5.01 115.26 108.40 1sgf n ASN 46 Ca -0.15 0.44 -0.08 0.00 -0.60 0.00 0.00 54.58 54.18 1sgf n ASN 46 Cb 0.62 -4.29 -0.10 0.00 -0.53 0.00 0.00 39.78 35.48 1sgf n ASN 46 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 1sgf s SER 47 N -2.77 0.48 -0.30 1.20 1.04 -1.06 -5.13 113.70 107.16 1sgf s SER 47 Ca 0.00 -0.82 -0.07 0.00 0.48 0.00 0.00 55.95 55.54 1sgf s SER 47 Cb 0.00 0.15 0.01 0.00 0.10 0.00 0.00 66.02 66.28 1sgf s SER 47 CO 0.00 -0.48 0.09 -0.69 0.98 0.00 0.00 173.24 173.15 1sgf s VAL 48 N -3.00 4.06 -0.03 5.02 1.01 -1.26 -3.36 120.40 122.83 1sgf s VAL 48 Ca -0.01 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1sgf s VAL 48 Cb 0.01 -3.09 0.01 0.00 0.00 0.00 0.00 36.38 33.30 1sgf s VAL 48 CO -0.06 0.07 -0.09 0.72 0.00 0.00 0.00 175.10 175.74 1sgf s PHE 49 N 1.51 0.96 0.24 5.22 -0.12 -1.26 -5.01 117.98 119.53 1sgf s PHE 49 Ca 0.03 -0.26 -0.22 0.00 -0.05 0.00 0.00 56.93 56.43 1sgf s PHE 49 Cb -0.17 -0.71 -0.09 0.00 -0.63 0.00 0.00 43.02 41.42 1sgf s PHE 49 CO 0.03 -0.13 0.79 0.50 -0.05 0.00 0.00 175.22 176.36 1sgf s ARG 50 N 0.34 4.39 -0.47 1.99 3.52 -1.26 -1.62 118.95 125.84 1sgf s ARG 50 Ca -0.05 1.03 -0.29 0.00 -0.13 0.00 0.00 55.73 56.29 1sgf s ARG 50 Cb -0.10 -2.91 0.02 0.00 -1.56 0.00 0.00 34.95 30.41 1sgf s ARG 50 CO 0.01 0.39 1.23 -0.65 -0.81 0.00 0.00 175.30 175.46 1sgf s GLN 51 N -1.89 3.66 -0.05 5.12 -0.21 0.12 -4.94 119.66 121.47 1sgf s GLN 51 Ca 0.44 0.66 0.05 0.00 0.02 0.00 0.00 55.36 56.53 1sgf s GLN 51 Cb -0.18 -3.95 -0.02 0.00 1.00 0.00 0.00 33.01 29.86 1sgf s GLN 51 CO 0.22 -1.47 -0.20 0.71 -2.12 0.00 0.00 175.29 172.44 1sgf s TYR 52 N 4.81 2.55 -0.06 0.91 2.02 -1.26 -4.60 117.35 121.73 1sgf s TYR 52 Ca 0.52 -0.37 0.05 0.00 -0.37 0.00 0.00 57.07 56.90 1sgf s TYR 52 Cb -0.09 -1.60 -0.00 0.00 -0.40 0.00 0.00 41.96 39.87 1sgf s TYR 52 CO 0.32 0.03 -0.20 -0.06 -1.57 0.00 0.00 175.55 174.06 1sgf s PHE 53 N -0.53 2.03 -0.40 2.71 0.08 -0.79 -4.93 117.98 116.15 1sgf s PHE 53 Ca 0.07 -0.65 -0.23 0.00 0.12 0.00 0.00 56.93 56.25 1sgf s PHE 53 Cb -0.11 -1.36 0.02 0.00 -0.57 0.00 0.00 43.02 40.99 1sgf s PHE 53 CO 0.01 -0.23 0.77 0.12 -0.10 0.00 0.00 175.22 175.79 1sgf s PHE 54 N 0.08 3.06 0.05 0.36 5.36 -1.26 -0.96 117.98 124.67 1sgf s PHE 54 Ca -0.07 0.36 0.07 0.00 -0.96 0.00 0.00 56.93 56.33 1sgf s PHE 54 Cb -0.14 -3.49 -0.03 0.00 -0.34 0.00 0.00 43.02 39.02 1sgf s PHE 54 CO 0.04 -0.83 -0.17 -1.21 -1.46 0.00 0.00 175.22 171.59 1sgf s GLU 55 N 3.14 2.07 -0.07 10.12 2.02 -0.35 -4.87 118.70 130.77 1sgf s GLU 55 Ca 0.30 -0.99 -0.01 0.00 0.02 0.00 0.00 54.97 54.29 1sgf s GLU 55 Cb -0.13 -2.21 0.03 0.00 0.10 0.00 0.00 34.13 31.92 1sgf s GLU 55 CO 0.19 0.53 0.01 0.99 0.02 0.00 0.00 175.26 177.01 1sgf s THR 56 N -0.98 0.29 0.46 3.63 2.01 -0.57 -1.24 115.64 119.23 1sgf s THR 56 Ca 0.16 0.17 0.04 0.00 0.31 0.00 0.00 61.69 62.38 1sgf s THR 56 Cb -0.11 -0.46 -0.05 0.00 0.01 0.00 0.00 72.50 71.89 1sgf s THR 56 CO 0.07 0.24 0.02 -0.54 -0.69 0.00 0.00 174.62 173.73 1sgf s LYS 57 N 1.99 2.08 0.39 4.92 1.02 -1.00 -2.78 119.74 126.35 1sgf s LYS 57 Ca 0.05 -2.22 -0.17 0.00 0.02 0.00 0.00 55.97 53.64 1sgf s LYS 57 Cb -0.12 -1.62 -0.10 0.00 -0.52 0.00 0.00 37.83 35.47 1sgf s LYS 57 CO -0.05 -0.20 0.85 0.00 -0.92 0.00 0.00 175.35 175.04 1sgf h ARG 59 N 1.94 0.03 -2.82 0.00 2.43 -1.66 -3.46 114.38 110.85 1sgf h ARG 59 Ca -0.48 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.63 1sgf h ARG 59 Cb 1.18 0.02 -0.13 0.00 -0.42 0.00 0.00 29.97 30.62 1sgf h ARG 59 CO 0.63 0.67 0.25 0.00 -1.51 0.00 0.00 179.97 180.01 1sgf s ALA 60 N -2.62 -1.64 -0.06 2.80 0.00 -1.26 -5.03 121.76 113.95 1sgf s ALA 60 Ca -0.05 0.63 0.13 0.00 0.00 0.00 0.00 51.96 52.67 1sgf s ALA 60 Cb 0.08 0.75 -0.10 0.00 0.00 0.00 0.00 23.12 23.85 1sgf s ALA 60 CO 0.82 -0.73 1.16 0.66 0.00 0.00 0.00 175.76 177.67 1sgf h SER 61 N 2.08 0.00 -3.67 0.00 4.64 -1.94 -3.41 113.55 111.26 1sgf h SER 61 Ca -0.32 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.39 1sgf h SER 61 Cb 1.29 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.98 1sgf h SER 61 CO 0.37 0.72 -0.72 0.20 -0.87 0.00 0.00 176.83 176.54 1sgf s ASN 62 N -6.33 3.81 0.51 4.97 -0.87 -1.26 -2.19 114.94 113.58 1sgf s ASN 62 Ca 0.00 -2.66 0.34 0.00 -1.57 0.00 0.00 52.86 48.98 1sgf s ASN 62 Cb 0.09 -1.15 1.63 0.00 -0.02 0.00 0.00 41.25 41.79 1sgf s ASN 62 CO 0.79 -0.27 2.03 -0.65 -2.57 0.00 0.00 177.10 176.43 1sgf h PRO 63 N 6.74 0.00 -3.22 -0.60 0.11 -1.77 -3.41 132.00 129.86 1sgf h PRO 63 Ca -0.03 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.94 1sgf h PRO 63 Cb 0.92 0.00 -0.22 0.00 0.11 0.00 0.00 31.00 31.81 1sgf h PRO 63 CO 0.52 0.00 -0.39 0.08 -0.21 0.00 0.00 178.00 178.00 1sgf s VAL 64 N -3.75 0.05 0.28 3.15 1.01 -1.19 -5.04 120.40 114.91 1sgf s VAL 64 Ca -0.01 -0.38 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1sgf s VAL 64 Cb 0.10 -0.47 0.28 0.00 0.00 0.00 0.00 36.38 36.29 1sgf s VAL 64 CO 0.43 -0.21 1.68 -0.33 0.00 0.00 0.00 175.10 176.68 1sgf h GLU 65 N 4.66 0.33 0.00 2.72 3.07 -1.98 -0.89 114.58 122.50 1sgf h GLU 65 Ca -0.29 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 1sgf h GLU 65 Cb 1.19 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.02 1sgf h GLU 65 CO 0.38 0.22 0.00 -1.13 -1.40 0.00 0.00 179.01 177.08 1sgf n SER 66 N -5.10 0.00 0.00 1.42 3.41 -1.26 -4.97 113.62 107.12 1sgf n SER 66 Ca 0.20 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 58.26 1sgf n SER 66 Cb 0.62 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.57 1sgf n SER 66 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1sgf n GLY 67 N -0.14 0.38 3.85 5.00 0.00 -0.34 -4.29 105.19 109.64 1sgf n GLY 67 Ca 0.07 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 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 -5.22 4.50 -0.07 0.00 0.52 -0.22 -3.79 118.95 114.67 1sgf s ARG 69 Ca 0.58 1.49 0.00 0.00 -0.52 0.00 0.00 55.73 57.28 1sgf s ARG 69 Cb -0.13 -2.85 0.00 0.00 0.52 0.00 0.00 34.95 32.50 1sgf s ARG 69 CO 0.53 0.17 0.00 0.41 0.02 0.00 0.00 175.30 176.43 1sgf n GLY 70 N 0.71 0.46 3.89 -3.53 0.00 -1.26 -4.81 105.19 100.64 1sgf n GLY 70 Ca 0.02 -0.16 -0.32 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.87 5.06 -1.18 -0.61 -1.09 -1.25 -4.99 121.20 115.27 1sgf s ILE 71 Ca 0.00 0.24 -0.20 0.00 -2.23 0.00 0.00 60.65 58.46 1sgf s ILE 71 Cb 0.00 -3.62 0.04 0.00 -1.58 0.00 0.00 42.46 37.30 1sgf s ILE 71 CO 0.00 -0.00 1.69 -0.62 -1.23 0.00 0.00 174.94 174.77 1sgf s ASP 72 N -2.38 6.45 0.00 3.58 2.15 -1.26 -4.81 116.67 120.40 1sgf s ASP 72 Ca 0.44 -1.97 0.00 0.00 0.43 0.00 0.00 52.55 51.44 1sgf s ASP 72 Cb -0.12 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 39.93 1sgf s ASP 72 CO 0.23 -1.56 0.88 -1.54 -0.17 0.00 0.00 175.17 173.01 1sgf n SER 73 N 9.50 0.00 -1.26 -0.34 3.41 -1.26 0.07 113.62 123.74 1sgf n SER 73 Ca 0.43 0.39 0.12 0.00 -0.26 0.00 0.00 58.87 59.55 1sgf n SER 73 Cb 0.48 -0.39 0.27 0.00 -0.26 0.00 0.00 64.21 64.31 1sgf n SER 73 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1sgf n LYS 74 N -1.38 2.63 0.00 4.33 5.02 -1.26 -4.41 118.16 123.08 1sgf n LYS 74 Ca 0.00 -2.50 0.00 0.00 -2.02 0.00 0.00 58.31 53.79 1sgf n LYS 74 Cb 0.06 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 33.53 1sgf n LYS 74 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1sgf n HIS 75 N 1.58 0.00 -4.87 2.13 8.25 0.53 -5.01 115.22 117.83 1sgf n HIS 75 Ca 0.22 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.42 1sgf n HIS 75 Cb 0.62 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.58 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 -1.00 1.84 -0.08 4.41 0.52 0.11 -2.61 118.94 122.13 1sgf s TRP 76 Ca 0.00 -0.36 -0.13 0.00 0.02 0.00 0.00 56.10 55.63 1sgf s TRP 76 Cb 0.00 -1.15 -0.05 0.00 -1.15 0.00 0.00 33.47 31.12 1sgf s TRP 76 CO 0.00 0.02 0.32 -0.80 0.02 0.00 0.00 176.95 176.50 1sgf s ASN 77 N -0.75 6.59 0.02 2.95 0.02 -0.37 -4.28 114.94 119.11 1sgf s ASN 77 Ca 0.08 0.70 -0.04 0.00 -1.02 0.00 0.00 52.86 52.58 1sgf s ASN 77 Cb -0.08 -2.19 -0.01 0.00 0.02 0.00 0.00 41.25 38.99 1sgf s ASN 77 CO 0.00 0.25 0.06 -0.94 0.02 0.00 0.00 177.10 176.49 1sgf s SER 78 N -0.48 0.15 -0.03 -1.22 1.04 -1.26 -1.62 113.70 110.28 1sgf s SER 78 Ca 0.20 -0.40 -0.20 0.00 0.48 0.00 0.00 55.95 56.02 1sgf s SER 78 Cb -0.14 0.17 0.04 0.00 0.10 0.00 0.00 66.02 66.18 1sgf s SER 78 CO 0.08 -0.37 0.44 -0.72 0.98 0.00 0.00 173.24 173.65 1sgf s TYR 79 N -1.69 -0.35 -0.07 5.02 1.13 -0.96 -4.16 117.35 116.27 1sgf s TYR 79 Ca -0.13 0.58 -0.12 0.00 -1.41 0.00 0.00 57.07 55.99 1sgf s TYR 79 Cb -0.07 0.21 -0.05 0.00 -1.10 0.00 0.00 41.96 40.95 1sgf s TYR 79 CO -0.01 -0.46 0.31 0.00 -2.51 0.00 0.00 175.55 172.88 1sgf s THR 81 N -0.75 0.49 -0.11 0.00 -1.32 0.22 -4.63 115.64 109.54 1sgf s THR 81 Ca 0.20 -1.32 -0.23 0.00 -1.21 0.00 0.00 61.69 59.12 1sgf s THR 81 Cb -0.15 -0.89 -0.03 0.00 -1.51 0.00 0.00 72.50 69.92 1sgf s THR 81 CO 0.09 -0.57 0.70 -0.89 -2.21 0.00 0.00 174.62 171.74 1sgf s THR 82 N -2.14 5.02 0.08 5.08 2.01 -1.26 -0.98 115.64 123.44 1sgf s THR 82 Ca -0.04 1.41 -0.08 0.00 0.31 0.00 0.00 61.69 63.30 1sgf s THR 82 Cb -0.05 -4.03 -0.05 0.00 0.01 0.00 0.00 72.50 68.37 1sgf s THR 82 CO -0.02 0.19 0.36 -0.89 -0.69 0.00 0.00 174.62 173.58 1sgf s THR 83 N 1.21 5.16 0.43 -0.82 2.01 0.76 -4.95 115.64 119.44 1sgf s THR 83 Ca 0.36 0.27 0.07 0.00 0.31 0.00 0.00 61.69 62.70 1sgf s THR 83 Cb -0.17 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.67 1sgf s THR 83 CO 0.16 0.24 0.20 -1.00 -0.69 0.00 0.00 174.62 173.52 1sgf s HIS 84 N -1.45 2.52 0.24 4.92 3.76 -1.26 -0.01 115.29 124.02 1sgf s HIS 84 Ca 0.34 -0.61 -0.06 0.00 -0.15 0.00 0.00 55.06 54.57 1sgf s HIS 84 Cb -0.13 -1.96 -0.02 0.00 1.11 0.00 0.00 32.58 31.58 1sgf s HIS 84 CO 0.19 0.12 0.33 -0.08 -0.85 0.00 0.00 174.74 174.46 1sgf s THR 85 N -2.61 0.00 -0.17 1.30 -1.32 0.02 -4.76 115.64 108.10 1sgf s THR 85 Ca 0.40 -1.68 -0.01 0.00 -1.21 0.00 0.00 61.69 59.19 1sgf s THR 85 Cb 0.03 -2.38 -0.00 0.00 -1.51 0.00 0.00 72.50 68.64 1sgf s THR 85 CO 0.22 0.00 -0.13 -0.36 -2.21 0.00 0.00 174.62 172.14 1sgf s PHE 86 N -3.96 2.82 -0.03 9.09 0.08 -1.26 -1.52 117.98 123.20 1sgf s PHE 86 Ca 0.30 -1.06 0.07 0.00 0.12 0.00 0.00 56.93 56.35 1sgf s PHE 86 Cb 0.03 -1.93 -0.01 0.00 -0.57 0.00 0.00 43.02 40.53 1sgf s PHE 86 CO 0.12 -0.51 -0.23 0.08 -0.10 0.00 0.00 175.22 174.58 1sgf s VAL 87 N 0.97 1.80 -0.20 -0.44 1.01 -0.97 -4.92 120.40 117.65 1sgf s VAL 87 Ca -0.02 -0.96 -0.29 0.00 0.00 0.00 0.00 61.98 60.71 1sgf s VAL 87 Cb -0.15 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.73 1sgf s VAL 87 CO -0.02 0.51 1.11 -0.75 0.00 0.00 0.00 175.10 175.95 1sgf s LYS 88 N -0.39 4.26 0.15 2.72 2.47 -1.26 -1.04 119.74 126.64 1sgf s LYS 88 Ca 0.05 1.46 0.03 0.00 -1.56 0.00 0.00 55.97 55.95 1sgf s LYS 88 Cb -0.10 -3.67 -0.04 0.00 -1.46 0.00 0.00 37.83 32.56 1sgf s LYS 88 CO 0.00 -0.63 -0.06 0.00 0.16 0.00 0.00 175.35 174.83 1sgf s ALA 89 N 3.19 1.31 -0.06 3.13 0.00 -0.65 -4.94 121.76 123.73 1sgf s ALA 89 Ca 0.48 -1.50 -0.30 0.00 0.00 0.00 0.00 51.96 50.64 1sgf s ALA 89 Cb -0.18 0.25 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 1sgf s ALA 89 CO 0.10 -0.21 1.05 -1.17 0.00 0.00 0.00 175.76 175.53 1sgf s LEU 90 N -3.14 4.29 0.09 0.00 2.96 -1.26 -1.76 118.68 119.86 1sgf s LEU 90 Ca 0.18 1.64 -0.04 0.00 -0.22 0.00 0.00 54.13 55.70 1sgf s LEU 90 Cb 0.05 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.15 1sgf s LEU 90 CO 0.00 -0.43 0.08 0.42 -1.32 0.00 0.00 176.35 175.10 1sgf s THR 91 N 1.76 0.15 -0.07 3.68 -4.23 -0.33 -2.82 115.64 113.78 1sgf s THR 91 Ca 0.51 -1.66 0.05 0.00 -1.18 0.00 0.00 61.69 59.41 1sgf s THR 91 Cb -0.21 -1.67 -0.00 0.00 1.34 0.00 0.00 72.50 71.96 1sgf s THR 91 CO 0.22 -0.69 -0.23 -0.89 -0.54 0.00 0.00 174.62 172.48 1sgf s THR 92 N -3.95 1.91 -0.57 3.99 2.01 0.66 -0.96 115.64 118.73 1sgf s THR 92 Ca 0.13 -0.96 0.06 0.00 0.31 0.00 0.00 61.69 61.22 1sgf s THR 92 Cb 0.07 -1.64 0.22 0.00 0.01 0.00 0.00 72.50 71.16 1sgf s THR 92 CO -0.06 0.53 0.60 -0.67 -0.69 0.00 0.00 174.62 174.33 1sgf n ASP 93 N 3.24 2.31 -0.32 3.53 -0.08 -0.89 -1.02 116.55 123.32 1sgf n ASP 93 Ca -0.18 -3.10 0.00 0.00 -1.51 0.00 0.00 54.79 49.99 1sgf n ASP 93 Cb 0.52 -0.67 0.00 0.00 2.34 0.00 0.00 41.12 43.32 1sgf n ASP 93 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1sgf n GLU 94 N 1.42 0.00 0.00 -0.67 2.13 -1.26 -3.27 120.64 118.98 1sgf n GLU 94 Ca 0.26 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.08 1sgf n GLU 94 Cb 0.43 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.14 1sgf n GLU 94 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1sgf n LYS 95 N 0.12 0.00 -4.42 5.31 2.85 -1.26 -5.13 118.16 115.63 1sgf n LYS 95 Ca 0.00 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 57.03 1sgf n LYS 95 Cb 0.00 0.00 -0.10 0.00 -0.65 0.00 0.00 35.03 34.28 1sgf n LYS 95 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 1sgf s GLN 96 N 0.00 1.52 -0.26 -1.58 -0.21 -1.20 -5.12 119.66 112.81 1sgf s GLN 96 Ca 0.00 -1.66 0.03 0.00 0.02 0.00 0.00 55.36 53.75 1sgf s GLN 96 Cb 0.00 -1.55 0.06 0.00 1.00 0.00 0.00 33.01 32.52 1sgf s GLN 96 CO 0.00 0.29 -0.10 0.00 -2.12 0.00 0.00 175.29 173.36 1sgf s ALA 97 N -2.50 2.54 0.11 6.09 0.00 -1.26 -2.10 121.76 124.63 1sgf s ALA 97 Ca 0.25 -1.78 -0.06 0.00 0.00 0.00 0.00 51.96 50.38 1sgf s ALA 97 Cb -0.04 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.46 1sgf s ALA 97 CO 0.11 -1.23 0.14 0.00 0.00 0.00 0.00 175.76 174.79 1sgf s ALA 98 N 1.11 0.19 -0.69 0.00 0.00 -0.14 -4.96 121.76 117.28 1sgf s ALA 98 Ca -0.08 -0.97 -0.25 0.00 0.00 0.00 0.00 51.96 50.67 1sgf s ALA 98 Cb -0.20 0.61 0.05 0.00 0.00 0.00 0.00 23.12 23.59 1sgf s ALA 98 CO -0.05 -0.51 1.10 -1.58 0.00 0.00 0.00 175.76 174.72 1sgf s TRP 99 N -3.94 2.51 0.11 0.00 0.52 -1.26 -1.18 118.94 115.70 1sgf s TRP 99 Ca 0.12 -0.29 0.09 0.00 0.02 0.00 0.00 56.10 56.05 1sgf s TRP 99 Cb 0.06 -4.43 -0.04 0.00 -1.15 0.00 0.00 33.47 27.91 1sgf s TRP 99 CO -0.05 -1.82 -0.20 1.03 0.02 0.00 0.00 176.95 175.93 1sgf s ARG 100 N 4.79 1.73 -0.20 4.98 0.52 -0.72 -4.83 118.95 125.22 1sgf s ARG 100 Ca 0.28 -1.20 -0.29 0.00 -0.52 0.00 0.00 55.73 54.01 1sgf s ARG 100 Cb -0.13 -2.07 -0.01 0.00 0.52 0.00 0.00 34.95 33.26 1sgf s ARG 100 CO 0.13 0.48 1.32 -0.06 0.02 0.00 0.00 175.30 177.19 1sgf s PHE 101 N -1.10 2.71 0.11 -0.53 0.08 -1.26 -1.64 117.98 116.35 1sgf s PHE 101 Ca 0.17 0.90 0.05 0.00 0.12 0.00 0.00 56.93 58.17 1sgf s PHE 101 Cb -0.10 -3.67 -0.04 0.00 -0.57 0.00 0.00 43.02 38.63 1sgf s PHE 101 CO 0.09 -1.89 0.03 0.96 -0.10 0.00 0.00 175.22 174.31 1sgf s ILE 102 N 3.90 4.08 -0.29 0.64 -4.36 -0.21 -0.99 121.20 123.97 1sgf s ILE 102 Ca 0.57 -1.05 -0.29 0.00 -0.26 0.00 0.00 60.65 59.62 1sgf s ILE 102 Cb -0.21 -2.99 0.01 0.00 1.25 0.00 0.00 42.46 40.52 1sgf s ILE 102 CO 0.19 0.05 1.18 -0.60 0.24 0.00 0.00 174.94 176.00 1sgf s ARG 103 N -2.53 4.03 -0.03 0.37 3.52 -1.04 -2.30 118.95 120.97 1sgf s ARG 103 Ca 0.27 1.20 0.06 0.00 -0.13 0.00 0.00 55.73 57.14 1sgf s ARG 103 Cb -0.11 -3.79 -0.02 0.00 -1.56 0.00 0.00 34.95 29.47 1sgf s ARG 103 CO 0.19 -0.96 -0.22 0.42 -0.81 0.00 0.00 175.30 173.92 1sgf s ILE 104 N 3.90 2.35 0.06 4.11 -1.09 -0.58 -4.70 121.20 125.26 1sgf s ILE 104 Ca 0.50 -0.99 -0.31 0.00 -2.23 0.00 0.00 60.65 57.63 1sgf s ILE 104 Cb -0.15 -1.85 -0.07 0.00 -1.58 0.00 0.00 42.46 38.81 1sgf s ILE 104 CO 0.18 0.58 1.38 -1.81 -1.23 0.00 0.00 174.94 174.04 1sgf s ASP 105 N -0.58 6.86 0.00 3.58 1.01 -1.26 -0.80 116.67 125.48 1sgf s ASP 105 Ca 0.09 2.21 0.00 0.00 0.71 0.00 0.00 52.55 55.55 1sgf s ASP 105 Cb -0.11 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.25 1sgf s ASP 105 CO 0.00 -0.67 0.00 0.35 0.21 0.00 0.00 175.17 175.06 1sgf n THR 106 N 4.26 0.00 -3.97 -1.27 -2.24 0.99 -1.52 114.28 110.53 1sgf n THR 106 Ca 0.12 0.00 -0.09 0.00 -2.27 0.00 0.00 64.05 61.81 1sgf n THR 106 Cb 0.43 -0.09 -0.04 0.00 -2.10 0.00 0.00 70.33 68.54 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 -1.52 -0.35 -0.33 6.98 0.00 -0.97 -4.35 121.76 121.21 1sgf s ALA 107 Ca 0.00 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.15 1sgf s ALA 107 Cb 0.00 1.02 0.10 0.00 0.00 0.00 0.00 23.12 24.24 1sgf s ALA 107 CO 0.00 -0.89 0.08 0.00 0.00 0.00 0.00 175.76 174.95 1sgf s VAL 109 N 1.23 4.72 -0.15 0.00 -7.23 -0.16 -4.72 120.40 114.08 1sgf s VAL 109 Ca 0.11 -1.22 -0.07 0.00 -1.81 0.00 0.00 61.98 58.99 1sgf s VAL 109 Cb -0.18 -3.53 -0.04 0.00 0.56 0.00 0.00 36.38 33.19 1sgf s VAL 109 CO -0.16 -0.30 0.08 0.00 -0.31 0.00 0.00 175.10 174.40 1sgf s VAL 111 N -0.16 3.11 0.11 0.00 1.01 0.01 -4.98 120.40 119.51 1sgf s VAL 111 Ca 0.08 -1.16 0.08 0.00 0.00 0.00 0.00 61.98 60.99 1sgf s VAL 111 Cb -0.12 -2.37 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 1sgf s VAL 111 CO 0.01 0.27 -0.21 -0.76 0.00 0.00 0.00 175.10 174.41 1sgf s LEU 112 N -1.70 2.31 0.18 3.92 1.02 -1.26 -2.26 118.68 120.90 1sgf s LEU 112 Ca 0.17 -0.71 -0.05 0.00 0.02 0.00 0.00 54.13 53.57 1sgf s LEU 112 Cb -0.11 -0.89 -0.03 0.00 0.02 0.00 0.00 46.19 45.19 1sgf s LEU 112 CO 0.08 0.05 0.21 -0.94 0.02 0.00 0.00 176.35 175.77 1sgf s SER 113 N -1.99 0.12 -0.18 2.29 1.04 -0.64 -4.98 113.70 109.36 1sgf s SER 113 Ca 0.08 -1.15 -0.10 0.00 0.48 0.00 0.00 55.95 55.26 1sgf s SER 113 Cb -0.10 0.41 -0.05 0.00 0.10 0.00 0.00 66.02 66.38 1sgf s SER 113 CO 0.05 -0.88 0.15 -0.60 0.98 0.00 0.00 173.24 172.94 1sgf s ARG 114 N -4.06 4.05 0.13 4.02 3.52 -1.26 -1.24 118.95 124.10 1sgf s ARG 114 Ca 0.28 -0.16 -0.30 0.00 -0.13 0.00 0.00 55.73 55.41 1sgf s ARG 114 Cb 0.05 -3.37 -0.07 0.00 -1.56 0.00 0.00 34.95 29.99 1sgf s ARG 114 CO 0.06 0.39 1.22 0.15 -0.81 0.00 0.00 175.30 176.31 1sgf s LYS 115 N 0.09 4.45 0.00 5.12 1.02 -1.07 -4.82 119.74 124.53 1sgf s LYS 115 Ca 0.11 1.85 0.28 0.00 0.02 0.00 0.00 55.97 58.23 1sgf s LYS 115 Cb -0.11 -3.28 1.17 0.00 -0.52 0.00 0.00 37.83 35.08 1sgf s LYS 115 CO 0.00 -0.19 1.81 0.00 -0.92 0.00 0.00 175.35 176.05 1sgf n ALA 116 N 3.24 2.78 -2.56 5.17 0.00 -1.26 -4.86 120.51 123.01 1sgf n ALA 116 Ca 0.07 -0.33 -0.42 0.00 0.00 0.00 0.00 53.44 52.76 1sgf n ALA 116 Cb 0.45 -1.28 -0.03 0.00 0.00 0.00 0.00 19.45 18.60 1sgf n ALA 116 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1sgf s THR 117 N -2.32 4.46 -2.61 0.00 -4.23 -1.26 -5.25 115.64 104.41 1sgf s THR 117 Ca 0.32 1.76 0.27 0.00 -1.18 0.00 0.00 61.69 62.86 1sgf s THR 117 Cb 0.20 -4.13 0.47 0.00 1.34 0.00 0.00 72.50 70.38 1sgf s THR 117 CO 0.44 0.10 1.63 0.54 -0.54 0.00 0.00 174.62 176.79