#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvs s ALA 2 N 0.00 3.78 0.00 3.04 0.00 -1.26 -4.97 121.76 122.35 2kvs s ALA 2 Ca 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 51.96 48.66 2kvs s ALA 2 Cb 0.00 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.13 2kvs s ALA 2 CO 0.00 -2.17 0.00 0.41 0.00 0.00 0.00 175.76 174.00 2kvs n GLY 3 N 3.65 0.87 3.16 0.00 0.00 -1.26 -4.43 105.19 107.18 2kvs n GLY 3 Ca 0.10 0.46 -0.38 0.00 0.00 0.00 0.00 46.02 46.19 2kvs n GLY 3 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kvs s ASP 4 N -4.00 5.48 -0.10 1.61 -4.77 -1.26 -4.97 116.67 108.66 2kvs s ASP 4 Ca 0.00 -2.00 -0.25 0.00 -3.30 0.00 0.00 52.55 47.00 2kvs s ASP 4 Cb 0.00 -1.92 -0.22 0.00 -1.09 0.00 0.00 42.92 39.70 2kvs s ASP 4 CO 0.00 -0.61 0.85 1.55 0.70 0.00 0.00 175.17 177.66 2kvs h PRO 5 N 8.22 -0.03 -2.88 2.11 0.13 -1.91 -3.43 132.00 134.22 2kvs h PRO 5 Ca -0.16 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.36 2kvs h PRO 5 Cb 1.06 0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.79 2kvs h PRO 5 CO 0.78 0.70 -0.73 -1.64 -0.23 0.00 0.00 178.00 176.89 2kvs s MET 6 N -2.83 1.73 0.07 0.86 -1.94 -1.26 -4.36 119.30 111.57 2kvs s MET 6 Ca -0.16 -2.65 -0.24 0.00 -1.71 0.00 0.00 55.69 50.93 2kvs s MET 6 Cb -0.01 -2.61 -0.16 0.00 2.01 0.00 0.00 34.83 34.06 2kvs s MET 6 CO 0.61 -1.28 1.65 1.79 -0.01 0.00 0.00 175.02 177.79 2kvs h THR 7 N 4.72 1.03 -0.48 2.05 1.35 -1.91 -2.99 112.91 116.68 2kvs h THR 7 Ca 0.13 -0.19 0.10 0.00 -0.55 0.00 0.00 66.41 65.90 2kvs h THR 7 Cb 0.84 1.15 -0.08 0.00 -1.73 0.00 0.00 68.15 68.33 2kvs h THR 7 CO 0.56 0.05 -0.06 0.15 -0.25 0.00 0.00 175.52 175.98 2kvs h PHE 8 N -0.12 -0.14 -0.50 4.73 3.57 -1.96 -2.33 116.94 120.19 2kvs h PHE 8 Ca -0.00 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.59 2kvs h PHE 8 Cb 0.11 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 2kvs h PHE 8 CO -0.05 -0.16 0.21 -0.92 -2.23 0.00 0.00 178.31 175.17 2kvs h TYR 9 N 0.06 0.38 0.00 0.41 3.20 -1.96 0.25 116.97 119.31 2kvs h TYR 9 Ca 0.24 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 2kvs h TYR 9 Cb 0.36 -0.10 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 2kvs h TYR 9 CO -0.35 0.16 -0.07 -0.97 -1.64 0.00 0.00 178.16 175.28 2kvs h ASN 10 N 0.42 0.00 0.02 -2.11 -1.24 -1.29 -3.07 115.58 108.30 2kvs h ASN 10 Ca 0.23 0.00 -0.31 0.00 0.71 0.00 0.00 56.30 56.94 2kvs h ASN 10 Cb 0.21 0.00 -0.04 0.00 0.73 0.00 0.00 38.32 39.22 2kvs h ASN 10 CO -0.21 0.07 -1.69 0.33 -1.29 0.00 0.00 177.43 174.64 2kvs n PHE 11 N -3.36 0.80 -0.05 0.67 7.35 -0.51 -4.47 117.46 117.89 2kvs n PHE 11 Ca -0.01 0.30 0.05 0.00 -0.76 0.00 0.00 57.45 57.03 2kvs n PHE 11 Cb 0.23 -1.09 0.41 0.00 0.35 0.00 0.00 39.48 39.38 2kvs n PHE 11 CO 0.00 0.00 0.00 0.97 -0.76 0.00 0.00 176.76 176.97 2kvs h ILE 12 N -0.80 1.08 0.00 -2.13 6.09 -0.55 -0.61 117.51 120.59 2kvs h ILE 12 Ca -0.45 -0.21 0.00 0.00 -1.37 0.00 0.00 64.86 62.83 2kvs h ILE 12 Cb 1.51 0.42 0.00 0.00 0.47 0.00 0.00 36.82 39.21 2kvs h ILE 12 CO -0.21 0.11 0.02 0.24 -3.07 0.00 0.00 178.15 175.25 2kvs h MET 13 N 0.61 0.00 0.00 2.19 2.86 -1.76 -1.18 114.93 117.65 2kvs h MET 13 Ca 0.20 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.82 2kvs h MET 13 Cb 0.04 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 2kvs h MET 13 CO -0.05 0.00 -0.09 0.78 1.06 0.00 0.00 176.91 178.61 2kvs h GLY 14 N 0.00 0.00 -0.44 8.32 0.00 -1.34 -1.20 103.07 108.41 2kvs h GLY 14 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kvs h GLY 14 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.23 2kvs n PHE 15 N -4.18 0.10 -0.00 5.60 3.72 -0.45 -3.89 117.46 118.36 2kvs n PHE 15 Ca -0.03 -0.05 -0.06 0.00 -0.05 0.00 0.00 57.45 57.26 2kvs n PHE 15 Cb 0.17 0.00 -0.12 0.00 -0.94 0.00 0.00 39.48 38.59 2kvs n PHE 15 CO 0.00 0.00 0.00 0.37 -0.05 0.00 0.00 176.76 177.08 2kvs h GLN 16 N 1.93 0.00 0.31 -1.08 -0.00 -1.32 -3.26 115.11 111.70 2kvs h GLN 16 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.63 2kvs h GLN 16 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.90 2kvs h GLN 16 CO 0.00 0.48 -0.15 -0.97 0.00 0.00 0.00 178.83 178.19 2kvs h ASN 17 N 0.00 -0.35 -3.53 -0.69 -0.73 -1.67 -3.39 115.58 105.21 2kvs h ASN 17 Ca -0.23 0.01 -0.63 0.00 1.87 0.00 0.00 56.30 57.32 2kvs h ASN 17 Cb 1.88 0.09 -0.13 0.00 0.27 0.00 0.00 38.32 40.43 2kvs h ASN 17 CO 0.07 -0.19 0.36 1.51 -0.37 0.00 0.00 177.43 178.82 2kvs s ASP 18 N -3.24 6.38 -0.20 1.15 -4.77 -1.26 -5.00 116.67 109.73 2kvs s ASP 18 Ca -0.06 -0.21 -0.31 0.00 -3.30 0.00 0.00 52.55 48.67 2kvs s ASP 18 Cb 0.01 -2.39 -0.08 0.00 -1.09 0.00 0.00 42.92 39.37 2kvs s ASP 18 CO 0.18 -0.96 2.13 0.59 0.70 0.00 0.00 175.17 177.81 2kvs n ASN 19 N 6.80 3.15 -4.40 2.11 3.02 -1.26 -4.79 115.26 119.89 2kvs n ASN 19 Ca 0.02 0.46 -0.20 0.00 -0.03 0.00 0.00 54.58 54.82 2kvs n ASN 19 Cb 0.48 -1.46 -0.10 0.00 -0.61 0.00 0.00 39.78 38.09 2kvs n ASN 19 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2kvs s THR 20 N 6.95 1.23 0.58 3.41 -4.23 -1.25 -4.96 115.64 117.37 2kvs s THR 20 Ca 1.00 -2.04 0.29 0.00 -1.18 0.00 0.00 61.69 59.76 2kvs s THR 20 Cb -0.52 -2.56 0.40 0.00 1.34 0.00 0.00 72.50 71.16 2kvs s THR 20 CO 0.42 -0.18 1.85 -0.65 -0.54 0.00 0.00 174.62 175.52 2kvs h PRO 21 N 2.28 0.00 0.05 3.99 0.11 -1.93 0.36 132.00 136.86 2kvs h PRO 21 Ca -0.40 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.48 2kvs h PRO 21 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 2kvs h PRO 21 CO 0.67 0.00 -1.05 0.74 -0.21 0.00 0.00 178.00 178.15 2kvs h PHE 22 N 0.00 0.33 -0.08 0.65 0.04 -1.90 -3.27 116.94 112.71 2kvs h PHE 22 Ca 0.28 -0.21 0.02 0.00 2.80 0.00 0.00 57.97 60.86 2kvs h PHE 22 Cb 1.42 -0.02 -0.00 0.00 2.20 0.00 0.00 35.95 39.54 2kvs h PHE 22 CO 0.00 1.11 0.07 0.78 -0.60 0.00 0.00 178.31 179.67 2kvs h GLY 23 N 1.96 0.00 0.39 -1.45 0.00 -0.32 -1.75 103.07 101.90 2kvs h GLY 23 Ca -0.07 0.00 0.16 0.00 0.00 0.00 0.00 47.33 47.42 2kvs h GLY 23 CO 0.16 0.00 0.59 -2.22 0.00 0.00 0.00 176.54 175.08 2kvs h ILE 24 N 0.00 0.78 0.21 2.60 1.08 -1.57 0.17 117.51 120.78 2kvs h ILE 24 Ca 0.04 -0.23 -0.33 0.00 -0.39 0.00 0.00 64.86 63.94 2kvs h ILE 24 Cb 0.18 0.05 0.02 0.00 -3.07 0.00 0.00 36.82 34.00 2kvs h ILE 24 CO -0.00 0.12 -1.57 0.25 -0.69 0.00 0.00 178.15 176.27 2kvs h LEU 25 N 0.67 0.68 -0.74 1.44 7.12 -1.48 -3.24 115.31 119.77 2kvs h LEU 25 Ca 0.48 -0.84 0.09 0.00 0.13 0.00 0.00 57.88 57.75 2kvs h LEU 25 Cb 0.83 -0.22 -0.07 0.00 -0.53 0.00 0.00 40.66 40.67 2kvs h LEU 25 CO -0.24 1.68 0.39 0.00 -0.13 0.00 0.00 178.44 180.14 2kvs h ALA 26 N 0.22 1.03 -0.03 1.25 0.00 -0.88 -0.51 119.26 120.32 2kvs h ALA 26 Ca -0.28 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.55 2kvs h ALA 26 Cb 2.11 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 2kvs h ALA 26 CO 0.22 -0.00 -0.56 0.93 0.00 0.00 0.00 179.25 179.84 2kvs h GLU 27 N 0.66 0.10 0.03 0.00 5.08 -1.16 -2.49 114.58 116.80 2kvs h GLU 27 Ca 0.36 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.65 2kvs h GLU 27 Cb 0.35 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2kvs h GLU 27 CO -0.26 0.64 -0.01 1.25 -1.00 0.00 0.00 179.01 179.63 2kvs h HIS 28 N 0.08 -0.03 0.00 4.33 2.76 -1.17 0.17 115.15 121.29 2kvs h HIS 28 Ca -0.00 -0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 2kvs h HIS 28 Cb 1.02 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 29.98 2kvs h HIS 28 CO 0.01 0.08 -0.24 -0.39 -1.30 0.00 0.00 177.93 176.09 2kvs h VAL 29 N -0.14 0.98 -0.06 5.26 -1.51 -1.24 -0.52 116.25 119.01 2kvs h VAL 29 Ca -0.00 -0.87 -0.14 0.00 -1.23 0.00 0.00 66.70 64.45 2kvs h VAL 29 Cb 0.13 1.50 -0.01 0.00 -2.13 0.00 0.00 31.29 30.77 2kvs h VAL 29 CO 0.01 0.23 -0.61 -1.28 -1.23 0.00 0.00 177.57 174.69 2kvs h SER 30 N 0.00 0.25 -0.01 4.19 0.87 -1.11 -2.49 113.55 115.25 2kvs h SER 30 Ca -0.00 -0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.39 2kvs h SER 30 Cb 0.48 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 2kvs h SER 30 CO 0.03 0.80 -0.10 -0.08 -0.53 0.00 0.00 176.83 176.94 2kvs h GLU 31 N 0.16 0.10 -0.61 2.24 4.81 0.34 -3.33 114.58 118.29 2kvs h GLU 31 Ca -0.01 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2kvs h GLU 31 Cb 1.11 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.51 2kvs h GLU 31 CO 0.09 0.77 0.00 -3.47 -0.73 0.00 0.00 179.01 175.67 2kvs n ASP 32 N -4.65 5.39 0.02 1.04 2.03 -0.30 -4.51 116.55 115.56 2kvs n ASP 32 Ca -0.09 -2.84 0.05 0.00 0.52 0.00 0.00 54.79 52.43 2kvs n ASP 32 Cb 0.40 -0.67 0.23 0.00 -0.72 0.00 0.00 41.12 40.35 2kvs n ASP 32 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 2kvs n LYS 33 N 0.63 0.02 0.00 -0.67 2.85 -0.94 -3.00 118.16 117.06 2kvs n LYS 33 Ca 0.26 0.38 0.00 0.00 -1.05 0.00 0.00 58.31 57.90 2kvs n LYS 33 Cb 1.12 -1.56 0.00 0.00 -0.65 0.00 0.00 35.03 33.94 2kvs n LYS 33 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2kvs n ALA 34 N -1.54 2.34 -3.65 0.58 0.00 -1.26 -4.56 120.51 112.42 2kvs n ALA 34 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.07 2kvs n ALA 34 Cb 0.10 -1.00 -0.10 0.00 0.00 0.00 0.00 19.45 18.46 2kvs n ALA 34 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2kvs s PHE 35 N -1.89 3.50 -0.59 0.00 5.36 -1.16 -5.06 117.98 118.14 2kvs s PHE 35 Ca 0.00 -2.16 -0.27 0.00 -0.96 0.00 0.00 56.93 53.54 2kvs s PHE 35 Cb 0.00 -3.38 -0.01 0.00 -0.34 0.00 0.00 43.02 39.29 2kvs s PHE 35 CO 0.00 -0.98 1.74 -1.25 -1.46 0.00 0.00 175.22 173.27 2kvs s PRO 36 N 1.16 2.85 -0.08 10.12 0.04 -1.26 -4.84 135.00 142.98 2kvs s PRO 36 Ca 0.08 0.60 -0.02 0.00 0.04 0.00 0.00 61.00 61.69 2kvs s PRO 36 Cb -0.24 -4.31 -0.26 0.00 0.04 0.00 0.00 34.50 29.73 2kvs s PRO 36 CO -0.02 -2.48 0.54 0.00 0.04 0.00 0.00 177.00 175.08 2kvs h ARG 37 N 13.74 0.22 -0.99 4.56 3.08 -1.97 -3.48 114.38 129.54 2kvs h ARG 37 Ca -0.27 -0.37 -0.27 0.00 0.07 0.00 0.00 59.98 59.14 2kvs h ARG 37 Cb 1.14 0.14 -0.10 0.00 0.08 0.00 0.00 29.97 31.23 2kvs h ARG 37 CO 1.20 1.05 -0.24 1.28 -1.07 0.00 0.00 179.97 182.19 2kvs n LEU 38 N -3.39 -0.79 -0.16 3.04 4.32 -1.26 -4.83 117.00 113.93 2kvs n LEU 38 Ca -0.25 0.32 -0.01 0.00 -0.02 0.00 0.00 56.01 56.04 2kvs n LEU 38 Cb 1.05 -2.27 0.22 0.00 -1.62 0.00 0.00 43.42 40.80 2kvs n LEU 38 CO 0.45 -0.83 1.08 -0.33 -1.22 0.00 0.00 177.39 176.54 2kvs h GLU 39 N 0.00 0.88 0.00 3.23 5.08 -1.94 -3.46 114.58 118.37 2kvs h GLU 39 Ca -0.27 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2kvs h GLU 39 Cb 1.00 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2kvs h GLU 39 CO 0.39 0.70 0.00 -1.91 -1.00 0.00 0.00 179.01 177.19 2kvs n GLU 40 N -4.34 0.00 -2.01 2.33 2.13 -1.26 -4.90 120.64 112.59 2kvs n GLU 40 Ca 0.05 0.00 -0.42 0.00 0.66 0.00 0.00 57.16 57.45 2kvs n GLU 40 Cb 0.15 0.00 -0.03 0.00 0.27 0.00 0.00 31.44 31.83 2kvs n GLU 40 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2kvs s ARG 41 N 0.00 4.06 0.19 5.31 1.81 -1.26 -4.76 118.95 124.30 2kvs s ARG 41 Ca 0.00 2.07 0.17 0.00 -1.72 0.00 0.00 55.73 56.25 2kvs s ARG 41 Cb 0.00 -4.01 -0.02 0.00 -0.45 0.00 0.00 34.95 30.47 2kvs s ARG 41 CO 0.00 -0.99 1.15 0.45 -0.68 0.00 0.00 175.30 175.23 2kvs h HIS 42 N 10.00 0.00 -0.32 -0.53 3.86 -1.90 -3.33 115.15 122.93 2kvs h HIS 42 Ca -0.38 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 58.81 2kvs h HIS 42 Cb 1.17 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.63 2kvs h HIS 42 CO 0.89 0.46 0.10 -0.56 0.86 0.00 0.00 177.93 179.68 2kvs h GLN 43 N 0.00 0.45 -0.06 2.45 -0.00 -1.95 -2.07 115.11 113.93 2kvs h GLN 43 Ca -0.07 -0.06 -0.09 0.00 -0.00 0.00 0.00 58.65 58.42 2kvs h GLN 43 Cb 1.42 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.48 28.80 2kvs h GLN 43 CO 0.05 0.41 -0.39 -0.39 -0.00 0.00 0.00 178.83 178.50 2kvs h VAL 44 N 0.45 1.30 -0.56 1.86 -1.51 -1.99 -3.01 116.25 112.79 2kvs h VAL 44 Ca 0.11 -1.42 -0.07 0.00 -1.23 0.00 0.00 66.70 64.08 2kvs h VAL 44 Cb 0.15 1.69 -0.02 0.00 -2.13 0.00 0.00 31.29 30.97 2kvs h VAL 44 CO -0.01 0.42 0.07 0.40 -1.23 0.00 0.00 177.57 177.22 2kvs h ILE 45 N 0.11 1.26 -1.00 7.19 2.04 -1.55 -0.43 117.51 125.13 2kvs h ILE 45 Ca 0.01 -1.01 0.10 0.00 1.00 0.00 0.00 64.86 64.96 2kvs h ILE 45 Cb 0.75 0.83 -0.08 0.00 -0.74 0.00 0.00 36.82 37.58 2kvs h ILE 45 CO 0.06 0.37 0.63 -0.09 0.00 0.00 0.00 178.15 179.11 2kvs h ARG 46 N 0.83 1.02 -0.01 2.37 1.12 -1.38 -0.82 114.38 117.51 2kvs h ARG 46 Ca 0.17 -0.06 -0.09 0.00 -1.11 0.00 0.00 59.98 58.89 2kvs h ARG 46 Cb 0.45 -0.23 0.01 0.00 -0.01 0.00 0.00 29.97 30.18 2kvs h ARG 46 CO 0.02 0.68 -0.34 0.00 -3.11 0.00 0.00 179.97 177.21 2kvs h ALA 47 N 1.50 0.05 -0.45 2.80 0.00 -1.52 -3.31 119.26 118.33 2kvs h ALA 47 Ca 0.47 -0.49 0.08 0.00 0.00 0.00 0.00 54.91 54.97 2kvs h ALA 47 Cb 0.37 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 2kvs h ALA 47 CO -0.23 0.16 0.03 -0.92 0.00 0.00 0.00 179.25 178.29 2kvs h TYR 48 N -0.38 0.04 -0.46 0.00 3.20 -0.57 -1.69 116.97 117.12 2kvs h TYR 48 Ca -0.04 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2kvs h TYR 48 Cb 1.07 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 39.37 2kvs h TYR 48 CO 0.17 -0.06 0.28 -0.39 -1.64 0.00 0.00 178.16 176.52 2kvs h VAL 49 N 0.15 1.13 0.00 1.81 -1.51 -1.30 -1.45 116.25 115.08 2kvs h VAL 49 Ca 0.22 -0.27 -0.13 0.00 -1.23 0.00 0.00 66.70 65.30 2kvs h VAL 49 Cb 0.31 0.48 -0.02 0.00 -2.13 0.00 0.00 31.29 29.93 2kvs h VAL 49 CO -0.34 0.13 -0.61 0.24 -1.23 0.00 0.00 177.57 175.75 2kvs h MET 50 N 0.62 0.00 0.01 5.19 2.86 -1.42 0.13 114.93 122.31 2kvs h MET 50 Ca 0.17 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.61 2kvs h MET 50 Cb -0.04 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.60 2kvs h MET 50 CO -0.03 0.61 -0.94 1.03 1.06 0.00 0.00 176.91 178.64 2kvs h SER 51 N 0.00 0.03 0.00 1.22 0.87 -0.62 -3.41 113.55 111.65 2kvs h SER 51 Ca -0.01 -0.03 -0.22 0.00 -1.23 0.00 0.00 61.79 60.30 2kvs h SER 51 Cb 1.17 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 63.09 2kvs h SER 51 CO 0.08 0.95 -1.78 0.59 -0.53 0.00 0.00 176.83 176.14 2kvs n ASN 52 N -3.45 1.87 -4.81 6.23 3.02 -0.68 -5.04 115.26 112.40 2kvs n ASN 52 Ca -0.01 0.07 -0.33 0.00 -0.03 0.00 0.00 54.58 54.27 2kvs n ASN 52 Cb 0.88 -0.33 -0.03 0.00 -0.61 0.00 0.00 39.78 39.69 2kvs n ASN 52 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2kvs s TYR 53 N -2.26 3.10 -0.14 3.10 1.51 0.03 -5.01 117.35 117.67 2kvs s TYR 53 Ca -0.19 1.56 -0.11 0.00 -1.01 0.00 0.00 57.07 57.32 2kvs s TYR 53 Cb 0.06 -2.99 -0.06 0.00 -0.11 0.00 0.00 41.96 38.86 2kvs s TYR 53 CO 0.27 -0.69 -0.25 0.25 -1.11 0.00 0.00 175.55 174.02 2kvs n THR 54 N -1.13 1.27 -1.68 -0.71 -2.24 -1.26 -4.78 114.28 103.75 2kvs n THR 54 Ca 0.08 -0.01 -0.47 0.00 -2.27 0.00 0.00 64.05 61.39 2kvs n THR 54 Cb 0.53 -1.96 -0.04 0.00 -2.10 0.00 0.00 70.33 66.75 2kvs n THR 54 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2kvs n ASP 55 N -4.04 3.44 0.25 3.42 9.92 -1.26 -4.87 116.55 123.41 2kvs n ASP 55 Ca -0.23 1.00 0.12 0.00 -0.53 0.00 0.00 54.79 55.15 2kvs n ASP 55 Cb 0.56 -1.41 0.63 0.00 -0.64 0.00 0.00 41.12 40.26 2kvs n ASP 55 CO 0.00 0.00 0.00 0.45 0.13 0.00 0.00 177.20 177.78 2kvs h HIS 56 N 8.43 0.00 0.00 1.24 3.86 -1.97 -0.26 115.15 126.44 2kvs h HIS 56 Ca -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.73 2kvs h HIS 56 Cb 1.26 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.73 2kvs h HIS 56 CO 0.81 0.15 0.00 1.04 0.86 0.00 0.00 177.93 180.80 2kvs n GLN 57 N -3.47 0.12 -0.13 2.45 3.00 -1.26 -0.11 117.38 117.97 2kvs n GLN 57 Ca -0.01 0.40 -0.26 0.00 -0.01 0.00 0.00 57.00 57.12 2kvs n GLN 57 Cb 0.32 -1.75 -0.11 0.00 0.00 0.00 0.00 30.24 28.71 2kvs n GLN 57 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2kvs n LEU 58 N -1.98 2.20 0.24 1.08 4.77 -0.24 -4.09 117.00 118.99 2kvs n LEU 58 Ca 0.02 0.24 -0.10 0.00 -0.03 0.00 0.00 56.01 56.14 2kvs n LEU 58 Cb 0.18 -0.87 -0.05 0.00 -2.33 0.00 0.00 43.42 40.36 2kvs n LEU 58 CO 0.16 0.64 0.36 0.40 -1.33 0.00 0.00 177.39 177.61 2kvs h ILE 59 N -0.74 0.00 0.00 -0.08 2.04 -1.08 -2.60 117.51 115.06 2kvs h ILE 59 Ca -0.64 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 2kvs h ILE 59 Cb 1.67 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 2kvs h ILE 59 CO -0.31 0.00 -0.05 -0.33 0.00 0.00 0.00 178.15 177.46 2kvs h GLU 60 N -0.84 0.00 -0.05 2.37 4.39 -0.78 -0.85 114.58 118.82 2kvs h GLU 60 Ca -0.06 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.59 2kvs h GLU 60 Cb 0.48 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2kvs h GLU 60 CO 0.11 0.05 -0.16 1.15 -1.16 0.00 0.00 179.01 178.99 2kvs h THR 61 N 0.00 1.45 0.32 1.13 2.02 -1.63 -2.71 112.91 113.49 2kvs h THR 61 Ca -0.00 -1.58 -0.02 0.00 0.77 0.00 0.00 66.41 65.58 2kvs h THR 61 Cb 0.22 2.37 0.00 0.00 -1.74 0.00 0.00 68.15 69.01 2kvs h THR 61 CO 0.01 0.44 -0.16 0.74 0.37 0.00 0.00 175.52 176.92 2kvs h THR 62 N -0.36 0.70 0.00 3.16 2.02 -0.87 -3.07 112.91 114.49 2kvs h THR 62 Ca -0.01 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 66.77 2kvs h THR 62 Cb 0.79 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 2kvs h THR 62 CO 0.03 0.07 -0.21 -0.55 0.37 0.00 0.00 175.52 175.24 2kvs h ASN 63 N -0.63 0.00 0.60 4.18 7.08 -1.35 -2.36 115.58 123.09 2kvs h ASN 63 Ca -0.04 0.00 -0.02 0.00 -3.08 0.00 0.00 56.30 53.16 2kvs h ASN 63 Cb 0.45 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 36.68 2kvs h ASN 63 CO 0.07 0.21 -0.50 -0.09 -2.08 0.00 0.00 177.43 175.04 2kvs h ARG 64 N 0.00 -1.03 -0.43 4.14 9.65 -1.41 -0.37 114.38 124.93 2kvs h ARG 64 Ca -0.00 0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 2kvs h ARG 64 Cb 0.42 0.23 -0.02 0.00 -1.39 0.00 0.00 29.97 29.21 2kvs h ARG 64 CO 0.03 -0.69 0.23 0.00 2.80 0.00 0.00 179.97 182.34 2kvs h ALA 65 N -0.94 0.55 -0.81 2.80 0.00 -1.43 -1.81 119.26 117.63 2kvs h ALA 65 Ca -0.08 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2kvs h ALA 65 Cb 0.90 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2kvs h ALA 65 CO -0.01 0.08 0.47 0.82 0.00 0.00 0.00 179.25 180.61 2kvs h ILE 66 N 0.56 1.24 -0.40 0.00 2.04 -1.41 -0.35 117.51 119.19 2kvs h ILE 66 Ca 0.15 -0.56 -0.09 0.00 1.00 0.00 0.00 64.86 65.37 2kvs h ILE 66 Cb 0.06 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 2kvs h ILE 66 CO -0.02 0.26 -0.12 0.77 0.00 0.00 0.00 178.15 179.04 2kvs h SER 67 N 1.12 0.69 -0.85 1.72 4.64 -0.90 -2.47 113.55 117.51 2kvs h SER 67 Ca 0.29 -0.20 -0.02 0.00 -0.47 0.00 0.00 61.79 61.38 2kvs h SER 67 Cb -0.00 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 61.86 2kvs h SER 67 CO -0.05 0.83 0.44 -0.07 -0.87 0.00 0.00 176.83 177.11 2kvs h LEU 68 N 0.64 1.08 0.00 5.97 3.38 -0.64 0.25 115.31 125.99 2kvs h LEU 68 Ca 0.11 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2kvs h LEU 68 Cb 0.57 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2kvs h LEU 68 CO 0.04 0.89 0.00 -1.22 0.09 0.00 0.00 178.44 178.24 2kvs n TYR 69 N -4.32 0.00 0.01 1.13 4.01 -0.20 -1.38 117.16 116.40 2kvs n TYR 69 Ca 0.09 0.00 -0.02 0.00 -0.16 0.00 0.00 57.90 57.80 2kvs n TYR 69 Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.14 2kvs n TYR 69 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 2kvs n MET 70 N -0.52 0.15 0.16 -0.72 2.81 -0.32 -4.38 117.12 114.29 2kvs n MET 70 Ca 0.01 0.06 -0.14 0.00 -1.81 0.00 0.00 57.70 55.82 2kvs n MET 70 Cb 0.00 -0.72 -0.07 0.00 -0.71 0.00 0.00 33.22 31.72 2kvs n MET 70 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2kvs h ALA 71 N -0.34 -0.37 -0.38 3.04 0.00 -1.04 -0.92 119.26 119.25 2kvs h ALA 71 Ca 0.00 -0.07 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2kvs h ALA 71 Cb 0.28 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2kvs h ALA 71 CO 0.00 -0.72 -0.12 -0.97 0.00 0.00 0.00 179.25 177.44 2kvs h ASN 72 N -0.38 0.77 -0.49 0.00 -0.73 -1.45 -3.07 115.58 110.25 2kvs h ASN 72 Ca -0.02 -0.38 0.10 0.00 1.87 0.00 0.00 56.30 57.87 2kvs h ASN 72 Cb 0.32 -0.21 -0.09 0.00 0.27 0.00 0.00 38.32 38.61 2kvs h ASN 72 CO 0.01 0.98 -0.07 0.25 -0.37 0.00 0.00 177.43 178.23 2kvs h LEU 73 N 0.57 -0.34 -2.37 0.34 7.12 -1.53 0.13 115.31 119.22 2kvs h LEU 73 Ca 0.09 0.13 -0.01 0.00 0.13 0.00 0.00 57.88 58.23 2kvs h LEU 73 Cb 0.65 0.26 -0.00 0.00 -0.53 0.00 0.00 40.66 41.04 2kvs h LEU 73 CO 0.04 -0.12 -0.03 -0.33 -0.13 0.00 0.00 178.44 177.87 2kvs h GLU 74 N 0.05 0.00 0.00 1.25 4.39 -1.12 0.32 114.58 119.46 2kvs h GLU 74 Ca 0.24 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.94 2kvs h GLU 74 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2kvs h GLU 74 CO -0.46 0.03 0.00 0.45 -1.16 0.00 0.00 179.01 177.87 2kvs h HIS 75 N 0.00 0.00 0.00 4.33 3.86 -0.64 0.16 115.15 122.86 2kvs h HIS 75 Ca -0.00 0.00 -0.37 0.00 -1.16 0.00 0.00 60.37 58.84 2kvs h HIS 75 Cb 0.09 0.00 -0.07 0.00 1.06 0.00 0.00 27.41 28.49 2kvs h HIS 75 CO 0.00 0.00 -2.40 1.58 0.86 0.00 0.00 177.93 177.97 2kvs n HIS 76 N -2.87 0.00 0.14 2.45 -0.00 -0.32 -4.46 115.22 110.16 2kvs n HIS 76 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 2kvs n HIS 76 Cb 0.39 -0.98 0.19 0.00 -0.00 0.00 0.00 29.99 29.59 2kvs n HIS 76 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kvs h HIS 77 N 0.00 0.00 -3.49 1.57 6.17 -0.42 -3.30 115.15 115.69 2kvs h HIS 77 Ca -0.55 0.00 -0.77 0.00 0.71 0.00 0.00 60.37 59.76 2kvs h HIS 77 Cb 2.09 0.00 -0.30 0.00 2.52 0.00 0.00 27.41 31.72 2kvs h HIS 77 CO 0.01 0.58 0.30 -1.01 0.71 0.00 0.00 177.93 178.51 2kvs s HIS 78 N -3.58 4.18 0.05 5.26 3.76 0.55 -4.92 115.29 120.58 2kvs s HIS 78 Ca -0.01 -2.81 -0.23 0.00 -0.15 0.00 0.00 55.06 51.86 2kvs s HIS 78 Cb 0.12 -3.66 -0.15 0.00 1.11 0.00 0.00 32.58 30.00 2kvs s HIS 78 CO 0.75 -0.89 1.52 1.25 -0.85 0.00 0.00 174.74 176.52 2kvs h HIS 79 N 6.45 0.10 0.00 1.40 2.76 -1.80 -3.44 115.15 120.61 2kvs h HIS 79 Ca 0.17 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2kvs h HIS 79 Cb 0.85 -0.03 0.00 0.00 1.55 0.00 0.00 27.41 29.79 2kvs h HIS 79 CO 0.74 0.30 0.00 -2.39 -1.30 0.00 0.00 177.93 175.29