#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gk2 h GLU 2 N 0.00 0.33 -0.19 4.33 4.39 -2.05 -2.07 114.58 119.32 3gk2 h GLU 2 Ca 0.00 -0.07 -0.05 0.00 0.34 0.00 0.00 59.36 59.58 3gk2 h GLU 2 Cb 0.00 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.60 3gk2 h GLU 2 CO 0.00 0.43 -0.07 1.25 -1.16 0.00 0.00 179.01 179.46 3gk2 h LEU 3 N 0.32 0.39 -1.03 1.33 6.46 -2.06 -1.71 115.31 119.01 3gk2 h LEU 3 Ca 0.07 -0.39 -0.07 0.00 -0.12 0.00 0.00 57.88 57.36 3gk2 h LEU 3 Cb 0.35 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 40.16 3gk2 h LEU 3 CO 0.02 0.69 -0.05 -0.33 -0.62 0.00 0.00 178.44 178.16 3gk2 h GLU 4 N 0.08 0.64 -0.08 1.25 5.08 -1.97 -1.34 114.58 118.24 3gk2 h GLU 4 Ca 0.04 -0.17 -0.07 0.00 -1.00 0.00 0.00 59.36 58.16 3gk2 h GLU 4 Cb 0.54 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3gk2 h GLU 4 CO 0.02 0.70 -0.27 0.87 -1.00 0.00 0.00 179.01 179.33 3gk2 h LYS 5 N 0.60 0.13 -0.13 2.33 1.57 -1.32 -2.58 116.57 117.17 3gk2 h LYS 5 Ca 0.12 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.66 3gk2 h LYS 5 Cb 0.45 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 3gk2 h LYS 5 CO 0.02 0.40 -0.70 0.00 -0.57 0.00 0.00 179.45 178.60 3gk2 h ALA 6 N 1.60 0.53 -0.47 3.86 0.00 -0.52 -2.27 119.26 121.98 3gk2 h ALA 6 Ca 0.02 -0.58 -0.04 0.00 0.00 0.00 0.00 54.91 54.31 3gk2 h ALA 6 Cb 0.55 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3gk2 h ALA 6 CO 0.04 0.72 0.14 0.28 0.00 0.00 0.00 179.25 180.43 3gk2 h VAL 7 N 0.40 1.23 0.00 0.00 2.07 -1.10 -2.45 116.25 116.40 3gk2 h VAL 7 Ca -0.03 -0.76 -0.13 0.00 0.82 0.00 0.00 66.70 66.60 3gk2 h VAL 7 Cb 1.29 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.87 3gk2 h VAL 7 CO 0.13 0.28 -0.60 -0.37 0.02 0.00 0.00 177.57 177.03 3gk2 h VAL 8 N 0.63 1.25 -0.53 2.57 -1.51 -1.51 -3.04 116.25 114.11 3gk2 h VAL 8 Ca 0.15 -2.19 -0.10 0.00 -1.23 0.00 0.00 66.70 63.33 3gk2 h VAL 8 Cb 0.28 2.24 -0.02 0.00 -2.13 0.00 0.00 31.29 31.66 3gk2 h VAL 8 CO -0.00 0.59 -0.08 0.00 -1.23 0.00 0.00 177.57 176.84 3gk2 h ALA 9 N 1.40 0.85 -0.56 5.19 0.00 -1.30 -1.47 119.26 123.37 3gk2 h ALA 9 Ca -0.01 -0.33 -0.05 0.00 0.00 0.00 0.00 54.91 54.52 3gk2 h ALA 9 Cb 1.19 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3gk2 h ALA 9 CO 0.08 0.66 0.17 -0.07 0.00 0.00 0.00 179.25 180.08 3gk2 h LEU 10 N 0.88 0.82 -0.34 0.00 3.38 -1.38 -1.73 115.31 116.94 3gk2 h LEU 10 Ca 0.14 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3gk2 h LEU 10 Cb 0.63 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3gk2 h LEU 10 CO 0.04 0.81 0.05 0.40 0.09 0.00 0.00 178.44 179.83 3gk2 h ILE 11 N 0.78 1.24 -0.24 1.22 2.04 -1.46 -2.84 117.51 118.25 3gk2 h ILE 11 Ca 0.18 -0.85 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 3gk2 h ILE 11 Cb 0.29 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3gk2 h ILE 11 CO -0.00 0.28 -0.07 -0.78 0.00 0.00 0.00 178.15 177.58 3gk2 h ASP 12 N 0.39 0.47 -0.36 1.72 3.58 -1.18 -2.77 116.42 118.27 3gk2 h ASP 12 Ca 0.10 -0.38 -0.09 0.00 0.42 0.00 0.00 57.03 57.08 3gk2 h ASP 12 Cb 0.37 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.27 3gk2 h ASP 12 CO 0.01 0.74 -0.11 0.58 -2.88 0.00 0.00 179.24 177.58 3gk2 h VAL 13 N 0.20 1.26 -0.29 2.25 2.07 -1.39 -0.52 116.25 119.82 3gk2 h VAL 13 Ca 0.06 -1.17 0.04 0.00 0.82 0.00 0.00 66.70 66.44 3gk2 h VAL 13 Cb 0.54 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 3gk2 h VAL 13 CO 0.03 0.40 0.08 0.15 0.02 0.00 0.00 177.57 178.25 3gk2 h PHE 14 N 0.73 0.13 0.00 1.57 3.57 -1.48 -2.97 116.94 118.50 3gk2 h PHE 14 Ca 0.12 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.52 3gk2 h PHE 14 Cb 0.59 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 3gk2 h PHE 14 CO 0.03 0.05 -0.55 0.45 -2.23 0.00 0.00 178.31 176.06 3gk2 h HIS 15 N 0.19 0.00 -0.74 0.41 3.86 -1.19 0.59 115.15 118.28 3gk2 h HIS 15 Ca 0.13 0.00 0.14 0.00 -1.16 0.00 0.00 60.37 59.48 3gk2 h HIS 15 Cb 0.12 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.54 3gk2 h HIS 15 CO -0.15 0.55 0.49 1.96 0.86 0.00 0.00 177.93 181.64 3gk2 h GLN 16 N 0.00 0.44 0.00 2.45 4.20 -0.93 -2.95 115.11 118.32 3gk2 h GLN 16 Ca -0.01 -0.03 -0.29 0.00 0.06 0.00 0.00 58.65 58.39 3gk2 h GLN 16 Cb 1.05 -0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.68 3gk2 h GLN 16 CO 0.07 0.29 -2.10 0.66 -0.67 0.00 0.00 178.83 177.09 3gk2 n TYR 17 N -4.48 0.00 0.02 2.96 4.02 -1.09 -4.56 117.16 114.03 3gk2 n TYR 17 Ca 0.14 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 58.04 3gk2 n TYR 17 Cb 0.48 -0.74 0.35 0.00 -0.02 0.00 0.00 39.34 39.41 3gk2 n TYR 17 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 3gk2 h SER 18 N -0.02 0.45 -0.18 7.72 4.64 -0.95 -2.89 113.55 122.31 3gk2 h SER 18 Ca -0.43 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3gk2 h SER 18 Cb 1.66 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 63.63 3gk2 h SER 18 CO -0.07 0.47 0.00 0.61 -0.87 0.00 0.00 176.83 176.96 3gk2 n GLY 19 N -1.07 -0.06 0.06 -0.77 0.00 -1.11 -4.12 105.19 98.12 3gk2 n GLY 19 Ca 0.02 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 3gk2 n GLY 19 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gk2 h ARG 20 N 1.27 0.01 -3.88 1.61 3.08 -1.75 -3.47 114.38 111.25 3gk2 h ARG 20 Ca 0.00 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 59.89 3gk2 h ARG 20 Cb 0.29 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.14 3gk2 h ARG 20 CO 0.00 0.58 -0.62 -1.21 -1.07 0.00 0.00 179.97 177.65 3gk2 s GLU 21 N -3.92 0.43 6.73 0.04 2.02 -1.26 -5.10 118.70 117.64 3gk2 s GLU 21 Ca -0.16 -0.66 0.00 0.00 0.02 0.00 0.00 54.97 54.17 3gk2 s GLU 21 Cb 0.01 0.16 0.00 0.00 0.10 0.00 0.00 34.13 34.40 3gk2 s GLU 21 CO 0.68 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 176.28 3gk2 n GLY 22 N 1.25 3.32 3.68 -1.39 0.00 -1.26 -4.52 105.19 106.28 3gk2 n GLY 22 Ca -0.22 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.21 3gk2 n GLY 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gk2 s ASP 23 N -4.00 6.46 0.00 1.61 -1.08 -1.26 -4.88 116.67 113.52 3gk2 s ASP 23 Ca 0.00 2.70 0.30 0.00 -0.52 0.00 0.00 52.55 55.03 3gk2 s ASP 23 Cb 0.00 -2.56 1.51 0.00 -1.46 0.00 0.00 42.92 40.41 3gk2 s ASP 23 CO 0.00 -1.00 2.03 0.29 0.52 0.00 0.00 175.17 177.01 3gk2 n LYS 24 N 6.08 0.56 -0.10 4.34 5.02 -1.26 -3.23 118.16 129.57 3gk2 n LYS 24 Ca 0.18 -0.05 0.04 0.00 -2.02 0.00 0.00 58.31 56.45 3gk2 n LYS 24 Cb 0.39 -1.50 0.09 0.00 -0.02 0.00 0.00 35.03 33.99 3gk2 n LYS 24 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3gk2 n HIS 25 N -1.17 0.27 -4.08 2.13 8.25 -1.26 -3.43 115.22 115.92 3gk2 n HIS 25 Ca 0.16 -0.43 -0.13 0.00 -0.26 0.00 0.00 57.72 57.06 3gk2 n HIS 25 Cb 0.23 -0.03 -0.11 0.00 1.12 0.00 0.00 29.99 31.20 3gk2 n HIS 25 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 3gk2 s LYS 26 N -0.95 0.57 -0.27 -0.41 1.02 -1.20 -4.19 119.74 114.32 3gk2 s LYS 26 Ca 0.14 -0.84 -0.14 0.00 0.02 0.00 0.00 55.97 55.15 3gk2 s LYS 26 Cb 0.08 -0.29 -0.04 0.00 -0.52 0.00 0.00 37.83 37.06 3gk2 s LYS 26 CO 0.10 0.04 0.35 -0.51 -0.92 0.00 0.00 175.35 174.42 3gk2 s LEU 27 N -1.77 4.04 0.82 3.17 1.43 0.10 -4.57 118.68 121.91 3gk2 s LEU 27 Ca -0.07 0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 53.16 3gk2 s LEU 27 Cb -0.08 -2.38 0.12 0.00 0.03 0.00 0.00 46.19 43.88 3gk2 s LEU 27 CO -0.00 -0.17 1.17 -1.59 0.23 0.00 0.00 176.35 175.98 3gk2 s LYS 28 N 2.03 1.56 0.19 1.70 -2.85 -1.26 -0.60 119.74 120.50 3gk2 s LYS 28 Ca 0.14 -0.28 -0.16 0.00 -1.00 0.00 0.00 55.97 54.67 3gk2 s LYS 28 Cb -0.16 -2.01 0.16 0.00 -2.06 0.00 0.00 37.83 33.76 3gk2 s LYS 28 CO 0.10 -1.76 1.63 0.87 0.10 0.00 0.00 175.35 176.30 3gk2 h LYS 29 N -1.08 -0.04 -0.08 1.78 1.57 -1.96 -0.55 116.57 116.21 3gk2 h LYS 29 Ca -0.44 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.24 3gk2 h LYS 29 Cb 1.29 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.60 3gk2 h LYS 29 CO 0.53 -0.03 -0.40 0.66 -0.57 0.00 0.00 179.45 179.63 3gk2 h SER 30 N -0.05 0.18 -0.09 0.86 4.64 -1.98 -1.72 113.55 115.40 3gk2 h SER 30 Ca 0.25 -0.07 -0.23 0.00 -0.47 0.00 0.00 61.79 61.26 3gk2 h SER 30 Cb 0.42 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.48 3gk2 h SER 30 CO -0.55 0.57 -0.83 -0.33 -0.87 0.00 0.00 176.83 174.81 3gk2 h GLU 31 N 0.15 0.73 -0.59 4.77 5.08 -1.73 -2.73 114.58 120.25 3gk2 h GLU 31 Ca 0.01 -0.66 -0.01 0.00 -1.00 0.00 0.00 59.36 57.70 3gk2 h GLU 31 Cb 0.78 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 3gk2 h GLU 31 CO 0.06 1.26 0.33 1.25 -1.00 0.00 0.00 179.01 180.91 3gk2 h LEU 32 N 0.43 0.73 -0.08 1.33 6.46 -1.02 -2.29 115.31 120.87 3gk2 h LEU 32 Ca -0.08 -0.09 0.01 0.00 -0.12 0.00 0.00 57.88 57.61 3gk2 h LEU 32 Cb 1.48 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 41.21 3gk2 h LEU 32 CO 0.17 0.61 -0.00 0.50 -0.62 0.00 0.00 178.44 179.10 3gk2 h LYS 33 N 0.80 0.03 -0.52 1.25 3.64 -1.33 -1.87 116.57 118.57 3gk2 h LYS 33 Ca 0.21 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.54 3gk2 h LYS 33 Cb 0.04 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 3gk2 h LYS 33 CO -0.03 0.02 0.12 0.93 -2.27 0.00 0.00 179.45 178.21 3gk2 h GLU 34 N 0.03 0.80 -0.23 1.90 4.39 -1.43 0.22 114.58 120.26 3gk2 h GLU 34 Ca 0.04 -0.16 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 3gk2 h GLU 34 Cb 0.04 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.56 3gk2 h GLU 34 CO -0.07 0.73 0.13 1.25 -1.16 0.00 0.00 179.01 179.90 3gk2 h LEU 35 N 0.77 0.29 -0.25 1.33 6.46 -1.20 0.16 115.31 122.87 3gk2 h LEU 35 Ca 0.17 -0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.84 3gk2 h LEU 35 Cb 0.30 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 3gk2 h LEU 35 CO -0.00 0.27 0.09 0.40 -0.62 0.00 0.00 178.44 178.59 3gk2 h ILE 36 N 0.28 1.18 -0.28 4.05 2.04 -1.00 -0.09 117.51 123.68 3gk2 h ILE 36 Ca 0.08 -0.55 -0.11 0.00 1.00 0.00 0.00 64.86 65.28 3gk2 h ILE 36 Cb 0.05 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 3gk2 h ILE 36 CO -0.01 0.18 -0.29 0.78 0.00 0.00 0.00 178.15 178.81 3gk2 h ASN 37 N 0.24 0.59 0.28 1.72 -0.26 -0.87 -1.96 115.58 115.32 3gk2 h ASN 37 Ca 0.08 -0.22 -0.33 0.00 -0.56 0.00 0.00 56.30 55.27 3gk2 h ASN 37 Cb 0.20 -0.16 -0.05 0.00 -1.06 0.00 0.00 38.32 37.25 3gk2 h ASN 37 CO -0.01 0.85 -1.95 0.59 -1.06 0.00 0.00 177.43 175.85 3gk2 n ASN 38 N -4.09 1.14 -0.00 5.81 3.02 0.04 -4.36 115.26 116.81 3gk2 n ASN 38 Ca -0.01 0.25 0.04 0.00 -0.03 0.00 0.00 54.58 54.84 3gk2 n ASN 38 Cb 0.44 -0.12 -0.06 0.00 -0.61 0.00 0.00 39.78 39.43 3gk2 n ASN 38 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3gk2 n GLU 39 N -3.12 3.06 -1.02 3.52 -0.58 -0.05 -4.57 120.64 117.88 3gk2 n GLU 39 Ca -0.26 -0.02 0.02 0.00 -0.42 0.00 0.00 57.16 56.48 3gk2 n GLU 39 Cb 1.06 -1.00 0.14 0.00 -0.57 0.00 0.00 31.44 31.08 3gk2 n GLU 39 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3gk2 n LEU 40 N -1.37 2.56 0.17 -4.62 4.77 -0.74 -4.85 117.00 112.93 3gk2 n LEU 40 Ca 0.01 -3.58 0.13 0.00 -0.03 0.00 0.00 56.01 52.54 3gk2 n LEU 40 Cb 0.17 -0.37 0.59 0.00 -2.33 0.00 0.00 43.42 41.48 3gk2 n LEU 40 CO 0.19 1.29 0.89 0.77 -1.33 0.00 0.00 177.39 179.20 3gk2 h SER 41 N 1.18 0.00 0.33 -1.43 4.64 -1.76 -0.33 113.55 116.19 3gk2 h SER 41 Ca -0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3gk2 h SER 41 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.34 3gk2 h SER 41 CO 0.11 0.00 -1.68 1.41 -0.87 0.00 0.00 176.83 175.80 3gk2 n HIS 42 N -2.43 0.33 -0.10 4.77 8.25 -1.26 -4.52 115.22 120.26 3gk2 n HIS 42 Ca 0.01 0.10 -0.10 0.00 -0.26 0.00 0.00 57.72 57.46 3gk2 n HIS 42 Cb 0.19 -0.67 -0.16 0.00 1.12 0.00 0.00 29.99 30.48 3gk2 n HIS 42 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 3gk2 n PHE 43 N -2.42 0.00 -4.23 4.41 3.72 -0.76 -5.00 117.46 113.18 3gk2 n PHE 43 Ca -0.03 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.16 3gk2 n PHE 43 Cb 0.58 -0.99 -0.12 0.00 -0.94 0.00 0.00 39.48 38.01 3gk2 n PHE 43 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3gk2 s LEU 44 N -5.52 2.29 0.39 4.37 1.43 -0.21 -5.13 118.68 116.30 3gk2 s LEU 44 Ca -0.11 -0.65 -0.27 0.00 -1.03 0.00 0.00 54.13 52.06 3gk2 s LEU 44 Cb 0.06 -0.69 -0.10 0.00 0.03 0.00 0.00 46.19 45.49 3gk2 s LEU 44 CO 0.81 -0.01 1.38 -1.61 0.23 0.00 0.00 176.35 177.14 3gk2 s GLU 45 N -1.84 4.04 0.23 1.70 2.02 -1.26 -4.52 118.70 119.07 3gk2 s GLU 45 Ca 0.02 2.34 -0.31 0.00 0.02 0.00 0.00 54.97 57.03 3gk2 s GLU 45 Cb -0.10 -2.87 -0.12 0.00 0.10 0.00 0.00 34.13 31.14 3gk2 s GLU 45 CO 0.03 -0.49 1.67 -2.00 0.02 0.00 0.00 175.26 174.49 3gk2 s GLU 46 N -2.13 4.13 -0.30 1.61 2.12 -1.26 -4.94 118.70 117.93 3gk2 s GLU 46 Ca 0.55 2.57 -0.26 0.00 0.36 0.00 0.00 54.97 58.19 3gk2 s GLU 46 Cb -0.42 -3.07 0.01 0.00 0.26 0.00 0.00 34.13 30.91 3gk2 s GLU 46 CO 0.55 -0.70 0.92 0.42 -0.54 0.00 0.00 175.26 175.91 3gk2 s ILE 47 N 0.85 4.69 0.00 -3.70 1.01 -1.26 -4.88 121.20 117.91 3gk2 s ILE 47 Ca 0.71 1.49 0.00 0.00 0.00 0.00 0.00 60.65 62.85 3gk2 s ILE 47 Cb -0.49 -4.25 0.00 0.00 0.01 0.00 0.00 42.46 37.73 3gk2 s ILE 47 CO 0.36 -0.31 0.05 0.29 0.00 0.00 0.00 174.94 175.34 3gk2 n LYS 48 N 6.43 5.30 -4.77 2.79 5.02 -1.26 -5.03 118.16 126.64 3gk2 n LYS 48 Ca 0.08 -0.05 -0.31 0.00 -2.02 0.00 0.00 58.31 56.01 3gk2 n LYS 48 Cb 0.47 -0.50 -0.13 0.00 -0.02 0.00 0.00 35.03 34.85 3gk2 n LYS 48 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3gk2 s GLU 49 N -0.77 2.02 0.32 1.97 0.41 -1.26 -5.04 118.70 116.36 3gk2 s GLU 49 Ca 0.00 -1.00 0.02 0.00 -0.41 0.00 0.00 54.97 53.58 3gk2 s GLU 49 Cb 0.00 -2.13 0.55 0.00 -1.78 0.00 0.00 34.13 30.77 3gk2 s GLU 49 CO 0.00 0.54 1.91 0.37 -0.49 0.00 0.00 175.26 177.59 3gk2 h GLN 50 N 4.70 0.73 0.00 1.61 5.75 -2.00 -2.69 115.11 123.22 3gk2 h GLN 50 Ca -0.47 -0.11 -0.01 0.00 -0.15 0.00 0.00 58.65 57.91 3gk2 h GLN 50 Cb 1.15 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 29.57 3gk2 h GLN 50 CO 0.47 0.61 -0.05 1.05 -2.65 0.00 0.00 178.83 178.26 3gk2 h GLU 51 N 0.73 0.00 0.02 1.69 4.11 -1.99 -0.99 114.58 118.15 3gk2 h GLU 51 Ca 0.17 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.34 3gk2 h GLU 51 Cb 0.16 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.43 3gk2 h GLU 51 CO -0.02 0.05 -1.07 0.28 0.07 0.00 0.00 179.01 178.33 3gk2 h VAL 52 N 0.00 1.30 -0.33 -1.06 2.07 -1.91 -1.93 116.25 114.40 3gk2 h VAL 52 Ca -0.00 -2.33 0.01 0.00 0.82 0.00 0.00 66.70 65.20 3gk2 h VAL 52 Cb 0.64 2.45 -0.02 0.00 -1.52 0.00 0.00 31.29 32.84 3gk2 h VAL 52 CO 0.01 0.71 0.20 0.58 0.02 0.00 0.00 177.57 179.09 3gk2 h VAL 53 N 0.34 1.06 -0.58 2.57 2.07 -1.26 -1.73 116.25 118.72 3gk2 h VAL 53 Ca -0.13 -0.14 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 3gk2 h VAL 53 Cb 1.72 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 3gk2 h VAL 53 CO 0.20 0.08 0.11 0.44 0.02 0.00 0.00 177.57 178.42 3gk2 h ASP 54 N 0.41 0.90 -0.41 0.57 3.32 -1.24 -2.58 116.42 117.40 3gk2 h ASP 54 Ca 0.12 -0.25 -0.14 0.00 0.02 0.00 0.00 57.03 56.78 3gk2 h ASP 54 Cb -0.02 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3gk2 h ASP 54 CO -0.04 0.92 -0.30 0.50 -1.72 0.00 0.00 179.24 178.60 3gk2 h LYS 55 N 0.85 0.93 -0.37 3.56 1.63 -1.27 -2.00 116.57 119.90 3gk2 h LYS 55 Ca 0.18 -0.45 -0.02 0.00 -0.85 0.00 0.00 60.65 59.50 3gk2 h LYS 55 Cb 0.39 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 3gk2 h LYS 55 CO 0.01 1.11 0.15 0.28 -3.45 0.00 0.00 179.45 177.55 3gk2 h VAL 56 N 0.76 1.19 -0.71 2.00 2.07 -1.29 -1.62 116.25 118.64 3gk2 h VAL 56 Ca 0.08 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 67.01 3gk2 h VAL 56 Cb 0.89 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3gk2 h VAL 56 CO 0.08 0.21 0.37 -0.03 0.02 0.00 0.00 177.57 178.22 3gk2 h MET 57 N 0.45 1.01 -0.84 1.57 1.85 -1.47 -1.67 114.93 115.83 3gk2 h MET 57 Ca 0.12 -0.13 0.05 0.00 -0.61 0.00 0.00 59.70 59.14 3gk2 h MET 57 Cb 0.18 -0.19 -0.06 0.00 0.43 0.00 0.00 31.60 31.96 3gk2 h MET 57 CO -0.01 0.77 0.52 1.49 -0.40 0.00 0.00 176.91 179.28 3gk2 h GLU 58 N 0.98 0.94 -0.47 0.39 4.81 -1.11 0.11 114.58 120.23 3gk2 h GLU 58 Ca 0.25 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.29 3gk2 h GLU 58 Cb 0.07 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 29.23 3gk2 h GLU 58 CO -0.04 0.62 -0.21 1.15 -0.73 0.00 0.00 179.01 179.80 3gk2 h THR 59 N 0.96 1.27 0.00 0.32 2.02 -1.01 -3.28 112.91 113.20 3gk2 h THR 59 Ca 0.36 -1.37 -0.14 0.00 0.77 0.00 0.00 66.41 66.03 3gk2 h THR 59 Cb 0.13 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.67 3gk2 h THR 59 CO -0.16 0.47 -0.88 -0.07 0.37 0.00 0.00 175.52 175.25 3gk2 h LEU 60 N 0.83 0.00 -8.08 2.58 3.38 -0.98 -3.42 115.31 109.62 3gk2 h LEU 60 Ca 0.11 0.00 -0.51 0.00 0.09 0.00 0.00 57.88 57.56 3gk2 h LEU 60 Cb 0.79 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.46 3gk2 h LEU 60 CO 0.07 0.58 1.41 -0.62 0.09 0.00 0.00 178.44 179.96 3gk2 s ASP 61 N -6.23 6.09 -0.02 -0.43 2.15 0.36 -4.83 116.67 113.76 3gk2 s ASP 61 Ca 0.01 -1.48 -0.24 0.00 0.43 0.00 0.00 52.55 51.28 3gk2 s ASP 61 Cb 0.08 -2.57 -0.20 0.00 -0.30 0.00 0.00 42.92 39.93 3gk2 s ASP 61 CO 0.78 -1.90 1.20 0.28 -0.17 0.00 0.00 175.17 175.35 3gk2 h SER 62 N 9.72 0.20 1.43 -0.34 0.02 -1.86 -3.27 113.55 119.44 3gk2 h SER 62 Ca 0.23 -0.59 0.00 0.00 -0.84 0.00 0.00 61.79 60.58 3gk2 h SER 62 Cb 0.97 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.46 3gk2 h SER 62 CO 1.36 0.76 -0.01 -0.90 -1.14 0.00 0.00 176.83 176.89 3gk2 n ASP 63 N -4.64 0.75 -0.98 3.07 5.68 -1.26 -4.96 116.55 114.21 3gk2 n ASP 63 Ca -0.08 0.56 -0.02 0.00 -0.50 0.00 0.00 54.79 54.75 3gk2 n ASP 63 Cb 0.38 -0.75 0.01 0.00 -1.14 0.00 0.00 41.12 39.61 3gk2 n ASP 63 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gk2 n GLY 64 N 1.32 0.63 0.83 6.12 0.00 -1.24 -4.98 105.19 107.89 3gk2 n GLY 64 Ca 0.06 -0.52 0.08 0.00 0.00 0.00 0.00 46.02 45.63 3gk2 n GLY 64 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3gk2 n ASP 65 N 0.18 3.06 0.00 1.61 5.75 -1.26 -4.98 116.55 120.91 3gk2 n ASP 65 Ca -0.01 -1.92 0.00 0.00 -0.01 0.00 0.00 54.79 52.85 3gk2 n ASP 65 Cb 0.51 -0.25 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 3gk2 n ASP 65 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gk2 n GLY 66 N 0.91 1.84 3.45 6.12 0.00 -1.26 -5.01 105.19 111.25 3gk2 n GLY 66 Ca 0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.95 3gk2 n GLY 66 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gk2 s GLU 67 N -0.47 1.64 -0.36 1.61 2.02 -1.26 -4.70 118.70 117.18 3gk2 s GLU 67 Ca 0.00 -1.89 -0.08 0.00 0.02 0.00 0.00 54.97 53.02 3gk2 s GLU 67 Cb 0.00 -0.97 0.04 0.00 0.10 0.00 0.00 34.13 33.30 3gk2 s GLU 67 CO 0.00 -0.13 0.15 0.00 0.02 0.00 0.00 175.26 175.30 3gk2 n ASP 69 N 4.87 0.27 -0.22 0.00 5.68 -1.26 0.03 116.55 125.92 3gk2 n ASP 69 Ca -0.12 -1.44 -0.09 0.00 -0.50 0.00 0.00 54.79 52.64 3gk2 n ASP 69 Cb 0.45 -0.65 0.03 0.00 -1.14 0.00 0.00 41.12 39.80 3gk2 n ASP 69 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 3gk2 h PHE 70 N -1.32 1.15 -0.61 2.11 3.57 -2.00 -0.24 116.94 119.61 3gk2 h PHE 70 Ca -0.29 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.03 3gk2 h PHE 70 Cb 0.83 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 3gk2 h PHE 70 CO 0.00 1.00 0.38 0.37 -2.23 0.00 0.00 178.31 177.83 3gk2 h GLN 71 N 0.97 0.82 -0.17 1.11 4.15 -1.96 -0.49 115.11 119.54 3gk2 h GLN 71 Ca 0.18 -0.06 -0.12 0.00 0.77 0.00 0.00 58.65 59.41 3gk2 h GLN 71 Cb 0.51 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.01 3gk2 h GLN 71 CO 0.02 0.57 -0.42 0.93 -1.93 0.00 0.00 178.83 178.00 3gk2 h GLU 72 N 0.82 0.40 -0.70 1.69 5.08 -1.84 -2.15 114.58 117.89 3gk2 h GLU 72 Ca 0.22 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 3gk2 h GLU 72 Cb -0.05 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 3gk2 h GLU 72 CO -0.04 0.75 0.23 0.35 -1.00 0.00 0.00 179.01 179.30 3gk2 h PHE 73 N 0.33 1.12 -0.52 4.33 3.57 -0.69 -1.54 116.94 123.55 3gk2 h PHE 73 Ca 0.03 -0.11 -0.05 0.00 3.53 0.00 0.00 57.97 61.37 3gk2 h PHE 73 Cb 0.88 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 3gk2 h PHE 73 CO 0.03 0.89 0.12 0.52 -2.23 0.00 0.00 178.31 177.63 3gk2 h MET 74 N 1.03 0.80 -0.29 1.11 2.86 -0.84 -0.55 114.93 119.04 3gk2 h MET 74 Ca 0.23 -0.16 -0.11 0.00 -2.06 0.00 0.00 59.70 57.60 3gk2 h MET 74 Cb 0.29 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 3gk2 h MET 74 CO -0.01 0.72 -0.27 0.00 1.06 0.00 0.00 176.91 178.42 3gk2 h ALA 75 N 1.36 0.99 -0.25 6.32 0.00 -1.16 -1.01 119.26 125.52 3gk2 h ALA 75 Ca 0.17 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3gk2 h ALA 75 Cb 0.30 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3gk2 h ALA 75 CO -0.00 0.60 0.06 0.35 0.00 0.00 0.00 179.25 180.26 3gk2 h PHE 76 N 0.50 0.41 -0.57 0.00 3.57 -0.81 -1.87 116.94 118.18 3gk2 h PHE 76 Ca 0.07 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.54 3gk2 h PHE 76 Cb 0.73 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.32 3gk2 h PHE 76 CO 0.03 0.48 0.36 0.28 -2.23 0.00 0.00 178.31 177.23 3gk2 h VAL 77 N 0.23 1.10 -0.93 1.41 2.07 -1.00 -2.30 116.25 116.83 3gk2 h VAL 77 Ca 0.08 -0.25 0.06 0.00 0.82 0.00 0.00 66.70 67.41 3gk2 h VAL 77 Cb 0.28 0.31 -0.06 0.00 -1.52 0.00 0.00 31.29 30.30 3gk2 h VAL 77 CO 0.00 0.13 0.61 0.00 0.02 0.00 0.00 177.57 178.33 3gk2 h ALA 78 N 1.23 1.48 -0.27 1.67 0.00 -1.06 -1.02 119.26 121.29 3gk2 h ALA 78 Ca 0.22 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 3gk2 h ALA 78 Cb -0.02 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3gk2 h ALA 78 CO -0.08 0.39 0.13 0.52 0.00 0.00 0.00 179.25 180.21 3gk2 h MET 79 N 1.08 0.39 -0.43 0.00 2.07 -0.82 -1.77 114.93 115.45 3gk2 h MET 79 Ca 0.40 -0.06 -0.08 0.00 -2.07 0.00 0.00 59.70 57.89 3gk2 h MET 79 Cb 0.17 -0.07 -0.01 0.00 -1.87 0.00 0.00 31.60 29.82 3gk2 h MET 79 CO -0.15 0.39 -0.05 0.82 1.07 0.00 0.00 176.91 178.99 3gk2 h ILE 80 N 0.30 1.27 -0.78 -1.22 2.04 -1.08 -1.28 117.51 116.76 3gk2 h ILE 80 Ca 0.09 -1.12 -0.05 0.00 1.00 0.00 0.00 64.86 64.79 3gk2 h ILE 80 Cb 0.13 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.30 3gk2 h ILE 80 CO -0.01 0.38 0.31 0.74 0.00 0.00 0.00 178.15 179.56 3gk2 h THR 81 N 0.62 1.26 -0.39 -0.27 2.02 -1.18 -0.86 112.91 114.11 3gk2 h THR 81 Ca 0.12 -0.82 -0.15 0.00 0.77 0.00 0.00 66.41 66.33 3gk2 h THR 81 Cb 0.56 0.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 3gk2 h THR 81 CO 0.03 0.34 -0.33 0.74 0.37 0.00 0.00 175.52 176.67 3gk2 h THR 82 N 1.13 1.27 -0.45 3.16 2.02 -1.21 -0.10 112.91 118.72 3gk2 h THR 82 Ca 0.26 -1.50 -0.08 0.00 0.77 0.00 0.00 66.41 65.86 3gk2 h THR 82 Cb 0.22 1.32 -0.02 0.00 -1.74 0.00 0.00 68.15 67.93 3gk2 h THR 82 CO -0.02 0.50 -0.05 0.00 0.37 0.00 0.00 175.52 176.32 3gk2 h ALA 83 N 0.88 1.06 -0.03 6.16 0.00 -0.98 -1.72 119.26 124.63 3gk2 h ALA 83 Ca 0.07 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 54.48 3gk2 h ALA 83 Cb 0.90 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.51 3gk2 h ALA 83 CO 0.08 0.58 -0.90 0.00 0.00 0.00 0.00 179.25 179.01 3gk2 h HIS 85 N 0.29 -0.15 0.00 0.00 6.17 -0.84 -3.00 115.15 117.62 3gk2 h HIS 85 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.01 3gk2 h HIS 85 Cb 1.53 0.06 0.00 0.00 2.52 0.00 0.00 27.41 31.52 3gk2 h HIS 85 CO 0.07 -0.10 0.00 0.93 0.71 0.00 0.00 177.93 179.54 3gk2 h GLU 86 N -0.12 0.00 0.00 5.26 5.08 -1.37 -2.51 114.58 120.92 3gk2 h GLU 86 Ca 0.02 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3gk2 h GLU 86 Cb 0.14 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 3gk2 h GLU 86 CO -0.04 0.00 -0.14 0.35 -1.00 0.00 0.00 179.01 178.18 3gk2 h PHE 87 N 0.00 0.00 -0.01 4.33 3.57 -1.36 -3.51 116.94 119.96 3gk2 h PHE 87 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3gk2 h PHE 87 Cb 0.54 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.28 3gk2 h PHE 87 CO 0.00 0.14 0.00 1.19 -2.23 0.00 0.00 178.31 177.41