#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 3.59 0.39 -5.12 0.00 -1.26 -5.10 121.76 114.26 2kvs s ALA 2 Ca 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 51.96 51.68 2kvs s ALA 2 Cb 0.00 -2.40 0.06 0.00 0.00 0.00 0.00 23.12 20.78 2kvs s ALA 2 CO 0.00 0.52 0.46 0.41 0.00 0.00 0.00 175.76 177.14 2kvs n GLY 3 N -0.14 1.53 2.20 0.00 0.00 -1.26 -4.98 105.19 102.54 2kvs n GLY 3 Ca 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 43.90 2kvs n GLY 3 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kvs n ASP 4 N -2.75 -8.90 -1.45 1.61 2.03 -1.26 -4.81 116.55 101.02 2kvs n ASP 4 Ca 0.09 1.66 0.00 0.00 0.52 0.00 0.00 54.79 57.06 2kvs n ASP 4 Cb 0.31 -4.85 0.00 0.00 -0.72 0.00 0.00 41.12 35.86 2kvs n ASP 4 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 2kvs n PRO 5 N 1.69 0.97 -2.81 -0.67 -0.02 -1.26 -4.74 135.00 128.15 2kvs n PRO 5 Ca 0.00 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.28 2kvs n PRO 5 Cb 0.00 -1.01 0.02 0.00 -0.02 0.00 0.00 33.50 32.49 2kvs n PRO 5 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2kvs n MET 6 N 1.38 -3.77 0.04 -0.52 2.81 -1.26 -4.91 117.12 110.89 2kvs n MET 6 Ca 0.00 0.84 -0.11 0.00 -1.81 0.00 0.00 57.70 56.62 2kvs n MET 6 Cb 0.49 -5.48 -0.05 0.00 -0.71 0.00 0.00 33.22 27.47 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 -0.98 0.34 0.09 2.03 1.35 -1.99 0.10 112.91 113.85 2kvs h THR 7 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 2kvs h THR 7 Cb 1.33 0.34 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 2kvs h THR 7 CO 0.52 0.00 -0.09 0.15 -0.25 0.00 0.00 175.52 175.85 2kvs h PHE 8 N -0.42 -0.23 -0.53 4.73 3.57 -2.00 -2.82 116.94 119.25 2kvs h PHE 8 Ca 0.07 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.54 2kvs h PHE 8 Cb 0.53 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.33 2kvs h PHE 8 CO -0.34 -0.14 0.20 -0.92 -2.23 0.00 0.00 178.31 174.88 2kvs h TYR 9 N -0.20 0.76 -0.69 0.41 3.20 -1.91 -2.81 116.97 115.74 2kvs h TYR 9 Ca 0.00 -0.04 0.14 0.00 3.14 0.00 0.00 58.73 61.97 2kvs h TYR 9 Cb 0.19 -0.24 -0.10 0.00 1.54 0.00 0.00 36.73 38.12 2kvs h TYR 9 CO -0.11 0.60 0.18 -0.97 -1.64 0.00 0.00 178.16 176.22 2kvs h ASN 10 N 0.75 0.05 -0.19 -2.11 -1.24 -0.54 -2.32 115.58 109.98 2kvs h ASN 10 Ca 0.18 0.13 -0.03 0.00 0.71 0.00 0.00 56.30 57.29 2kvs h ASN 10 Cb 0.16 0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.37 2kvs h ASN 10 CO -0.02 -0.00 0.02 0.15 -1.29 0.00 0.00 177.43 176.29 2kvs h PHE 11 N 0.29 0.36 0.00 0.67 3.57 -1.45 -3.21 116.94 117.17 2kvs h PHE 11 Ca 0.38 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.83 2kvs h PHE 11 Cb 0.61 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.26 2kvs h PHE 11 CO -0.24 0.50 0.00 0.97 -2.23 0.00 0.00 178.31 177.31 2kvs h ILE 12 N 0.11 0.00 -0.99 1.41 6.09 -1.46 -3.24 117.51 119.43 2kvs h ILE 12 Ca 0.06 -0.52 0.11 0.00 -1.37 0.00 0.00 64.86 63.13 2kvs h ILE 12 Cb 0.35 1.46 -0.08 0.00 0.47 0.00 0.00 36.82 39.02 2kvs h ILE 12 CO 0.01 0.00 0.63 0.24 -3.07 0.00 0.00 178.15 175.96 2kvs h MET 13 N 0.00 0.99 -0.79 2.19 2.86 -1.43 -1.54 114.93 117.21 2kvs h MET 13 Ca 0.00 -0.06 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 2kvs h MET 13 Cb 0.58 -0.22 -0.04 0.00 0.06 0.00 0.00 31.60 31.98 2kvs h MET 13 CO 0.00 0.65 0.52 0.78 1.06 0.00 0.00 176.91 179.92 2kvs h GLY 14 N 1.02 1.11 2.00 8.32 0.00 -1.76 -1.26 103.07 112.49 2kvs h GLY 14 Ca 0.47 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.42 2kvs h GLY 14 CO -0.23 0.33 0.00 0.69 0.00 0.00 0.00 176.54 177.33 2kvs n PHE 15 N -4.45 0.82 0.08 5.60 3.01 -0.59 -2.35 117.46 119.58 2kvs n PHE 15 Ca 0.10 0.31 -0.04 0.00 1.01 0.00 0.00 57.45 58.83 2kvs n PHE 15 Cb 0.12 -1.00 -0.08 0.00 -0.01 0.00 0.00 39.48 38.51 2kvs n PHE 15 CO 0.00 0.00 0.00 0.37 1.01 0.00 0.00 176.76 178.14 2kvs h GLN 16 N 0.00 0.00 0.34 -1.08 5.75 -1.15 -3.03 115.11 115.94 2kvs h GLN 16 Ca 0.00 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.49 2kvs h GLN 16 Cb 0.40 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.94 2kvs h GLN 16 CO 0.00 0.82 -0.26 -0.97 -2.65 0.00 0.00 178.83 175.76 2kvs h ASN 17 N 0.00 -0.68 -3.19 -0.69 -0.73 -1.42 -3.38 115.58 105.48 2kvs h ASN 17 Ca -0.03 0.05 -0.59 0.00 1.87 0.00 0.00 56.30 57.61 2kvs h ASN 17 Cb 1.67 0.22 -0.07 0.00 0.27 0.00 0.00 38.32 40.41 2kvs h ASN 17 CO 0.11 -0.40 0.62 -1.81 -0.37 0.00 0.00 177.43 175.58 2kvs s ASP 18 N -4.68 6.97 -1.07 1.15 1.01 -1.26 -4.96 116.67 113.83 2kvs s ASP 18 Ca -0.16 1.21 -0.26 0.00 0.71 0.00 0.00 52.55 54.05 2kvs s ASP 18 Cb 0.06 -2.49 -0.18 0.00 1.01 0.00 0.00 42.92 41.32 2kvs s ASP 18 CO 0.64 -0.58 2.10 0.54 0.21 0.00 0.00 175.17 178.07 2kvs s ASN 19 N 1.27 3.91 0.36 0.27 4.22 -1.26 -4.56 114.94 119.15 2kvs s ASN 19 Ca 0.39 -1.03 0.09 0.00 -2.14 0.00 0.00 52.86 50.17 2kvs s ASN 19 Cb -0.15 -2.59 -0.06 0.00 1.28 0.00 0.00 41.25 39.73 2kvs s ASN 19 CO 0.07 -4.21 0.01 0.42 -2.04 0.00 0.00 177.10 171.35 2kvs s THR 20 N 15.14 2.45 0.54 0.54 -4.23 -1.26 -4.98 115.64 123.84 2kvs s THR 20 Ca 0.79 -1.98 0.23 0.00 -1.18 0.00 0.00 61.69 59.55 2kvs s THR 20 Cb -0.05 -2.82 0.35 0.00 1.34 0.00 0.00 72.50 71.32 2kvs s THR 20 CO 0.15 -0.15 2.07 1.55 -0.54 0.00 0.00 174.62 177.70 2kvs h PRO 21 N 1.80 0.00 -0.51 3.99 0.13 -1.93 0.49 132.00 135.96 2kvs h PRO 21 Ca -0.43 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.58 2kvs h PRO 21 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2kvs h PRO 21 CO 0.69 0.00 -0.16 0.74 -0.23 0.00 0.00 178.00 179.04 2kvs h PHE 22 N 0.00 1.13 -0.22 1.56 -1.00 -1.87 -2.87 116.94 113.67 2kvs h PHE 22 Ca 0.14 -0.25 -0.03 0.00 2.81 0.00 0.00 57.97 60.64 2kvs h PHE 22 Cb 0.59 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.86 2kvs h PHE 22 CO 0.00 1.07 0.01 0.78 -1.61 0.00 0.00 178.31 178.56 2kvs h GLY 23 N 0.91 0.35 0.95 -1.45 0.00 -0.80 -2.45 103.07 100.57 2kvs h GLY 23 Ca 0.13 -0.18 0.06 0.00 0.00 0.00 0.00 47.33 47.34 2kvs h GLY 23 CO 0.06 0.17 0.55 -2.22 0.00 0.00 0.00 176.54 175.10 2kvs h ILE 24 N 0.32 1.08 0.43 2.60 1.08 -1.09 0.11 117.51 122.03 2kvs h ILE 24 Ca 0.08 -0.33 -0.01 0.00 -0.39 0.00 0.00 64.86 64.20 2kvs h ILE 24 Cb 0.20 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 33.96 2kvs h ILE 24 CO 0.00 0.18 -0.27 0.25 -0.69 0.00 0.00 178.15 177.62 2kvs h LEU 25 N 0.97 -0.68 -1.72 1.44 7.12 -1.42 0.01 115.31 121.03 2kvs h LEU 25 Ca 0.36 0.04 0.04 0.00 0.13 0.00 0.00 57.88 58.45 2kvs h LEU 25 Cb 0.16 0.20 -0.02 0.00 -0.53 0.00 0.00 40.66 40.47 2kvs h LEU 25 CO -0.12 -0.43 0.26 0.00 -0.13 0.00 0.00 178.44 178.02 2kvs h ALA 26 N -0.15 1.91 0.21 1.25 0.00 -1.38 -1.48 119.26 119.62 2kvs h ALA 26 Ca -0.05 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2kvs h ALA 26 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kvs h ALA 26 CO 0.04 0.04 -0.10 1.49 0.00 0.00 0.00 179.25 180.72 2kvs h GLU 27 N 0.36 -0.27 -0.31 0.00 4.22 -0.42 -2.90 114.58 115.26 2kvs h GLU 27 Ca 0.16 0.02 -0.12 0.00 0.08 0.00 0.00 59.36 59.50 2kvs h GLU 27 Cb 0.19 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 2kvs h GLU 27 CO -0.04 0.09 -0.30 1.25 -2.18 0.00 0.00 179.01 177.83 2kvs h HIS 28 N -0.71 0.75 0.00 0.92 2.76 -0.75 -2.30 115.15 115.81 2kvs h HIS 28 Ca -0.03 -0.19 -0.04 0.00 -2.20 0.00 0.00 60.37 57.92 2kvs h HIS 28 Cb 0.49 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.27 2kvs h HIS 28 CO 0.05 0.87 -0.17 -0.39 -1.30 0.00 0.00 177.93 176.99 2kvs h VAL 29 N 0.55 0.67 0.00 5.26 -1.51 -1.37 -1.25 116.25 118.60 2kvs h VAL 29 Ca 0.07 -0.74 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 2kvs h VAL 29 Cb 0.80 1.47 0.00 0.00 -2.13 0.00 0.00 31.29 31.42 2kvs h VAL 29 CO 0.07 0.17 0.00 -1.28 -1.23 0.00 0.00 177.57 175.30 2kvs h SER 30 N 0.00 0.00 -0.10 4.19 0.87 -1.20 -3.13 113.55 114.18 2kvs h SER 30 Ca -0.00 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.46 2kvs h SER 30 Cb 0.45 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 2kvs h SER 30 CO 0.02 0.00 -0.23 -0.08 -0.53 0.00 0.00 176.83 176.01 2kvs h GLU 31 N 0.00 0.53 -7.59 2.24 4.22 -0.98 -3.44 114.58 109.56 2kvs h GLU 31 Ca 0.00 -0.20 -0.46 0.00 0.08 0.00 0.00 59.36 58.78 2kvs h GLU 31 Cb 0.70 -0.03 0.11 0.00 0.50 0.00 0.00 28.75 30.02 2kvs h GLU 31 CO 0.00 0.73 0.38 0.34 -2.18 0.00 0.00 179.01 178.27 2kvs s ASP 32 N -6.79 4.36 0.39 1.04 2.15 -1.18 -4.98 116.67 111.65 2kvs s ASP 32 Ca -0.07 0.64 0.10 0.00 0.43 0.00 0.00 52.55 53.64 2kvs s ASP 32 Cb 0.14 -1.09 0.78 0.00 -0.30 0.00 0.00 42.92 42.45 2kvs s ASP 32 CO 0.80 -1.97 1.91 0.11 -0.17 0.00 0.00 175.17 175.85 2kvs h LYS 33 N -1.06 0.24 -3.28 4.34 1.57 -1.86 -3.47 116.57 113.05 2kvs h LYS 33 Ca -0.45 -0.05 -0.39 0.00 -1.87 0.00 0.00 60.65 57.89 2kvs h LYS 33 Cb 1.31 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.60 2kvs h LYS 33 CO 0.61 0.38 -0.52 0.00 -0.57 0.00 0.00 179.45 179.34 2kvs n ALA 34 N -2.49 -0.69 -2.18 3.86 0.00 -1.26 -5.00 120.51 112.75 2kvs n ALA 34 Ca -0.01 0.20 -0.35 0.00 0.00 0.00 0.00 53.44 53.28 2kvs n ALA 34 Cb 0.27 -2.66 -0.06 0.00 0.00 0.00 0.00 19.45 17.00 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 -3.03 3.57 -0.57 0.00 0.08 -1.26 -4.99 117.98 111.78 2kvs s PHE 35 Ca 0.10 1.25 -0.26 0.00 0.12 0.00 0.00 56.93 58.14 2kvs s PHE 35 Cb -0.04 -2.53 -0.04 0.00 -0.57 0.00 0.00 43.02 39.83 2kvs s PHE 35 CO 0.13 0.30 2.12 -1.25 -0.10 0.00 0.00 175.22 176.41 2kvs s PRO 36 N -2.23 2.37 0.00 0.24 0.04 -1.26 -4.83 135.00 129.32 2kvs s PRO 36 Ca 0.44 0.95 0.00 0.00 0.04 0.00 0.00 61.00 62.43 2kvs s PRO 36 Cb -0.15 -4.49 0.00 0.00 0.04 0.00 0.00 34.50 29.90 2kvs s PRO 36 CO 0.20 -3.02 0.00 0.54 0.04 0.00 0.00 177.00 174.76 2kvs n ARG 37 N 9.10 0.00 -0.06 4.56 1.74 -1.26 -4.84 116.66 125.90 2kvs n ARG 37 Ca 0.28 0.09 0.02 0.00 -0.77 0.00 0.00 57.85 57.48 2kvs n ARG 37 Cb 0.53 -0.44 0.03 0.00 -1.02 0.00 0.00 32.46 31.57 2kvs n ARG 37 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2kvs n LEU 38 N -1.71 1.52 -1.29 0.55 7.99 -1.26 -4.84 117.00 117.95 2kvs n LEU 38 Ca 0.00 -1.78 -0.03 0.00 -0.01 0.00 0.00 56.01 54.19 2kvs n LEU 38 Cb 0.00 -0.10 0.13 0.00 -0.11 0.00 0.00 43.42 43.34 2kvs n LEU 38 CO 0.00 0.43 0.66 -0.62 -1.51 0.00 0.00 177.39 176.35 2kvs n GLU 39 N -0.57 2.16 0.20 3.23 4.71 -1.26 -4.32 120.64 124.79 2kvs n GLU 39 Ca 0.04 -1.32 0.17 0.00 -0.01 0.00 0.00 57.16 56.03 2kvs n GLU 39 Cb 0.43 -1.68 0.82 0.00 -1.01 0.00 0.00 31.44 29.99 2kvs n GLU 39 CO 0.00 0.00 0.00 1.05 0.09 0.00 0.00 177.13 178.27 2kvs h GLU 40 N 1.13 0.00 -5.16 3.49 4.11 -1.95 -3.39 114.58 112.81 2kvs h GLU 40 Ca 0.12 0.00 -0.65 0.00 0.07 0.00 0.00 59.36 58.90 2kvs h GLU 40 Cb 1.44 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.44 2kvs h GLU 40 CO 0.33 0.00 -0.70 1.03 0.07 0.00 0.00 179.01 179.74 2kvs s ARG 41 N -4.69 3.51 0.36 1.06 1.81 -1.26 -4.98 118.95 114.75 2kvs s ARG 41 Ca -0.05 -0.59 0.25 0.00 -1.72 0.00 0.00 55.73 53.63 2kvs s ARG 41 Cb 0.16 -2.93 1.28 0.00 -0.45 0.00 0.00 34.95 33.01 2kvs s ARG 41 CO 0.57 0.04 1.76 0.45 -0.68 0.00 0.00 175.30 177.44 2kvs h HIS 42 N 7.36 0.00 0.15 -0.53 3.86 -1.97 -2.63 115.15 121.38 2kvs h HIS 42 Ca -0.35 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 58.86 2kvs h HIS 42 Cb 1.18 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.65 2kvs h HIS 42 CO 0.56 0.00 -0.11 0.37 0.86 0.00 0.00 177.93 179.61 2kvs h GLN 43 N 0.00 -0.25 0.00 2.45 4.15 -1.93 -2.95 115.11 116.57 2kvs h GLN 43 Ca 0.00 0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.40 2kvs h GLN 43 Cb 0.09 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.84 2kvs h GLN 43 CO 0.00 -0.17 -0.18 -0.39 -1.93 0.00 0.00 178.83 176.17 2kvs h VAL 44 N -0.26 0.83 -0.82 2.39 -1.51 -1.84 -2.21 116.25 112.82 2kvs h VAL 44 Ca -0.01 -0.68 0.10 0.00 -1.23 0.00 0.00 66.70 64.89 2kvs h VAL 44 Cb 0.23 1.40 -0.08 0.00 -2.13 0.00 0.00 31.29 30.71 2kvs h VAL 44 CO -0.00 0.17 0.46 0.40 -1.23 0.00 0.00 177.57 177.37 2kvs h ILE 45 N 0.00 0.87 0.00 7.19 1.08 -1.60 -0.21 117.51 124.85 2kvs h ILE 45 Ca -0.00 -0.26 0.00 0.00 -0.39 0.00 0.00 64.86 64.21 2kvs h ILE 45 Cb 0.39 0.06 0.00 0.00 -3.07 0.00 0.00 36.82 34.19 2kvs h ILE 45 CO 0.02 0.14 0.00 -0.09 -0.69 0.00 0.00 178.15 177.53 2kvs h ARG 46 N 0.75 0.00 0.05 2.37 2.43 -1.42 -3.02 114.38 115.54 2kvs h ARG 46 Ca 0.41 0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 59.24 2kvs h ARG 46 Cb 0.41 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.93 2kvs h ARG 46 CO -0.27 0.00 -1.88 0.00 -1.51 0.00 0.00 179.97 176.31 2kvs n ALA 47 N -1.90 0.96 -0.26 2.80 0.00 -0.21 -4.47 120.51 117.42 2kvs n ALA 47 Ca 0.00 -0.69 0.07 0.00 0.00 0.00 0.00 53.44 52.82 2kvs n ALA 47 Cb 0.19 -0.46 0.20 0.00 0.00 0.00 0.00 19.45 19.38 2kvs n ALA 47 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2kvs h TYR 48 N -0.45 0.41 -0.58 0.00 0.05 -1.09 -0.37 116.97 114.94 2kvs h TYR 48 Ca -0.46 0.04 0.09 0.00 0.05 0.00 0.00 58.73 58.45 2kvs h TYR 48 Cb 1.71 -0.06 -0.04 0.00 1.01 0.00 0.00 36.73 39.35 2kvs h TYR 48 CO 0.06 -0.03 0.39 -0.39 -1.05 0.00 0.00 178.16 177.14 2kvs h VAL 49 N 0.35 0.92 0.00 -2.88 -1.51 -1.78 0.11 116.25 111.46 2kvs h VAL 49 Ca 0.44 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 65.76 2kvs h VAL 49 Cb 0.74 0.45 0.00 0.00 -2.13 0.00 0.00 31.29 30.35 2kvs h VAL 49 CO -0.48 0.08 0.00 0.23 -1.23 0.00 0.00 177.57 176.17 2kvs n MET 50 N -4.47 0.14 -0.06 5.19 2.81 -0.15 -1.41 117.12 119.17 2kvs n MET 50 Ca 0.09 0.24 -0.05 0.00 -1.81 0.00 0.00 57.70 56.17 2kvs n MET 50 Cb 0.34 -1.71 -0.10 0.00 -0.71 0.00 0.00 33.22 31.03 2kvs n MET 50 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2kvs n SER 51 N -1.97 1.85 -0.04 7.83 2.88 -0.16 -4.67 113.62 119.33 2kvs n SER 51 Ca 0.05 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.52 2kvs n SER 51 Cb 0.31 0.92 -0.14 0.00 -0.75 0.00 0.00 64.21 64.55 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 -2.41 0.44 -4.50 -3.46 3.02 0.20 -4.99 115.26 103.57 2kvs n ASN 52 Ca -0.18 0.21 -0.25 0.00 -0.03 0.00 0.00 54.58 54.32 2kvs n ASN 52 Cb 0.85 0.57 -0.10 0.00 -0.61 0.00 0.00 39.78 40.48 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 -2.68 2.34 -0.00 3.10 2.02 -0.50 -5.06 117.35 116.57 2kvs s TYR 53 Ca -0.07 -0.39 0.00 0.00 -0.37 0.00 0.00 57.07 56.24 2kvs s TYR 53 Cb 0.08 -1.14 -0.00 0.00 -0.40 0.00 0.00 41.96 40.50 2kvs s TYR 53 CO 0.83 0.67 0.00 0.25 -1.57 0.00 0.00 175.55 175.73 2kvs n THR 54 N -0.69 0.01 -2.50 -0.71 -2.24 -1.26 -4.62 114.28 102.27 2kvs n THR 54 Ca -0.05 -0.01 -0.37 0.00 -2.27 0.00 0.00 64.05 61.35 2kvs n THR 54 Cb 0.61 -0.88 -0.04 0.00 -2.10 0.00 0.00 70.33 67.92 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 -3.25 6.78 0.27 3.42 -1.08 -1.26 -4.93 116.67 116.62 2kvs s ASP 55 Ca -0.00 2.10 0.01 0.00 -0.52 0.00 0.00 52.55 54.14 2kvs s ASP 55 Cb 0.00 -2.59 0.36 0.00 -1.46 0.00 0.00 42.92 39.23 2kvs s ASP 55 CO 0.01 -0.48 1.72 0.45 0.52 0.00 0.00 175.17 177.38 2kvs h HIS 56 N 2.66 0.65 0.00 -5.34 3.86 -1.97 -1.35 115.15 113.65 2kvs h HIS 56 Ca -0.48 -0.13 0.00 0.00 -1.16 0.00 0.00 60.37 58.60 2kvs h HIS 56 Cb 1.22 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.52 2kvs h HIS 56 CO 0.58 0.74 0.00 1.04 0.86 0.00 0.00 177.93 181.15 2kvs n GLN 57 N -4.14 0.13 -0.10 2.45 3.00 -1.26 0.78 117.38 118.23 2kvs n GLN 57 Ca 0.00 0.39 -0.18 0.00 -0.01 0.00 0.00 57.00 57.20 2kvs n GLN 57 Cb 0.39 -1.75 -0.13 0.00 0.00 0.00 0.00 30.24 28.75 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 -1.99 2.80 -0.04 1.08 4.77 -0.89 -4.28 117.00 118.45 2kvs n LEU 58 Ca 0.02 -0.06 -0.01 0.00 -0.03 0.00 0.00 56.01 55.93 2kvs n LEU 58 Cb 0.19 -0.90 -0.00 0.00 -2.33 0.00 0.00 43.42 40.38 2kvs n LEU 58 CO 0.16 0.90 -0.07 0.40 -1.33 0.00 0.00 177.39 177.46 2kvs h ILE 59 N 0.01 0.00 -0.11 -0.08 2.04 -1.00 -3.37 117.51 115.00 2kvs h ILE 59 Ca -0.54 -0.77 -0.04 0.00 1.00 0.00 0.00 64.86 64.51 2kvs h ILE 59 Cb 1.94 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 2kvs h ILE 59 CO -0.05 0.00 -0.11 -0.08 0.00 0.00 0.00 178.15 177.91 2kvs h GLU 60 N -0.77 0.17 -0.10 2.37 4.81 0.13 -0.72 114.58 120.48 2kvs h GLU 60 Ca 0.00 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2kvs h GLU 60 Cb 0.10 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.42 2kvs h GLU 60 CO 0.00 0.30 -0.08 1.15 -0.73 0.00 0.00 179.01 179.65 2kvs h THR 61 N 0.17 0.77 -0.51 0.32 2.02 -1.72 0.10 112.91 114.06 2kvs h THR 61 Ca 0.04 0.00 -0.07 0.00 0.77 0.00 0.00 66.41 67.14 2kvs h THR 61 Cb 0.31 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 2kvs h THR 61 CO 0.02 0.00 0.03 0.74 0.37 0.00 0.00 175.52 176.68 2kvs h THR 62 N -0.09 1.26 -0.86 3.16 2.02 -1.58 -1.00 112.91 115.82 2kvs h THR 62 Ca 0.07 -1.04 0.15 0.00 0.77 0.00 0.00 66.41 66.37 2kvs h THR 62 Cb 0.19 0.93 -0.10 0.00 -1.74 0.00 0.00 68.15 67.42 2kvs h THR 62 CO -0.16 0.37 0.44 -1.13 0.37 0.00 0.00 175.52 175.41 2kvs h ASN 63 N 0.75 0.52 -0.04 4.18 -1.24 -0.76 -0.31 115.58 118.68 2kvs h ASN 63 Ca 0.15 0.10 -0.05 0.00 0.71 0.00 0.00 56.30 57.21 2kvs h ASN 63 Cb 0.48 0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.55 2kvs h ASN 63 CO 0.02 0.20 -0.17 -0.09 -1.29 0.00 0.00 177.43 176.11 2kvs h ARG 64 N 0.61 0.18 -0.41 6.67 2.43 -0.60 -3.14 114.38 120.11 2kvs h ARG 64 Ca 0.48 -0.14 0.05 0.00 -0.81 0.00 0.00 59.98 59.56 2kvs h ARG 64 Cb 0.70 0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 30.23 2kvs h ARG 64 CO -0.38 0.79 0.14 0.00 -1.51 0.00 0.00 179.97 179.01 2kvs h ALA 65 N 0.39 0.49 -0.69 2.80 0.00 -0.66 -1.23 119.26 120.35 2kvs h ALA 65 Ca -0.01 0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.97 2kvs h ALA 65 Cb 0.82 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 2kvs h ALA 65 CO 0.03 -0.25 0.45 0.82 0.00 0.00 0.00 179.25 180.30 2kvs h ILE 66 N 0.30 1.14 -0.30 0.00 1.08 -1.19 -1.17 117.51 117.37 2kvs h ILE 66 Ca 0.19 -0.31 0.04 0.00 -0.39 0.00 0.00 64.86 64.40 2kvs h ILE 66 Cb 0.19 0.16 -0.04 0.00 -3.07 0.00 0.00 36.82 34.06 2kvs h ILE 66 CO -0.20 0.16 0.07 0.28 -0.69 0.00 0.00 178.15 177.77 2kvs h SER 67 N 0.90 0.04 -0.35 1.72 0.02 -1.35 -0.83 113.55 113.70 2kvs h SER 67 Ca 0.27 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.29 2kvs h SER 67 Cb -0.05 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.52 2kvs h SER 67 CO -0.08 0.06 0.18 -0.07 -1.14 0.00 0.00 176.83 175.77 2kvs h LEU 68 N 0.19 0.26 -1.11 5.07 3.38 -0.80 -1.24 115.31 121.06 2kvs h LEU 68 Ca 0.14 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 2kvs h LEU 68 Cb 0.14 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2kvs h LEU 68 CO -0.17 0.19 0.05 1.88 0.09 0.00 0.00 178.44 180.48 2kvs h TYR 69 N 0.36 0.70 -0.08 1.13 -1.99 -0.95 0.27 116.97 116.41 2kvs h TYR 69 Ca 0.15 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.80 2kvs h TYR 69 Cb 0.05 -0.20 -0.00 0.00 2.00 0.00 0.00 36.73 38.58 2kvs h TYR 69 CO -0.10 0.63 0.01 0.52 -0.00 0.00 0.00 178.16 179.23 2kvs h MET 70 N 0.65 0.14 -0.22 4.88 2.86 -0.76 -0.01 114.93 122.46 2kvs h MET 70 Ca 0.14 -0.04 -0.09 0.00 -2.06 0.00 0.00 59.70 57.65 2kvs h MET 70 Cb 0.33 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 2kvs h MET 70 CO 0.01 0.35 -0.26 0.00 1.06 0.00 0.00 176.91 178.07 2kvs h ALA 71 N 0.78 1.14 0.38 6.32 0.00 -1.02 -1.89 119.26 124.97 2kvs h ALA 71 Ca 0.03 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 2kvs h ALA 71 Cb 0.28 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2kvs h ALA 71 CO 0.00 0.54 -0.18 -0.97 0.00 0.00 0.00 179.25 178.64 2kvs h ASN 72 N 0.38 -0.43 -0.64 0.00 -0.73 -0.39 -2.55 115.58 111.22 2kvs h ASN 72 Ca 0.06 -0.13 0.06 0.00 1.87 0.00 0.00 56.30 58.16 2kvs h ASN 72 Cb 0.66 0.11 -0.06 0.00 0.27 0.00 0.00 38.32 39.30 2kvs h ASN 72 CO 0.05 -0.08 0.34 0.25 -0.37 0.00 0.00 177.43 177.62 2kvs h LEU 73 N -0.81 0.48 0.32 0.34 7.12 -0.98 0.15 115.31 121.92 2kvs h LEU 73 Ca -0.05 0.04 -0.01 0.00 0.13 0.00 0.00 57.88 57.99 2kvs h LEU 73 Cb 0.53 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.59 2kvs h LEU 73 CO 0.08 0.30 -0.42 -0.08 -0.13 0.00 0.00 178.44 178.20 2kvs h GLU 74 N 0.62 -0.74 -0.13 1.25 4.57 -1.37 -0.37 114.58 118.41 2kvs h GLU 74 Ca 0.29 0.05 -0.07 0.00 -1.18 0.00 0.00 59.36 58.45 2kvs h GLU 74 Cb 0.22 0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.97 2kvs h GLU 74 CO -0.20 -0.50 -0.25 1.25 -1.18 0.00 0.00 179.01 178.14 2kvs h HIS 75 N -0.77 0.26 -0.67 0.92 2.76 -1.27 0.42 115.15 116.79 2kvs h HIS 75 Ca -0.04 -0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.05 2kvs h HIS 75 Cb 0.69 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.56 2kvs h HIS 75 CO -0.28 0.47 0.28 1.25 -1.30 0.00 0.00 177.93 178.35 2kvs h HIS 76 N 0.21 0.98 0.00 5.26 -0.00 -0.50 -2.05 115.15 119.05 2kvs h HIS 76 Ca 0.03 -0.06 -0.18 0.00 -0.00 0.00 0.00 60.37 60.17 2kvs h HIS 76 Cb 0.56 -0.30 -0.03 0.00 -0.00 0.00 0.00 27.41 27.64 2kvs h HIS 76 CO 0.01 0.75 -0.91 1.25 -0.00 0.00 0.00 177.93 179.02 2kvs h HIS 77 N 0.96 0.00 -1.38 5.26 -0.00 -0.55 -3.39 115.15 116.04 2kvs h HIS 77 Ca 0.23 0.00 -0.72 0.00 -0.00 0.00 0.00 60.37 59.88 2kvs h HIS 77 Cb 0.17 0.00 -0.13 0.00 -0.00 0.00 0.00 27.41 27.45 2kvs h HIS 77 CO 0.01 0.80 1.94 1.58 -0.00 0.00 0.00 177.93 182.26 2kvs n HIS 78 N -3.25 4.36 0.24 5.26 -0.00 0.14 -4.85 115.22 117.12 2kvs n HIS 78 Ca -0.01 -3.06 -0.15 0.00 -0.00 0.00 0.00 57.72 54.49 2kvs n HIS 78 Cb 0.87 -2.33 -0.08 0.00 -0.00 0.00 0.00 29.99 28.45 2kvs n HIS 78 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kvs h HIS 79 N 6.88 -0.51 -0.01 1.57 2.76 -1.78 -3.44 115.15 120.62 2kvs h HIS 79 Ca 0.40 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.56 2kvs h HIS 79 Cb 0.80 0.17 0.00 0.00 1.55 0.00 0.00 27.41 29.93 2kvs h HIS 79 CO 1.27 -0.30 0.00 1.58 -1.30 0.00 0.00 177.93 179.18