#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 3.00 -2.66 3.04 0.00 -1.26 -4.98 120.51 117.66 2kvs n ALA 2 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2kvs n ALA 2 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.46 2kvs n ALA 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kvs n GLY 3 N 1.66 3.65 3.02 0.00 0.00 -1.26 -4.91 105.19 107.35 2kvs n GLY 3 Ca 0.00 -1.91 -0.33 0.00 0.00 0.00 0.00 46.02 43.78 2kvs n GLY 3 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kvs s ASP 4 N 2.60 4.75 0.00 1.61 -1.08 -1.26 -4.39 116.67 118.90 2kvs s ASP 4 Ca 0.44 -2.95 0.26 0.00 -0.52 0.00 0.00 52.55 49.78 2kvs s ASP 4 Cb 0.02 -1.74 0.66 0.00 -1.46 0.00 0.00 42.92 40.40 2kvs s ASP 4 CO 0.01 -0.29 1.50 -0.81 0.52 0.00 0.00 175.17 176.10 2kvs n PRO 5 N 3.27 0.80 -2.01 4.34 -0.04 -1.26 -4.96 135.00 135.14 2kvs n PRO 5 Ca 0.06 -0.50 -0.18 0.00 -0.04 0.00 0.00 63.50 62.85 2kvs n PRO 5 Cb 0.35 -1.49 -0.04 0.00 -0.04 0.00 0.00 33.50 32.28 2kvs n PRO 5 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 2kvs n MET 6 N -0.67 -1.65 0.14 0.54 2.81 -1.26 -4.85 117.12 112.18 2kvs n MET 6 Ca 0.11 0.97 0.11 0.00 -1.81 0.00 0.00 57.70 57.09 2kvs n MET 6 Cb 0.36 -5.48 0.52 0.00 -0.71 0.00 0.00 33.22 27.91 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 -3.09 0.93 -0.07 2.03 -2.24 -1.26 -0.12 114.28 110.47 2kvs n THR 7 Ca -0.20 0.43 -0.04 0.00 -2.27 0.00 0.00 64.05 61.97 2kvs n THR 7 Cb 0.64 -1.39 -0.02 0.00 -2.10 0.00 0.00 70.33 67.46 2kvs n THR 7 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2kvs h PHE 8 N 0.00 0.00 -0.46 4.78 3.57 -1.98 -3.31 116.94 119.54 2kvs h PHE 8 Ca 0.00 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.54 2kvs h PHE 8 Cb 0.21 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 2kvs h PHE 8 CO 0.00 0.08 0.23 -0.92 -2.23 0.00 0.00 178.31 175.48 2kvs h TYR 9 N -1.00 0.43 -0.52 0.41 3.20 -1.88 -2.31 116.97 115.29 2kvs h TYR 9 Ca -0.02 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 2kvs h TYR 9 Cb 0.40 -0.13 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 2kvs h TYR 9 CO -0.13 0.22 0.21 -0.97 -1.64 0.00 0.00 178.16 175.85 2kvs h ASN 10 N 0.46 0.72 0.04 -2.11 -0.73 -0.76 -2.67 115.58 110.53 2kvs h ASN 10 Ca 0.20 -0.17 0.00 0.00 1.87 0.00 0.00 56.30 58.20 2kvs h ASN 10 Cb 0.10 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.50 2kvs h ASN 10 CO -0.14 0.69 -0.04 0.15 -0.37 0.00 0.00 177.43 177.72 2kvs h PHE 11 N 0.70 -0.11 -0.37 0.67 3.57 -1.57 -2.77 116.94 117.07 2kvs h PHE 11 Ca 0.17 0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 2kvs h PHE 11 Cb 0.19 0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2kvs h PHE 11 CO 0.01 -0.07 0.02 0.97 -2.23 0.00 0.00 178.31 177.01 2kvs h ILE 12 N -0.10 1.20 0.00 1.41 6.09 -1.42 -1.43 117.51 123.26 2kvs h ILE 12 Ca 0.00 -0.77 0.00 0.00 -1.37 0.00 0.00 64.86 62.72 2kvs h ILE 12 Cb 0.10 0.89 0.00 0.00 0.47 0.00 0.00 36.82 38.28 2kvs h ILE 12 CO -0.02 0.27 0.00 0.24 -3.07 0.00 0.00 178.15 175.57 2kvs h MET 13 N 0.55 0.00 0.00 2.19 2.86 -1.20 -1.80 114.93 117.53 2kvs h MET 13 Ca 0.12 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.76 2kvs h MET 13 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2kvs h MET 13 CO 0.01 0.00 0.00 0.78 1.06 0.00 0.00 176.91 178.76 2kvs h GLY 14 N 1.20 0.00 -1.15 8.32 0.00 -1.04 -0.60 103.07 109.80 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 -0.06 0.69 0.00 0.00 0.00 176.54 177.17 2kvs n PHE 15 N -3.00 0.00 -2.44 5.60 3.72 -0.68 -4.85 117.46 115.82 2kvs n PHE 15 Ca -0.03 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.94 2kvs n PHE 15 Cb 0.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.62 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 0.68 3.20 0.12 -1.08 -0.06 -0.24 -4.18 117.38 115.84 2kvs n GLN 16 Ca 0.09 -3.27 0.00 0.00 -2.00 0.00 0.00 57.00 51.81 2kvs n GLN 16 Cb 0.38 -3.29 0.00 0.00 -4.06 0.00 0.00 30.24 23.27 2kvs n GLN 16 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 2kvs n ASN 17 N 6.77 -0.75 -4.90 1.69 4.13 -1.26 -5.03 115.26 115.91 2kvs n ASN 17 Ca 0.46 0.44 -0.21 0.00 1.68 0.00 0.00 54.58 56.95 2kvs n ASN 17 Cb 0.43 0.87 0.07 0.00 -1.54 0.00 0.00 39.78 39.61 2kvs n ASN 17 CO 0.00 0.00 0.00 -1.81 0.28 0.00 0.00 177.26 175.73 2kvs s ASP 18 N -4.42 4.86 -0.78 6.41 1.11 -1.26 -5.02 116.67 117.57 2kvs s ASP 18 Ca 0.00 -0.62 -0.26 0.00 0.18 0.00 0.00 52.55 51.85 2kvs s ASP 18 Cb 0.00 0.09 -0.00 0.00 1.07 0.00 0.00 42.92 44.08 2kvs s ASP 18 CO 0.00 -1.49 1.68 0.21 1.18 0.00 0.00 175.17 176.75 2kvs s ASN 19 N -4.67 5.65 0.11 0.27 3.84 -1.26 -4.83 114.94 114.06 2kvs s ASN 19 Ca 0.63 -0.39 0.07 0.00 0.21 0.00 0.00 52.86 53.37 2kvs s ASN 19 Cb -0.06 -2.55 -0.04 0.00 -0.55 0.00 0.00 41.25 38.05 2kvs s ASN 19 CO 0.41 -2.20 -0.16 0.42 -2.79 0.00 0.00 177.10 172.77 2kvs s THR 20 N 7.88 1.43 0.56 -5.21 -4.23 -1.26 -5.02 115.64 109.79 2kvs s THR 20 Ca 0.57 -1.63 0.27 0.00 -1.18 0.00 0.00 61.69 59.72 2kvs s THR 20 Cb -0.08 -1.49 0.39 0.00 1.34 0.00 0.00 72.50 72.66 2kvs s THR 20 CO 0.09 -0.30 1.99 -0.65 -0.54 0.00 0.00 174.62 175.21 2kvs h PRO 21 N 3.74 0.00 -0.23 3.99 0.11 -1.96 -0.72 132.00 136.93 2kvs h PRO 21 Ca -0.42 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.58 2kvs h PRO 21 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2kvs h PRO 21 CO 0.46 0.00 -0.36 0.74 -0.21 0.00 0.00 178.00 178.64 2kvs h PHE 22 N 0.00 0.58 -0.05 0.65 -1.00 -1.91 -2.96 116.94 112.24 2kvs h PHE 22 Ca 0.21 -0.15 0.02 0.00 2.81 0.00 0.00 57.97 60.85 2kvs h PHE 22 Cb 0.95 -0.13 -0.00 0.00 3.61 0.00 0.00 35.95 40.38 2kvs h PHE 22 CO 0.00 0.79 0.04 0.78 -1.61 0.00 0.00 178.31 178.31 2kvs h GLY 23 N 1.07 0.00 1.19 -1.45 0.00 -1.38 -0.10 103.07 102.40 2kvs h GLY 23 Ca 0.04 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.33 2kvs h GLY 23 CO 0.07 0.00 0.25 -2.22 0.00 0.00 0.00 176.54 174.64 2kvs h ILE 24 N 0.00 1.24 0.01 2.60 1.08 -1.57 -2.25 117.51 118.62 2kvs h ILE 24 Ca 0.03 -0.79 -0.04 0.00 -0.39 0.00 0.00 64.86 63.66 2kvs h ILE 24 Cb 0.11 0.44 0.00 0.00 -3.07 0.00 0.00 36.82 34.31 2kvs h ILE 24 CO -0.00 0.32 -0.17 0.25 -0.69 0.00 0.00 178.15 177.85 2kvs h LEU 25 N 1.01 0.14 0.33 1.44 7.12 -1.33 -3.20 115.31 120.82 2kvs h LEU 25 Ca 0.23 -0.82 -0.00 0.00 0.13 0.00 0.00 57.88 57.42 2kvs h LEU 25 Cb 0.23 -0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.28 2kvs h LEU 25 CO -0.02 0.94 -0.51 0.00 -0.13 0.00 0.00 178.44 178.73 2kvs h ALA 26 N 0.20 -1.08 0.00 1.25 0.00 -1.02 0.63 119.26 119.24 2kvs h ALA 26 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2kvs h ALA 26 Cb 0.97 0.81 0.00 0.00 0.00 0.00 0.00 17.79 19.57 2kvs h ALA 26 CO 0.03 -1.15 0.00 0.39 0.00 0.00 0.00 179.25 178.52 2kvs n GLU 27 N -5.45 0.08 -0.05 0.00 1.02 -0.85 -1.27 120.64 114.12 2kvs n GLU 27 Ca -0.10 0.18 -0.22 0.00 -0.02 0.00 0.00 57.16 57.00 2kvs n GLU 27 Cb 0.43 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 30.23 2kvs n GLU 27 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2kvs n HIS 28 N -1.43 1.05 0.23 -0.32 -0.00 -0.79 -4.19 115.22 109.78 2kvs n HIS 28 Ca 0.05 0.31 0.12 0.00 0.46 0.00 0.00 57.72 58.66 2kvs n HIS 28 Cb 0.17 -1.13 0.36 0.00 -0.12 0.00 0.00 29.99 29.28 2kvs n HIS 28 CO 0.00 0.00 0.00 -0.39 0.46 0.00 0.00 176.34 176.41 2kvs h VAL 29 N -0.38 0.26 -0.23 3.57 -1.51 -0.76 -2.94 116.25 114.25 2kvs h VAL 29 Ca -0.42 -1.07 0.07 0.00 -1.23 0.00 0.00 66.70 64.05 2kvs h VAL 29 Cb 1.74 1.87 -0.01 0.00 -2.13 0.00 0.00 31.29 32.76 2kvs h VAL 29 CO -0.06 0.13 0.17 -1.28 -1.23 0.00 0.00 177.57 175.30 2kvs h SER 30 N 0.00 0.00 -1.61 4.19 0.87 -1.35 -3.36 113.55 112.29 2kvs h SER 30 Ca -0.00 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.26 2kvs h SER 30 Cb 0.86 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 62.56 2kvs h SER 30 CO 0.02 0.00 -0.65 -0.70 -0.53 0.00 0.00 176.83 174.97 2kvs s GLU 31 N -5.03 0.83 -0.15 2.24 2.12 -1.12 -4.99 118.70 112.60 2kvs s GLU 31 Ca -0.05 -1.03 -0.18 0.00 0.36 0.00 0.00 54.97 54.07 2kvs s GLU 31 Cb 0.18 -0.53 -0.16 0.00 0.26 0.00 0.00 34.13 33.89 2kvs s GLU 31 CO 0.69 -1.26 0.33 0.38 -0.54 0.00 0.00 175.26 174.86 2kvs h ASP 32 N 6.28 0.00 0.00 -1.70 2.03 -1.70 -3.46 116.42 117.86 2kvs h ASP 32 Ca 0.09 -0.52 0.00 0.00 -0.73 0.00 0.00 57.03 55.87 2kvs h ASP 32 Cb 1.07 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.57 2kvs h ASP 32 CO 0.16 0.99 0.00 0.29 -1.03 0.00 0.00 179.24 179.65 2kvs n LYS 33 N -4.60 0.00 0.00 4.15 5.02 -1.26 -5.04 118.16 116.43 2kvs n LYS 33 Ca -0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.16 2kvs n LYS 33 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.41 2kvs n LYS 33 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2kvs n ALA 34 N -3.07 0.00 -3.86 7.82 0.00 -1.26 -5.14 120.51 115.00 2kvs n ALA 34 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2kvs n ALA 34 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 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 0.00 2.82 -0.67 0.00 0.08 -1.26 -5.04 117.98 113.91 2kvs s PHE 35 Ca 0.00 -2.95 -0.26 0.00 0.12 0.00 0.00 56.93 53.83 2kvs s PHE 35 Cb 0.00 -2.48 -0.01 0.00 -0.57 0.00 0.00 43.02 39.96 2kvs s PHE 35 CO 0.00 -0.73 1.70 -2.14 -0.10 0.00 0.00 175.22 173.95 2kvs s PRO 36 N -0.25 2.80 0.05 0.24 0.02 -1.26 -4.93 135.00 131.67 2kvs s PRO 36 Ca 0.19 0.29 -0.29 0.00 0.02 0.00 0.00 61.00 61.21 2kvs s PRO 36 Cb -0.22 -4.39 -0.16 0.00 0.02 0.00 0.00 34.50 29.76 2kvs s PRO 36 CO -0.03 -2.60 1.43 0.00 -0.33 0.00 0.00 177.00 175.48 2kvs h ARG 37 N 13.29 -0.97 -0.93 5.54 2.47 -2.03 -3.46 114.38 128.29 2kvs h ARG 37 Ca -0.24 0.07 0.16 0.00 -1.26 0.00 0.00 59.98 58.71 2kvs h ARG 37 Cb 1.12 0.22 -0.22 0.00 -1.65 0.00 0.00 29.97 29.44 2kvs h ARG 37 CO 1.24 -0.65 0.02 -1.17 0.56 0.00 0.00 179.97 179.97 2kvs s LEU 38 N -8.59 -0.83 0.00 3.04 2.96 -1.26 -5.00 118.68 108.99 2kvs s LEU 38 Ca -0.15 0.77 0.21 0.00 -0.22 0.00 0.00 54.13 54.73 2kvs s LEU 38 Cb 0.02 1.79 0.67 0.00 0.50 0.00 0.00 46.19 49.17 2kvs s LEU 38 CO 0.46 -0.16 1.51 -0.62 -1.32 0.00 0.00 176.35 176.22 2kvs n GLU 39 N 5.31 1.89 0.27 1.98 -0.58 -1.26 -4.38 120.64 123.87 2kvs n GLU 39 Ca -0.07 -1.33 -0.14 0.00 -0.42 0.00 0.00 57.16 55.20 2kvs n GLU 39 Cb 0.52 -1.41 -0.07 0.00 -0.57 0.00 0.00 31.44 29.91 2kvs n GLU 39 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2kvs h GLU 40 N 2.66 -0.78 -3.86 3.49 4.22 -1.95 -3.42 114.58 114.95 2kvs h GLU 40 Ca 0.00 0.05 -0.50 0.00 0.08 0.00 0.00 59.36 59.00 2kvs h GLU 40 Cb 0.58 0.18 -0.38 0.00 0.50 0.00 0.00 28.75 29.63 2kvs h GLU 40 CO 0.00 -0.52 -0.78 1.03 -2.18 0.00 0.00 179.01 176.56 2kvs s ARG 41 N -5.04 0.96 0.00 1.92 0.52 -1.26 -5.02 118.95 111.03 2kvs s ARG 41 Ca -0.13 -0.22 0.07 0.00 -0.52 0.00 0.00 55.73 54.93 2kvs s ARG 41 Cb 0.02 -1.58 0.39 0.00 0.52 0.00 0.00 34.95 34.30 2kvs s ARG 41 CO 0.42 -0.41 1.03 0.72 0.02 0.00 0.00 175.30 177.08 2kvs n HIS 42 N 5.03 0.00 -0.03 -0.53 8.25 -1.26 -2.14 115.22 124.53 2kvs n HIS 42 Ca -0.09 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.46 2kvs n HIS 42 Cb 0.49 -0.19 0.48 0.00 1.12 0.00 0.00 29.99 31.89 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 0.42 -0.58 -0.41 4.15 -1.95 -1.26 115.11 115.48 2kvs h GLN 43 Ca 0.00 -0.03 0.01 0.00 0.77 0.00 0.00 58.65 59.41 2kvs h GLN 43 Cb 0.05 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 2kvs h GLN 43 CO 0.00 0.28 0.37 -0.39 -1.93 0.00 0.00 178.83 177.16 2kvs h VAL 44 N 0.44 1.11 0.29 2.39 -1.51 -1.78 -0.28 116.25 116.92 2kvs h VAL 44 Ca 0.22 -0.26 -0.01 0.00 -1.23 0.00 0.00 66.70 65.41 2kvs h VAL 44 Cb 0.30 0.30 0.00 0.00 -2.13 0.00 0.00 31.29 29.76 2kvs h VAL 44 CO -0.06 0.14 -0.14 0.40 -1.23 0.00 0.00 177.57 176.68 2kvs h ILE 45 N 0.75 0.73 -0.73 7.19 2.04 -1.59 -2.17 117.51 123.73 2kvs h ILE 45 Ca 0.22 -0.16 0.16 0.00 1.00 0.00 0.00 64.86 66.09 2kvs h ILE 45 Cb -0.04 0.82 -0.13 0.00 -0.74 0.00 0.00 36.82 36.73 2kvs h ILE 45 CO -0.07 0.03 -0.06 -0.09 0.00 0.00 0.00 178.15 177.96 2kvs h ARG 46 N -0.48 0.06 -0.15 2.37 2.43 -0.95 0.22 114.38 117.89 2kvs h ARG 46 Ca -0.04 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.06 2kvs h ARG 46 Cb 0.36 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2kvs h ARG 46 CO 0.07 0.04 -0.18 0.00 -1.51 0.00 0.00 179.97 178.39 2kvs h ALA 47 N 1.70 0.22 0.00 2.80 0.00 -0.99 -3.32 119.26 119.67 2kvs h ALA 47 Ca 0.38 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.79 2kvs h ALA 47 Cb 0.65 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2kvs h ALA 47 CO -0.68 0.14 -0.74 1.88 0.00 0.00 0.00 179.25 179.84 2kvs h TYR 48 N 0.00 0.00 -0.17 0.00 0.05 -0.93 -3.19 116.97 112.73 2kvs h TYR 48 Ca 0.02 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.76 2kvs h TYR 48 Cb 0.73 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.46 2kvs h TYR 48 CO 0.09 0.74 -0.08 -0.39 -1.05 0.00 0.00 178.16 177.47 2kvs h VAL 49 N 0.00 1.16 0.00 -2.88 -1.51 -1.08 0.94 116.25 112.88 2kvs h VAL 49 Ca -0.01 -0.67 0.00 0.00 -1.23 0.00 0.00 66.70 64.79 2kvs h VAL 49 Cb 1.53 1.12 0.00 0.00 -2.13 0.00 0.00 31.29 31.81 2kvs h VAL 49 CO 0.10 0.21 0.00 0.23 -1.23 0.00 0.00 177.57 176.88 2kvs n MET 50 N -4.31 0.07 -0.11 5.19 2.81 -1.21 -2.42 117.12 117.14 2kvs n MET 50 Ca -0.00 0.19 -0.22 0.00 -1.81 0.00 0.00 57.70 55.85 2kvs n MET 50 Cb 0.23 -1.60 -0.07 0.00 -0.71 0.00 0.00 33.22 31.07 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 -1.73 1.80 -0.02 7.83 2.88 -0.47 -4.78 113.62 119.14 2kvs n SER 51 Ca 0.05 0.31 -0.15 0.00 -1.33 0.00 0.00 58.87 57.74 2kvs n SER 51 Cb 0.28 -0.73 -0.12 0.00 -0.75 0.00 0.00 64.21 62.88 2kvs n SER 51 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 2kvs h ASN 52 N -0.91 0.22 -4.12 -3.46 2.35 -0.98 -3.47 115.58 105.21 2kvs h ASN 52 Ca -0.48 -0.82 -0.49 0.00 -0.55 0.00 0.00 56.30 53.96 2kvs h ASN 52 Cb 1.40 -0.07 0.04 0.00 0.05 0.00 0.00 38.32 39.74 2kvs h ASN 52 CO -0.29 1.01 0.33 -0.31 -1.65 0.00 0.00 177.43 176.51 2kvs s TYR 53 N -2.96 3.55 -0.07 1.19 2.02 -1.01 -5.04 117.35 115.03 2kvs s TYR 53 Ca -0.16 1.25 -0.10 0.00 -0.37 0.00 0.00 57.07 57.69 2kvs s TYR 53 Cb 0.00 -2.65 -0.03 0.00 -0.40 0.00 0.00 41.96 38.88 2kvs s TYR 53 CO 0.74 -0.47 -0.19 0.25 -1.57 0.00 0.00 175.55 174.32 2kvs n THR 54 N -2.17 1.17 -1.68 -0.71 -2.24 -1.26 -4.81 114.28 102.58 2kvs n THR 54 Ca 0.05 0.25 -0.46 0.00 -2.27 0.00 0.00 64.05 61.62 2kvs n THR 54 Cb 0.54 -1.95 -0.04 0.00 -2.10 0.00 0.00 70.33 66.78 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 -3.84 3.33 0.26 3.42 9.92 -1.26 -4.84 116.55 123.54 2kvs n ASP 55 Ca -0.07 1.05 0.13 0.00 -0.53 0.00 0.00 54.79 55.37 2kvs n ASP 55 Cb 0.28 -1.44 0.71 0.00 -0.64 0.00 0.00 41.12 40.02 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 6.80 0.00 -0.01 1.24 3.86 -1.96 0.59 115.15 125.68 2kvs h HIS 56 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 2kvs h HIS 56 Cb 1.25 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.72 2kvs h HIS 56 CO 0.68 0.13 0.10 1.96 0.86 0.00 0.00 177.93 181.66 2kvs h GLN 57 N 0.00 0.00 0.00 2.45 1.08 -1.92 0.31 115.11 117.03 2kvs h GLN 57 Ca -0.00 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.01 2kvs h GLN 57 Cb 0.38 0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 27.78 2kvs h GLN 57 CO 0.02 0.00 -1.60 1.28 -0.95 0.00 0.00 178.83 177.58 2kvs n LEU 58 N -3.09 1.94 0.22 1.46 4.77 -0.13 -4.06 117.00 118.12 2kvs n LEU 58 Ca -0.02 0.35 -0.09 0.00 -0.03 0.00 0.00 56.01 56.21 2kvs n LEU 58 Cb 0.17 -0.78 -0.05 0.00 -2.33 0.00 0.00 43.42 40.43 2kvs n LEU 58 CO 0.19 0.07 0.52 0.40 -1.33 0.00 0.00 177.39 177.23 2kvs h ILE 59 N -1.00 0.00 -0.65 -0.08 2.04 -0.77 -2.25 117.51 114.80 2kvs h ILE 59 Ca -0.29 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.49 2kvs h ILE 59 Cb 1.23 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 2kvs h ILE 59 CO -0.17 0.00 0.09 -0.08 0.00 0.00 0.00 178.15 177.99 2kvs h GLU 60 N -0.58 1.09 -0.87 2.37 4.81 -0.64 -2.19 114.58 118.58 2kvs h GLU 60 Ca -0.05 -0.30 0.10 0.00 -0.13 0.00 0.00 59.36 58.98 2kvs h GLU 60 Cb 0.46 -0.12 -0.08 0.00 0.63 0.00 0.00 28.75 29.64 2kvs h GLU 60 CO 0.06 1.01 0.51 1.15 -0.73 0.00 0.00 179.01 181.02 2kvs h THR 61 N 1.01 0.90 0.59 0.32 2.02 -1.55 0.12 112.91 116.32 2kvs h THR 61 Ca 0.20 -0.29 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 2kvs h THR 61 Cb 0.46 -0.00 0.01 0.00 -1.74 0.00 0.00 68.15 66.87 2kvs h THR 61 CO 0.02 0.15 -0.28 0.74 0.37 0.00 0.00 175.52 176.51 2kvs h THR 62 N 0.83 0.00 -0.02 3.16 2.02 -0.78 -0.96 112.91 117.16 2kvs h THR 62 Ca 0.42 -0.10 -0.04 0.00 0.77 0.00 0.00 66.41 67.47 2kvs h THR 62 Cb 0.41 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 2kvs h THR 62 CO -0.26 0.00 -0.18 -0.55 0.37 0.00 0.00 175.52 174.90 2kvs h ASN 63 N -0.89 0.03 0.03 4.18 7.08 -1.39 0.78 115.58 125.39 2kvs h ASN 63 Ca -0.08 -0.00 -0.00 0.00 -3.08 0.00 0.00 56.30 53.13 2kvs h ASN 63 Cb 0.61 -0.01 0.00 0.00 -2.08 0.00 0.00 38.32 36.84 2kvs h ASN 63 CO 0.13 0.21 -0.01 -0.09 -2.08 0.00 0.00 177.43 175.59 2kvs h ARG 64 N 0.03 -0.03 -0.83 4.14 2.43 -0.79 0.10 114.38 119.43 2kvs h ARG 64 Ca 0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 2kvs h ARG 64 Cb 0.34 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.85 2kvs h ARG 64 CO 0.02 0.15 0.54 0.00 -1.51 0.00 0.00 179.97 179.18 2kvs h ALA 65 N 0.75 1.07 -0.45 2.80 0.00 -0.36 -1.41 119.26 121.66 2kvs h ALA 65 Ca -0.00 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2kvs h ALA 65 Cb 0.20 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2kvs h ALA 65 CO 0.01 0.41 0.01 0.82 0.00 0.00 0.00 179.25 180.50 2kvs h ILE 66 N 1.08 1.23 0.02 0.00 1.08 -0.77 0.29 117.51 120.44 2kvs h ILE 66 Ca 0.32 -0.93 -0.00 0.00 -0.39 0.00 0.00 64.86 63.86 2kvs h ILE 66 Cb -0.06 0.87 0.00 0.00 -3.07 0.00 0.00 36.82 34.56 2kvs h ILE 66 CO -0.09 0.33 -0.01 0.28 -0.69 0.00 0.00 178.15 177.96 2kvs h SER 67 N 0.68 -0.03 -0.12 1.72 0.02 -0.11 0.10 113.55 115.82 2kvs h SER 67 Ca 0.14 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 60.82 2kvs h SER 67 Cb 0.40 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.93 2kvs h SER 67 CO 0.01 0.16 -0.18 -0.07 -1.14 0.00 0.00 176.83 175.62 2kvs h LEU 68 N -0.22 0.52 0.70 5.07 -0.00 -1.18 -0.95 115.31 119.25 2kvs h LEU 68 Ca -0.00 -0.15 -0.03 0.00 -0.00 0.00 0.00 57.88 57.69 2kvs h LEU 68 Cb 0.21 -0.14 0.01 0.00 -0.00 0.00 0.00 40.66 40.73 2kvs h LEU 68 CO 0.01 0.71 -0.34 0.22 -0.00 0.00 0.00 178.44 179.04 2kvs h TYR 69 N 0.47 -0.87 -0.28 1.13 3.20 -0.24 0.31 116.97 120.68 2kvs h TYR 69 Ca 0.08 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.85 2kvs h TYR 69 Cb 0.59 0.29 -0.02 0.00 1.54 0.00 0.00 36.73 39.13 2kvs h TYR 69 CO 0.02 -0.54 -0.15 0.00 -1.64 0.00 0.00 178.16 175.85 2kvs h MET 70 N -0.97 0.49 -0.14 1.82 -0.00 -0.78 0.52 114.93 115.87 2kvs h MET 70 Ca -0.10 -0.15 -0.03 0.00 -0.00 0.00 0.00 59.70 59.42 2kvs h MET 70 Cb 0.73 -0.05 -0.00 0.00 -0.00 0.00 0.00 31.60 32.28 2kvs h MET 70 CO 0.16 0.63 -0.04 0.00 -0.00 0.00 0.00 176.91 177.66 2kvs h ALA 71 N 1.39 0.19 -0.22 -3.00 0.00 -1.14 0.40 119.26 116.88 2kvs h ALA 71 Ca 0.08 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.70 2kvs h ALA 71 Cb 0.53 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2kvs h ALA 71 CO 0.03 -0.05 -0.06 -0.97 0.00 0.00 0.00 179.25 178.20 2kvs h ASN 72 N -0.05 0.44 -0.41 0.00 -1.24 -0.81 -0.66 115.58 112.86 2kvs h ASN 72 Ca 0.03 -0.37 0.04 0.00 0.71 0.00 0.00 56.30 56.71 2kvs h ASN 72 Cb 0.47 -0.12 -0.04 0.00 0.73 0.00 0.00 38.32 39.36 2kvs h ASN 72 CO 0.01 0.71 0.18 0.25 -1.29 0.00 0.00 177.43 177.30 2kvs h LEU 73 N 0.16 0.24 -0.14 0.34 7.12 -0.94 0.31 115.31 122.41 2kvs h LEU 73 Ca 0.06 0.03 0.04 0.00 0.13 0.00 0.00 57.88 58.14 2kvs h LEU 73 Cb 0.53 -0.01 -0.04 0.00 -0.53 0.00 0.00 40.66 40.60 2kvs h LEU 73 CO 0.02 0.18 -0.13 -0.08 -0.13 0.00 0.00 178.44 178.30 2kvs h GLU 74 N 0.37 -0.15 0.00 1.25 4.81 -0.82 0.23 114.58 120.28 2kvs h GLU 74 Ca 0.18 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.36 2kvs h GLU 74 Cb 0.12 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 2kvs h GLU 74 CO -0.15 -0.10 -0.31 1.25 -0.73 0.00 0.00 179.01 178.97 2kvs h HIS 75 N -0.15 0.00 0.14 0.92 2.76 -0.66 0.25 115.15 118.41 2kvs h HIS 75 Ca 0.09 0.00 -0.29 0.00 -2.20 0.00 0.00 60.37 57.98 2kvs h HIS 75 Cb 0.29 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.26 2kvs h HIS 75 CO -0.26 0.31 -1.34 1.25 -1.30 0.00 0.00 177.93 176.59 2kvs h HIS 76 N 0.00 0.54 0.03 5.26 -0.00 0.02 0.41 115.15 121.41 2kvs h HIS 76 Ca -0.00 -0.40 -0.25 0.00 -0.00 0.00 0.00 60.37 59.72 2kvs h HIS 76 Cb 0.71 -0.02 0.01 0.00 -0.00 0.00 0.00 27.41 28.11 2kvs h HIS 76 CO 0.00 1.34 -1.03 1.25 -0.00 0.00 0.00 177.93 179.49 2kvs h HIS 77 N 0.08 0.73 0.00 5.26 6.17 -0.37 -3.25 115.15 123.77 2kvs h HIS 77 Ca -0.18 -0.42 -0.20 0.00 0.71 0.00 0.00 60.37 60.29 2kvs h HIS 77 Cb 2.01 -0.07 -0.03 0.00 2.52 0.00 0.00 27.41 31.83 2kvs h HIS 77 CO 0.07 1.25 -0.98 1.25 0.71 0.00 0.00 177.93 180.23 2kvs h HIS 78 N 0.25 0.00 0.00 5.26 6.17 -0.61 -3.48 115.15 122.74 2kvs h HIS 78 Ca -0.11 0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.97 2kvs h HIS 78 Cb 1.68 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.61 2kvs h HIS 78 CO 0.07 0.94 0.00 1.58 0.71 0.00 0.00 177.93 181.24 2kvs n HIS 79 N -3.32 0.00 -0.44 5.26 -0.00 0.14 -5.04 115.22 111.83 2kvs n HIS 79 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 2kvs n HIS 79 Cb 0.92 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.91 2kvs n HIS 79 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92