#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kvs n ALA 2 N 0.00 0.16 -2.80 -5.12 0.00 -1.26 -5.19 120.51 106.30 2kvs n ALA 2 Ca 0.00 -0.71 -0.09 0.00 0.00 0.00 0.00 53.44 52.64 2kvs n ALA 2 Cb 0.00 0.57 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 2kvs n ALA 2 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2kvs s GLY 3 N -1.87 0.24 -0.56 0.00 0.00 -1.26 -5.12 107.32 98.74 2kvs s GLY 3 Ca 0.14 -0.63 -0.18 0.00 0.00 0.00 0.00 44.72 44.05 2kvs s GLY 3 CO 0.10 -0.73 0.64 0.51 0.00 0.00 0.00 173.10 173.62 2kvs s ASP 4 N -1.82 6.19 0.27 1.64 -4.77 -1.26 -4.92 116.67 112.01 2kvs s ASP 4 Ca -0.10 -1.44 0.14 0.00 -3.30 0.00 0.00 52.55 47.85 2kvs s ASP 4 Cb -0.05 -2.27 0.22 0.00 -1.09 0.00 0.00 42.92 39.72 2kvs s ASP 4 CO -0.03 -1.01 1.51 1.55 0.70 0.00 0.00 175.17 177.89 2kvs h PRO 5 N 9.08 0.00 -1.41 2.11 0.13 -2.00 -3.47 132.00 136.44 2kvs h PRO 5 Ca -0.29 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.52 2kvs h PRO 5 Cb 1.09 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.10 2kvs h PRO 5 CO 1.06 0.58 -0.30 -1.33 -0.23 0.00 0.00 178.00 177.78 2kvs n MET 6 N -3.39 -1.39 0.00 0.86 2.81 -1.26 -4.81 117.12 109.94 2kvs n MET 6 Ca 0.01 0.91 0.00 0.00 -1.81 0.00 0.00 57.70 56.81 2kvs n MET 6 Cb 0.70 -5.22 0.00 0.00 -0.71 0.00 0.00 33.22 27.99 2kvs n MET 6 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2kvs n THR 7 N -2.15 0.39 0.04 2.03 -2.24 -1.26 -0.81 114.28 110.28 2kvs n THR 7 Ca -0.16 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 61.62 2kvs n THR 7 Cb 0.52 -0.63 -0.00 0.00 -2.10 0.00 0.00 70.33 68.12 2kvs n THR 7 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2kvs n PHE 8 N 0.43 0.00 0.28 4.78 7.35 -1.26 -4.74 117.46 124.30 2kvs n PHE 8 Ca 0.00 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.81 2kvs n PHE 8 Cb 0.27 -0.01 0.77 0.00 0.35 0.00 0.00 39.48 40.87 2kvs n PHE 8 CO 0.00 0.00 0.00 -0.92 -0.76 0.00 0.00 176.76 175.08 2kvs h TYR 9 N -0.02 0.00 -0.99 -5.13 3.20 -1.94 -2.51 116.97 109.58 2kvs h TYR 9 Ca 0.00 0.00 0.11 0.00 3.14 0.00 0.00 58.73 61.98 2kvs h TYR 9 Cb 0.02 0.00 -0.08 0.00 1.54 0.00 0.00 36.73 38.21 2kvs h TYR 9 CO -0.01 0.03 0.63 -0.97 -1.64 0.00 0.00 178.16 176.20 2kvs h ASN 10 N 0.00 0.93 0.15 -2.11 -1.24 -1.27 0.51 115.58 112.56 2kvs h ASN 10 Ca -0.00 0.04 -0.01 0.00 0.71 0.00 0.00 56.30 57.04 2kvs h ASN 10 Cb 0.06 -0.15 0.00 0.00 0.73 0.00 0.00 38.32 38.96 2kvs h ASN 10 CO 0.00 0.52 -0.07 0.15 -1.29 0.00 0.00 177.43 176.74 2kvs h PHE 11 N 1.01 -0.18 -0.00 0.67 3.57 -1.71 -3.26 116.94 117.04 2kvs h PHE 11 Ca 0.48 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.97 2kvs h PHE 11 Cb 0.43 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.24 2kvs h PHE 11 CO -0.00 0.19 -0.05 1.51 -2.23 0.00 0.00 178.31 177.73 2kvs n ILE 12 N -5.00 0.00 -1.74 1.41 0.13 -1.01 -4.87 119.36 108.28 2kvs n ILE 12 Ca -0.09 -0.04 -0.40 0.00 -1.10 0.00 0.00 62.75 61.12 2kvs n ILE 12 Cb 0.24 -0.26 0.02 0.00 -0.84 0.00 0.00 39.64 38.80 2kvs n ILE 12 CO 0.00 0.00 0.00 0.80 2.80 0.00 0.00 176.55 180.15 2kvs n MET 13 N -0.98 2.05 0.00 9.51 1.56 0.18 -2.18 117.12 127.25 2kvs n MET 13 Ca 0.17 0.73 0.00 0.00 -0.27 0.00 0.00 57.70 58.33 2kvs n MET 13 Cb 0.23 -2.54 0.00 0.00 2.15 0.00 0.00 33.22 33.06 2kvs n MET 13 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 2kvs n GLY 14 N 0.69 2.96 0.25 -5.12 0.00 -1.26 -4.79 105.19 97.92 2kvs n GLY 14 Ca 0.07 -0.81 0.13 0.00 0.00 0.00 0.00 46.02 45.40 2kvs n GLY 14 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2kvs h PHE 15 N 0.00 0.00 0.00 1.61 -1.00 -1.80 -3.35 116.94 112.40 2kvs h PHE 15 Ca 0.00 0.00 -0.52 0.00 2.81 0.00 0.00 57.97 60.26 2kvs h PHE 15 Cb 0.00 0.00 0.04 0.00 3.61 0.00 0.00 35.95 39.60 2kvs h PHE 15 CO 0.00 0.12 2.29 0.94 -1.61 0.00 0.00 178.31 180.05 2kvs n GLN 16 N -3.29 1.54 0.00 1.51 0.00 -1.25 -2.08 117.38 113.81 2kvs n GLN 16 Ca 0.00 -1.60 0.00 0.00 -0.00 0.00 0.00 57.00 55.40 2kvs n GLN 16 Cb 0.36 -2.69 0.00 0.00 0.00 0.00 0.00 30.24 27.91 2kvs n GLN 16 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 2kvs n ASN 17 N 6.32 0.00 -4.87 1.69 5.15 -1.26 -4.97 115.26 117.33 2kvs n ASN 17 Ca 0.45 0.00 -0.35 0.00 -0.60 0.00 0.00 54.58 54.08 2kvs n ASN 17 Cb 0.29 0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.49 2kvs n ASN 17 CO 0.00 0.00 0.00 -1.81 1.40 0.00 0.00 177.26 176.85 2kvs s ASP 18 N 0.00 6.59 -1.26 1.20 1.11 -0.88 -5.02 116.67 118.40 2kvs s ASP 18 Ca 0.00 0.70 -0.17 0.00 0.18 0.00 0.00 52.55 53.25 2kvs s ASP 18 Cb 0.00 -2.14 0.09 0.00 1.07 0.00 0.00 42.92 41.94 2kvs s ASP 18 CO 0.00 0.22 1.65 0.20 1.18 0.00 0.00 175.17 178.42 2kvs s ASN 19 N -1.69 6.86 0.12 0.27 0.01 -1.26 -4.37 114.94 114.88 2kvs s ASN 19 Ca 0.30 -2.50 0.04 0.00 -0.71 0.00 0.00 52.86 49.99 2kvs s ASN 19 Cb -0.14 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.94 2kvs s ASN 19 CO 0.17 -1.10 -0.09 0.42 -1.51 0.00 0.00 177.10 174.98 2kvs s THR 20 N 3.71 0.97 0.54 1.60 -4.23 -1.26 -4.98 115.64 112.00 2kvs s THR 20 Ca 0.51 -1.90 0.31 0.00 -1.18 0.00 0.00 61.69 59.43 2kvs s THR 20 Cb 0.02 -1.66 0.47 0.00 1.34 0.00 0.00 72.50 72.67 2kvs s THR 20 CO 0.05 -0.72 1.89 -0.65 -0.54 0.00 0.00 174.62 174.64 2kvs h PRO 21 N 3.06 0.00 0.20 3.99 0.11 -1.97 0.19 132.00 137.59 2kvs h PRO 21 Ca -0.36 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.43 2kvs h PRO 21 Cb 1.18 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.32 2kvs h PRO 21 CO 0.61 0.00 -1.44 0.74 -0.21 0.00 0.00 178.00 177.70 2kvs h PHE 22 N 0.00 0.78 -0.59 0.65 -1.00 -1.94 -3.32 116.94 111.53 2kvs h PHE 22 Ca 0.39 -0.57 -0.02 0.00 2.81 0.00 0.00 57.97 60.59 2kvs h PHE 22 Cb 1.63 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 41.13 2kvs h PHE 22 CO 0.00 1.48 0.30 0.78 -1.61 0.00 0.00 178.31 179.25 2kvs h GLY 23 N 0.75 0.88 0.47 -1.45 0.00 -0.92 -1.51 103.07 101.29 2kvs h GLY 23 Ca -0.23 -0.40 0.06 0.00 0.00 0.00 0.00 47.33 46.76 2kvs h GLY 23 CO 0.24 0.38 -0.04 -2.22 0.00 0.00 0.00 176.54 174.90 2kvs h ILE 24 N 0.83 0.74 0.12 2.60 2.04 -1.08 0.17 117.51 122.94 2kvs h ILE 24 Ca 0.21 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 66.05 2kvs h ILE 24 Cb 0.06 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 36.84 2kvs h ILE 24 CO -0.03 0.01 -0.06 0.25 0.00 0.00 0.00 178.15 178.32 2kvs h LEU 25 N 0.04 -0.14 -0.86 1.44 7.12 -1.57 -1.09 115.31 120.26 2kvs h LEU 25 Ca 0.14 -0.09 0.16 0.00 0.13 0.00 0.00 57.88 58.23 2kvs h LEU 25 Cb 0.20 0.04 -0.10 0.00 -0.53 0.00 0.00 40.66 40.27 2kvs h LEU 25 CO -0.27 -0.00 0.42 0.00 -0.13 0.00 0.00 178.44 178.46 2kvs h ALA 26 N 0.59 1.31 -0.35 1.25 0.00 -1.02 0.14 119.26 121.18 2kvs h ALA 26 Ca -0.02 0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 2kvs h ALA 26 Cb 0.22 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 2kvs h ALA 26 CO 0.03 -0.15 -0.40 1.49 0.00 0.00 0.00 179.25 180.22 2kvs h GLU 27 N 0.57 0.89 -0.00 0.00 4.81 -0.80 -3.03 114.58 117.01 2kvs h GLU 27 Ca 0.48 -0.49 -0.16 0.00 -0.13 0.00 0.00 59.36 59.06 2kvs h GLU 27 Cb 0.74 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 2kvs h GLU 27 CO -0.40 1.13 -0.77 1.25 -0.73 0.00 0.00 179.01 179.49 2kvs h HIS 28 N 0.69 0.03 0.00 0.92 2.76 -0.13 -2.95 115.15 116.46 2kvs h HIS 28 Ca 0.05 -0.02 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 2kvs h HIS 28 Cb 0.99 -0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.95 2kvs h HIS 28 CO 0.07 0.78 -0.10 -0.39 -1.30 0.00 0.00 177.93 176.99 2kvs h VAL 29 N 0.01 0.18 -0.62 5.26 -1.51 -1.07 -3.02 116.25 115.48 2kvs h VAL 29 Ca -0.01 -1.11 -0.07 0.00 -1.23 0.00 0.00 66.70 64.27 2kvs h VAL 29 Cb 1.36 1.96 -0.04 0.00 -2.13 0.00 0.00 31.29 32.43 2kvs h VAL 29 CO 0.10 0.09 0.10 -0.24 -1.23 0.00 0.00 177.57 176.39 2kvs n SER 30 N -3.14 5.30 0.05 4.19 2.88 -1.13 -4.51 113.62 117.26 2kvs n SER 30 Ca 0.03 -3.00 -0.16 0.00 -1.33 0.00 0.00 58.87 54.41 2kvs n SER 30 Cb 0.51 -0.70 -0.07 0.00 -0.75 0.00 0.00 64.21 63.20 2kvs n SER 30 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 2kvs h GLU 31 N 3.42 0.56 0.00 -1.46 4.81 -1.39 -3.47 114.58 117.05 2kvs h GLU 31 Ca 0.09 -0.59 0.00 0.00 -0.13 0.00 0.00 59.36 58.74 2kvs h GLU 31 Cb 2.07 0.16 0.00 0.00 0.63 0.00 0.00 28.75 31.61 2kvs h GLU 31 CO 0.57 1.21 0.00 -3.47 -0.73 0.00 0.00 179.01 176.58 2kvs n ASP 32 N -3.81 0.99 -0.31 1.04 2.03 -1.26 -5.01 116.55 110.23 2kvs n ASP 32 Ca -0.08 -0.67 0.20 0.00 0.52 0.00 0.00 54.79 54.76 2kvs n ASP 32 Cb 0.85 0.00 0.47 0.00 -0.72 0.00 0.00 41.12 41.72 2kvs n ASP 32 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2kvs h LYS 33 N 0.00 0.46 -1.09 -0.67 1.57 -1.94 -3.46 116.57 111.43 2kvs h LYS 33 Ca 0.00 -0.03 -0.29 0.00 -1.87 0.00 0.00 60.65 58.46 2kvs h LYS 33 Cb 0.00 -0.10 -0.09 0.00 0.08 0.00 0.00 32.23 32.12 2kvs h LYS 33 CO 0.00 0.30 -0.30 0.00 -0.57 0.00 0.00 179.45 178.89 2kvs n ALA 34 N -2.45 -0.28 -1.98 3.86 0.00 -1.26 -4.99 120.51 113.41 2kvs n ALA 34 Ca 0.23 0.20 -0.41 0.00 0.00 0.00 0.00 53.44 53.46 2kvs n ALA 34 Cb 0.77 -1.60 -0.04 0.00 0.00 0.00 0.00 19.45 18.57 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 -2.59 3.70 0.46 0.00 0.08 -1.26 -5.02 117.98 113.35 2kvs s PHE 35 Ca 0.00 1.71 -0.23 0.00 0.12 0.00 0.00 56.93 58.53 2kvs s PHE 35 Cb 0.00 -3.19 -0.07 0.00 -0.57 0.00 0.00 43.02 39.19 2kvs s PHE 35 CO 0.00 -0.27 1.17 -1.25 -0.10 0.00 0.00 175.22 174.77 2kvs s PRO 36 N -0.67 3.74 -0.04 0.24 0.04 -1.26 -5.01 135.00 132.04 2kvs s PRO 36 Ca 0.46 1.79 -0.07 0.00 0.04 0.00 0.00 61.00 63.23 2kvs s PRO 36 Cb -0.28 -2.40 -0.02 0.00 0.04 0.00 0.00 34.50 31.83 2kvs s PRO 36 CO 0.35 -0.57 -0.13 0.54 0.04 0.00 0.00 177.00 177.23 2kvs n ARG 37 N -0.50 0.19 0.00 4.56 5.12 -1.26 -4.99 116.66 119.79 2kvs n ARG 37 Ca 0.07 0.08 0.00 0.00 -1.93 0.00 0.00 57.85 56.07 2kvs n ARG 37 Cb 0.48 -0.76 0.00 0.00 -1.16 0.00 0.00 32.46 31.01 2kvs n ARG 37 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2kvs n LEU 38 N -3.44 0.00 -4.57 0.55 0.00 -1.26 -5.07 117.00 103.21 2kvs n LEU 38 Ca -0.05 -0.04 -0.34 0.00 0.00 0.00 0.00 56.01 55.58 2kvs n LEU 38 Cb 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.57 2kvs n LEU 38 CO 0.08 0.23 1.59 -1.61 0.00 0.00 0.00 177.39 177.68 2kvs s GLU 39 N 0.00 3.11 -0.17 1.96 8.01 -1.26 -4.70 118.70 125.66 2kvs s GLU 39 Ca 0.00 -1.19 -0.18 0.00 0.01 0.00 0.00 54.97 53.61 2kvs s GLU 39 Cb 0.00 -5.31 -0.14 0.00 -4.31 0.00 0.00 34.13 24.37 2kvs s GLU 39 CO 0.00 -3.06 0.17 1.49 0.01 0.00 0.00 175.26 173.87 2kvs h GLU 40 N 9.50 0.00 -7.08 1.61 4.22 -2.00 -3.47 114.58 117.36 2kvs h GLU 40 Ca 0.25 0.00 -0.48 0.00 0.08 0.00 0.00 59.36 59.21 2kvs h GLU 40 Cb 0.95 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.23 2kvs h GLU 40 CO 1.32 0.65 0.39 1.03 -2.18 0.00 0.00 179.01 180.22 2kvs s ARG 41 N -2.24 3.72 0.05 1.92 1.81 -1.26 -4.99 118.95 117.95 2kvs s ARG 41 Ca -0.21 1.38 0.22 0.00 -1.72 0.00 0.00 55.73 55.40 2kvs s ARG 41 Cb 0.03 -2.08 -0.18 0.00 -0.45 0.00 0.00 34.95 32.27 2kvs s ARG 41 CO 0.46 -0.51 0.74 0.72 -0.68 0.00 0.00 175.30 176.03 2kvs n HIS 42 N -1.07 0.33 -0.16 -0.53 8.25 -1.26 -4.35 115.22 116.44 2kvs n HIS 42 Ca 0.10 0.10 -0.10 0.00 -0.26 0.00 0.00 57.72 57.55 2kvs n HIS 42 Cb 0.52 -0.61 -0.01 0.00 1.12 0.00 0.00 29.99 31.01 2kvs n HIS 42 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 2kvs h GLN 43 N 0.00 0.83 -0.18 -0.41 -0.00 -1.95 -2.72 115.11 110.68 2kvs h GLN 43 Ca 0.00 -0.29 0.05 0.00 -0.00 0.00 0.00 58.65 58.41 2kvs h GLN 43 Cb 0.95 -0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.36 2kvs h GLN 43 CO 0.00 0.91 0.23 -0.39 0.00 0.00 0.00 178.83 179.58 2kvs h VAL 44 N 0.67 0.37 0.00 2.39 -1.51 -2.01 -0.42 116.25 115.73 2kvs h VAL 44 Ca 0.12 0.00 -0.04 0.00 -1.23 0.00 0.00 66.70 65.55 2kvs h VAL 44 Cb 0.56 0.81 -0.01 0.00 -2.13 0.00 0.00 31.29 30.53 2kvs h VAL 44 CO 0.03 0.00 -0.21 0.40 -1.23 0.00 0.00 177.57 176.57 2kvs h ILE 45 N 0.00 1.12 -0.37 7.19 1.08 -1.72 -2.10 117.51 122.70 2kvs h ILE 45 Ca 0.08 -0.71 0.01 0.00 -0.39 0.00 0.00 64.86 63.85 2kvs h ILE 45 Cb 0.55 1.39 -0.02 0.00 -3.07 0.00 0.00 36.82 35.66 2kvs h ILE 45 CO -0.00 0.20 0.23 -0.09 -0.69 0.00 0.00 178.15 177.80 2kvs h ARG 46 N 0.00 0.45 -0.16 2.37 2.43 -1.21 -2.80 114.38 115.46 2kvs h ARG 46 Ca -0.00 -0.03 -0.18 0.00 -0.81 0.00 0.00 59.98 58.97 2kvs h ARG 46 Cb 0.37 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2kvs h ARG 46 CO 0.03 0.30 -0.62 0.00 -1.51 0.00 0.00 179.97 178.17 2kvs h ALA 47 N 1.16 0.61 -0.35 2.80 0.00 -1.62 -3.22 119.26 118.64 2kvs h ALA 47 Ca 0.14 -0.54 0.08 0.00 0.00 0.00 0.00 54.91 54.59 2kvs h ALA 47 Cb -0.01 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 2kvs h ALA 47 CO -0.06 0.71 -0.19 -0.92 0.00 0.00 0.00 179.25 178.79 2kvs h TYR 48 N 0.42 -0.49 0.00 0.00 3.20 -1.13 -1.81 116.97 117.17 2kvs h TYR 48 Ca -0.01 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.83 2kvs h TYR 48 Cb 1.18 0.27 -0.01 0.00 1.54 0.00 0.00 36.73 39.71 2kvs h TYR 48 CO 0.05 -0.27 -0.37 -0.39 -1.64 0.00 0.00 178.16 175.54 2kvs h VAL 49 N -0.14 0.82 0.00 1.81 -1.51 -1.62 -2.90 116.25 112.72 2kvs h VAL 49 Ca 0.18 -1.56 -0.01 0.00 -1.23 0.00 0.00 66.70 64.08 2kvs h VAL 49 Cb 0.41 1.98 -0.00 0.00 -2.13 0.00 0.00 31.29 31.55 2kvs h VAL 49 CO -0.44 0.36 -0.04 0.24 -1.23 0.00 0.00 177.57 176.47 2kvs h MET 50 N 0.00 0.00 0.00 5.19 2.86 -1.34 0.15 114.93 121.79 2kvs h MET 50 Ca -0.00 0.00 -0.34 0.00 -2.06 0.00 0.00 59.70 57.30 2kvs h MET 50 Cb 0.95 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.55 2kvs h MET 50 CO 0.05 0.04 -2.11 0.45 1.06 0.00 0.00 176.91 176.39 2kvs n SER 51 N -3.29 0.35 -0.11 1.22 2.88 -1.11 -4.69 113.62 108.88 2kvs n SER 51 Ca -0.02 0.17 -0.23 0.00 -1.33 0.00 0.00 58.87 57.46 2kvs n SER 51 Cb 0.18 0.57 -0.11 0.00 -0.75 0.00 0.00 64.21 64.10 2kvs n SER 51 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2kvs n ASN 52 N -2.87 1.98 -4.87 -3.46 3.02 -1.05 -4.99 115.26 103.02 2kvs n ASN 52 Ca -0.26 0.16 -0.35 0.00 -0.03 0.00 0.00 54.58 54.10 2kvs n ASN 52 Cb 1.11 -0.70 -0.05 0.00 -0.61 0.00 0.00 39.78 39.52 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 -2.50 3.60 -0.13 3.10 2.02 0.49 -5.00 117.35 118.94 2kvs s TYR 53 Ca -0.34 0.77 0.04 0.00 -0.37 0.00 0.00 57.07 57.17 2kvs s TYR 53 Cb 0.10 -2.14 -0.11 0.00 -0.40 0.00 0.00 41.96 39.42 2kvs s TYR 53 CO 0.58 0.56 -0.06 0.25 -1.57 0.00 0.00 175.55 175.31 2kvs n THR 54 N 1.10 0.79 -1.96 -0.71 -2.24 -1.26 -4.71 114.28 105.30 2kvs n THR 54 Ca -0.10 -0.37 -0.42 0.00 -2.27 0.00 0.00 64.05 60.90 2kvs n THR 54 Cb 0.52 -0.89 -0.03 0.00 -2.10 0.00 0.00 70.33 67.83 2kvs n THR 54 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2kvs s ASP 55 N -4.99 6.62 0.28 3.42 1.11 -1.26 -4.90 116.67 116.95 2kvs s ASP 55 Ca -0.14 2.51 0.00 0.00 0.18 0.00 0.00 52.55 55.10 2kvs s ASP 55 Cb 0.04 -2.58 0.51 0.00 1.07 0.00 0.00 42.92 41.97 2kvs s ASP 55 CO 0.37 -0.84 1.87 0.45 1.18 0.00 0.00 175.17 178.20 2kvs h HIS 56 N 7.65 1.13 0.00 4.23 3.86 -1.98 0.51 115.15 130.55 2kvs h HIS 56 Ca -0.42 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 58.78 2kvs h HIS 56 Cb 1.20 -0.37 -0.00 0.00 1.06 0.00 0.00 27.41 29.30 2kvs h HIS 56 CO 0.72 0.53 -0.16 1.96 0.86 0.00 0.00 177.93 181.83 2kvs h GLN 57 N 1.06 0.00 0.00 2.45 7.50 -1.91 0.21 115.11 124.42 2kvs h GLN 57 Ca 0.45 0.00 -0.23 0.00 0.50 0.00 0.00 58.65 59.38 2kvs h GLN 57 Cb 0.33 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 27.82 2kvs h GLN 57 CO -0.21 0.16 -1.26 -0.07 -1.50 0.00 0.00 178.83 175.96 2kvs h LEU 58 N 0.00 0.00 0.10 1.46 3.38 -1.29 -3.30 115.31 115.65 2kvs h LEU 58 Ca -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2kvs h LEU 58 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2kvs h LEU 58 CO 0.02 0.90 -0.05 0.40 0.09 0.00 0.00 178.44 179.81 2kvs h ILE 59 N 0.00 0.00 0.60 1.22 2.04 -0.32 -3.35 117.51 117.70 2kvs h ILE 59 Ca -0.13 -0.42 -0.03 0.00 1.00 0.00 0.00 64.86 65.28 2kvs h ILE 59 Cb 1.80 0.00 0.01 0.00 -0.74 0.00 0.00 36.82 37.89 2kvs h ILE 59 CO 0.09 0.00 -0.29 -0.08 0.00 0.00 0.00 178.15 177.88 2kvs h GLU 60 N -0.55 -0.78 -0.90 2.37 4.81 -1.20 -3.07 114.58 115.27 2kvs h GLU 60 Ca -0.01 0.05 0.24 0.00 -0.13 0.00 0.00 59.36 59.51 2kvs h GLU 60 Cb 0.10 0.18 -0.16 0.00 0.63 0.00 0.00 28.75 29.50 2kvs h GLU 60 CO 0.02 -0.50 0.11 1.15 -0.73 0.00 0.00 179.01 179.07 2kvs h THR 61 N -0.86 0.20 0.61 0.32 2.02 -1.75 0.43 112.91 113.88 2kvs h THR 61 Ca -0.08 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.04 2kvs h THR 61 Cb 0.64 0.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 2kvs h THR 61 CO 0.14 0.02 -0.33 0.74 0.37 0.00 0.00 175.52 176.45 2kvs h THR 62 N 0.10 0.00 0.00 3.16 2.02 -1.67 -0.52 112.91 116.00 2kvs h THR 62 Ca 0.55 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.73 2kvs h THR 62 Cb 1.11 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.52 2kvs h THR 62 CO -0.76 0.00 0.00 -0.46 0.37 0.00 0.00 175.52 174.67 2kvs n ASN 63 N -4.47 0.35 0.06 4.18 0.23 -0.69 -2.53 115.26 112.39 2kvs n ASN 63 Ca -0.11 0.57 -0.22 0.00 -0.53 0.00 0.00 54.58 54.30 2kvs n ASN 63 Cb 0.35 -0.65 -0.15 0.00 -2.08 0.00 0.00 39.78 37.25 2kvs n ASN 63 CO 0.00 0.00 0.00 -0.09 -0.93 0.00 0.00 177.26 176.24 2kvs h ARG 64 N 0.00 0.35 -0.84 -3.83 2.43 -0.05 -3.34 114.38 109.11 2kvs h ARG 64 Ca 0.00 -0.60 0.04 0.00 -0.81 0.00 0.00 59.98 58.61 2kvs h ARG 64 Cb 0.36 0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 30.09 2kvs h ARG 64 CO 0.00 1.29 0.55 0.00 -1.51 0.00 0.00 179.97 180.30 2kvs h ALA 65 N 0.06 1.51 -0.92 2.80 0.00 -0.79 -1.76 119.26 120.16 2kvs h ALA 65 Ca -0.25 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 54.76 2kvs h ALA 65 Cb 1.86 -0.28 -0.07 0.00 0.00 0.00 0.00 17.79 19.30 2kvs h ALA 65 CO 0.16 0.40 0.59 0.82 0.00 0.00 0.00 179.25 181.21 2kvs h ILE 66 N 1.01 0.87 -0.78 0.00 1.08 -1.65 -2.14 117.51 115.90 2kvs h ILE 66 Ca 0.34 -0.27 0.02 0.00 -0.39 0.00 0.00 64.86 64.55 2kvs h ILE 66 Cb 0.08 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 33.79 2kvs h ILE 66 CO -0.11 0.15 0.51 -1.28 -0.69 0.00 0.00 178.15 176.73 2kvs h SER 67 N 0.80 0.86 -0.08 1.72 0.87 -1.43 -1.22 113.55 115.08 2kvs h SER 67 Ca 0.46 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 61.01 2kvs h SER 67 Cb 0.62 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 2kvs h SER 67 CO -0.22 0.61 0.01 -0.07 -0.53 0.00 0.00 176.83 176.63 2kvs h LEU 68 N 1.02 -0.01 0.48 2.23 -0.00 -1.43 0.27 115.31 117.86 2kvs h LEU 68 Ca 0.30 0.01 -0.02 0.00 -0.00 0.00 0.00 57.88 58.17 2kvs h LEU 68 Cb -0.06 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.63 2kvs h LEU 68 CO -0.08 0.01 -0.23 1.88 -0.00 0.00 0.00 178.44 180.01 2kvs h TYR 69 N 0.04 -0.60 -0.64 1.13 0.05 -1.47 -2.39 116.97 113.09 2kvs h TYR 69 Ca 0.04 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.81 2kvs h TYR 69 Cb 0.03 0.20 -0.03 0.00 1.01 0.00 0.00 36.73 37.94 2kvs h TYR 69 CO -0.11 -0.32 0.42 0.52 -1.05 0.00 0.00 178.16 177.61 2kvs h MET 70 N -0.74 0.82 -0.58 4.88 2.86 -1.16 0.79 114.93 121.79 2kvs h MET 70 Ca -0.07 -0.05 -0.05 0.00 -2.06 0.00 0.00 59.70 57.48 2kvs h MET 70 Cb 0.54 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.99 2kvs h MET 70 CO 0.11 0.54 0.19 0.00 1.06 0.00 0.00 176.91 178.81 2kvs h ALA 71 N 1.25 0.77 -0.05 6.32 0.00 -0.98 -1.73 119.26 124.83 2kvs h ALA 71 Ca 0.24 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2kvs h ALA 71 Cb -0.07 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.49 2kvs h ALA 71 CO -0.06 0.43 -0.10 -0.97 0.00 0.00 0.00 179.25 178.54 2kvs h ASN 72 N 0.82 0.18 -0.34 0.00 -0.73 -1.12 -3.11 115.58 111.28 2kvs h ASN 72 Ca 0.19 -0.57 0.03 0.00 1.87 0.00 0.00 56.30 57.82 2kvs h ASN 72 Cb 0.28 -0.05 -0.03 0.00 0.27 0.00 0.00 38.32 38.79 2kvs h ASN 72 CO -0.01 0.71 0.15 0.25 -0.37 0.00 0.00 177.43 178.16 2kvs h LEU 73 N -0.35 0.19 -1.12 0.34 7.12 -0.83 0.20 115.31 120.85 2kvs h LEU 73 Ca 0.00 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.03 2kvs h LEU 73 Cb 0.68 -0.01 -0.04 0.00 -0.53 0.00 0.00 40.66 40.77 2kvs h LEU 73 CO 0.02 0.15 0.46 1.05 -0.13 0.00 0.00 178.44 179.99 2kvs h GLU 74 N 0.31 1.06 0.00 1.25 4.11 -1.41 0.11 114.58 120.01 2kvs h GLU 74 Ca 0.15 -0.10 -0.03 0.00 0.07 0.00 0.00 59.36 59.45 2kvs h GLU 74 Cb 0.09 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 2kvs h GLU 74 CO -0.13 0.75 -0.56 0.45 0.07 0.00 0.00 179.01 179.60 2kvs h HIS 75 N 1.08 0.00 0.07 2.06 3.86 -1.38 0.24 115.15 121.09 2kvs h HIS 75 Ca 0.28 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.34 2kvs h HIS 75 Cb -0.03 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.46 2kvs h HIS 75 CO 0.00 0.12 -0.65 1.25 0.86 0.00 0.00 177.93 179.52 2kvs h HIS 76 N 0.00 0.51 0.04 2.45 -0.00 -0.18 -3.35 115.15 114.62 2kvs h HIS 76 Ca -0.02 -0.33 -0.00 0.00 -0.00 0.00 0.00 60.37 60.02 2kvs h HIS 76 Cb 1.11 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 28.48 2kvs h HIS 76 CO 0.00 1.21 -0.02 1.25 -0.00 0.00 0.00 177.93 180.37 2kvs h HIS 77 N -0.33 -0.05 -3.98 5.26 6.17 -0.88 -3.50 115.15 117.84 2kvs h HIS 77 Ca -0.10 -0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.98 2kvs h HIS 77 Cb 1.44 0.02 0.00 0.00 2.52 0.00 0.00 27.41 31.39 2kvs h HIS 77 CO 0.18 0.47 -0.33 1.58 0.71 0.00 0.00 177.93 180.54 2kvs n HIS 78 N -4.86 -1.67 0.00 5.26 -0.00 0.86 -5.00 115.22 109.81 2kvs n HIS 78 Ca -0.09 1.00 0.00 0.00 0.46 0.00 0.00 57.72 59.09 2kvs n HIS 78 Cb 0.27 -1.83 0.00 0.00 -0.12 0.00 0.00 29.99 28.32 2kvs n HIS 78 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kvs n HIS 79 N 1.85 0.00 0.71 1.57 -0.00 -1.26 -5.07 115.22 113.01 2kvs n HIS 79 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.72 57.80 2kvs n HIS 79 Cb 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 29.99 30.06 2kvs n HIS 79 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92