#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gk1 s ALA 9 N 0.00 1.68 0.62 1.69 0.00 -1.26 -5.14 121.76 119.35 1gk1 s ALA 9 Ca 0.00 -1.23 -0.17 0.00 0.00 0.00 0.00 51.96 50.56 1gk1 s ALA 9 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 23.12 22.91 1gk1 s ALA 9 CO 0.00 0.28 1.13 -1.25 0.00 0.00 0.00 175.76 175.93 1gk1 s PRO 10 N -2.05 2.92 0.50 0.00 0.04 -1.26 -4.95 135.00 130.20 1gk1 s PRO 10 Ca 0.06 1.54 -0.21 0.00 0.04 0.00 0.00 61.00 62.43 1gk1 s PRO 10 Cb -0.09 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.40 1gk1 s PRO 10 CO 0.04 -1.18 0.76 0.44 0.04 0.00 0.00 177.00 177.10 1gk1 n ILE 11 N -2.02 2.52 -1.68 0.56 -5.35 -1.26 -4.82 119.36 107.30 1gk1 n ILE 11 Ca 0.11 -0.50 -0.45 0.00 -0.27 0.00 0.00 62.75 61.65 1gk1 n ILE 11 Cb 0.51 -0.89 -0.04 0.00 -1.74 0.00 0.00 39.64 37.49 1gk1 n ILE 11 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1gk1 n ALA 12 N -1.20 1.81 -1.76 -1.28 0.00 -1.26 -4.95 120.51 111.87 1gk1 n ALA 12 Ca 0.11 0.42 -0.33 0.00 0.00 0.00 0.00 53.44 53.64 1gk1 n ALA 12 Cb 0.43 -2.42 -0.02 0.00 0.00 0.00 0.00 19.45 17.44 1gk1 n ALA 12 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gk1 s ALA 13 N 1.19 2.89 0.36 0.00 0.00 -1.26 -5.00 121.76 119.93 1gk1 s ALA 13 Ca 0.78 0.41 -0.27 0.00 0.00 0.00 0.00 51.96 52.89 1gk1 s ALA 13 Cb -0.62 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 19.20 1gk1 s ALA 13 CO 0.37 -0.42 1.17 -0.47 0.00 0.00 0.00 175.76 176.41 1gk1 s TYR 14 N -2.31 3.21 -0.40 0.00 5.04 -1.26 -5.01 117.35 116.61 1gk1 s TYR 14 Ca 0.63 1.57 -0.03 0.00 -2.44 0.00 0.00 57.07 56.80 1gk1 s TYR 14 Cb -0.14 -3.41 0.10 0.00 0.35 0.00 0.00 41.96 38.87 1gk1 s TYR 14 CO 0.28 -1.19 0.19 0.15 -1.34 0.00 0.00 175.55 173.64 1gk1 s LYS 15 N -1.99 2.05 0.37 4.97 3.01 -1.26 -5.09 119.74 121.80 1gk1 s LYS 15 Ca 0.52 -1.76 -0.28 0.00 -1.01 0.00 0.00 55.97 53.44 1gk1 s LYS 15 Cb -0.32 -3.56 -0.11 0.00 -1.01 0.00 0.00 37.83 32.83 1gk1 s LYS 15 CO 0.41 -1.03 1.45 -2.14 0.51 0.00 0.00 175.35 174.55 1gk1 s PRO 16 N 1.16 4.16 0.00 -1.68 0.02 -1.26 -4.93 135.00 132.47 1gk1 s PRO 16 Ca 0.07 2.50 0.10 0.00 0.02 0.00 0.00 61.00 63.68 1gk1 s PRO 16 Cb -0.23 -2.99 -0.04 0.00 0.02 0.00 0.00 34.50 31.26 1gk1 s PRO 16 CO -0.04 -0.46 0.54 0.54 -0.33 0.00 0.00 177.00 177.25 1gk1 n ARG 17 N 0.56 2.80 -3.59 5.54 1.74 -1.26 -4.69 116.66 117.76 1gk1 n ARG 17 Ca 0.01 -0.36 -0.11 0.00 -0.77 0.00 0.00 57.85 56.61 1gk1 n ARG 17 Cb 0.40 -1.03 -0.04 0.00 -1.02 0.00 0.00 32.46 30.77 1gk1 n ARG 17 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 1gk1 s SER 18 N -1.57 -0.33 -0.22 0.55 1.04 -1.26 -5.00 113.70 106.92 1gk1 s SER 18 Ca 0.06 -0.15 -0.19 0.00 0.48 0.00 0.00 55.95 56.15 1gk1 s SER 18 Cb 0.08 0.50 -0.03 0.00 0.10 0.00 0.00 66.02 66.67 1gk1 s SER 18 CO 0.31 -0.84 0.56 0.20 0.98 0.00 0.00 173.24 174.45 1gk1 s ASN 19 N -2.60 6.57 0.05 7.02 0.01 -1.26 -4.56 114.94 120.18 1gk1 s ASN 19 Ca 0.01 0.69 -0.23 0.00 -0.71 0.00 0.00 52.86 52.62 1gk1 s ASN 19 Cb 0.01 -2.31 0.05 0.00 0.41 0.00 0.00 41.25 39.41 1gk1 s ASN 19 CO -0.10 -0.25 0.53 -1.83 -1.51 0.00 0.00 177.10 173.95 1gk1 s GLU 20 N 1.94 1.06 -0.17 -0.60 -1.05 -0.83 -5.02 118.70 114.03 1gk1 s GLU 20 Ca 0.25 -0.23 -0.00 0.00 -0.15 0.00 0.00 54.97 54.84 1gk1 s GLU 20 Cb -0.16 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.02 1gk1 s GLU 20 CO 0.10 -0.39 -0.15 0.42 0.95 0.00 0.00 175.26 176.19 1gk1 s ILE 21 N -2.49 2.62 -0.33 1.83 1.01 -1.26 -1.30 121.20 121.29 1gk1 s ILE 21 Ca -0.05 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 1gk1 s ILE 21 Cb -0.01 -2.12 0.04 0.00 0.01 0.00 0.00 42.46 40.38 1gk1 s ILE 21 CO -0.02 0.51 0.10 -0.76 0.00 0.00 0.00 174.94 174.76 1gk1 s LEU 22 N 1.00 4.24 -0.09 2.97 1.43 -0.31 -4.91 118.68 123.01 1gk1 s LEU 22 Ca -0.02 -1.11 -0.18 0.00 -1.03 0.00 0.00 54.13 51.80 1gk1 s LEU 22 Cb -0.15 -1.86 -0.05 0.00 0.03 0.00 0.00 46.19 44.17 1gk1 s LEU 22 CO -0.03 -0.31 0.48 0.26 0.23 0.00 0.00 176.35 176.98 1gk1 s TRP 23 N 1.40 3.57 0.67 0.29 0.52 -1.26 -1.45 118.94 122.68 1gk1 s TRP 23 Ca -0.01 0.94 -0.00 0.00 0.02 0.00 0.00 56.10 57.05 1gk1 s TRP 23 Cb -0.19 -2.52 0.13 0.00 -1.15 0.00 0.00 33.47 29.74 1gk1 s TRP 23 CO 0.03 0.26 0.92 -0.40 0.02 0.00 0.00 176.95 177.77 1gk1 n ASP 24 N 3.27 1.23 0.28 2.95 5.68 -0.96 -4.94 116.55 124.06 1gk1 n ASP 24 Ca -0.08 -2.04 0.16 0.00 -0.50 0.00 0.00 54.79 52.33 1gk1 n ASP 24 Cb 0.52 -0.59 0.77 0.00 -1.14 0.00 0.00 41.12 40.67 1gk1 n ASP 24 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1gk1 h GLY 25 N -0.55 0.00 -2.56 6.12 0.00 -1.98 -1.65 103.07 102.45 1gk1 h GLY 25 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1gk1 h GLY 25 CO 0.32 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 175.14 1gk1 n TYR 26 N -3.07 1.20 -1.60 5.60 4.01 -1.26 -4.93 117.16 117.11 1gk1 n TYR 26 Ca 0.00 -0.61 -0.06 0.00 -0.16 0.00 0.00 57.90 57.08 1gk1 n TYR 26 Cb 0.47 -0.19 -0.01 0.00 -0.31 0.00 0.00 39.34 39.30 1gk1 n TYR 26 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gk1 n GLY 27 N 0.90 0.50 3.65 2.72 0.00 -0.62 -5.01 105.19 107.33 1gk1 n GLY 27 Ca 0.23 -0.74 -0.39 0.00 0.00 0.00 0.00 46.02 45.12 1gk1 n GLY 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gk1 s VAL 28 N -2.24 5.16 0.10 1.61 1.01 -1.26 -4.92 120.40 119.86 1gk1 s VAL 28 Ca 0.00 0.75 -0.23 0.00 0.00 0.00 0.00 61.98 62.50 1gk1 s VAL 28 Cb 0.00 -3.76 -0.07 0.00 0.00 0.00 0.00 36.38 32.56 1gk1 s VAL 28 CO 0.00 0.20 0.68 -2.16 0.00 0.00 0.00 175.10 173.82 1gk1 s PRO 29 N 1.64 4.40 -0.40 2.72 0.04 -1.26 -2.26 135.00 139.88 1gk1 s PRO 29 Ca 0.19 0.95 0.01 0.00 0.04 0.00 0.00 61.00 62.19 1gk1 s PRO 29 Cb -0.15 -3.28 0.11 0.00 0.04 0.00 0.00 34.50 31.22 1gk1 s PRO 29 CO 0.09 0.53 0.15 -1.01 0.04 0.00 0.00 177.00 176.80 1gk1 s HIS 30 N -0.87 3.63 -0.25 0.56 3.76 -0.53 -4.97 115.29 116.64 1gk1 s HIS 30 Ca 0.33 -2.78 -0.18 0.00 -0.15 0.00 0.00 55.06 52.28 1gk1 s HIS 30 Cb -0.21 -3.05 -0.03 0.00 1.11 0.00 0.00 32.58 30.40 1gk1 s HIS 30 CO 0.22 -0.94 0.52 0.42 -0.85 0.00 0.00 174.74 174.12 1gk1 s ILE 31 N 0.84 5.07 -0.20 0.60 1.01 -1.26 -1.16 121.20 126.10 1gk1 s ILE 31 Ca 0.11 0.91 -0.02 0.00 0.00 0.00 0.00 60.65 61.65 1gk1 s ILE 31 Cb -0.21 -3.84 -0.00 0.00 0.01 0.00 0.00 42.46 38.42 1gk1 s ILE 31 CO -0.06 0.10 -0.09 -0.31 0.00 0.00 0.00 174.94 174.59 1gk1 s TYR 32 N 2.16 2.89 0.08 3.97 1.51 -0.42 -5.02 117.35 122.53 1gk1 s TYR 32 Ca 0.22 -1.05 0.08 0.00 -1.01 0.00 0.00 57.07 55.31 1gk1 s TYR 32 Cb -0.16 -2.02 -0.03 0.00 -0.11 0.00 0.00 41.96 39.64 1gk1 s TYR 32 CO 0.09 -0.55 -0.21 0.20 -1.11 0.00 0.00 175.55 173.97 1gk1 s GLY 33 N 1.26 1.20 0.12 0.71 0.00 -1.26 -1.97 107.32 107.38 1gk1 s GLY 33 Ca 0.03 -1.18 0.24 0.00 0.00 0.00 0.00 44.72 43.81 1gk1 s GLY 33 CO -0.04 -1.15 1.75 3.33 0.00 0.00 0.00 173.10 176.98 1gk1 n VAL 34 N 1.36 0.56 -3.92 1.40 0.24 -1.26 -4.67 118.33 112.05 1gk1 n VAL 34 Ca -0.19 0.01 -0.09 0.00 -2.04 0.00 0.00 64.34 62.03 1gk1 n VAL 34 Cb 0.53 -0.77 -0.02 0.00 -1.47 0.00 0.00 33.84 32.11 1gk1 n VAL 34 CO 0.00 0.00 0.00 1.51 -2.14 0.00 0.00 176.83 176.20 1gk1 s ASP 35 N -3.76 -0.02 0.09 -1.34 1.47 -1.26 -5.02 116.67 106.83 1gk1 s ASP 35 Ca 0.09 -0.92 -0.23 0.00 1.18 0.00 0.00 52.55 52.67 1gk1 s ASP 35 Cb 0.13 0.70 -0.14 0.00 -0.34 0.00 0.00 42.92 43.28 1gk1 s ASP 35 CO 0.47 -1.35 1.73 0.00 0.68 0.00 0.00 175.17 176.69 1gk1 h ALA 36 N 2.09 -0.05 -1.01 2.11 0.00 -2.00 -2.41 119.26 118.00 1gk1 h ALA 36 Ca -0.25 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 54.77 1gk1 h ALA 36 Cb 1.25 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 1gk1 h ALA 36 CO 0.32 -0.54 0.64 -1.35 0.00 0.00 0.00 179.25 178.33 1gk1 h PRO 37 N -0.07 1.00 -0.40 0.00 0.11 -1.94 -0.93 132.00 129.78 1gk1 h PRO 37 Ca 0.01 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.97 1gk1 h PRO 37 Cb 0.07 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 30.94 1gk1 h PRO 37 CO -0.02 0.66 -0.11 0.77 -0.21 0.00 0.00 178.00 179.09 1gk1 h SER 38 N 1.03 0.69 -0.46 -2.05 0.02 -1.91 -0.87 113.55 109.99 1gk1 h SER 38 Ca 0.49 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 61.16 1gk1 h SER 38 Cb 0.43 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1gk1 h SER 38 CO -0.25 0.83 -0.00 0.00 -1.14 0.00 0.00 176.83 176.27 1gk1 h ALA 39 N 1.24 0.62 -0.15 3.77 0.00 -0.71 -1.58 119.26 122.45 1gk1 h ALA 39 Ca 0.11 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 1gk1 h ALA 39 Cb 0.56 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1gk1 h ALA 39 CO 0.04 0.42 -0.35 0.74 0.00 0.00 0.00 179.25 180.10 1gk1 h PHE 40 N 0.67 0.36 -0.21 0.00 -1.00 -0.97 -1.04 116.94 114.75 1gk1 h PHE 40 Ca 0.13 -0.09 -0.02 0.00 2.81 0.00 0.00 57.97 60.80 1gk1 h PHE 40 Cb 0.50 -0.08 -0.01 0.00 3.61 0.00 0.00 35.95 39.97 1gk1 h PHE 40 CO 0.04 0.63 0.05 -0.92 -1.61 0.00 0.00 178.31 176.50 1gk1 h TYR 41 N 0.27 0.36 -0.68 -0.55 3.20 -0.96 -1.24 116.97 117.37 1gk1 h TYR 41 Ca 0.03 -0.04 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 1gk1 h TYR 41 Cb 0.75 -0.10 -0.03 0.00 1.54 0.00 0.00 36.73 38.89 1gk1 h TYR 41 CO 0.02 0.45 0.24 0.78 -1.64 0.00 0.00 178.16 178.01 1gk1 h GLY 42 N 0.15 1.10 0.99 1.82 0.00 -1.06 -1.36 103.07 104.71 1gk1 h GLY 42 Ca 0.07 -0.61 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1gk1 h GLY 42 CO 0.00 0.57 0.31 -1.82 0.00 0.00 0.00 176.54 175.60 1gk1 h TYR 43 N 0.99 0.76 -0.64 5.60 3.20 -0.99 0.18 116.97 126.08 1gk1 h TYR 43 Ca 0.23 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 1gk1 h TYR 43 Cb 0.24 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 1gk1 h TYR 43 CO 0.02 0.55 0.19 0.78 -1.64 0.00 0.00 178.16 178.07 1gk1 h GLY 44 N 0.75 1.07 0.97 1.82 0.00 -0.88 -0.26 103.07 106.54 1gk1 h GLY 44 Ca 0.20 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 1gk1 h GLY 44 CO -0.03 0.60 0.23 -0.25 0.00 0.00 0.00 176.54 177.08 1gk1 h TRP 45 N 0.92 0.66 -0.32 5.60 2.91 -0.78 -0.44 115.95 124.50 1gk1 h TRP 45 Ca 0.20 -0.03 -0.02 0.00 1.13 0.00 0.00 58.89 60.18 1gk1 h TRP 45 Cb 0.30 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.73 1gk1 h TRP 45 CO 0.02 0.52 0.13 0.00 -1.03 0.00 0.00 178.44 178.08 1gk1 h ALA 46 N 1.07 0.42 -0.70 2.65 0.00 -0.35 -1.63 119.26 120.72 1gk1 h ALA 46 Ca 0.16 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1gk1 h ALA 46 Cb 0.10 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 1gk1 h ALA 46 CO -0.02 0.02 0.26 1.96 0.00 0.00 0.00 179.25 181.47 1gk1 h GLN 47 N 0.37 1.04 -0.69 0.00 4.20 -0.87 -0.83 115.11 118.33 1gk1 h GLN 47 Ca 0.11 -0.18 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1gk1 h GLN 47 Cb 0.19 -0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.77 1gk1 h GLN 47 CO -0.01 0.85 0.30 0.00 -0.67 0.00 0.00 178.83 179.31 1gk1 h ALA 48 N 1.27 0.89 -0.51 3.87 0.00 -0.85 0.39 119.26 124.33 1gk1 h ALA 48 Ca 0.23 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1gk1 h ALA 48 Cb 0.21 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1gk1 h ALA 48 CO -0.02 0.48 -0.11 -0.09 0.00 0.00 0.00 179.25 179.51 1gk1 h ARG 49 N 0.97 0.95 0.17 0.00 2.43 -0.76 0.20 114.38 118.34 1gk1 h ARG 49 Ca 0.23 -0.35 -0.33 0.00 -0.81 0.00 0.00 59.98 58.73 1gk1 h ARG 49 Cb 0.16 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.66 1gk1 h ARG 49 CO -0.02 1.01 -1.58 0.77 -1.51 0.00 0.00 179.97 178.63 1gk1 h SER 50 N 0.85 0.56 -0.19 -3.80 0.02 -0.90 -3.41 113.55 106.67 1gk1 h SER 50 Ca 0.13 -0.74 -0.21 0.00 -0.84 0.00 0.00 61.79 60.14 1gk1 h SER 50 Cb 0.66 -0.18 -0.37 0.00 0.14 0.00 0.00 62.40 62.65 1gk1 h SER 50 CO 0.05 1.61 -1.02 1.41 -1.14 0.00 0.00 176.83 177.74 1gk1 n HIS 51 N -3.55 0.60 -0.11 3.45 8.25 0.13 -4.97 115.22 119.02 1gk1 n HIS 51 Ca -0.19 -1.25 -0.11 0.00 -0.26 0.00 0.00 57.72 55.91 1gk1 n HIS 51 Cb 1.07 -0.20 -0.06 0.00 1.12 0.00 0.00 29.99 31.92 1gk1 n HIS 51 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1gk1 h GLY 52 N 1.64 -0.64 0.28 -1.41 0.00 -0.50 -1.92 103.07 100.53 1gk1 h GLY 52 Ca -0.15 0.57 0.05 0.00 0.00 0.00 0.00 47.33 47.80 1gk1 h GLY 52 CO 0.16 -0.18 -0.23 -0.55 0.00 0.00 0.00 176.54 175.74 1gk1 h ASP 53 N -0.37 -0.70 0.11 0.19 3.32 -1.89 -1.27 116.42 115.80 1gk1 h ASP 53 Ca 0.12 0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.20 1gk1 h ASP 53 Cb 0.60 0.32 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 1gk1 h ASP 53 CO -0.55 -0.27 -0.30 0.78 -1.72 0.00 0.00 179.24 177.18 1gk1 h ASN 54 N -0.27 0.30 -0.40 6.45 2.35 -1.96 -1.37 115.58 120.68 1gk1 h ASN 54 Ca 0.11 -0.10 -0.10 0.00 -0.55 0.00 0.00 56.30 55.66 1gk1 h ASN 54 Cb 0.44 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1gk1 h ASN 54 CO -0.31 0.60 -0.13 0.40 -1.65 0.00 0.00 177.43 176.33 1gk1 h ILE 55 N 0.26 1.28 -0.64 2.81 2.04 -1.04 -0.72 117.51 121.51 1gk1 h ILE 55 Ca 0.04 -1.25 -0.04 0.00 1.00 0.00 0.00 64.86 64.61 1gk1 h ILE 55 Cb 0.67 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 1gk1 h ILE 55 CO 0.05 0.42 0.23 -0.07 0.00 0.00 0.00 178.15 178.78 1gk1 h LEU 56 N 0.61 0.91 -0.16 1.44 4.07 -1.05 -0.39 115.31 120.74 1gk1 h LEU 56 Ca 0.10 -0.19 -0.01 0.00 0.08 0.00 0.00 57.88 57.86 1gk1 h LEU 56 Cb 0.67 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 42.17 1gk1 h LEU 56 CO 0.05 0.85 0.08 -0.09 -1.08 0.00 0.00 178.44 178.24 1gk1 h ARG 57 N 0.91 0.23 -0.67 1.13 2.43 -1.08 -0.82 114.38 116.51 1gk1 h ARG 57 Ca 0.21 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.38 1gk1 h ARG 57 Cb 0.24 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 1gk1 h ARG 57 CO -0.01 0.28 0.41 -0.07 -1.51 0.00 0.00 179.97 179.07 1gk1 h LEU 58 N 0.13 0.68 -1.07 3.80 -0.00 -0.87 -1.60 115.31 116.38 1gk1 h LEU 58 Ca 0.06 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 57.87 1gk1 h LEU 58 Cb 0.12 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.62 1gk1 h LEU 58 CO -0.01 0.47 -0.08 1.88 -0.00 0.00 0.00 178.44 180.70 1gk1 h TYR 59 N 0.81 0.61 -0.80 1.13 -1.99 -0.87 -1.31 116.97 114.55 1gk1 h TYR 59 Ca 0.27 -0.09 -0.03 0.00 2.00 0.00 0.00 58.73 60.88 1gk1 h TYR 59 Cb 0.02 -0.17 -0.04 0.00 2.00 0.00 0.00 36.73 38.55 1gk1 h TYR 59 CO -0.05 0.64 0.39 0.78 -0.00 0.00 0.00 178.16 179.92 1gk1 h GLY 60 N 0.92 1.23 0.99 3.88 0.00 -0.33 -2.62 103.07 107.13 1gk1 h GLY 60 Ca 0.10 -0.61 -0.10 0.00 0.00 0.00 0.00 47.33 46.73 1gk1 h GLY 60 CO 0.02 0.58 -0.13 0.83 0.00 0.00 0.00 176.54 177.84 1gk1 h GLU 61 N 1.13 0.77 -0.03 4.80 5.08 -0.78 -2.78 114.58 122.77 1gk1 h GLU 61 Ca 0.27 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1gk1 h GLU 61 Cb 0.11 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1gk1 h GLU 61 CO -0.04 0.93 0.06 0.00 -1.00 0.00 0.00 179.01 178.97 1gk1 h ALA 62 N 0.82 1.37 0.00 3.43 0.00 -0.97 0.33 119.26 124.24 1gk1 h ALA 62 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1gk1 h ALA 62 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1gk1 h ALA 62 CO 0.05 -0.08 0.00 0.54 0.00 0.00 0.00 179.25 179.75 1gk1 n ARG 63 N -3.49 0.24 -0.92 0.00 1.74 -1.01 -4.35 116.66 108.86 1gk1 n ARG 63 Ca -0.02 0.23 0.00 0.00 -0.77 0.00 0.00 57.85 57.29 1gk1 n ARG 63 Cb 0.15 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 29.79 1gk1 n ARG 63 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gk1 n GLY 64 N 1.12 0.70 0.42 -0.13 0.00 0.12 -4.81 105.19 102.61 1gk1 n GLY 64 Ca 0.05 -0.69 0.08 0.00 0.00 0.00 0.00 46.02 45.47 1gk1 n GLY 64 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1gk1 n LYS 65 N -2.06 1.82 -0.15 1.61 5.02 -1.10 -4.73 118.16 118.57 1gk1 n LYS 65 Ca 0.00 -2.75 -0.08 0.00 -2.02 0.00 0.00 58.31 53.46 1gk1 n LYS 65 Cb 0.12 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 1gk1 n LYS 65 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 1gk1 h GLY 66 N 0.67 0.67 1.09 0.72 0.00 -1.79 -0.36 103.07 104.07 1gk1 h GLY 66 Ca 0.01 -0.31 -0.10 0.00 0.00 0.00 0.00 47.33 46.93 1gk1 h GLY 66 CO 0.09 0.30 -0.03 0.00 0.00 0.00 0.00 176.54 176.90 1gk1 h ALA 67 N 1.08 0.82 -0.58 3.60 0.00 -1.76 0.26 119.26 122.68 1gk1 h ALA 67 Ca 0.16 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.67 1gk1 h ALA 67 Cb 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1gk1 h ALA 67 CO -0.02 0.68 0.10 1.49 0.00 0.00 0.00 179.25 181.49 1gk1 h GLU 68 N 0.98 0.97 0.18 0.00 4.81 -1.82 -0.65 114.58 119.05 1gk1 h GLU 68 Ca 0.17 -0.26 -0.24 0.00 -0.13 0.00 0.00 59.36 58.90 1gk1 h GLU 68 Cb 0.59 -0.11 0.03 0.00 0.63 0.00 0.00 28.75 29.89 1gk1 h GLU 68 CO 0.04 0.92 -1.05 1.88 -0.73 0.00 0.00 179.01 180.06 1gk1 h TYR 69 N 0.87 0.69 0.00 0.92 0.05 -0.98 -3.41 116.97 115.10 1gk1 h TYR 69 Ca 0.18 -0.50 0.00 0.00 0.05 0.00 0.00 58.73 58.46 1gk1 h TYR 69 Cb 0.42 -0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.13 1gk1 h TYR 69 CO 0.03 1.40 0.00 0.91 -1.05 0.00 0.00 178.16 179.45 1gk1 n TRP 70 N -3.99 0.00 -1.43 4.88 8.01 0.07 -5.09 117.44 119.89 1gk1 n TRP 70 Ca -0.15 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.04 1gk1 n TRP 70 Cb 0.92 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 30.22 1gk1 n TRP 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1gk1 n GLY 71 N 0.03 -1.81 0.33 6.99 0.00 -0.25 -4.67 105.19 105.82 1gk1 n GLY 71 Ca 0.00 -1.81 0.14 0.00 0.00 0.00 0.00 46.02 44.35 1gk1 n GLY 71 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1gk1 n PRO 72 N 0.00 -0.08 0.22 1.61 -0.02 -1.26 -0.87 135.00 134.60 1gk1 n PRO 72 Ca 0.00 1.43 0.15 0.00 -2.02 0.00 0.00 63.50 63.06 1gk1 n PRO 72 Cb 0.00 -2.27 0.77 0.00 -0.02 0.00 0.00 33.50 31.98 1gk1 n PRO 72 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1gk1 h ASP 73 N 0.00 0.00 -0.11 2.55 3.32 -1.96 -1.76 116.42 118.45 1gk1 h ASP 73 Ca 0.58 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.63 1gk1 h ASP 73 Cb 1.19 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1gk1 h ASP 73 CO -0.90 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 175.40 1gk1 n TYR 74 N -2.57 0.14 -0.16 4.55 4.02 -0.05 -4.68 117.16 118.40 1gk1 n TYR 74 Ca -0.01 -0.13 -0.10 0.00 -0.01 0.00 0.00 57.90 57.64 1gk1 n TYR 74 Cb 0.09 -0.01 -0.00 0.00 -0.02 0.00 0.00 39.34 39.40 1gk1 n TYR 74 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 176.86 177.34 1gk1 h GLU 75 N 2.37 0.81 -0.16 -0.72 4.81 -1.24 -2.77 114.58 117.68 1gk1 h GLU 75 Ca 0.00 -0.26 0.02 0.00 -0.13 0.00 0.00 59.36 58.98 1gk1 h GLU 75 Cb 0.58 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 1gk1 h GLU 75 CO 0.00 0.87 0.04 0.37 -0.73 0.00 0.00 179.01 179.56 1gk1 h GLN 76 N 0.66 0.10 -0.74 1.92 4.15 -1.83 -1.23 115.11 118.14 1gk1 h GLN 76 Ca 0.13 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.56 1gk1 h GLN 76 Cb 0.51 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.14 1gk1 h GLN 76 CO 0.03 0.07 0.49 1.15 -1.93 0.00 0.00 178.83 178.63 1gk1 h THR 77 N 0.11 1.16 -0.32 2.39 2.02 -1.89 -0.25 112.91 116.13 1gk1 h THR 77 Ca 0.07 -0.33 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 1gk1 h THR 77 Cb 0.06 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.57 1gk1 h THR 77 CO -0.09 0.17 0.19 0.74 0.37 0.00 0.00 175.52 176.91 1gk1 h THR 78 N 0.96 1.10 -0.60 3.16 2.02 -1.07 0.17 112.91 118.65 1gk1 h THR 78 Ca 0.28 -0.23 -0.05 0.00 0.77 0.00 0.00 66.41 67.18 1gk1 h THR 78 Cb -0.05 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 1gk1 h THR 78 CO -0.07 0.10 0.19 0.58 0.37 0.00 0.00 175.52 176.69 1gk1 h VAL 79 N 0.41 1.24 -0.26 3.16 2.07 -0.52 0.05 116.25 122.39 1gk1 h VAL 79 Ca 0.11 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.81 1gk1 h VAL 79 Cb -0.00 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1gk1 h VAL 79 CO -0.02 0.31 0.16 -0.25 0.02 0.00 0.00 177.57 177.79 1gk1 h TRP 80 N 0.85 0.34 -0.25 1.57 2.91 -0.70 -0.33 115.95 120.35 1gk1 h TRP 80 Ca 0.19 0.00 -0.17 0.00 1.13 0.00 0.00 58.89 60.05 1gk1 h TRP 80 Cb 0.29 -0.11 -0.00 0.00 -0.51 0.00 0.00 29.16 28.82 1gk1 h TRP 80 CO 0.02 0.25 -0.52 -0.07 -1.03 0.00 0.00 178.44 177.09 1gk1 h LEU 81 N 0.33 0.78 -0.16 0.65 3.38 -0.49 -2.45 115.31 117.36 1gk1 h LEU 81 Ca 0.09 -0.41 -0.09 0.00 0.09 0.00 0.00 57.88 57.57 1gk1 h LEU 81 Cb 0.01 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1gk1 h LEU 81 CO -0.02 1.16 -0.24 -0.07 0.09 0.00 0.00 178.44 179.36 1gk1 h LEU 82 N 0.55 0.48 -1.52 1.67 3.38 -0.92 -1.16 115.31 117.80 1gk1 h LEU 82 Ca 0.02 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 1gk1 h LEU 82 Cb 1.09 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 1gk1 h LEU 82 CO 0.11 0.91 0.12 0.74 0.09 0.00 0.00 178.44 180.41 1gk1 h THR 83 N 0.07 1.13 -0.20 0.22 2.02 -1.09 -0.34 112.91 114.71 1gk1 h THR 83 Ca 0.02 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.80 1gk1 h THR 83 Cb 0.81 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1gk1 h THR 83 CO 0.05 0.15 0.00 0.59 0.37 0.00 0.00 175.52 176.69 1gk1 n ASN 84 N -4.41 1.50 -2.84 4.18 3.02 -0.92 -4.94 115.26 110.85 1gk1 n ASN 84 Ca 0.02 -1.78 -0.20 0.00 -0.03 0.00 0.00 54.58 52.59 1gk1 n ASN 84 Cb 0.14 -0.13 0.01 0.00 -0.61 0.00 0.00 39.78 39.18 1gk1 n ASN 84 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gk1 n GLY 85 N 1.05 -0.50 0.19 7.41 0.00 -0.14 -4.91 105.19 108.29 1gk1 n GLY 85 Ca 0.14 0.06 -0.08 0.00 0.00 0.00 0.00 46.02 46.14 1gk1 n GLY 85 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1gk1 h VAL 86 N -0.68 1.16 -0.31 1.61 2.07 -1.47 -1.37 116.25 117.25 1gk1 h VAL 86 Ca -0.44 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 1gk1 h VAL 86 Cb 1.31 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.72 1gk1 h VAL 86 CO 0.51 0.16 0.18 -0.65 0.02 0.00 0.00 177.57 177.79 1gk1 h PRO 87 N 0.55 0.43 -0.56 1.57 0.11 -1.77 -0.38 132.00 131.95 1gk1 h PRO 87 Ca 0.15 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.16 1gk1 h PRO 87 Cb 0.05 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.05 1gk1 h PRO 87 CO -0.02 0.34 0.14 1.49 -0.21 0.00 0.00 178.00 179.74 1gk1 h GLU 88 N 0.39 0.90 -0.49 1.05 4.57 -1.92 -2.22 114.58 116.86 1gk1 h GLU 88 Ca 0.11 -0.22 -0.06 0.00 -1.18 0.00 0.00 59.36 58.01 1gk1 h GLU 88 Cb 0.03 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.48 1gk1 h GLU 88 CO -0.02 0.84 0.05 -0.09 -1.18 0.00 0.00 179.01 178.61 1gk1 h ARG 89 N 0.80 0.78 -0.94 1.92 2.43 -1.07 -1.76 114.38 116.54 1gk1 h ARG 89 Ca 0.18 -0.19 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1gk1 h ARG 89 Cb 0.35 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.74 1gk1 h ARG 89 CO 0.00 0.76 0.61 0.00 -1.51 0.00 0.00 179.97 179.83 1gk1 h ALA 90 N 1.31 1.24 -0.77 2.80 0.00 -0.71 0.24 119.26 123.37 1gk1 h ALA 90 Ca 0.15 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 1gk1 h ALA 90 Cb 0.38 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 1gk1 h ALA 90 CO 0.01 0.49 0.47 1.96 0.00 0.00 0.00 179.25 182.19 1gk1 h GLN 91 N 1.19 1.04 -0.08 0.00 1.08 -0.73 -0.34 115.11 117.27 1gk1 h GLN 91 Ca 0.37 -0.09 -0.02 0.00 -1.45 0.00 0.00 58.65 57.46 1gk1 h GLN 91 Cb -0.01 -0.22 -0.00 0.00 -0.05 0.00 0.00 27.48 27.20 1gk1 h GLN 91 CO -0.12 0.73 -0.03 1.96 -0.95 0.00 0.00 178.83 180.42 1gk1 h GLN 92 N 1.05 0.17 -1.00 1.46 4.20 -0.76 -2.21 115.11 118.02 1gk1 h GLN 92 Ca 0.28 -0.07 0.08 0.00 0.06 0.00 0.00 58.65 58.99 1gk1 h GLN 92 Cb -0.05 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.65 1gk1 h GLN 92 CO -0.05 0.52 0.64 -1.49 -0.67 0.00 0.00 178.83 177.78 1gk1 h TRP 93 N -0.19 1.19 -0.59 2.96 4.06 -0.41 -0.60 115.95 122.38 1gk1 h TRP 93 Ca 0.02 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.98 1gk1 h TRP 93 Cb 0.46 -0.39 -0.03 0.00 -1.00 0.00 0.00 29.16 28.21 1gk1 h TRP 93 CO 0.06 0.59 0.28 -0.92 -3.56 0.00 0.00 178.44 174.89 1gk1 h TYR 94 N 1.14 0.86 0.00 0.49 3.20 -0.97 -2.03 116.97 119.66 1gk1 h TYR 94 Ca 0.44 -0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.26 1gk1 h TYR 94 Cb 0.23 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.23 1gk1 h TYR 94 CO -0.00 0.66 -0.05 0.00 -1.64 0.00 0.00 178.16 177.12 1gk1 h ALA 95 N 1.11 1.08 -0.38 1.82 0.00 -0.51 -2.74 119.26 119.64 1gk1 h ALA 95 Ca 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1gk1 h ALA 95 Cb 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1gk1 h ALA 95 CO -0.02 0.07 0.00 1.04 0.00 0.00 0.00 179.25 180.33 1gk1 n GLN 96 N -3.27 2.25 -2.18 0.00 6.02 -0.49 -4.95 117.38 114.76 1gk1 n GLN 96 Ca -0.01 -1.90 -0.34 0.00 -0.01 0.00 0.00 57.00 54.74 1gk1 n GLN 96 Cb 0.24 -1.46 0.01 0.00 1.02 0.00 0.00 30.24 30.04 1gk1 n GLN 96 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1gk1 s GLN 97 N -1.51 3.32 0.55 -1.09 -1.52 -1.04 -4.99 119.66 113.38 1gk1 s GLN 97 Ca 0.37 1.46 -0.20 0.00 -1.95 0.00 0.00 55.36 55.03 1gk1 s GLN 97 Cb 0.21 -2.01 -0.05 0.00 -0.22 0.00 0.00 33.01 30.93 1gk1 s GLN 97 CO 0.29 -0.85 1.18 -1.54 -0.25 0.00 0.00 175.29 174.12 1gk1 s SER 98 N -2.13 5.55 0.21 5.90 1.04 -1.26 -4.78 113.70 118.23 1gk1 s SER 98 Ca 0.69 2.33 -0.11 0.00 0.48 0.00 0.00 55.95 59.34 1gk1 s SER 98 Cb -0.21 -2.60 0.28 0.00 0.10 0.00 0.00 66.02 63.60 1gk1 s SER 98 CO 0.30 -1.34 1.67 -0.65 0.98 0.00 0.00 173.24 174.20 1gk1 h PRO 99 N 1.23 0.13 -0.59 4.02 0.11 -1.98 0.33 132.00 135.25 1gk1 h PRO 99 Ca -0.50 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.50 1gk1 h PRO 99 Cb 1.28 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 1gk1 h PRO 99 CO 0.57 0.09 -0.01 -0.44 -0.21 0.00 0.00 178.00 177.99 1gk1 h ASP 100 N 0.14 1.03 0.21 -2.05 3.32 -2.01 -2.68 116.42 114.38 1gk1 h ASP 100 Ca 0.31 -0.31 -0.19 0.00 0.02 0.00 0.00 57.03 56.86 1gk1 h ASP 100 Cb 0.50 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 1gk1 h ASP 100 CO -0.50 1.09 -0.76 0.15 -1.72 0.00 0.00 179.24 177.50 1gk1 h PHE 101 N 0.94 0.63 -0.65 4.55 3.57 -1.81 -3.00 116.94 121.17 1gk1 h PHE 101 Ca 0.17 -0.29 0.02 0.00 3.53 0.00 0.00 57.97 61.40 1gk1 h PHE 101 Cb 0.57 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 1gk1 h PHE 101 CO 0.04 1.06 0.43 -0.09 -2.23 0.00 0.00 178.31 177.52 1gk1 h ARG 102 N 0.31 0.80 -0.63 1.11 2.43 -0.88 -0.33 114.38 117.18 1gk1 h ARG 102 Ca -0.04 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1gk1 h ARG 102 Cb 1.35 -0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.69 1gk1 h ARG 102 CO 0.13 0.53 0.30 0.00 -1.51 0.00 0.00 179.97 179.42 1gk1 h ALA 103 N 1.61 1.33 -0.28 2.80 0.00 -1.34 -0.26 119.26 123.12 1gk1 h ALA 103 Ca 0.25 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1gk1 h ALA 103 Cb -0.01 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1gk1 h ALA 103 CO -0.06 0.52 -0.41 -0.91 0.00 0.00 0.00 179.25 178.38 1gk1 h ASN 104 N 0.90 0.72 -0.30 0.00 2.35 -1.01 -1.64 115.58 116.59 1gk1 h ASN 104 Ca 0.22 -0.33 -0.11 0.00 -0.55 0.00 0.00 56.30 55.54 1gk1 h ASN 104 Cb 0.10 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1gk1 h ASN 104 CO -0.03 1.04 -0.19 -0.07 -1.65 0.00 0.00 177.43 176.53 1gk1 h LEU 105 N 0.55 0.76 -0.36 1.61 3.38 -0.53 -1.73 115.31 119.00 1gk1 h LEU 105 Ca 0.04 -0.26 -0.11 0.00 0.09 0.00 0.00 57.88 57.65 1gk1 h LEU 105 Cb 0.94 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1gk1 h LEU 105 CO 0.09 0.94 -0.19 0.44 0.09 0.00 0.00 178.44 179.81 1gk1 h ASP 106 N 0.67 0.79 -0.81 -0.43 3.32 -0.93 -2.51 116.42 116.52 1gk1 h ASP 106 Ca 0.10 -0.41 -0.01 0.00 0.02 0.00 0.00 57.03 56.73 1gk1 h ASP 106 Cb 0.68 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 1gk1 h ASP 106 CO 0.05 1.03 0.48 0.00 -1.72 0.00 0.00 179.24 179.07 1gk1 h ALA 107 N 0.79 1.03 -0.01 3.45 0.00 -1.14 1.00 119.26 124.38 1gk1 h ALA 107 Ca 0.08 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1gk1 h ALA 107 Cb 0.73 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1gk1 h ALA 107 CO 0.06 0.51 -0.06 0.35 0.00 0.00 0.00 179.25 180.10 1gk1 h PHE 108 N 1.11 -0.16 -0.86 0.00 3.57 -1.21 0.22 116.94 119.62 1gk1 h PHE 108 Ca 0.29 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.80 1gk1 h PHE 108 Cb -0.02 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.75 1gk1 h PHE 108 CO -0.00 -0.10 0.55 0.00 -2.23 0.00 0.00 178.31 176.53 1gk1 h ALA 109 N 0.89 1.09 -0.41 2.41 0.00 -1.07 -1.55 119.26 120.62 1gk1 h ALA 109 Ca 0.03 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 1gk1 h ALA 109 Cb 0.14 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1gk1 h ALA 109 CO -0.07 0.51 0.16 0.00 0.00 0.00 0.00 179.25 179.84 1gk1 h ALA 110 N 1.30 1.51 -0.49 0.00 0.00 -0.29 -1.71 119.26 119.59 1gk1 h ALA 110 Ca 0.31 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1gk1 h ALA 110 Cb -0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1gk1 h ALA 110 CO -0.06 0.38 0.18 0.78 0.00 0.00 0.00 179.25 180.52 1gk1 h GLY 111 N 0.74 0.80 0.99 0.00 0.00 0.04 0.21 103.07 105.85 1gk1 h GLY 111 Ca 0.14 -0.45 -0.04 0.00 0.00 0.00 0.00 47.33 46.98 1gk1 h GLY 111 CO -0.01 0.42 0.19 -2.22 0.00 0.00 0.00 176.54 174.91 1gk1 h ILE 112 N 0.65 1.23 -0.46 2.60 2.04 -0.98 -1.81 117.51 120.79 1gk1 h ILE 112 Ca 0.16 -0.78 -0.05 0.00 1.00 0.00 0.00 64.86 65.20 1gk1 h ILE 112 Cb 0.22 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 36.97 1gk1 h ILE 112 CO -0.01 0.29 0.10 0.78 0.00 0.00 0.00 178.15 179.31 1gk1 h ASN 113 N 0.77 0.70 0.07 1.72 2.35 -1.10 -2.46 115.58 117.62 1gk1 h ASN 113 Ca 0.18 -0.24 0.02 0.00 -0.55 0.00 0.00 56.30 55.71 1gk1 h ASN 113 Cb 0.26 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.42 1gk1 h ASN 113 CO -0.01 0.76 -0.21 0.00 -1.65 0.00 0.00 177.43 176.32 1gk1 h ALA 114 N 0.97 -0.32 -0.05 -0.83 0.00 -0.75 0.09 119.26 118.37 1gk1 h ALA 114 Ca 0.14 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1gk1 h ALA 114 Cb 0.34 0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1gk1 h ALA 114 CO 0.00 -0.72 -0.17 -0.92 0.00 0.00 0.00 179.25 177.44 1gk1 h TYR 115 N -0.37 -0.43 -0.87 0.00 3.20 -1.28 0.46 116.97 117.68 1gk1 h TYR 115 Ca 0.04 0.02 0.13 0.00 3.14 0.00 0.00 58.73 62.06 1gk1 h TYR 115 Cb 0.41 0.20 -0.07 0.00 1.54 0.00 0.00 36.73 38.82 1gk1 h TYR 115 CO -0.22 -0.24 0.56 0.00 -1.64 0.00 0.00 178.16 176.62 1gk1 h ALA 116 N 0.72 1.82 -0.03 1.82 0.00 -1.14 0.17 119.26 122.61 1gk1 h ALA 116 Ca 0.07 0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.74 1gk1 h ALA 116 Cb 0.34 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.02 1gk1 h ALA 116 CO -0.20 -0.04 -0.98 0.37 0.00 0.00 0.00 179.25 178.40 1gk1 h GLN 117 N 0.70 0.70 -0.17 0.00 4.15 -0.20 -2.32 115.11 117.97 1gk1 h GLN 117 Ca 0.43 -0.71 -0.13 0.00 0.77 0.00 0.00 58.65 59.02 1gk1 h GLN 117 Cb 0.66 0.19 -0.01 0.00 0.21 0.00 0.00 27.48 28.53 1gk1 h GLN 117 CO -0.19 1.29 -0.45 1.96 -1.93 0.00 0.00 178.83 179.51 1gk1 h GLN 118 N 0.41 0.41 -2.20 1.69 7.50 -0.06 -3.34 115.11 119.52 1gk1 h GLN 118 Ca -0.11 -0.22 -0.57 0.00 0.50 0.00 0.00 58.65 58.26 1gk1 h GLN 118 Cb 1.63 0.01 -0.41 0.00 0.05 0.00 0.00 27.48 28.75 1gk1 h GLN 118 CO 0.19 0.78 -0.77 0.09 -1.50 0.00 0.00 178.83 177.62 1gk1 n ASN 119 N -4.00 3.40 -0.21 1.46 3.02 0.52 -4.94 115.26 114.52 1gk1 n ASN 119 Ca -0.02 -3.46 0.17 0.00 -0.03 0.00 0.00 54.58 51.24 1gk1 n ASN 119 Cb 0.53 -0.59 0.50 0.00 -0.61 0.00 0.00 39.78 39.60 1gk1 n ASN 119 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1gk1 h PRO 120 N 3.21 0.42 0.00 3.52 0.13 -1.54 -0.95 132.00 136.78 1gk1 h PRO 120 Ca 0.13 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 1gk1 h PRO 120 Cb 0.64 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.68 1gk1 h PRO 120 CO 0.74 0.27 0.00 -3.47 -0.23 0.00 0.00 178.00 175.31 1gk1 n ASP 121 N -4.50 0.00 0.06 1.44 2.03 -1.26 -2.88 116.55 111.44 1gk1 n ASP 121 Ca 0.17 -0.18 0.12 0.00 0.52 0.00 0.00 54.79 55.42 1gk1 n ASP 121 Cb 0.60 -0.24 0.08 0.00 -0.72 0.00 0.00 41.12 40.84 1gk1 n ASP 121 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1gk1 n ASP 122 N -1.24 0.69 -4.71 1.67 8.00 -0.36 -4.83 116.55 115.77 1gk1 n ASP 122 Ca 0.13 0.06 -0.38 0.00 0.71 0.00 0.00 54.79 55.32 1gk1 n ASP 122 Cb 0.18 0.46 -0.06 0.00 -0.02 0.00 0.00 41.12 41.68 1gk1 n ASP 122 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1gk1 s ILE 123 N -3.23 5.20 0.30 0.53 -1.09 -1.14 -4.87 121.20 116.90 1gk1 s ILE 123 Ca 0.04 0.87 -0.30 0.00 -2.23 0.00 0.00 60.65 59.03 1gk1 s ILE 123 Cb 0.13 -3.78 -0.12 0.00 -1.58 0.00 0.00 42.46 37.11 1gk1 s ILE 123 CO 0.76 0.31 1.60 -0.24 -1.23 0.00 0.00 174.94 176.15 1gk1 n SER 124 N 3.84 3.89 -0.21 3.58 2.88 -1.26 -4.88 113.62 121.46 1gk1 n SER 124 Ca -0.08 1.15 -0.01 0.00 -1.33 0.00 0.00 58.87 58.60 1gk1 n SER 124 Cb 0.51 -1.60 0.05 0.00 -0.75 0.00 0.00 64.21 62.43 1gk1 n SER 124 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 1gk1 h PRO 125 N 4.78 -0.04 0.00 -1.46 0.11 -1.96 -1.75 132.00 131.68 1gk1 h PRO 125 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1gk1 h PRO 125 Cb 1.22 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.34 1gk1 h PRO 125 CO 0.79 -0.02 0.00 -0.85 -0.21 0.00 0.00 178.00 177.71 1gk1 n GLU 126 N -5.44 0.07 0.00 1.05 0.28 -1.26 -2.22 120.64 113.12 1gk1 n GLU 126 Ca 0.07 0.45 0.06 0.00 -0.16 0.00 0.00 57.16 57.58 1gk1 n GLU 126 Cb 0.34 -1.68 -0.01 0.00 1.43 0.00 0.00 31.44 31.52 1gk1 n GLU 126 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 1gk1 n VAL 127 N -1.82 0.00 0.14 3.84 3.14 -0.68 -4.55 118.33 118.40 1gk1 n VAL 127 Ca 0.01 -0.36 0.03 0.00 -2.96 0.00 0.00 64.34 61.06 1gk1 n VAL 127 Cb 0.10 1.13 0.41 0.00 -1.06 0.00 0.00 33.84 34.42 1gk1 n VAL 127 CO 0.00 0.00 0.00 0.03 -6.46 0.00 0.00 176.83 170.40 1gk1 h ARG 128 N 1.27 0.18 0.00 1.45 3.08 -1.24 -2.73 114.38 116.39 1gk1 h ARG 128 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1gk1 h ARG 128 Cb 0.41 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1gk1 h ARG 128 CO 0.00 0.34 0.04 -0.56 -1.07 0.00 0.00 179.97 178.72 1gk1 h GLN 129 N 0.17 0.00 -0.02 0.04 3.07 -1.80 -1.72 115.11 114.86 1gk1 h GLN 129 Ca 0.03 0.00 -0.18 0.00 0.09 0.00 0.00 58.65 58.60 1gk1 h GLN 129 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.93 1gk1 h GLN 129 CO 0.02 0.00 -0.78 0.28 0.09 0.00 0.00 178.83 178.44 1gk1 h VAL 130 N 0.00 1.47 -4.00 1.86 2.07 -1.82 -3.45 116.25 112.38 1gk1 h VAL 130 Ca 0.00 -2.44 -0.53 0.00 0.82 0.00 0.00 66.70 64.55 1gk1 h VAL 130 Cb 0.08 2.33 0.10 0.00 -1.52 0.00 0.00 31.29 32.28 1gk1 h VAL 130 CO 0.00 0.71 0.59 -0.76 0.02 0.00 0.00 177.57 178.13 1gk1 s LEU 131 N -7.54 4.01 0.37 2.57 2.01 -0.65 -4.28 118.68 115.17 1gk1 s LEU 131 Ca -0.03 2.64 -0.08 0.00 0.01 0.00 0.00 54.13 56.68 1gk1 s LEU 131 Cb 0.11 -4.13 -0.06 0.00 0.01 0.00 0.00 46.19 42.12 1gk1 s LEU 131 CO 0.81 -1.18 0.70 -2.16 1.01 0.00 0.00 176.35 175.53 1gk1 s PRO 132 N -2.63 3.71 0.42 1.29 0.04 -1.26 -5.09 135.00 131.47 1gk1 s PRO 132 Ca 0.65 0.28 0.04 0.00 0.04 0.00 0.00 61.00 62.01 1gk1 s PRO 132 Cb -0.37 -2.48 0.00 0.00 0.04 0.00 0.00 34.50 31.69 1gk1 s PRO 132 CO 0.46 0.04 0.60 0.14 0.04 0.00 0.00 177.00 178.27 1gk1 s VAL 133 N -2.30 3.64 0.30 -0.36 -7.23 -1.26 -5.12 120.40 108.07 1gk1 s VAL 133 Ca 0.48 -0.79 0.04 0.00 -1.81 0.00 0.00 61.98 59.91 1gk1 s VAL 133 Cb -0.10 -3.30 -0.03 0.00 0.56 0.00 0.00 36.38 33.51 1gk1 s VAL 133 CO 0.32 -0.16 0.26 -0.94 -0.31 0.00 0.00 175.10 174.27 1gk1 s SER 134 N -4.26 1.22 0.46 4.85 1.04 -1.26 -4.81 113.70 110.94 1gk1 s SER 134 Ca 0.50 -1.64 0.14 0.00 0.48 0.00 0.00 55.95 55.43 1gk1 s SER 134 Cb -0.10 0.52 1.04 0.00 0.10 0.00 0.00 66.02 67.59 1gk1 s SER 134 CO 0.35 -1.03 2.03 1.23 0.98 0.00 0.00 173.24 176.80 1gk1 h GLY 135 N 2.26 0.05 1.22 7.32 0.00 -1.88 -2.02 103.07 110.01 1gk1 h GLY 135 Ca -0.28 -0.02 -0.10 0.00 0.00 0.00 0.00 47.33 46.92 1gk1 h GLY 135 CO 0.41 0.02 -0.09 0.00 0.00 0.00 0.00 176.54 176.87 1gk1 h ALA 136 N 1.85 0.88 -0.80 3.60 0.00 -1.93 -2.10 119.26 120.76 1gk1 h ALA 136 Ca 0.01 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1gk1 h ALA 136 Cb 0.23 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 1gk1 h ALA 136 CO 0.02 0.64 0.53 -0.44 0.00 0.00 0.00 179.25 180.00 1gk1 h ASP 137 N 0.83 0.92 -0.35 0.00 3.32 -1.76 0.62 116.42 120.00 1gk1 h ASP 137 Ca 0.14 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 1gk1 h ASP 137 Cb 0.62 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.93 1gk1 h ASP 137 CO 0.04 0.66 0.08 0.58 -1.72 0.00 0.00 179.24 178.88 1gk1 h VAL 138 N 1.08 1.23 -0.64 -1.35 2.07 -1.25 -1.49 116.25 115.90 1gk1 h VAL 138 Ca 0.30 -0.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.98 1gk1 h VAL 138 Cb -0.12 1.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 1gk1 h VAL 138 CO -0.06 0.26 0.16 0.58 0.02 0.00 0.00 177.57 178.52 1gk1 h VAL 139 N 0.41 1.26 -0.37 2.57 2.07 -0.84 -2.44 116.25 118.91 1gk1 h VAL 139 Ca 0.11 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 1gk1 h VAL 139 Cb 0.32 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1gk1 h VAL 139 CO 0.00 0.35 0.22 0.00 0.02 0.00 0.00 177.57 178.17 1gk1 h ALA 140 N 1.06 0.47 -0.56 1.67 0.00 -0.73 -0.54 119.26 120.63 1gk1 h ALA 140 Ca 0.20 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1gk1 h ALA 140 Cb 0.36 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1gk1 h ALA 140 CO 0.00 -0.03 0.22 1.25 0.00 0.00 0.00 179.25 180.69 1gk1 h HIS 141 N 0.48 0.85 -0.77 0.00 6.17 -1.17 0.37 115.15 121.09 1gk1 h HIS 141 Ca 0.13 -0.07 -0.04 0.00 0.71 0.00 0.00 60.37 61.11 1gk1 h HIS 141 Cb 0.01 -0.25 -0.04 0.00 2.52 0.00 0.00 27.41 29.65 1gk1 h HIS 141 CO -0.04 0.70 0.34 0.00 0.71 0.00 0.00 177.93 179.64 1gk1 h ALA 142 N 1.07 1.14 -0.43 5.26 0.00 -1.21 -0.60 119.26 124.49 1gk1 h ALA 142 Ca 0.19 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 1gk1 h ALA 142 Cb 0.21 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1gk1 h ALA 142 CO -0.01 0.63 -0.04 1.25 0.00 0.00 0.00 179.25 181.08 1gk1 h HIS 143 N 1.11 0.86 -0.01 0.00 6.17 -0.74 -1.45 115.15 121.10 1gk1 h HIS 143 Ca 0.26 -0.16 -0.00 0.00 0.71 0.00 0.00 60.37 61.18 1gk1 h HIS 143 Cb 0.16 -0.22 -0.00 0.00 2.52 0.00 0.00 27.41 29.87 1gk1 h HIS 143 CO 0.02 0.86 0.00 -0.09 0.71 0.00 0.00 177.93 179.43 1gk1 h ARG 144 N 0.61 0.02 0.02 5.26 2.43 -0.63 -1.88 114.38 120.20 1gk1 h ARG 144 Ca 0.12 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1gk1 h ARG 144 Cb 0.54 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1gk1 h ARG 144 CO 0.03 0.16 -0.04 1.25 -1.51 0.00 0.00 179.97 179.86 1gk1 h LEU 145 N -0.13 -0.12 0.32 3.80 5.85 -1.05 -0.45 115.31 123.53 1gk1 h LEU 145 Ca 0.00 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1gk1 h LEU 145 Cb 0.15 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1gk1 h LEU 145 CO -0.00 -0.06 -0.15 0.24 -0.34 0.00 0.00 178.44 178.12 1gk1 h MET 146 N -0.08 -0.41 -0.03 1.25 2.86 -1.29 -1.62 114.93 115.61 1gk1 h MET 146 Ca 0.01 0.03 -0.25 0.00 -2.06 0.00 0.00 59.70 57.44 1gk1 h MET 146 Cb 0.10 0.09 0.01 0.00 0.06 0.00 0.00 31.60 31.86 1gk1 h MET 146 CO -0.03 -0.27 -0.96 -0.91 1.06 0.00 0.00 176.91 175.79 1gk1 h ASN 147 N -0.65 0.80 -0.49 1.22 2.35 -1.46 -1.85 115.58 115.50 1gk1 h ASN 147 Ca -0.04 -0.61 -0.24 0.00 -0.55 0.00 0.00 56.30 54.85 1gk1 h ASN 147 Cb 0.33 -0.24 -0.14 0.00 0.05 0.00 0.00 38.32 38.31 1gk1 h ASN 147 CO 0.07 1.41 0.09 0.49 -1.65 0.00 0.00 177.43 177.84 1gk1 n PHE 148 N -3.84 1.53 0.15 1.19 3.72 -0.21 -0.68 117.46 119.33 1gk1 n PHE 148 Ca -0.09 -1.60 0.00 0.00 -0.05 0.00 0.00 57.45 55.71 1gk1 n PHE 148 Cb 0.84 -0.58 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 1gk1 n PHE 148 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 1gk1 n LEU 149 N -1.07 -1.28 -0.08 4.37 4.77 -1.03 -4.49 117.00 118.19 1gk1 n LEU 149 Ca 0.38 0.55 -0.15 0.00 -0.03 0.00 0.00 56.01 56.76 1gk1 n LEU 149 Cb 1.17 1.35 -0.04 0.00 -2.33 0.00 0.00 43.42 43.57 1gk1 n LEU 149 CO 0.28 -0.45 0.45 1.88 -1.33 0.00 0.00 177.39 178.22 1gk1 h TYR 150 N 0.00 1.06 0.00 -1.77 0.05 -1.23 -3.35 116.97 111.73 1gk1 h TYR 150 Ca 0.00 -0.37 -0.11 0.00 0.05 0.00 0.00 58.73 58.30 1gk1 h TYR 150 Cb 0.00 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.52 1gk1 h TYR 150 CO 0.00 1.19 -1.07 0.28 -1.05 0.00 0.00 178.16 177.51 1gk1 n VAL 151 N -4.05 1.48 -3.97 -2.88 0.31 -0.70 -4.84 118.33 103.67 1gk1 n VAL 151 Ca -0.04 0.07 -0.32 0.00 -0.01 0.00 0.00 64.34 64.03 1gk1 n VAL 151 Cb 0.61 -2.24 -0.14 0.00 -0.91 0.00 0.00 33.84 31.15 1gk1 n VAL 151 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1gk1 s ALA 152 N -2.68 2.90 0.14 3.52 0.00 0.14 -5.01 121.76 120.77 1gk1 s ALA 152 Ca -0.25 -2.39 -0.10 0.00 0.00 0.00 0.00 51.96 49.23 1gk1 s ALA 152 Cb 0.05 -2.00 -0.06 0.00 0.00 0.00 0.00 23.12 21.11 1gk1 s ALA 152 CO 0.39 -1.62 0.47 -1.54 0.00 0.00 0.00 175.76 173.45 1gk1 s SER 153 N 1.12 6.66 0.38 0.00 1.04 -1.26 -2.99 113.70 118.66 1gk1 s SER 153 Ca 0.07 0.86 0.05 0.00 0.48 0.00 0.00 55.95 57.40 1gk1 s SER 153 Cb -0.20 -2.20 0.75 0.00 0.10 0.00 0.00 66.02 64.47 1gk1 s SER 153 CO -0.06 0.08 2.03 1.55 0.98 0.00 0.00 173.24 177.82 1gk1 h PRO 154 N 3.28 0.69 -0.91 4.02 0.13 -1.92 -2.73 132.00 134.56 1gk1 h PRO 154 Ca -0.48 -0.04 0.02 0.00 -0.87 0.00 0.00 66.00 64.63 1gk1 h PRO 154 Cb 1.18 -0.16 -0.05 0.00 0.13 0.00 0.00 31.00 32.11 1gk1 h PRO 154 CO 0.68 0.46 0.60 0.78 -0.23 0.00 0.00 178.00 180.29 1gk1 h GLY 155 N 0.71 1.30 1.55 1.56 0.00 -1.96 0.31 103.07 106.54 1gk1 h GLY 155 Ca 0.20 -0.47 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 1gk1 h GLY 155 CO -0.05 0.44 -0.26 -0.09 0.00 0.00 0.00 176.54 176.58 1gk1 h ARG 156 N 1.20 0.52 0.00 4.80 2.43 -1.87 -1.16 114.38 120.30 1gk1 h ARG 156 Ca 0.35 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 1gk1 h ARG 156 Cb -0.08 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.44 1gk1 h ARG 156 CO -0.09 0.74 -0.40 1.15 -1.51 0.00 0.00 179.97 179.86 1gk1 h THR 157 N 0.46 0.93 0.00 0.20 2.02 -1.39 -3.32 112.91 111.82 1gk1 h THR 157 Ca 0.06 -1.83 0.00 0.00 0.77 0.00 0.00 66.41 65.41 1gk1 h THR 157 Cb 0.70 1.89 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1gk1 h THR 157 CO 0.05 0.32 0.00 0.18 0.37 0.00 0.00 175.52 176.44 1gk1 n LEU 158 N -4.60 0.00 0.00 2.58 7.99 0.10 -4.83 117.00 118.24 1gk1 n LEU 158 Ca -0.13 0.46 0.00 0.00 -0.01 0.00 0.00 56.01 56.32 1gk1 n LEU 158 Cb 0.40 -0.46 0.00 0.00 -0.11 0.00 0.00 43.42 43.25 1gk1 n LEU 158 CO 0.19 -0.35 0.00 0.61 -1.51 0.00 0.00 177.39 176.34 1gk1 n GLY 159 N -0.76 0.32 0.00 -0.72 0.00 -0.50 -5.04 105.19 98.49 1gk1 n GLY 159 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 1gk1 n GLY 159 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50