#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gkh s ILE 2 N 0.00 4.80 -0.29 2.02 1.01 -1.26 -5.01 121.20 122.47 1gkh s ILE 2 Ca 0.00 1.09 -0.21 0.00 0.00 0.00 0.00 60.65 61.53 1gkh s ILE 2 Cb 0.00 -4.14 -0.01 0.00 0.01 0.00 0.00 42.46 38.32 1gkh s ILE 2 CO 0.00 -0.27 0.64 -0.75 0.00 0.00 0.00 174.94 174.57 1gkh s LYS 3 N 2.93 3.97 -0.12 2.79 2.20 -1.26 -3.57 119.74 126.68 1gkh s LYS 3 Ca 0.31 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 56.32 1gkh s LYS 3 Cb -0.14 -3.70 -0.02 0.00 -1.51 0.00 0.00 37.83 32.46 1gkh s LYS 3 CO 0.13 -0.53 -0.13 0.08 -0.36 0.00 0.00 175.35 174.54 1gkh s VAL 4 N 2.61 3.09 -0.18 4.02 1.01 -0.61 -1.16 120.40 129.19 1gkh s VAL 4 Ca 0.26 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 1gkh s VAL 4 Cb -0.15 -2.29 0.01 0.00 0.00 0.00 0.00 36.38 33.95 1gkh s VAL 4 CO 0.11 0.53 -0.15 -0.70 0.00 0.00 0.00 175.10 174.89 1gkh s GLU 5 N 0.23 3.14 -0.49 2.72 2.12 0.16 -0.09 118.70 126.48 1gkh s GLU 5 Ca -0.08 -0.76 -0.15 0.00 0.36 0.00 0.00 54.97 54.34 1gkh s GLU 5 Cb -0.15 -2.68 0.10 0.00 0.26 0.00 0.00 34.13 31.66 1gkh s GLU 5 CO 0.05 -0.14 0.42 0.42 -0.54 0.00 0.00 175.26 175.47 1gkh s ILE 6 N 1.18 5.05 0.79 -3.70 1.01 -0.21 -1.45 121.20 123.88 1gkh s ILE 6 Ca 0.02 -1.32 -0.12 0.00 0.00 0.00 0.00 60.65 59.22 1gkh s ILE 6 Cb -0.14 -4.13 0.07 0.00 0.01 0.00 0.00 42.46 38.27 1gkh s ILE 6 CO -0.07 -0.70 1.15 -0.54 0.00 0.00 0.00 174.94 174.78 1gkh s LYS 7 N 1.58 1.89 0.28 2.79 1.02 -1.26 -1.80 119.74 124.25 1gkh s LYS 7 Ca 0.04 1.50 0.02 0.00 0.02 0.00 0.00 55.97 57.55 1gkh s LYS 7 Cb -0.27 -1.83 0.63 0.00 -0.52 0.00 0.00 37.83 35.85 1gkh s LYS 7 CO 0.04 -1.97 1.77 -1.35 -0.92 0.00 0.00 175.35 172.92 1gkh h PRO 8 N -0.96 0.66 0.00 -1.68 0.11 -1.98 0.81 132.00 128.95 1gkh h PRO 8 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1gkh h PRO 8 Cb 1.26 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1gkh h PRO 8 CO 0.48 0.44 0.00 0.66 -0.21 0.00 0.00 178.00 179.37 1gkh h SER 9 N 0.68 0.00 -0.45 -2.05 4.64 -2.00 -2.65 113.55 111.71 1gkh h SER 9 Ca 0.52 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1gkh h SER 9 Cb 0.78 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 1gkh h SER 9 CO -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.58 1gkh n GLN 10 N -2.42 2.49 0.06 4.77 6.02 0.27 -3.84 117.38 124.73 1gkh n GLN 10 Ca -0.01 -2.28 0.02 0.00 -0.01 0.00 0.00 57.00 54.72 1gkh n GLN 10 Cb 0.07 -1.46 0.37 0.00 1.02 0.00 0.00 30.24 30.23 1gkh n GLN 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gkh h ALA 11 N 3.82 1.50 -0.15 -1.58 0.00 -1.42 -3.41 119.26 118.02 1gkh h ALA 11 Ca 0.00 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1gkh h ALA 11 Cb 0.91 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1gkh h ALA 11 CO 0.00 0.36 0.73 0.94 0.00 0.00 0.00 179.25 181.28 1gkh n GLN 12 N -4.32 0.24 -2.97 0.00 -0.06 -1.25 -4.92 117.38 104.10 1gkh n GLN 12 Ca 0.01 -0.65 -0.19 0.00 -2.00 0.00 0.00 57.00 54.17 1gkh n GLN 12 Cb 0.22 -2.60 0.04 0.00 -4.06 0.00 0.00 30.24 23.84 1gkh n GLN 12 CO 0.00 0.00 0.00 -0.59 -0.20 0.00 0.00 177.06 176.27 1gkh s PHE 13 N 9.07 2.04 0.21 3.69 -0.71 -1.26 -4.81 117.98 126.21 1gkh s PHE 13 Ca 0.90 -0.52 0.03 0.00 -1.04 0.00 0.00 56.93 56.30 1gkh s PHE 13 Cb -0.31 -2.37 -0.05 0.00 -1.21 0.00 0.00 43.02 39.08 1gkh s PHE 13 CO 0.23 -0.90 0.01 0.95 -1.34 0.00 0.00 175.22 174.17 1gkh s THR 14 N -2.59 0.86 -0.06 -4.49 -4.23 -0.79 -5.00 115.64 99.33 1gkh s THR 14 Ca 0.59 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 1gkh s THR 14 Cb -0.08 -2.28 0.02 0.00 1.34 0.00 0.00 72.50 71.50 1gkh s THR 14 CO 0.37 -0.35 -0.04 -0.89 -0.54 0.00 0.00 174.62 173.17 1gkh s THR 15 N -3.54 0.61 -0.08 3.99 2.01 -1.26 -1.38 115.64 115.99 1gkh s THR 15 Ca 0.28 -0.10 -0.04 0.00 0.31 0.00 0.00 61.69 62.14 1gkh s THR 15 Cb 0.06 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 1gkh s THR 15 CO 0.07 0.27 0.07 0.00 -0.69 0.00 0.00 174.62 174.34 1gkh s ARG 16 N 1.33 3.18 0.12 4.92 1.70 -0.06 -4.91 118.95 125.22 1gkh s ARG 16 Ca -0.04 -0.31 0.03 0.00 -0.47 0.00 0.00 55.73 54.94 1gkh s ARG 16 Cb -0.14 -2.96 -0.04 0.00 -0.57 0.00 0.00 34.95 31.24 1gkh s ARG 16 CO -0.02 0.72 -0.09 -1.12 -1.08 0.00 0.00 175.30 173.71 1gkh s SER 17 N -1.11 1.52 0.00 -2.89 0.01 -1.26 -0.04 113.70 109.93 1gkh s SER 17 Ca 0.16 -0.98 0.00 0.00 1.31 0.00 0.00 55.95 56.44 1gkh s SER 17 Cb -0.12 0.03 0.00 0.00 0.21 0.00 0.00 66.02 66.14 1gkh s SER 17 CO 0.05 -0.37 0.00 0.61 0.41 0.00 0.00 173.24 173.95 1gkh n GLY 18 N -0.03 -1.31 3.31 3.44 0.00 -0.80 -4.98 105.19 104.82 1gkh n GLY 18 Ca -0.12 -0.95 -0.27 0.00 0.00 0.00 0.00 46.02 44.69 1gkh n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gkh s VAL 19 N -2.61 1.91 0.57 1.61 1.01 -1.26 0.37 120.40 122.01 1gkh s VAL 19 Ca 0.00 -1.43 -0.09 0.00 0.00 0.00 0.00 61.98 60.46 1gkh s VAL 19 Cb 0.00 -1.68 -0.03 0.00 0.00 0.00 0.00 36.38 34.67 1gkh s VAL 19 CO 0.00 0.17 0.94 -0.94 0.00 0.00 0.00 175.10 175.26 1gkh s SER 20 N -1.53 6.19 0.21 3.32 1.04 0.41 -4.87 113.70 118.47 1gkh s SER 20 Ca 0.10 1.20 -0.20 0.00 0.48 0.00 0.00 55.95 57.52 1gkh s SER 20 Cb -0.10 -2.34 0.16 0.00 0.10 0.00 0.00 66.02 63.85 1gkh s SER 20 CO 0.03 -0.79 1.56 -0.09 0.98 0.00 0.00 173.24 174.94 1gkh h ARG 21 N -0.12 -0.07 -2.10 4.02 2.43 -2.01 -1.61 114.38 114.92 1gkh h ARG 21 Ca -0.45 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 58.70 1gkh h ARG 21 Cb 1.20 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.76 1gkh h ARG 21 CO 0.62 -0.05 0.01 1.04 -1.51 0.00 0.00 179.97 180.08 1gkh n GLN 22 N -5.44 0.61 -0.98 0.20 6.02 -1.26 -4.77 117.38 111.76 1gkh n GLN 22 Ca 0.07 -0.10 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1gkh n GLN 22 Cb 0.37 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.28 1gkh n GLN 22 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1gkh n GLY 23 N 1.94 0.01 3.12 1.08 0.00 -0.61 -4.99 105.19 105.75 1gkh n GLY 23 Ca 0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1gkh n GLY 23 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gkh s LYS 24 N -1.91 2.94 1.00 1.61 0.00 -1.22 -4.79 119.74 117.36 1gkh s LYS 24 Ca 0.00 -0.81 -0.12 0.00 0.00 0.00 0.00 55.97 55.04 1gkh s LYS 24 Cb 0.00 -2.50 0.19 0.00 0.00 0.00 0.00 37.83 35.52 1gkh s LYS 24 CO 0.00 -0.16 1.08 -2.14 0.00 0.00 0.00 175.35 174.13 1gkh s PRO 25 N 1.19 0.42 0.11 1.78 0.02 -1.26 -0.44 135.00 136.82 1gkh s PRO 25 Ca 0.02 0.91 -0.10 0.00 0.02 0.00 0.00 61.00 61.85 1gkh s PRO 25 Cb -0.14 -1.70 0.00 0.00 0.02 0.00 0.00 34.50 32.68 1gkh s PRO 25 CO -0.10 -2.84 0.25 1.52 -0.33 0.00 0.00 177.00 175.50 1gkh s TYR 26 N -2.74 0.14 -0.10 6.54 -0.85 0.16 -4.75 117.35 115.74 1gkh s TYR 26 Ca 0.66 -0.54 -0.05 0.00 -0.52 0.00 0.00 57.07 56.63 1gkh s TYR 26 Cb -0.21 0.00 0.05 0.00 0.38 0.00 0.00 41.96 42.18 1gkh s TYR 26 CO 0.60 -0.62 0.23 -1.12 -1.52 0.00 0.00 175.55 173.12 1gkh s SER 27 N -2.87 0.05 -0.10 -0.18 0.01 -1.25 -1.91 113.70 107.44 1gkh s SER 27 Ca 0.07 0.49 0.04 0.00 1.31 0.00 0.00 55.95 57.86 1gkh s SER 27 Cb 0.04 0.44 -0.00 0.00 0.21 0.00 0.00 66.02 66.71 1gkh s SER 27 CO -0.09 -0.19 -0.24 -0.76 0.41 0.00 0.00 173.24 172.37 1gkh s LEU 28 N 1.69 2.11 0.27 2.44 2.01 0.95 -4.85 118.68 123.30 1gkh s LEU 28 Ca -0.05 -0.55 -0.28 0.00 0.01 0.00 0.00 54.13 53.26 1gkh s LEU 28 Cb -0.11 -1.41 -0.09 0.00 0.01 0.00 0.00 46.19 44.58 1gkh s LEU 28 CO -0.08 0.17 0.94 0.20 1.01 0.00 0.00 176.35 178.58 1gkh s ASN 29 N 0.31 7.51 -0.02 2.29 0.01 -1.26 -0.88 114.94 122.89 1gkh s ASN 29 Ca -0.18 1.89 0.03 0.00 -0.71 0.00 0.00 52.86 53.90 1gkh s ASN 29 Cb -0.18 -2.59 -0.00 0.00 0.41 0.00 0.00 41.25 38.89 1gkh s ASN 29 CO 0.09 0.06 -0.11 -1.61 -1.51 0.00 0.00 177.10 174.02 1gkh s GLU 30 N -1.55 1.09 0.02 -0.60 2.02 -0.48 -1.07 118.70 118.12 1gkh s GLU 30 Ca 0.45 -0.39 -0.02 0.00 0.02 0.00 0.00 54.97 55.03 1gkh s GLU 30 Cb -0.23 -1.01 -0.01 0.00 0.10 0.00 0.00 34.13 32.98 1gkh s GLU 30 CO 0.28 0.18 0.01 -1.14 0.02 0.00 0.00 175.26 174.62 1gkh s GLN 31 N 0.01 0.36 0.35 1.61 0.74 -0.33 -1.89 119.66 120.51 1gkh s GLN 31 Ca -0.01 -0.57 0.01 0.00 0.05 0.00 0.00 55.36 54.85 1gkh s GLN 31 Cb -0.08 0.14 -0.03 0.00 1.10 0.00 0.00 33.01 34.14 1gkh s GLN 31 CO 0.00 -0.07 0.54 -0.51 -0.55 0.00 0.00 175.29 174.70 1gkh s LEU 32 N -1.47 4.00 0.24 3.68 1.43 -1.26 -0.17 118.68 125.12 1gkh s LEU 32 Ca -0.15 0.34 -0.22 0.00 -1.03 0.00 0.00 54.13 53.07 1gkh s LEU 32 Cb -0.09 -3.20 0.04 0.00 0.03 0.00 0.00 46.19 42.97 1gkh s LEU 32 CO -0.01 -0.33 0.83 0.00 0.23 0.00 0.00 176.35 177.07 1gkh s TYR 34 N -3.46 2.82 -0.13 0.00 2.02 -0.53 -0.82 117.35 117.25 1gkh s TYR 34 Ca 0.12 -0.78 0.01 0.00 -0.37 0.00 0.00 57.07 56.05 1gkh s TYR 34 Cb -0.04 -1.88 -0.01 0.00 -0.40 0.00 0.00 41.96 39.63 1gkh s TYR 34 CO 0.06 -0.32 -0.16 0.08 -1.57 0.00 0.00 175.55 173.63 1gkh s VAL 35 N 0.59 2.70 -0.34 0.71 1.01 -0.13 -0.66 120.40 124.27 1gkh s VAL 35 Ca -0.08 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 60.92 1gkh s VAL 35 Cb -0.16 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 1gkh s VAL 35 CO 0.03 0.53 0.62 -0.62 0.00 0.00 0.00 175.10 175.66 1gkh s ASP 36 N 0.46 6.43 -0.28 3.32 2.15 -0.30 -0.38 116.67 128.06 1gkh s ASP 36 Ca -0.12 0.19 0.10 0.00 0.43 0.00 0.00 52.55 53.15 1gkh s ASP 36 Cb -0.16 -2.32 0.53 0.00 -0.30 0.00 0.00 42.92 40.66 1gkh s ASP 36 CO 0.05 -0.55 1.50 0.18 -0.17 0.00 0.00 175.17 176.17 1gkh n LEU 37 N 5.97 4.30 0.00 -1.34 4.32 -1.26 -4.30 117.00 124.69 1gkh n LEU 37 Ca -0.02 -3.58 0.00 0.00 -0.02 0.00 0.00 56.01 52.39 1gkh n LEU 37 Cb 0.49 -0.63 0.00 0.00 -1.62 0.00 0.00 43.42 41.65 1gkh n LEU 37 CO 0.48 1.10 0.00 0.61 -1.22 0.00 0.00 177.39 178.36 1gkh n GLY 38 N -0.98 1.11 3.26 -0.72 0.00 -1.26 -5.00 105.19 101.60 1gkh n GLY 38 Ca 0.33 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.05 1gkh n GLY 38 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1gkh n ASN 39 N 0.00 -3.13 -0.08 1.61 2.04 -1.26 -4.97 115.26 109.47 1gkh n ASN 39 Ca 0.00 -1.00 -0.08 0.00 -0.44 0.00 0.00 54.58 53.06 1gkh n ASN 39 Cb 0.00 -0.98 -0.02 0.00 -2.53 0.00 0.00 39.78 36.26 1gkh n ASN 39 CO 0.00 0.00 0.00 -0.33 -0.44 0.00 0.00 177.26 176.49 1gkh h GLU 40 N 0.00 -0.25 -5.76 -3.83 5.08 -2.04 -3.43 114.58 104.35 1gkh h GLU 40 Ca -0.39 0.02 -0.61 0.00 -1.00 0.00 0.00 59.36 57.37 1gkh h GLU 40 Cb 1.26 0.06 -0.12 0.00 0.50 0.00 0.00 28.75 30.45 1gkh h GLU 40 CO 0.25 -0.16 -0.59 0.71 -1.00 0.00 0.00 179.01 178.22 1gkh s TYR 41 N -6.05 2.53 0.68 4.33 2.02 -1.26 -5.14 117.35 114.46 1gkh s TYR 41 Ca -0.15 -0.62 -0.16 0.00 -0.37 0.00 0.00 57.07 55.77 1gkh s TYR 41 Cb 0.13 -1.76 0.01 0.00 -0.40 0.00 0.00 41.96 39.93 1gkh s TYR 41 CO 0.68 0.41 1.21 -1.25 -1.57 0.00 0.00 175.55 175.02 1gkh s PRO 42 N -3.74 2.46 0.15 -1.71 0.04 -1.26 -4.76 135.00 126.18 1gkh s PRO 42 Ca 0.36 1.78 -0.10 0.00 0.04 0.00 0.00 61.00 63.07 1gkh s PRO 42 Cb 0.07 -1.87 -0.06 0.00 0.04 0.00 0.00 34.50 32.68 1gkh s PRO 42 CO 0.19 -1.59 0.48 0.14 0.04 0.00 0.00 177.00 176.26 1gkh s VAL 43 N -1.85 4.99 -0.08 -0.36 -7.23 0.48 -4.80 120.40 111.55 1gkh s VAL 43 Ca 0.75 0.51 -0.30 0.00 -1.81 0.00 0.00 61.98 61.13 1gkh s VAL 43 Cb -0.30 -3.66 -0.03 0.00 0.56 0.00 0.00 36.38 32.96 1gkh s VAL 43 CO 0.41 0.14 1.24 -0.76 -0.31 0.00 0.00 175.10 175.82 1gkh s LEU 44 N -2.29 4.26 0.06 1.32 1.43 -1.26 -0.95 118.68 121.24 1gkh s LEU 44 Ca 0.40 1.82 0.07 0.00 -1.03 0.00 0.00 54.13 55.38 1gkh s LEU 44 Cb -0.13 -3.55 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 1gkh s LEU 44 CO 0.20 -0.64 -0.20 -0.69 0.23 0.00 0.00 176.35 175.25 1gkh s VAL 45 N 2.56 1.61 -0.16 -1.59 1.01 -0.01 -4.96 120.40 118.86 1gkh s VAL 45 Ca 0.56 -1.26 -0.10 0.00 0.00 0.00 0.00 61.98 61.19 1gkh s VAL 45 Cb -0.25 -1.42 -0.05 0.00 0.00 0.00 0.00 36.38 34.66 1gkh s VAL 45 CO 0.21 0.12 0.17 -0.75 0.00 0.00 0.00 175.10 174.84 1gkh s LYS 46 N -1.35 3.98 -0.07 2.72 2.20 -1.26 -1.01 119.74 124.96 1gkh s LYS 46 Ca 0.06 -0.12 0.01 0.00 -0.36 0.00 0.00 55.97 55.57 1gkh s LYS 46 Cb -0.09 -3.35 -0.03 0.00 -1.51 0.00 0.00 37.83 32.85 1gkh s LYS 46 CO 0.02 0.44 -0.09 0.42 -0.36 0.00 0.00 175.35 175.79 1gkh s ILE 47 N -0.07 3.56 -0.26 5.43 1.01 0.76 -4.98 121.20 126.64 1gkh s ILE 47 Ca 0.12 -0.53 -0.00 0.00 0.00 0.00 0.00 60.65 60.23 1gkh s ILE 47 Cb -0.12 -2.44 0.04 0.00 0.01 0.00 0.00 42.46 39.95 1gkh s ILE 47 CO 0.01 0.59 -0.07 -0.89 0.00 0.00 0.00 174.94 174.58 1gkh s THR 48 N -0.76 2.65 0.71 2.92 2.01 -1.26 -1.19 115.64 120.71 1gkh s THR 48 Ca 0.12 -1.25 -0.12 0.00 0.31 0.00 0.00 61.69 60.75 1gkh s THR 48 Cb -0.11 -2.41 0.02 0.00 0.01 0.00 0.00 72.50 70.00 1gkh s THR 48 CO 0.01 0.11 1.08 -0.76 -0.69 0.00 0.00 174.62 174.37 1gkh s LEU 49 N 1.25 3.18 0.84 4.42 1.02 -0.24 -4.86 118.68 124.30 1gkh s LEU 49 Ca -0.03 1.77 -0.12 0.00 0.02 0.00 0.00 54.13 55.78 1gkh s LEU 49 Cb -0.18 -4.52 0.10 0.00 0.02 0.00 0.00 46.19 41.61 1gkh s LEU 49 CO -0.05 -1.65 1.10 -1.81 0.02 0.00 0.00 176.35 173.96 1gkh s ASP 50 N -3.35 4.02 -0.02 2.29 1.01 -1.26 -4.54 116.67 114.81 1gkh s ASP 50 Ca 0.61 1.36 -0.36 0.00 0.71 0.00 0.00 52.55 54.87 1gkh s ASP 50 Cb -0.16 -2.06 -0.14 0.00 1.01 0.00 0.00 42.92 41.56 1gkh s ASP 50 CO 0.51 -2.28 1.63 1.21 0.21 0.00 0.00 175.17 176.46 1gkh n GLU 51 N -3.64 1.67 -1.10 8.23 2.13 -1.26 -1.10 120.64 125.57 1gkh n GLU 51 Ca 0.07 0.61 -0.03 0.00 0.66 0.00 0.00 57.16 58.46 1gkh n GLU 51 Cb 0.56 -2.34 -0.01 0.00 0.27 0.00 0.00 31.44 29.91 1gkh n GLU 51 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1gkh n GLY 52 N 3.62 0.50 3.69 8.31 0.00 -1.26 -4.97 105.19 115.06 1gkh n GLY 52 Ca 0.21 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 1gkh n GLY 52 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1gkh s GLN 53 N -1.73 4.37 0.67 1.61 2.00 -0.26 -5.05 119.66 121.27 1gkh s GLN 53 Ca 0.00 1.12 -0.17 0.00 -2.00 0.00 0.00 55.36 54.31 1gkh s GLN 53 Cb 0.00 -3.54 0.00 0.00 0.80 0.00 0.00 33.01 30.28 1gkh s GLN 53 CO 0.00 -0.24 1.24 -1.25 -0.50 0.00 0.00 175.29 174.54 1gkh s PRO 54 N 1.80 2.50 0.78 1.67 0.04 -1.26 -4.82 135.00 135.71 1gkh s PRO 54 Ca 0.42 1.88 -0.12 0.00 0.04 0.00 0.00 61.00 63.22 1gkh s PRO 54 Cb -0.18 -1.86 0.07 0.00 0.04 0.00 0.00 34.50 32.57 1gkh s PRO 54 CO 0.16 -1.59 1.13 0.00 0.04 0.00 0.00 177.00 176.74 1gkh s ALA 55 N -1.68 2.07 0.23 8.56 0.00 -1.26 -5.00 121.76 124.69 1gkh s ALA 55 Ca 0.78 0.50 -0.26 0.00 0.00 0.00 0.00 51.96 52.98 1gkh s ALA 55 Cb -0.32 -3.36 -0.09 0.00 0.00 0.00 0.00 23.12 19.35 1gkh s ALA 55 CO 0.40 -1.95 0.85 0.71 0.00 0.00 0.00 175.76 175.77 1gkh s TYR 56 N -2.60 3.82 0.61 0.00 2.02 -1.26 -5.07 117.35 114.87 1gkh s TYR 56 Ca 0.66 1.69 -0.15 0.00 -0.37 0.00 0.00 57.07 58.90 1gkh s TYR 56 Cb -0.21 -2.83 -0.03 0.00 -0.40 0.00 0.00 41.96 38.49 1gkh s TYR 56 CO 0.52 0.39 1.05 0.00 -1.57 0.00 0.00 175.55 175.95 1gkh s ALA 57 N -1.34 2.75 0.49 3.71 0.00 -1.26 -4.69 121.76 121.42 1gkh s ALA 57 Ca 0.42 0.32 -0.21 0.00 0.00 0.00 0.00 51.96 52.49 1gkh s ALA 57 Cb -0.21 -3.21 -0.10 0.00 0.00 0.00 0.00 23.12 19.59 1gkh s ALA 57 CO 0.26 -0.84 0.63 -2.30 0.00 0.00 0.00 175.76 173.50 1gkh n PRO 58 N -2.21 0.68 0.00 0.00 -0.02 -1.26 -4.82 135.00 127.37 1gkh n PRO 58 Ca 0.08 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 1gkh n PRO 58 Cb 0.53 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 1gkh n PRO 58 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gkh n GLY 59 N 1.67 1.09 3.77 -1.23 0.00 -0.74 -4.98 105.19 104.76 1gkh n GLY 59 Ca 0.11 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.95 1gkh n GLY 59 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gkh s LEU 60 N 0.00 4.33 0.20 0.99 1.43 -1.26 -1.04 118.68 123.34 1gkh s LEU 60 Ca 0.00 0.74 0.03 0.00 -1.03 0.00 0.00 54.13 53.87 1gkh s LEU 60 Cb 0.00 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.65 1gkh s LEU 60 CO 0.00 0.15 -0.01 -0.31 0.23 0.00 0.00 176.35 176.42 1gkh s TYR 61 N -0.04 1.42 0.20 0.29 1.51 0.87 -2.03 117.35 119.57 1gkh s TYR 61 Ca 0.22 -0.95 0.03 0.00 -1.01 0.00 0.00 57.07 55.36 1gkh s TYR 61 Cb -0.15 -0.81 -0.05 0.00 -0.11 0.00 0.00 41.96 40.84 1gkh s TYR 61 CO 0.09 -0.09 -0.02 -0.08 -1.11 0.00 0.00 175.55 174.33 1gkh s THR 62 N -3.50 0.97 -0.13 -0.71 -1.32 0.83 -1.57 115.64 110.21 1gkh s THR 62 Ca 0.26 -2.03 -0.29 0.00 -1.21 0.00 0.00 61.69 58.42 1gkh s THR 62 Cb 0.06 -2.19 -0.01 0.00 -1.51 0.00 0.00 72.50 68.84 1gkh s THR 62 CO 0.07 -0.45 1.13 -0.69 -2.21 0.00 0.00 174.62 172.47 1gkh s VAL 63 N -3.46 4.49 0.30 5.08 1.01 -1.23 -1.76 120.40 124.82 1gkh s VAL 63 Ca 0.25 1.79 -0.27 0.00 0.00 0.00 0.00 61.98 63.75 1gkh s VAL 63 Cb 0.05 -4.15 -0.10 0.00 0.00 0.00 0.00 36.38 32.18 1gkh s VAL 63 CO 0.06 -0.07 0.96 -2.28 0.00 0.00 0.00 175.10 173.77 1gkh s HIS 64 N 2.65 3.75 0.43 5.22 5.04 0.43 -4.92 115.29 127.88 1gkh s HIS 64 Ca 0.51 1.81 0.16 0.00 -1.54 0.00 0.00 55.06 56.00 1gkh s HIS 64 Cb -0.20 -2.97 1.07 0.00 0.04 0.00 0.00 32.58 30.51 1gkh s HIS 64 CO 0.16 0.19 1.93 -0.07 -2.34 0.00 0.00 174.74 174.61 1gkh h LEU 65 N 3.45 0.37 0.00 8.88 3.38 -1.96 0.08 115.31 129.51 1gkh h LEU 65 Ca -0.46 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1gkh h LEU 65 Cb 1.20 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1gkh h LEU 65 CO 0.66 0.20 0.00 -1.54 0.09 0.00 0.00 178.44 177.85 1gkh n SER 66 N -4.47 0.00 0.25 -0.43 3.41 -1.26 -1.89 113.62 109.23 1gkh n SER 66 Ca 0.14 0.45 0.17 0.00 -0.26 0.00 0.00 58.87 59.36 1gkh n SER 66 Cb 0.51 -0.45 0.80 0.00 -0.26 0.00 0.00 64.21 64.82 1gkh n SER 66 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1gkh h SER 67 N 0.00 0.00 -2.56 4.04 0.02 -1.17 -3.46 113.55 110.42 1gkh h SER 67 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 1gkh h SER 67 Cb 0.01 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.45 1gkh h SER 67 CO 0.00 0.00 -0.63 -0.36 -1.14 0.00 0.00 176.83 174.70 1gkh s PHE 68 N -3.73 2.87 0.20 3.45 0.08 -0.79 -0.12 117.98 119.93 1gkh s PHE 68 Ca -0.01 -0.15 -0.23 0.00 0.12 0.00 0.00 56.93 56.67 1gkh s PHE 68 Cb 0.10 -1.34 0.05 0.00 -0.57 0.00 0.00 43.02 41.26 1gkh s PHE 68 CO 0.41 0.55 0.73 -3.38 -0.10 0.00 0.00 175.22 173.43 1gkh s HIS 69 N -1.97 -0.29 -0.24 0.36 -3.43 0.15 -4.80 115.29 105.08 1gkh s HIS 69 Ca 0.30 -0.04 -0.27 0.00 -0.80 0.00 0.00 55.06 54.25 1gkh s HIS 69 Cb -0.08 0.64 0.00 0.00 -1.43 0.00 0.00 32.58 31.71 1gkh s HIS 69 CO 0.20 -1.01 0.93 0.08 -2.00 0.00 0.00 174.74 172.95 1gkh s VAL 70 N -3.71 4.76 1.13 -5.38 1.01 -1.26 0.16 120.40 117.11 1gkh s VAL 70 Ca 0.08 1.79 -0.19 0.00 0.00 0.00 0.00 61.98 63.66 1gkh s VAL 70 Cb -0.03 -4.21 0.27 0.00 0.00 0.00 0.00 36.38 32.40 1gkh s VAL 70 CO -0.01 -0.13 1.23 -0.83 0.00 0.00 0.00 175.10 175.36 1gkh s GLY 71 N 1.27 1.70 0.44 4.51 0.00 0.35 -4.87 107.32 110.72 1gkh s GLY 71 Ca 0.39 -1.20 0.20 0.00 0.00 0.00 0.00 44.72 44.11 1gkh s GLY 71 CO 0.07 -0.30 1.88 -1.61 0.00 0.00 0.00 173.10 173.13 1gkh h GLN 72 N -2.30 0.32 -0.62 2.90 4.15 -1.96 -1.37 115.11 116.23 1gkh h GLN 72 Ca -0.43 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 58.97 1gkh h GLN 72 Cb 1.25 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1gkh h GLN 72 CO 0.30 0.21 0.00 1.19 -1.93 0.00 0.00 178.83 178.60 1gkh n PHE 73 N -4.46 1.81 -0.22 3.99 3.72 -1.26 -4.97 117.46 116.06 1gkh n PHE 73 Ca 0.18 -0.66 0.00 0.00 -0.05 0.00 0.00 57.45 56.92 1gkh n PHE 73 Cb 0.69 -0.39 0.00 0.00 -0.94 0.00 0.00 39.48 38.84 1gkh n PHE 73 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1gkh n GLY 74 N 0.85 2.21 3.91 1.37 0.00 -0.52 -5.04 105.19 107.97 1gkh n GLY 74 Ca 0.27 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.01 1gkh n GLY 74 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gkh s SER 75 N -3.57 6.34 0.07 1.61 1.04 -1.26 -4.78 113.70 113.14 1gkh s SER 75 Ca 0.00 0.84 -0.30 0.00 0.48 0.00 0.00 55.95 56.96 1gkh s SER 75 Cb 0.00 -2.20 -0.05 0.00 0.10 0.00 0.00 66.02 63.87 1gkh s SER 75 CO 0.00 -0.43 1.11 -0.22 0.98 0.00 0.00 173.24 174.68 1gkh s LEU 76 N -4.32 4.39 0.18 2.42 2.96 -1.26 -0.50 118.68 122.56 1gkh s LEU 76 Ca 0.46 1.92 0.10 0.00 -0.22 0.00 0.00 54.13 56.39 1gkh s LEU 76 Cb -0.10 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.96 1gkh s LEU 76 CO 0.38 -0.36 -0.22 -0.04 -1.32 0.00 0.00 176.35 174.80 1gkh s MET 77 N 0.77 1.41 -0.11 1.98 -1.94 0.12 -4.83 119.30 116.71 1gkh s MET 77 Ca 0.55 -1.47 -0.28 0.00 -1.71 0.00 0.00 55.69 52.78 1gkh s MET 77 Cb -0.27 -1.63 -0.02 0.00 2.01 0.00 0.00 34.83 34.93 1gkh s MET 77 CO 0.30 0.34 0.94 0.42 -0.01 0.00 0.00 175.02 177.01 1gkh s ILE 78 N -1.81 4.83 0.00 2.53 1.01 -1.26 -0.67 121.20 125.83 1gkh s ILE 78 Ca 0.18 1.91 0.00 0.00 0.00 0.00 0.00 60.65 62.74 1gkh s ILE 78 Cb -0.07 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 38.15 1gkh s ILE 78 CO 0.08 0.04 0.19 -0.67 0.00 0.00 0.00 174.94 174.59 1gkh n ASP 79 N 4.87 0.00 -3.85 3.58 2.03 0.83 -4.91 116.55 119.10 1gkh n ASP 79 Ca 0.07 0.32 -0.12 0.00 0.52 0.00 0.00 54.79 55.58 1gkh n ASP 79 Cb 0.49 -0.18 -0.10 0.00 -0.72 0.00 0.00 41.12 40.62 1gkh n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gkh s ARG 80 N -0.74 0.51 -0.33 -0.67 1.70 -1.24 -5.08 118.95 113.09 1gkh s ARG 80 Ca 0.00 -0.35 -0.28 0.00 -0.47 0.00 0.00 55.73 54.63 1gkh s ARG 80 Cb 0.00 0.21 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 1gkh s ARG 80 CO 0.00 -0.12 2.13 -1.17 -1.08 0.00 0.00 175.30 175.05 1gkh s LEU 81 N -1.35 3.43 -0.31 -1.89 2.96 -1.26 -4.37 118.68 115.90 1gkh s LEU 81 Ca -0.14 1.45 -0.11 0.00 -0.22 0.00 0.00 54.13 55.11 1gkh s LEU 81 Cb -0.07 -3.23 -0.02 0.00 0.50 0.00 0.00 46.19 43.37 1gkh s LEU 81 CO 0.02 -2.12 0.18 -0.13 -1.32 0.00 0.00 176.35 172.97 1gkh s ARG 82 N 6.63 3.48 0.09 1.98 0.52 -1.26 -4.93 118.95 125.45 1gkh s ARG 82 Ca 0.92 -0.64 0.03 0.00 -0.52 0.00 0.00 55.73 55.52 1gkh s ARG 82 Cb -0.25 -3.63 -0.04 0.00 0.52 0.00 0.00 34.95 31.54 1gkh s ARG 82 CO 0.32 -0.38 0.11 -0.51 0.02 0.00 0.00 175.30 174.85 1gkh s LEU 83 N 1.66 3.89 -0.00 2.53 1.43 -1.26 -0.43 118.68 126.50 1gkh s LEU 83 Ca 0.05 0.02 0.04 0.00 -1.03 0.00 0.00 54.13 53.21 1gkh s LEU 83 Cb -0.17 -2.55 -0.01 0.00 0.03 0.00 0.00 46.19 43.49 1gkh s LEU 83 CO 0.08 0.16 -0.12 0.68 0.23 0.00 0.00 176.35 177.38 1gkh s VAL 84 N -1.46 0.94 0.30 -1.59 -7.23 -0.72 -4.86 120.40 105.78 1gkh s VAL 84 Ca 0.30 -0.55 -0.29 0.00 -1.81 0.00 0.00 61.98 59.63 1gkh s VAL 84 Cb -0.12 -0.79 -0.13 0.00 0.56 0.00 0.00 36.38 35.90 1gkh s VAL 84 CO 0.23 0.23 1.36 -0.81 -0.31 0.00 0.00 175.10 175.80 1gkh n PRO 85 N 2.70 2.16 0.00 4.82 -0.04 -1.26 -0.12 135.00 143.26 1gkh n PRO 85 Ca -0.14 0.76 0.03 0.00 -0.04 0.00 0.00 63.50 64.11 1gkh n PRO 85 Cb 0.56 -2.39 0.16 0.00 -0.04 0.00 0.00 33.50 31.79 1gkh n PRO 85 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46