#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 -2.69 0.00 3.04 0.00 -1.26 -4.99 121.76 115.86 2kvs s ALA 2 Ca 0.00 0.24 0.00 0.00 0.00 0.00 0.00 51.96 52.20 2kvs s ALA 2 Cb 0.00 -2.78 0.00 0.00 0.00 0.00 0.00 23.12 20.34 2kvs s ALA 2 CO 0.00 -2.27 0.00 0.41 0.00 0.00 0.00 175.76 173.90 2kvs n GLY 3 N 3.94 1.24 3.16 0.00 0.00 -1.26 -4.78 105.19 107.50 2kvs n GLY 3 Ca 0.12 -0.02 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 2kvs n GLY 3 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kvs n ASP 4 N 3.25 -7.05 0.08 1.61 8.00 -1.26 -4.95 116.55 116.23 2kvs n ASP 4 Ca 0.00 0.02 -0.13 0.00 0.71 0.00 0.00 54.79 55.39 2kvs n ASP 4 Cb 0.00 -4.20 -0.08 0.00 -0.02 0.00 0.00 41.12 36.82 2kvs n ASP 4 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2kvs h PRO 5 N 1.24 -0.17 -2.08 -0.24 0.13 -1.89 -3.46 132.00 125.52 2kvs h PRO 5 Ca -0.19 0.01 -0.32 0.00 -0.87 0.00 0.00 66.00 64.63 2kvs h PRO 5 Cb 1.13 0.04 -0.09 0.00 0.13 0.00 0.00 31.00 32.21 2kvs h PRO 5 CO 0.26 0.09 -0.34 -1.33 -0.23 0.00 0.00 178.00 176.45 2kvs n MET 6 N -5.05 -1.59 0.39 0.86 2.81 -1.26 -4.88 117.12 108.39 2kvs n MET 6 Ca -0.09 0.88 -0.19 0.00 -1.81 0.00 0.00 57.70 56.49 2kvs n MET 6 Cb 0.19 -5.30 -0.09 0.00 -0.71 0.00 0.00 33.22 27.31 2kvs n MET 6 CO 0.00 0.00 0.00 1.79 1.51 0.00 0.00 175.97 179.27 2kvs h THR 7 N 0.00 0.09 -0.80 2.03 1.35 -1.94 0.20 112.91 113.84 2kvs h THR 7 Ca -0.35 0.00 0.16 0.00 -0.55 0.00 0.00 66.41 65.68 2kvs h THR 7 Cb 1.13 0.09 -0.10 0.00 -1.73 0.00 0.00 68.15 67.54 2kvs h THR 7 CO 0.47 0.00 0.33 0.15 -0.25 0.00 0.00 175.52 176.22 2kvs h PHE 8 N -1.09 0.56 -0.22 4.73 3.57 -1.95 -0.98 116.94 121.56 2kvs h PHE 8 Ca -0.09 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.46 2kvs h PHE 8 Cb 0.89 -0.13 -0.02 0.00 2.79 0.00 0.00 35.95 39.48 2kvs h PHE 8 CO -0.12 0.05 0.10 -0.92 -2.23 0.00 0.00 178.31 175.19 2kvs h TYR 9 N 0.45 0.19 -0.89 0.41 3.20 -1.85 -1.91 116.97 116.56 2kvs h TYR 9 Ca 0.46 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.35 2kvs h TYR 9 Cb 0.73 -0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.90 2kvs h TYR 9 CO -0.16 0.11 0.59 -0.97 -1.64 0.00 0.00 178.16 176.09 2kvs h ASN 10 N 0.22 1.00 0.19 -2.11 -0.00 0.56 -2.65 115.58 112.80 2kvs h ASN 10 Ca 0.09 -0.02 -0.01 0.00 -0.00 0.00 0.00 56.30 56.36 2kvs h ASN 10 Cb 0.03 -0.24 0.00 0.00 -0.00 0.00 0.00 38.32 38.11 2kvs h ASN 10 CO -0.07 0.71 -0.09 0.15 -0.00 0.00 0.00 177.43 178.13 2kvs h PHE 11 N 1.17 -0.24 0.00 0.67 3.57 -0.93 -3.30 116.94 117.88 2kvs h PHE 11 Ca 0.34 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.78 2kvs h PHE 11 Cb -0.07 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 2kvs h PHE 11 CO -0.00 0.07 -0.25 0.97 -2.23 0.00 0.00 178.31 176.86 2kvs h ILE 12 N -0.55 0.80 -0.83 1.41 6.09 -1.21 -3.15 117.51 120.07 2kvs h ILE 12 Ca -0.03 -1.03 0.17 0.00 -1.37 0.00 0.00 64.86 62.60 2kvs h ILE 12 Cb 0.41 1.63 -0.06 0.00 0.47 0.00 0.00 36.82 39.27 2kvs h ILE 12 CO 0.04 0.25 0.55 0.24 -3.07 0.00 0.00 178.15 176.16 2kvs h MET 13 N 0.00 0.45 0.00 2.19 2.86 -1.55 -1.25 114.93 117.62 2kvs h MET 13 Ca -0.00 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2kvs h MET 13 Cb 0.61 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 2kvs h MET 13 CO 0.03 0.30 -0.00 0.78 1.06 0.00 0.00 176.91 179.08 2kvs h GLY 14 N 0.46 0.00 0.06 8.32 0.00 -1.75 -1.74 103.07 108.42 2kvs h GLY 14 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 2kvs h GLY 14 CO -0.15 0.00 -0.25 0.69 0.00 0.00 0.00 176.54 176.83 2kvs n PHE 15 N -4.40 0.00 0.87 5.60 3.72 -0.48 -3.78 117.46 119.00 2kvs n PHE 15 Ca -0.03 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.50 2kvs n PHE 15 Cb 0.09 -0.10 0.49 0.00 -0.94 0.00 0.00 39.48 39.02 2kvs n PHE 15 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 176.76 177.65 2kvs n GLN 16 N -0.51 0.09 -0.06 -1.08 0.00 -0.65 -3.64 117.38 111.53 2kvs n GLN 16 Ca 0.13 0.06 0.17 0.00 -0.00 0.00 0.00 57.00 57.36 2kvs n GLN 16 Cb 0.36 -1.60 0.60 0.00 0.00 0.00 0.00 30.24 29.61 2kvs n GLN 16 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 177.06 176.09 2kvs h ASN 17 N 0.00 0.18 -3.12 1.69 -1.24 -1.68 -3.44 115.58 107.97 2kvs h ASN 17 Ca 0.00 0.01 -0.48 0.00 0.71 0.00 0.00 56.30 56.53 2kvs h ASN 17 Cb 0.58 -0.03 -0.14 0.00 0.73 0.00 0.00 38.32 39.47 2kvs h ASN 17 CO 0.00 0.10 -0.61 -1.81 -1.29 0.00 0.00 177.43 173.82 2kvs s ASP 18 N -6.17 2.49 -0.86 1.15 1.01 -1.25 -5.06 116.67 107.98 2kvs s ASP 18 Ca -0.06 -1.37 -0.25 0.00 0.71 0.00 0.00 52.55 51.57 2kvs s ASP 18 Cb 0.20 -0.11 -0.08 0.00 1.01 0.00 0.00 42.92 43.94 2kvs s ASP 18 CO 0.74 -0.59 2.09 0.20 0.21 0.00 0.00 175.17 177.82 2kvs s ASN 19 N -3.50 4.75 0.07 0.27 0.01 -1.26 -4.62 114.94 110.65 2kvs s ASN 19 Ca 0.36 -0.43 0.02 0.00 -0.71 0.00 0.00 52.86 52.11 2kvs s ASN 19 Cb 0.09 -2.56 -0.03 0.00 0.41 0.00 0.00 41.25 39.16 2kvs s ASN 19 CO 0.16 -3.10 -0.08 0.42 -1.51 0.00 0.00 177.10 172.99 2kvs s THR 20 N 11.56 0.67 0.40 1.60 -4.23 -1.26 -5.02 115.64 119.36 2kvs s THR 20 Ca 0.77 -1.46 0.15 0.00 -1.18 0.00 0.00 61.69 59.97 2kvs s THR 20 Cb -0.09 -1.10 0.36 0.00 1.34 0.00 0.00 72.50 73.01 2kvs s THR 20 CO 0.02 -0.57 1.87 -0.65 -0.54 0.00 0.00 174.62 174.75 2kvs h PRO 21 N 3.83 0.46 -0.73 3.99 0.11 -1.93 0.40 132.00 138.14 2kvs h PRO 21 Ca -0.36 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.67 2kvs h PRO 21 Cb 1.19 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.16 2kvs h PRO 21 CO 0.51 0.31 0.24 0.74 -0.21 0.00 0.00 178.00 179.58 2kvs h PHE 22 N 0.48 1.15 -0.77 0.65 0.04 -1.95 -0.83 116.94 115.71 2kvs h PHE 22 Ca 0.45 -0.11 -0.03 0.00 2.80 0.00 0.00 57.97 61.08 2kvs h PHE 22 Cb 1.01 -0.34 -0.03 0.00 2.20 0.00 0.00 35.95 38.79 2kvs h PHE 22 CO -0.00 0.90 0.35 0.78 -0.60 0.00 0.00 178.31 179.74 2kvs h GLY 23 N 1.11 1.21 1.26 -1.45 0.00 -1.02 0.58 103.07 104.76 2kvs h GLY 23 Ca 0.24 -0.62 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 2kvs h GLY 23 CO -0.01 0.59 0.06 -2.22 0.00 0.00 0.00 176.54 174.96 2kvs h ILE 24 N 1.10 1.25 0.45 2.60 1.08 -1.07 -0.22 117.51 122.70 2kvs h ILE 24 Ca 0.26 -0.98 -0.02 0.00 -0.39 0.00 0.00 64.86 63.73 2kvs h ILE 24 Cb 0.15 0.75 0.00 0.00 -3.07 0.00 0.00 36.82 34.66 2kvs h ILE 24 CO -0.03 0.36 -0.22 0.25 -0.69 0.00 0.00 178.15 177.82 2kvs h LEU 25 N 0.85 -0.51 -0.50 1.44 7.12 -0.75 -2.18 115.31 120.79 2kvs h LEU 25 Ca 0.17 -0.01 0.08 0.00 0.13 0.00 0.00 57.88 58.26 2kvs h LEU 25 Cb 0.42 0.13 -0.07 0.00 -0.53 0.00 0.00 40.66 40.61 2kvs h LEU 25 CO 0.01 -0.33 0.12 0.00 -0.13 0.00 0.00 178.44 178.11 2kvs h ALA 26 N -0.11 0.58 -0.53 1.25 0.00 -0.76 -0.55 119.26 119.14 2kvs h ALA 26 Ca -0.06 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.03 2kvs h ALA 26 Cb 0.49 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 2kvs h ALA 26 CO 0.10 -0.29 0.14 1.49 0.00 0.00 0.00 179.25 180.69 2kvs h GLU 27 N 0.26 0.28 -0.04 0.00 4.81 -0.97 -0.29 114.58 118.63 2kvs h GLU 27 Ca 0.25 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.41 2kvs h GLU 27 Cb 0.32 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2kvs h GLU 27 CO -0.31 0.18 -0.18 1.25 -0.73 0.00 0.00 179.01 179.22 2kvs h HIS 28 N 0.28 0.26 0.00 0.92 2.76 -0.81 -3.14 115.15 115.43 2kvs h HIS 28 Ca 0.26 -0.11 -0.06 0.00 -2.20 0.00 0.00 60.37 58.27 2kvs h HIS 28 Cb 0.34 -0.04 -0.01 0.00 1.55 0.00 0.00 27.41 29.26 2kvs h HIS 28 CO -0.21 0.82 -0.26 -0.39 -1.30 0.00 0.00 177.93 176.59 2kvs h VAL 29 N -0.37 1.01 0.00 5.26 -1.51 -1.04 0.13 116.25 119.73 2kvs h VAL 29 Ca -0.01 -0.96 -0.01 0.00 -1.23 0.00 0.00 66.70 64.49 2kvs h VAL 29 Cb 0.84 1.54 -0.00 0.00 -2.13 0.00 0.00 31.29 31.54 2kvs h VAL 29 CO 0.04 0.26 -0.06 -1.28 -1.23 0.00 0.00 177.57 175.29 2kvs h SER 30 N 0.00 0.00 0.00 4.19 0.87 -1.07 -3.36 113.55 114.18 2kvs h SER 30 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2kvs h SER 30 Cb 0.52 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.48 2kvs h SER 30 CO 0.03 0.06 -0.18 1.21 -0.53 0.00 0.00 176.83 177.43 2kvs n GLU 31 N -3.24 0.10 -1.02 2.24 2.13 -0.42 -5.10 120.64 115.32 2kvs n GLU 31 Ca -0.00 0.04 0.13 0.00 0.66 0.00 0.00 57.16 57.99 2kvs n GLU 31 Cb 0.28 -0.67 -0.05 0.00 0.27 0.00 0.00 31.44 31.27 2kvs n GLU 31 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2kvs n ASP 32 N -2.85 -6.09 -0.18 4.31 2.03 0.34 -4.31 116.55 109.80 2kvs n ASP 32 Ca -0.02 0.75 0.06 0.00 0.52 0.00 0.00 54.79 56.09 2kvs n ASP 32 Cb 0.09 -3.32 0.27 0.00 -0.72 0.00 0.00 41.12 37.44 2kvs n ASP 32 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2kvs n LYS 33 N -3.77 1.23 -2.22 -0.67 4.81 -1.26 -4.92 118.16 111.36 2kvs n LYS 33 Ca -0.03 -0.35 -0.05 0.00 -0.87 0.00 0.00 58.31 57.01 2kvs n LYS 33 Cb 0.48 -1.20 0.02 0.00 0.02 0.00 0.00 35.03 34.35 2kvs n LYS 33 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kvs n ALA 34 N -0.32 -1.44 -3.25 3.14 0.00 -1.26 -5.08 120.51 112.30 2kvs n ALA 34 Ca 0.09 0.05 -0.29 0.00 0.00 0.00 0.00 53.44 53.28 2kvs n ALA 34 Cb 0.11 -2.35 -0.17 0.00 0.00 0.00 0.00 19.45 17.05 2kvs n ALA 34 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2kvs s PHE 35 N -3.13 2.16 -0.61 0.00 0.08 -1.26 -5.10 117.98 110.12 2kvs s PHE 35 Ca 0.16 -0.84 -0.24 0.00 0.12 0.00 0.00 56.93 56.13 2kvs s PHE 35 Cb -0.02 -1.47 0.05 0.00 -0.57 0.00 0.00 43.02 41.01 2kvs s PHE 35 CO 0.31 -0.35 0.99 -1.25 -0.10 0.00 0.00 175.22 174.82 2kvs s PRO 36 N 0.39 3.24 0.00 0.24 0.04 -1.26 -4.88 135.00 132.77 2kvs s PRO 36 Ca -0.16 -0.46 0.25 0.00 0.04 0.00 0.00 61.00 60.67 2kvs s PRO 36 Cb -0.17 -4.13 0.43 0.00 0.04 0.00 0.00 34.50 30.68 2kvs s PRO 36 CO 0.07 -1.67 1.38 0.54 0.04 0.00 0.00 177.00 177.35 2kvs n ARG 37 N 7.75 1.49 -2.46 4.56 3.00 -1.26 -5.03 116.66 124.71 2kvs n ARG 37 Ca -0.00 -1.10 -0.04 0.00 -0.01 0.00 0.00 57.85 56.70 2kvs n ARG 37 Cb 0.47 -1.48 -0.03 0.00 0.00 0.00 0.00 32.46 31.42 2kvs n ARG 37 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2kvs n LEU 38 N 0.20 -5.98 -2.59 0.55 4.77 -1.26 -5.01 117.00 107.68 2kvs n LEU 38 Ca 0.13 1.78 -0.14 0.00 -0.03 0.00 0.00 56.01 57.75 2kvs n LEU 38 Cb 0.45 -2.97 0.02 0.00 -2.33 0.00 0.00 43.42 38.59 2kvs n LEU 38 CO 0.22 -3.27 0.01 -0.62 -1.33 0.00 0.00 177.39 172.39 2kvs n GLU 39 N 1.22 2.05 -0.02 3.23 1.02 -1.26 -4.84 120.64 122.04 2kvs n GLU 39 Ca -0.27 -3.70 -0.13 0.00 -0.02 0.00 0.00 57.16 53.04 2kvs n GLU 39 Cb 0.41 -1.66 -0.10 0.00 -0.02 0.00 0.00 31.44 30.08 2kvs n GLU 39 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2kvs h GLU 40 N 2.76 0.04 -5.69 3.49 3.07 -1.98 -3.43 114.58 112.84 2kvs h GLU 40 Ca 0.04 -0.02 -0.61 0.00 -0.50 0.00 0.00 59.36 58.27 2kvs h GLU 40 Cb 1.16 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 28.96 2kvs h GLU 40 CO 0.56 0.58 0.33 1.03 -1.40 0.00 0.00 179.01 180.11 2kvs s ARG 41 N -4.01 4.01 0.37 2.33 1.81 -1.26 -4.96 118.95 117.24 2kvs s ARG 41 Ca -0.16 0.58 0.19 0.00 -1.72 0.00 0.00 55.73 54.62 2kvs s ARG 41 Cb 0.01 -3.70 1.17 0.00 -0.45 0.00 0.00 34.95 31.98 2kvs s ARG 41 CO 0.69 -0.59 1.67 0.45 -0.68 0.00 0.00 175.30 176.83 2kvs h HIS 42 N 8.03 0.80 -0.79 -0.53 3.86 -1.91 -2.24 115.15 122.36 2kvs h HIS 42 Ca -0.25 0.03 0.15 0.00 -1.16 0.00 0.00 60.37 59.15 2kvs h HIS 42 Cb 1.10 -0.21 -0.10 0.00 1.06 0.00 0.00 27.41 29.26 2kvs h HIS 42 CO 0.77 -0.15 0.34 0.37 0.86 0.00 0.00 177.93 180.11 2kvs h GLN 43 N 0.28 0.45 -0.11 2.45 -0.00 -1.92 -1.73 115.11 114.53 2kvs h GLN 43 Ca 0.73 -0.03 -0.08 0.00 -0.00 0.00 0.00 58.65 59.28 2kvs h GLN 43 Cb 1.85 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 29.21 2kvs h GLN 43 CO -0.52 0.30 -0.29 -0.39 0.00 0.00 0.00 178.83 177.93 2kvs h VAL 44 N 0.47 1.25 -0.74 2.39 -1.51 -1.79 -2.80 116.25 113.52 2kvs h VAL 44 Ca 0.44 -1.18 0.07 0.00 -1.23 0.00 0.00 66.70 64.80 2kvs h VAL 44 Cb 0.69 1.49 -0.06 0.00 -2.13 0.00 0.00 31.29 31.28 2kvs h VAL 44 CO -0.42 0.35 0.42 0.40 -1.23 0.00 0.00 177.57 177.10 2kvs h ILE 45 N 0.18 0.97 -0.95 7.19 2.04 -1.46 -0.35 117.51 125.13 2kvs h ILE 45 Ca 0.03 -0.26 0.07 0.00 1.00 0.00 0.00 64.86 65.70 2kvs h ILE 45 Cb 0.61 0.14 -0.06 0.00 -0.74 0.00 0.00 36.82 36.77 2kvs h ILE 45 CO 0.04 0.14 0.62 -0.09 0.00 0.00 0.00 178.15 178.86 2kvs h ARG 46 N 0.76 1.04 -0.19 2.37 2.43 -1.54 -2.05 114.38 117.21 2kvs h ARG 46 Ca 0.33 -0.06 -0.10 0.00 -0.81 0.00 0.00 59.98 59.34 2kvs h ARG 46 Cb 0.22 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2kvs h ARG 46 CO -0.19 0.69 -0.33 0.00 -1.51 0.00 0.00 179.97 178.63 2kvs h ALA 47 N 1.49 1.09 0.07 2.80 0.00 -1.09 -2.91 119.26 120.72 2kvs h ALA 47 Ca 0.42 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2kvs h ALA 47 Cb 0.23 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2kvs h ALA 47 CO -0.17 0.57 -0.03 1.88 0.00 0.00 0.00 179.25 181.50 2kvs h TYR 48 N 0.33 -0.09 -0.87 0.00 0.05 -0.75 -3.12 116.97 112.52 2kvs h TYR 48 Ca 0.04 -0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.88 2kvs h TYR 48 Cb 0.74 0.03 -0.06 0.00 1.01 0.00 0.00 36.73 38.46 2kvs h TYR 48 CO 0.02 0.47 0.57 -0.39 -1.05 0.00 0.00 178.16 177.77 2kvs h VAL 49 N -0.74 1.06 0.00 -2.88 -1.51 -1.44 -0.34 116.25 110.40 2kvs h VAL 49 Ca -0.01 -0.34 -0.01 0.00 -1.23 0.00 0.00 66.70 65.12 2kvs h VAL 49 Cb 0.59 -0.00 -0.00 0.00 -2.13 0.00 0.00 31.29 29.75 2kvs h VAL 49 CO 0.02 0.18 -0.02 0.24 -1.23 0.00 0.00 177.57 176.75 2kvs h MET 50 N 0.98 0.00 0.03 5.19 2.86 -1.60 -0.19 114.93 122.20 2kvs h MET 50 Ca 0.37 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.79 2kvs h MET 50 Cb 0.20 0.00 0.02 0.00 0.06 0.00 0.00 31.60 31.88 2kvs h MET 50 CO -0.14 0.02 -0.87 1.03 1.06 0.00 0.00 176.91 178.01 2kvs h SER 51 N 0.00 0.72 0.01 1.22 0.87 -0.99 -3.41 113.55 111.96 2kvs h SER 51 Ca -0.00 -0.78 -0.34 0.00 -1.23 0.00 0.00 61.79 59.44 2kvs h SER 51 Cb 0.53 -0.22 -0.05 0.00 -0.44 0.00 0.00 62.40 62.22 2kvs h SER 51 CO 0.00 1.41 -1.88 0.59 -0.53 0.00 0.00 176.83 176.43 2kvs n ASN 52 N -4.02 1.92 -4.58 6.23 5.03 -1.07 -4.95 115.26 113.82 2kvs n ASN 52 Ca -0.11 0.36 -0.39 0.00 0.87 0.00 0.00 54.58 55.30 2kvs n ASN 52 Cb 0.81 -0.88 -0.10 0.00 -1.02 0.00 0.00 39.78 38.59 2kvs n ASN 52 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 2kvs s TYR 53 N -2.44 3.23 -1.14 3.10 2.02 -0.09 -5.01 117.35 117.02 2kvs s TYR 53 Ca -0.33 0.19 -0.09 0.00 -0.37 0.00 0.00 57.07 56.47 2kvs s TYR 53 Cb 0.10 -2.51 0.26 0.00 -0.40 0.00 0.00 41.96 39.41 2kvs s TYR 53 CO 0.56 -0.24 1.24 0.25 -1.57 0.00 0.00 175.55 175.78 2kvs n THR 54 N 5.12 4.60 -3.66 -0.71 -2.24 -1.26 -4.55 114.28 111.57 2kvs n THR 54 Ca -0.11 -5.31 -0.07 0.00 -2.27 0.00 0.00 64.05 56.30 2kvs n THR 54 Cb 0.51 -2.51 -0.08 0.00 -2.10 0.00 0.00 70.33 66.16 2kvs n THR 54 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kvs s ASP 55 N 1.22 -0.81 0.23 3.42 2.15 -1.26 -5.06 116.67 116.57 2kvs s ASP 55 Ca 0.33 1.32 -0.06 0.00 0.43 0.00 0.00 52.55 54.57 2kvs s ASP 55 Cb -0.07 1.38 0.22 0.00 -0.30 0.00 0.00 42.92 44.16 2kvs s ASP 55 CO -0.04 -0.22 1.81 -0.74 -0.17 0.00 0.00 175.17 175.80 2kvs h HIS 56 N 7.31 1.16 -0.27 -5.34 -0.00 -1.99 -2.29 115.15 113.73 2kvs h HIS 56 Ca -0.28 -0.08 -0.04 0.00 -0.00 0.00 0.00 60.37 59.97 2kvs h HIS 56 Cb 1.18 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 28.23 2kvs h HIS 56 CO 0.14 0.87 0.01 1.96 -0.00 0.00 0.00 177.93 180.91 2kvs h GLN 57 N 1.12 0.47 0.15 5.26 7.50 -1.98 0.28 115.11 127.91 2kvs h GLN 57 Ca 0.26 -0.14 -0.01 0.00 0.50 0.00 0.00 58.65 59.26 2kvs h GLN 57 Cb 0.19 -0.05 0.00 0.00 0.05 0.00 0.00 27.48 27.68 2kvs h GLN 57 CO -0.02 0.62 -0.07 -0.07 -1.50 0.00 0.00 178.83 177.78 2kvs h LEU 58 N 0.26 -0.17 -0.84 1.46 3.38 -1.98 -1.63 115.31 115.79 2kvs h LEU 58 Ca 0.08 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 2kvs h LEU 58 Cb 0.40 0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 2kvs h LEU 58 CO 0.01 -0.00 0.52 0.40 0.09 0.00 0.00 178.44 179.46 2kvs h ILE 59 N -0.33 1.23 0.30 1.22 1.08 -1.35 -1.74 117.51 117.92 2kvs h ILE 59 Ca -0.02 -0.48 -0.01 0.00 -0.39 0.00 0.00 64.86 63.95 2kvs h ILE 59 Cb 0.26 0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.05 2kvs h ILE 59 CO 0.03 0.24 -0.14 -0.08 -0.69 0.00 0.00 178.15 177.51 2kvs h GLU 60 N 1.15 -0.39 -0.93 2.37 4.57 -0.39 0.29 114.58 121.26 2kvs h GLU 60 Ca 0.30 0.03 0.13 0.00 -1.18 0.00 0.00 59.36 58.64 2kvs h GLU 60 Cb -0.07 0.09 -0.09 0.00 -0.16 0.00 0.00 28.75 28.52 2kvs h GLU 60 CO -0.06 -0.18 0.56 1.15 -1.18 0.00 0.00 179.01 179.29 2kvs h THR 61 N -0.51 0.86 0.34 0.32 2.02 -1.21 -2.26 112.91 112.46 2kvs h THR 61 Ca -0.04 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 2kvs h THR 61 Cb 0.38 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 66.73 2kvs h THR 61 CO 0.07 0.16 -0.16 0.74 0.37 0.00 0.00 175.52 176.69 2kvs h THR 62 N 0.85 0.00 -0.06 3.16 2.02 -0.98 -3.21 112.91 114.70 2kvs h THR 62 Ca 0.48 -0.18 0.02 0.00 0.77 0.00 0.00 66.41 67.49 2kvs h THR 62 Cb 0.53 0.00 -0.00 0.00 -1.74 0.00 0.00 68.15 66.94 2kvs h THR 62 CO -0.29 0.00 0.05 -0.55 0.37 0.00 0.00 175.52 175.10 2kvs h ASN 63 N -0.63 0.00 0.82 4.18 -0.00 -0.92 -1.59 115.58 117.44 2kvs h ASN 63 Ca -0.05 0.00 -0.04 0.00 -0.00 0.00 0.00 56.30 56.21 2kvs h ASN 63 Cb 0.35 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.67 2kvs h ASN 63 CO 0.08 0.00 -0.40 -0.09 -0.00 0.00 0.00 177.43 177.02 2kvs h ARG 64 N 0.00 -1.07 -0.56 4.14 2.43 -1.49 -1.01 114.38 116.83 2kvs h ARG 64 Ca 0.03 0.07 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 2kvs h ARG 64 Cb 0.13 0.24 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 2kvs h ARG 64 CO -0.00 -0.70 0.17 0.00 -1.51 0.00 0.00 179.97 177.92 2kvs h ALA 65 N -1.08 1.24 0.01 2.80 0.00 -1.44 -0.65 119.26 120.14 2kvs h ALA 65 Ca -0.11 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.63 2kvs h ALA 65 Cb 0.86 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2kvs h ALA 65 CO 0.19 0.54 -0.14 0.82 0.00 0.00 0.00 179.25 180.66 2kvs h ILE 66 N 0.82 0.67 -0.00 0.00 1.08 -1.27 -2.71 117.51 116.09 2kvs h ILE 66 Ca 0.19 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.65 2kvs h ILE 66 Cb 0.25 0.67 0.00 0.00 -3.07 0.00 0.00 36.82 34.67 2kvs h ILE 66 CO -0.01 0.00 -0.01 -1.28 -0.69 0.00 0.00 178.15 176.16 2kvs h SER 67 N -0.23 0.01 -0.96 1.72 0.87 -1.00 -3.32 113.55 110.64 2kvs h SER 67 Ca 0.04 -0.60 0.15 0.00 -1.23 0.00 0.00 61.79 60.15 2kvs h SER 67 Cb 0.29 -0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 62.16 2kvs h SER 67 CO -0.13 0.61 0.61 -0.07 -0.53 0.00 0.00 176.83 177.32 2kvs h LEU 68 N -0.59 0.78 0.15 2.23 3.38 -1.16 0.18 115.31 120.29 2kvs h LEU 68 Ca -0.00 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2kvs h LEU 68 Cb 0.61 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2kvs h LEU 68 CO 0.00 0.38 -0.27 1.88 0.09 0.00 0.00 178.44 180.52 2kvs h TYR 69 N 0.82 -0.72 0.00 1.13 0.05 -1.57 0.40 116.97 117.08 2kvs h TYR 69 Ca 0.50 0.01 -0.07 0.00 0.05 0.00 0.00 58.73 59.22 2kvs h TYR 69 Cb 0.69 0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.71 2kvs h TYR 69 CO -0.00 -0.37 -0.31 0.52 -1.05 0.00 0.00 178.16 176.94 2kvs h MET 70 N -0.49 0.00 -0.12 4.88 2.86 -1.47 -0.84 114.93 119.74 2kvs h MET 70 Ca 0.02 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.53 2kvs h MET 70 Cb 0.51 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.17 2kvs h MET 70 CO -0.14 0.31 -0.46 0.00 1.06 0.00 0.00 176.91 177.68 2kvs h ALA 71 N 1.69 0.22 0.00 6.32 0.00 -0.51 -3.26 119.26 123.72 2kvs h ALA 71 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2kvs h ALA 71 Cb 1.15 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2kvs h ALA 71 CO 0.04 0.37 -0.36 -0.97 0.00 0.00 0.00 179.25 178.33 2kvs h ASN 72 N 0.14 0.00 0.19 0.00 -0.73 -0.93 -3.36 115.58 110.89 2kvs h ASN 72 Ca -0.02 -0.04 0.01 0.00 1.87 0.00 0.00 56.30 58.12 2kvs h ASN 72 Cb 1.10 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.64 2kvs h ASN 72 CO 0.10 0.02 -0.48 0.25 -0.37 0.00 0.00 177.43 176.95 2kvs h LEU 73 N 0.00 -1.40 -1.83 0.34 7.12 -1.18 -1.47 115.31 116.88 2kvs h LEU 73 Ca 0.00 0.14 -0.02 0.00 0.13 0.00 0.00 57.88 58.13 2kvs h LEU 73 Cb 0.90 0.51 -0.00 0.00 -0.53 0.00 0.00 40.66 41.53 2kvs h LEU 73 CO 0.00 -0.55 -0.12 -0.08 -0.13 0.00 0.00 178.44 177.56 2kvs h GLU 74 N -0.76 0.00 -0.79 1.25 4.57 -1.72 0.95 114.58 118.08 2kvs h GLU 74 Ca -0.00 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.18 2kvs h GLU 74 Cb 0.75 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.30 2kvs h GLU 74 CO -0.23 0.12 0.52 1.25 -1.18 0.00 0.00 179.01 179.48 2kvs h HIS 75 N 0.00 1.00 -0.06 0.92 2.76 -1.47 0.54 115.15 118.83 2kvs h HIS 75 Ca -0.00 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.07 2kvs h HIS 75 Cb 0.22 -0.34 0.01 0.00 1.55 0.00 0.00 27.41 28.85 2kvs h HIS 75 CO 0.00 0.64 -0.44 0.45 -1.30 0.00 0.00 177.93 177.28 2kvs h HIS 76 N 1.07 0.57 0.00 5.26 3.86 -0.38 -3.00 115.15 122.53 2kvs h HIS 76 Ca 0.29 -0.26 -0.01 0.00 -1.16 0.00 0.00 60.37 59.23 2kvs h HIS 76 Cb -0.11 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.27 2kvs h HIS 76 CO -0.02 1.03 -0.04 1.25 0.86 0.00 0.00 177.93 181.02 2kvs h HIS 77 N -0.06 0.00 0.00 2.45 6.17 -0.59 0.11 115.15 123.23 2kvs h HIS 77 Ca -0.04 0.00 -0.11 0.00 0.71 0.00 0.00 60.37 60.93 2kvs h HIS 77 Cb 1.11 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 31.02 2kvs h HIS 77 CO 0.13 0.04 -0.55 1.25 0.71 0.00 0.00 177.93 179.51 2kvs h HIS 78 N 0.00 0.00 -2.76 5.26 2.76 0.03 -3.50 115.15 116.94 2kvs h HIS 78 Ca -0.00 0.00 0.30 0.00 -2.20 0.00 0.00 60.37 58.47 2kvs h HIS 78 Cb 0.08 0.00 -0.08 0.00 1.55 0.00 0.00 27.41 28.96 2kvs h HIS 78 CO 0.00 0.55 -0.40 0.72 -1.30 0.00 0.00 177.93 177.50 2kvs n HIS 79 N -3.29 -3.25 -1.98 5.26 8.25 0.02 -5.09 115.22 115.14 2kvs n HIS 79 Ca 0.01 1.38 0.00 0.00 -0.26 0.00 0.00 57.72 58.85 2kvs n HIS 79 Cb 0.72 -2.51 0.00 0.00 1.12 0.00 0.00 29.99 29.32 2kvs n HIS 79 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59