#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcv s ASP 2 N 0.00 7.46 0.65 1.62 1.01 -1.26 -4.95 116.67 121.20 2kcv s ASP 2 Ca 0.00 1.82 0.37 0.00 0.71 0.00 0.00 52.55 55.46 2kcv s ASP 2 Cb 0.00 -2.59 2.07 0.00 1.01 0.00 0.00 42.92 43.41 2kcv s ASP 2 CO 0.00 -0.10 2.22 -0.65 0.21 0.00 0.00 175.17 176.85 2kcv h PRO 3 N 5.63 0.00 -0.58 8.23 0.11 -2.04 -2.88 132.00 140.47 2kcv h PRO 3 Ca -0.43 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.73 2kcv h PRO 3 Cb 1.21 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.29 2kcv h PRO 3 CO 0.72 0.00 0.38 0.93 -0.21 0.00 0.00 178.00 179.83 2kcv h GLU 4 N 0.00 0.60 -6.92 1.05 5.08 -1.96 -3.21 114.58 109.22 2kcv h GLU 4 Ca 0.01 -0.04 -0.54 0.00 -1.00 0.00 0.00 59.36 57.80 2kcv h GLU 4 Cb 0.22 -0.13 0.10 0.00 0.50 0.00 0.00 28.75 29.44 2kcv h GLU 4 CO -0.00 0.39 0.79 -0.51 -1.00 0.00 0.00 179.01 178.68 2kcv s ASP 5 N -6.41 6.38 0.13 1.42 1.11 -1.09 -4.87 116.67 113.35 2kcv s ASP 5 Ca -0.09 3.01 -0.19 0.00 0.18 0.00 0.00 52.55 55.46 2kcv s ASP 5 Cb 0.19 -2.66 -0.02 0.00 1.07 0.00 0.00 42.92 41.49 2kcv s ASP 5 CO 0.75 -0.86 1.72 1.55 1.18 0.00 0.00 175.17 179.52 2kcv h PRO 6 N 3.34 0.07 -0.78 8.23 0.13 -1.92 -1.92 132.00 139.14 2kcv h PRO 6 Ca -0.50 -0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.61 2kcv h PRO 6 Cb 1.24 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 2kcv h PRO 6 CO 0.67 0.04 0.40 0.35 -0.23 0.00 0.00 178.00 179.24 2kcv h PHE 7 N 0.07 1.08 -0.21 1.56 3.57 -1.94 -1.44 116.94 119.63 2kcv h PHE 7 Ca 0.10 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 2kcv h PHE 7 Cb 0.12 -0.34 -0.01 0.00 2.79 0.00 0.00 35.95 38.51 2kcv h PHE 7 CO -0.18 0.76 -0.06 1.15 -2.23 0.00 0.00 178.31 177.75 2kcv h THR 8 N 1.09 1.29 0.00 4.41 2.02 -1.71 -0.54 112.91 119.47 2kcv h THR 8 Ca 0.27 -1.06 -0.10 0.00 0.77 0.00 0.00 66.41 66.29 2kcv h THR 8 Cb 0.06 1.56 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 2kcv h THR 8 CO -0.04 0.32 -0.49 0.08 0.37 0.00 0.00 175.52 175.76 2kcv h ARG 9 N 0.13 0.00 0.29 6.66 0.11 -1.37 -1.41 114.38 118.79 2kcv h ARG 9 Ca 0.05 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.12 2kcv h ARG 9 Cb 0.52 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.60 2kcv h ARG 9 CO 0.02 0.49 -0.14 -0.92 0.10 0.00 0.00 179.97 179.53 2kcv h TYR 10 N 0.00 -0.36 -0.10 4.08 3.20 -1.05 -0.01 116.97 122.73 2kcv h TYR 10 Ca -0.00 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 2kcv h TYR 10 Cb 1.14 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.51 2kcv h TYR 10 CO 0.00 -0.14 -0.35 0.00 -1.64 0.00 0.00 178.16 176.03 2kcv h ALA 11 N 0.15 1.23 -0.41 1.82 0.00 -1.11 -1.86 119.26 119.07 2kcv h ALA 11 Ca -0.04 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.41 2kcv h ALA 11 Cb 0.39 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 2kcv h ALA 11 CO 0.07 0.53 -0.16 1.25 0.00 0.00 0.00 179.25 180.94 2kcv h LEU 12 N 0.17 0.77 -0.54 0.00 5.85 -1.21 -1.26 115.31 119.08 2kcv h LEU 12 Ca 0.02 -0.25 -0.11 0.00 0.84 0.00 0.00 57.88 58.39 2kcv h LEU 12 Cb 0.71 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 2kcv h LEU 12 CO 0.05 0.93 -0.07 0.00 -0.34 0.00 0.00 178.44 179.01 2kcv h ALA 13 N 1.14 0.74 -0.60 1.25 0.00 -0.50 -0.12 119.26 121.17 2kcv h ALA 13 Ca 0.11 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 2kcv h ALA 13 Cb 0.65 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 2kcv h ALA 13 CO 0.05 0.63 0.26 1.96 0.00 0.00 0.00 179.25 182.14 2kcv h GLN 14 N 0.88 0.86 -0.47 0.00 4.20 -1.16 -0.98 115.11 118.44 2kcv h GLN 14 Ca 0.14 -0.12 -0.09 0.00 0.06 0.00 0.00 58.65 58.64 2kcv h GLN 14 Cb 0.63 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 2kcv h GLN 14 CO 0.04 0.69 -0.09 0.93 -0.67 0.00 0.00 178.83 179.74 2kcv h GLU 15 N 0.86 0.84 -0.66 1.46 5.08 -0.81 -2.81 114.58 118.54 2kcv h GLU 15 Ca 0.21 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 2kcv h GLU 15 Cb 0.14 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 2kcv h GLU 15 CO -0.02 0.90 0.27 0.45 -1.00 0.00 0.00 179.01 179.61 2kcv h HIS 16 N 0.77 1.01 -0.25 4.33 3.86 -0.44 -1.46 115.15 122.96 2kcv h HIS 16 Ca 0.13 -0.07 0.04 0.00 -1.16 0.00 0.00 60.37 59.30 2kcv h HIS 16 Cb 0.58 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.72 2kcv h HIS 16 CO 0.03 0.78 0.04 -0.07 0.86 0.00 0.00 177.93 179.58 2kcv h LEU 17 N 0.94 -0.01 -0.58 2.43 3.38 -0.99 0.33 115.31 120.80 2kcv h LEU 17 Ca 0.22 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.19 2kcv h LEU 17 Cb 0.20 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2kcv h LEU 17 CO -0.02 0.03 -0.21 0.07 0.09 0.00 0.00 178.44 178.40 2kcv h LYS 18 N 0.13 0.00 -0.36 1.13 2.10 -1.48 -2.49 116.57 115.61 2kcv h LYS 18 Ca 0.12 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.77 2kcv h LYS 18 Cb 0.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.45 2kcv h LYS 18 CO -0.16 0.21 0.00 0.72 -2.00 0.00 0.00 179.45 178.22 2kcv n HIS 19 N -3.23 0.44 -0.81 0.07 8.25 -0.55 -4.92 115.22 114.47 2kcv n HIS 19 Ca 0.02 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 2kcv n HIS 19 Cb 0.52 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 31.59 2kcv n HIS 19 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 2kcv n ASP 20 N 0.32 0.00 -2.85 0.41 2.03 -0.73 -4.90 116.55 110.83 2kcv n ASP 20 Ca 0.10 0.00 -0.30 0.00 0.52 0.00 0.00 54.79 55.11 2kcv n ASP 20 Cb 0.29 -0.74 -0.07 0.00 -0.72 0.00 0.00 41.12 39.89 2kcv n ASP 20 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2kcv n ASN 21 N 0.00 7.28 -0.31 1.67 5.03 0.11 -4.67 115.26 124.36 2kcv n ASN 21 Ca 0.00 -2.75 -0.01 0.00 0.87 0.00 0.00 54.58 52.69 2kcv n ASN 21 Cb 0.00 -1.43 0.16 0.00 -1.02 0.00 0.00 39.78 37.49 2kcv n ASN 21 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2kcv h ALA 22 N 4.05 1.35 -0.46 5.41 0.00 -1.83 -1.61 119.26 126.17 2kcv h ALA 22 Ca 0.57 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.44 2kcv h ALA 22 Cb 0.71 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2kcv h ALA 22 CO 1.14 0.60 0.29 0.66 0.00 0.00 0.00 179.25 181.94 2kcv h SER 23 N 1.23 0.48 -0.42 0.00 4.64 -1.94 0.39 113.55 117.94 2kcv h SER 23 Ca 0.33 -0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.54 2kcv h SER 23 Cb -0.14 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 61.83 2kcv h SER 23 CO -0.07 0.34 -0.16 0.03 -0.87 0.00 0.00 176.83 176.10 2kcv h ARG 24 N 0.58 0.90 -0.69 4.77 2.47 -1.81 -2.56 114.38 118.05 2kcv h ARG 24 Ca 0.18 -0.34 -0.04 0.00 -1.26 0.00 0.00 59.98 58.51 2kcv h ARG 24 Cb -0.02 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.22 2kcv h ARG 24 CO -0.07 0.99 0.25 0.00 0.56 0.00 0.00 179.97 181.71 2kcv h ALA 25 N 1.02 1.14 0.39 0.04 0.00 -1.14 -2.86 119.26 117.85 2kcv h ALA 25 Ca 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2kcv h ALA 25 Cb 0.69 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2kcv h ALA 25 CO 0.05 0.61 -0.19 1.25 0.00 0.00 0.00 179.25 180.97 2kcv h LEU 26 N 1.01 -0.45 -0.93 0.00 5.85 -0.55 -1.26 115.31 118.97 2kcv h LEU 26 Ca 0.23 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 59.00 2kcv h LEU 26 Cb 0.23 0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.31 2kcv h LEU 26 CO -0.02 -0.27 0.59 0.00 -0.34 0.00 0.00 178.44 178.41 2kcv h ALA 27 N 0.00 1.30 -0.49 1.25 0.00 -1.49 -0.88 119.26 118.96 2kcv h ALA 27 Ca -0.05 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2kcv h ALA 27 Cb 0.44 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2kcv h ALA 27 CO 0.09 0.34 0.10 -0.07 0.00 0.00 0.00 179.25 179.71 2kcv h LEU 28 N 1.06 0.76 -0.24 0.00 3.38 -1.25 -1.49 115.31 117.52 2kcv h LEU 28 Ca 0.41 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 58.09 2kcv h LEU 28 Cb 0.20 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2kcv h LEU 28 CO -0.18 0.81 -0.02 -0.26 0.09 0.00 0.00 178.44 178.88 2kcv h PHE 29 N 0.67 0.49 -0.03 1.13 0.04 -0.77 -0.65 116.94 117.82 2kcv h PHE 29 Ca 0.15 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 2kcv h PHE 29 Cb 0.36 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.38 2kcv h PHE 29 CO 0.02 0.63 -0.05 0.93 -0.60 0.00 0.00 178.31 179.24 2kcv h GLU 30 N 0.20 0.04 0.04 1.51 5.08 -1.18 -2.14 114.58 118.13 2kcv h GLU 30 Ca 0.07 -0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.19 2kcv h GLU 30 Cb 0.45 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2kcv h GLU 30 CO 0.02 0.10 -1.01 1.49 -1.00 0.00 0.00 179.01 178.60 2kcv h GLU 31 N 0.04 0.32 -0.86 2.33 4.81 -1.01 -2.70 114.58 117.51 2kcv h GLU 31 Ca 0.01 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 2kcv h GLU 31 Cb 0.12 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.58 2kcv h GLU 31 CO 0.01 1.11 0.55 -0.07 -0.73 0.00 0.00 179.01 179.88 2kcv h LEU 32 N 0.16 1.01 0.45 1.64 3.38 -0.49 -2.60 115.31 118.86 2kcv h LEU 32 Ca -0.09 -0.04 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 2kcv h LEU 32 Cb 1.68 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 42.18 2kcv h LEU 32 CO 0.17 0.75 -0.22 0.58 0.09 0.00 0.00 178.44 179.81 2kcv h VAL 33 N 1.17 0.50 -0.45 1.22 2.07 -1.45 -0.74 116.25 118.58 2kcv h VAL 33 Ca 0.31 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 2kcv h VAL 33 Cb -0.11 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 2kcv h VAL 33 CO -0.06 0.06 0.25 1.05 0.02 0.00 0.00 177.57 178.88 2kcv h GLU 34 N -0.85 0.62 0.18 1.57 4.11 -1.44 -2.78 114.58 115.99 2kcv h GLU 34 Ca -0.06 -0.06 -0.35 0.00 0.07 0.00 0.00 59.36 58.97 2kcv h GLU 34 Cb 0.57 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.70 2kcv h GLU 34 CO 0.10 0.45 -1.72 1.79 0.07 0.00 0.00 179.01 179.70 2kcv h THR 35 N 0.63 0.95 -2.86 -1.06 1.35 -1.55 -3.45 112.91 106.92 2kcv h THR 35 Ca 0.16 -2.50 -0.57 0.00 -0.55 0.00 0.00 66.41 62.95 2kcv h THR 35 Cb 0.02 2.77 -0.40 0.00 -1.73 0.00 0.00 68.15 68.81 2kcv h THR 35 CO -0.03 0.85 -0.79 -0.62 -0.25 0.00 0.00 175.52 174.68 2kcv s ASP 36 N -7.29 3.54 0.20 5.36 -1.08 -0.28 -5.00 116.67 112.13 2kcv s ASP 36 Ca -0.16 -1.77 0.23 0.00 -0.52 0.00 0.00 52.55 50.32 2kcv s ASP 36 Cb 0.05 -0.58 0.91 0.00 -1.46 0.00 0.00 42.92 41.84 2kcv s ASP 36 CO 0.85 -0.38 1.69 -2.65 0.52 0.00 0.00 175.17 175.20 2kcv n PRO 37 N 4.63 0.17 0.13 4.34 -0.02 -1.14 -3.34 135.00 139.77 2kcv n PRO 37 Ca 0.01 0.35 0.03 0.00 -2.02 0.00 0.00 63.50 61.88 2kcv n PRO 37 Cb 0.40 -1.79 0.02 0.00 -0.02 0.00 0.00 33.50 32.11 2kcv n PRO 37 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2kcv h ASP 38 N 0.00 0.00 -0.71 2.55 5.19 -1.91 -3.43 116.42 118.11 2kcv h ASP 38 Ca 0.00 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.20 2kcv h ASP 38 Cb 0.40 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.89 2kcv h ASP 38 CO 0.00 0.45 0.56 -0.47 -3.12 0.00 0.00 179.24 176.66 2kcv s TYR 39 N -2.99 1.52 0.17 4.55 6.14 -1.21 -4.82 117.35 120.70 2kcv s TYR 39 Ca 0.03 1.18 -0.10 0.00 0.64 0.00 0.00 57.07 58.82 2kcv s TYR 39 Cb 0.08 -3.81 0.04 0.00 0.42 0.00 0.00 41.96 38.69 2kcv s TYR 39 CO 0.75 -1.76 1.61 0.28 0.64 0.00 0.00 175.55 177.07 2kcv h VAL 40 N 7.41 1.27 -0.02 3.14 2.07 -1.91 -3.17 116.25 125.04 2kcv h VAL 40 Ca 0.02 -1.18 0.00 0.00 0.82 0.00 0.00 66.70 66.37 2kcv h VAL 40 Cb 1.03 0.92 -0.00 0.00 -1.52 0.00 0.00 31.29 31.72 2kcv h VAL 40 CO 1.13 0.42 0.01 1.23 0.02 0.00 0.00 177.57 180.39 2kcv h GLY 41 N 0.88 0.00 0.91 2.17 0.00 -1.99 -1.47 103.07 103.57 2kcv h GLY 41 Ca 0.15 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 2kcv h GLY 41 CO 0.04 0.00 -0.04 -0.84 0.00 0.00 0.00 176.54 175.69 2kcv h THR 42 N 0.00 0.97 -0.90 4.70 2.02 -1.95 -3.23 112.91 114.53 2kcv h THR 42 Ca 0.01 -0.21 0.05 0.00 0.77 0.00 0.00 66.41 67.03 2kcv h THR 42 Cb 0.03 1.11 -0.06 0.00 -1.74 0.00 0.00 68.15 67.49 2kcv h THR 42 CO -0.00 0.05 0.57 1.88 0.37 0.00 0.00 175.52 178.39 2kcv h TYR 43 N -0.21 1.06 0.46 3.16 0.05 -1.40 0.14 116.97 120.22 2kcv h TYR 43 Ca -0.01 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 2kcv h TYR 43 Cb 0.18 -0.35 -0.00 0.00 1.01 0.00 0.00 36.73 37.57 2kcv h TYR 43 CO -0.04 0.56 -0.31 -0.92 -1.05 0.00 0.00 178.16 176.40 2kcv h TYR 44 N 1.06 -0.82 0.00 4.88 3.20 -1.66 -2.01 116.97 121.61 2kcv h TYR 44 Ca 0.38 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.20 2kcv h TYR 44 Cb 0.12 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 2kcv h TYR 44 CO -0.02 -0.45 -0.23 0.45 -1.64 0.00 0.00 178.16 176.27 2kcv h HIS 45 N -0.73 0.00 -0.14 -3.82 3.86 -1.42 0.29 115.15 113.19 2kcv h HIS 45 Ca -0.06 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.92 2kcv h HIS 45 Cb 0.59 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.07 2kcv h HIS 45 CO -0.05 0.23 -0.79 1.25 0.86 0.00 0.00 177.93 179.43 2kcv h LEU 46 N 0.00 0.92 -0.45 2.43 5.85 -0.83 -1.95 115.31 121.28 2kcv h LEU 46 Ca -0.00 -0.61 -0.14 0.00 0.84 0.00 0.00 57.88 57.97 2kcv h LEU 46 Cb 0.42 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2kcv h LEU 46 CO 0.03 1.41 -0.28 1.23 -0.34 0.00 0.00 178.44 180.48 2kcv h GLY 47 N 0.60 1.07 1.05 3.75 0.00 -0.63 -1.26 103.07 107.65 2kcv h GLY 47 Ca -0.06 -1.00 0.02 0.00 0.00 0.00 0.00 47.33 46.29 2kcv h GLY 47 CO 0.16 0.91 0.61 0.50 0.00 0.00 0.00 176.54 178.72 2kcv h LYS 48 N 0.83 1.19 -0.34 4.80 1.79 -0.95 -1.05 116.57 122.83 2kcv h LYS 48 Ca 0.09 -0.07 -0.17 0.00 -2.18 0.00 0.00 60.65 58.32 2kcv h LYS 48 Cb 0.87 -0.27 -0.00 0.00 -1.58 0.00 0.00 32.23 31.25 2kcv h LYS 48 CO 0.08 0.79 -0.47 1.25 -1.08 0.00 0.00 179.45 180.01 2kcv h LEU 49 N 1.22 1.00 -0.93 2.94 5.85 -1.22 -2.87 115.31 121.30 2kcv h LEU 49 Ca 0.35 -0.50 0.04 0.00 0.84 0.00 0.00 57.88 58.61 2kcv h LEU 49 Cb -0.09 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.59 2kcv h LEU 49 CO -0.09 1.30 0.60 1.88 -0.34 0.00 0.00 178.44 181.80 2kcv h TYR 50 N 0.72 1.12 -0.79 1.25 0.05 -0.64 -2.10 116.97 116.57 2kcv h TYR 50 Ca 0.04 0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.87 2kcv h TYR 50 Cb 1.08 -0.37 -0.04 0.00 1.01 0.00 0.00 36.73 38.41 2kcv h TYR 50 CO 0.07 0.62 0.52 0.93 -1.05 0.00 0.00 178.16 179.26 2kcv h GLU 51 N 1.14 0.99 -0.48 4.88 5.08 -1.08 0.19 114.58 125.30 2kcv h GLU 51 Ca 0.38 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.61 2kcv h GLU 51 Cb 0.05 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 2kcv h GLU 51 CO -0.14 0.66 0.01 0.00 -1.00 0.00 0.00 179.01 178.54 2kcv h ARG 52 N 1.02 0.78 -0.37 2.33 3.08 -1.17 -2.89 114.38 117.16 2kcv h ARG 52 Ca 0.30 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2kcv h ARG 52 Cb -0.03 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 29.92 2kcv h ARG 52 CO -0.08 0.79 0.00 1.28 -1.07 0.00 0.00 179.97 180.89 2kcv n LEU 53 N -4.22 1.63 -0.37 3.04 4.77 -0.72 -4.88 117.00 116.25 2kcv n LEU 53 Ca 0.03 -0.82 -0.05 0.00 -0.03 0.00 0.00 56.01 55.14 2kcv n LEU 53 Cb 0.29 -0.24 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 2kcv n LEU 53 CO 0.41 0.36 -0.05 0.47 -1.33 0.00 0.00 177.39 177.25 2kcv n ASP 54 N 0.26 -5.67 -3.18 -1.43 9.92 -1.07 -4.89 116.55 110.49 2kcv n ASP 54 Ca 0.09 0.12 -0.36 0.00 -0.53 0.00 0.00 54.79 54.11 2kcv n ASP 54 Cb 0.29 -3.60 -0.03 0.00 -0.64 0.00 0.00 41.12 37.14 2kcv n ASP 54 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2kcv n ARG 55 N -0.08 3.89 -0.24 -1.24 5.12 0.58 -4.68 116.66 120.00 2kcv n ARG 55 Ca -0.05 -2.88 -0.06 0.00 -1.93 0.00 0.00 57.85 52.93 2kcv n ARG 55 Cb 0.51 -2.54 0.09 0.00 -1.16 0.00 0.00 32.46 29.36 2kcv n ARG 55 CO 0.00 0.00 0.00 1.15 -1.93 0.00 0.00 177.63 176.85 2kcv h THR 56 N 2.53 1.26 -0.65 0.55 2.02 -1.88 -1.21 112.91 115.52 2kcv h THR 56 Ca 0.65 -0.89 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 2kcv h THR 56 Cb 0.45 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 2kcv h THR 56 CO 1.35 0.35 0.26 0.44 0.37 0.00 0.00 175.52 178.29 2kcv h ASP 57 N 1.05 0.90 -0.67 4.18 5.19 -1.95 -1.35 116.42 123.77 2kcv h ASP 57 Ca 0.23 -0.17 -0.04 0.00 -0.62 0.00 0.00 57.03 56.43 2kcv h ASP 57 Cb 0.30 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.55 2kcv h ASP 57 CO -0.01 0.83 0.28 0.44 -3.12 0.00 0.00 179.24 177.66 2kcv h ASP 58 N 0.92 0.92 -0.14 6.45 5.19 -1.87 -2.64 116.42 125.26 2kcv h ASP 58 Ca 0.22 -0.16 0.02 0.00 -0.62 0.00 0.00 57.03 56.48 2kcv h ASP 58 Cb 0.20 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.46 2kcv h ASP 58 CO -0.02 0.83 0.02 0.00 -3.12 0.00 0.00 179.24 176.95 2kcv h ALA 59 N 1.13 0.13 -0.89 3.45 0.00 -0.61 -1.07 119.26 121.40 2kcv h ALA 59 Ca 0.23 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.22 2kcv h ALA 59 Cb 0.19 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 2kcv h ALA 59 CO -0.02 -0.43 0.57 0.82 0.00 0.00 0.00 179.25 180.18 2kcv h ILE 60 N 0.07 1.09 -0.52 0.00 1.08 -1.16 -0.51 117.51 117.56 2kcv h ILE 60 Ca 0.06 -0.36 -0.11 0.00 -0.39 0.00 0.00 64.86 64.06 2kcv h ILE 60 Cb 0.06 -0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 33.73 2kcv h ILE 60 CO -0.09 0.19 -0.11 -0.78 -0.69 0.00 0.00 178.15 176.67 2kcv h ASP 61 N 1.06 1.00 -0.40 1.72 3.58 -1.19 -1.06 116.42 121.13 2kcv h ASP 61 Ca 0.37 -0.35 -0.14 0.00 0.42 0.00 0.00 57.03 57.33 2kcv h ASP 61 Cb 0.10 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 2kcv h ASP 61 CO -0.15 1.13 -0.28 0.74 -2.88 0.00 0.00 179.24 177.79 2kcv h THR 62 N 0.87 1.27 -0.49 2.25 2.02 -0.51 -1.27 112.91 117.05 2kcv h THR 62 Ca 0.13 -1.44 -0.13 0.00 0.77 0.00 0.00 66.41 65.74 2kcv h THR 62 Cb 0.68 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 2kcv h THR 62 CO 0.05 0.49 -0.21 1.88 0.37 0.00 0.00 175.52 178.10 2kcv h TYR 63 N 0.78 1.16 -0.73 3.16 0.05 -1.08 -0.52 116.97 119.79 2kcv h TYR 63 Ca 0.09 -0.28 0.02 0.00 0.05 0.00 0.00 58.73 58.61 2kcv h TYR 63 Cb 0.85 -0.27 -0.04 0.00 1.01 0.00 0.00 36.73 38.28 2kcv h TYR 63 CO 0.05 1.11 0.47 0.00 -1.05 0.00 0.00 178.16 178.75 2kcv h ALA 64 N 0.88 0.94 -0.47 3.88 0.00 -1.00 0.73 119.26 124.22 2kcv h ALA 64 Ca 0.11 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2kcv h ALA 64 Cb 0.79 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2kcv h ALA 64 CO 0.07 0.30 0.22 1.96 0.00 0.00 0.00 179.25 181.79 2kcv h GLN 65 N 0.94 0.69 -0.89 0.00 1.08 -1.12 -3.04 115.11 112.76 2kcv h GLN 65 Ca 0.28 -0.11 0.00 0.00 -1.45 0.00 0.00 58.65 57.38 2kcv h GLN 65 Cb -0.05 -0.12 -0.04 0.00 -0.05 0.00 0.00 27.48 27.22 2kcv h GLN 65 CO -0.08 0.59 0.56 0.78 -0.95 0.00 0.00 178.83 179.72 2kcv h GLY 66 N 0.62 1.28 0.74 3.46 0.00 -0.56 -3.01 103.07 105.59 2kcv h GLY 66 Ca 0.16 -0.51 0.05 0.00 0.00 0.00 0.00 47.33 47.04 2kcv h GLY 66 CO -0.02 0.50 0.45 -2.22 0.00 0.00 0.00 176.54 175.25 2kcv h ILE 67 N 1.22 1.03 -0.20 2.60 2.04 -0.76 0.36 117.51 123.80 2kcv h ILE 67 Ca 0.32 -0.29 0.01 0.00 1.00 0.00 0.00 64.86 65.91 2kcv h ILE 67 Cb -0.09 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.08 2kcv h ILE 67 CO -0.06 0.15 0.10 -0.33 0.00 0.00 0.00 178.15 178.01 2kcv h GLU 68 N 0.84 0.21 0.00 2.37 5.08 -1.49 -2.14 114.58 119.45 2kcv h GLU 68 Ca 0.33 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2kcv h GLU 68 Cb 0.14 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.35 2kcv h GLU 68 CO -0.16 0.14 -0.43 -0.39 -1.00 0.00 0.00 179.01 177.17 2kcv h VAL 69 N 0.21 0.00 -0.01 3.13 -1.51 -1.47 -3.23 116.25 113.37 2kcv h VAL 69 Ca 0.08 -0.93 -0.11 0.00 -1.23 0.00 0.00 66.70 64.51 2kcv h VAL 69 Cb 0.02 1.71 0.01 0.00 -2.13 0.00 0.00 31.29 30.89 2kcv h VAL 69 CO -0.05 0.00 -0.43 0.00 -1.23 0.00 0.00 177.57 175.86 2kcv h ALA 70 N 2.07 0.07 -0.40 5.19 0.00 -0.03 0.15 119.26 126.32 2kcv h ALA 70 Ca 0.00 -0.51 -0.10 0.00 0.00 0.00 0.00 54.91 54.30 2kcv h ALA 70 Cb 0.97 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2kcv h ALA 70 CO 0.00 0.23 -0.16 0.07 0.00 0.00 0.00 179.25 179.39 2kcv h ARG 71 N -0.25 0.74 0.00 0.00 0.11 -1.53 -2.76 114.38 110.69 2kcv h ARG 71 Ca -0.05 -0.27 -0.12 0.00 0.10 0.00 0.00 59.98 59.65 2kcv h ARG 71 Cb 1.15 -0.05 -0.02 0.00 1.11 0.00 0.00 29.97 32.16 2kcv h ARG 71 CO 0.08 0.86 -1.00 0.39 0.10 0.00 0.00 179.97 180.41 2kcv n GLU 72 N -4.14 0.51 0.03 0.08 1.02 -1.22 -4.76 120.64 112.16 2kcv n GLU 72 Ca 0.01 0.48 -0.22 0.00 -0.02 0.00 0.00 57.16 57.40 2kcv n GLU 72 Cb 0.39 -1.66 -0.14 0.00 -0.02 0.00 0.00 31.44 30.01 2kcv n GLU 72 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2kcv h GLU 73 N -1.00 0.30 0.00 3.49 4.39 -0.93 -3.48 114.58 117.36 2kcv h GLU 73 Ca -0.17 -0.52 0.00 0.00 0.34 0.00 0.00 59.36 59.01 2kcv h GLU 73 Cb 0.92 0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2kcv h GLU 73 CO -0.11 1.25 0.00 0.41 -1.16 0.00 0.00 179.01 179.40 2kcv n GLY 74 N 1.92 0.55 3.97 -3.84 0.00 -0.39 -5.00 105.19 102.41 2kcv n GLY 74 Ca -0.29 -1.86 -0.20 0.00 0.00 0.00 0.00 46.02 43.67 2kcv n GLY 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kcv s THR 75 N 0.71 2.39 0.52 2.61 -4.23 -1.20 -4.67 115.64 111.76 2kcv s THR 75 Ca 0.00 -1.16 0.19 0.00 -1.18 0.00 0.00 61.69 59.54 2kcv s THR 75 Cb 0.00 -2.54 0.31 0.00 1.34 0.00 0.00 72.50 71.61 2kcv s THR 75 CO 0.00 0.00 2.09 -0.61 -0.54 0.00 0.00 174.62 175.56 2kcv h GLN 76 N 0.57 0.03 -0.06 3.99 5.75 -1.92 -2.20 115.11 121.27 2kcv h GLN 76 Ca -0.36 -0.00 0.02 0.00 -0.15 0.00 0.00 58.65 58.16 2kcv h GLN 76 Cb 1.28 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.80 2kcv h GLN 76 CO 0.48 0.02 -0.08 -0.22 -2.65 0.00 0.00 178.83 176.38 2kcv h LYS 77 N 0.03 -0.10 -0.53 1.69 3.64 -1.95 -1.29 116.57 118.05 2kcv h LYS 77 Ca 0.09 0.01 -0.02 0.00 -1.27 0.00 0.00 60.65 59.46 2kcv h LYS 77 Cb 0.35 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 2kcv h LYS 77 CO -0.00 -0.07 0.26 -0.44 -2.27 0.00 0.00 179.45 176.93 2kcv h ASP 78 N -0.11 0.68 -0.17 4.20 5.19 -1.74 -1.39 116.42 123.09 2kcv h ASP 78 Ca 0.05 -0.12 0.02 0.00 -0.62 0.00 0.00 57.03 56.36 2kcv h ASP 78 Cb 0.18 -0.18 -0.02 0.00 0.18 0.00 0.00 39.33 39.49 2kcv h ASP 78 CO -0.12 0.61 0.03 0.25 -3.12 0.00 0.00 179.24 176.89 2kcv h LEU 79 N 0.71 0.01 -0.88 1.55 5.85 -1.37 -2.19 115.31 118.99 2kcv h LEU 79 Ca 0.18 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 2kcv h LEU 79 Cb 0.10 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.13 2kcv h LEU 79 CO -0.02 0.03 0.39 -1.28 -0.34 0.00 0.00 178.44 177.21 2kcv h SER 80 N 0.10 1.09 -0.17 1.25 0.87 -0.87 -2.04 113.55 113.79 2kcv h SER 80 Ca 0.08 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.49 2kcv h SER 80 Cb 0.07 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 2kcv h SER 80 CO -0.10 0.93 0.05 -0.33 -0.53 0.00 0.00 176.83 176.84 2kcv h GLU 81 N 1.18 0.26 -0.26 2.24 4.39 -1.04 -1.21 114.58 120.13 2kcv h GLU 81 Ca 0.28 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.78 2kcv h GLU 81 Cb 0.13 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.74 2kcv h GLU 81 CO -0.03 0.38 -0.43 -0.07 -1.16 0.00 0.00 179.01 177.69 2kcv h LEU 82 N 0.09 0.70 -0.42 1.33 3.38 -1.29 -0.26 115.31 118.86 2kcv h LEU 82 Ca 0.05 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.62 2kcv h LEU 82 Cb 0.23 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2kcv h LEU 82 CO -0.00 1.04 -0.03 1.56 0.09 0.00 0.00 178.44 181.10 2kcv h GLN 83 N 0.53 0.76 -0.24 1.13 4.20 -1.37 -2.83 115.11 117.29 2kcv h GLN 83 Ca 0.04 -0.26 -0.16 0.00 0.06 0.00 0.00 58.65 58.33 2kcv h GLN 83 Cb 0.97 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 2kcv h GLN 83 CO 0.09 0.85 -0.50 0.22 -0.67 0.00 0.00 178.83 178.82 2kcv h ASP 84 N 0.59 0.72 -0.38 1.46 3.58 -1.07 -2.84 116.42 118.47 2kcv h ASP 84 Ca 0.12 -0.36 -0.09 0.00 0.42 0.00 0.00 57.03 57.12 2kcv h ASP 84 Cb 0.53 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.36 2kcv h ASP 84 CO 0.03 1.09 -0.10 0.00 -2.88 0.00 0.00 179.24 177.38 2kcv h ALA 85 N 0.93 0.52 -0.36 -0.78 0.00 -1.07 -2.69 119.26 115.82 2kcv h ALA 85 Ca 0.02 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.47 2kcv h ALA 85 Cb 1.05 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2kcv h ALA 85 CO 0.10 0.38 -0.37 1.57 0.00 0.00 0.00 179.25 180.93 2kcv h LYS 86 N 0.53 0.85 -0.24 0.00 2.10 -1.53 -2.02 116.57 116.25 2kcv h LYS 86 Ca 0.09 -0.43 -0.12 0.00 -2.00 0.00 0.00 60.65 58.20 2kcv h LYS 86 Cb 0.62 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.94 2kcv h LYS 86 CO 0.04 1.07 -0.34 1.37 -2.00 0.00 0.00 179.45 179.59 2kcv h LEU 87 N 0.70 0.54 -0.34 7.07 8.10 -1.47 -2.45 115.31 127.44 2kcv h LEU 87 Ca 0.06 -0.21 -0.19 0.00 0.11 0.00 0.00 57.88 57.65 2kcv h LEU 87 Cb 0.94 -0.15 -0.01 0.00 -0.44 0.00 0.00 40.66 41.00 2kcv h LEU 87 CO 0.09 0.84 -0.83 0.07 -4.11 0.00 0.00 178.44 174.50 2kcv h LYS 88 N 0.44 0.21 0.00 0.17 5.09 -1.52 -3.21 116.57 117.75 2kcv h LYS 88 Ca 0.05 -0.21 -0.02 0.00 0.09 0.00 0.00 60.65 60.56 2kcv h LYS 88 Cb 0.80 0.06 -0.00 0.00 0.10 0.00 0.00 32.23 33.19 2kcv h LYS 88 CO 0.07 0.92 -0.10 0.00 -2.09 0.00 0.00 179.45 178.25 2kcv h ALA 89 N 1.01 1.47 -0.24 0.07 0.00 -1.06 -0.87 119.26 119.63 2kcv h ALA 89 Ca -0.04 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 54.85 2kcv h ALA 89 Cb 1.44 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.20 2kcv h ALA 89 CO 0.13 0.13 0.32 0.93 0.00 0.00 0.00 179.25 180.76 2kcv h GLU 90 N 0.00 0.00 0.00 0.00 4.39 -1.45 -1.64 114.58 115.89 2kcv h GLU 90 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2kcv h GLU 90 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2kcv h GLU 90 CO 0.01 0.00 -0.36 0.41 -1.16 0.00 0.00 179.01 177.92 2kcv n GLY 91 N -1.39 -1.33 0.06 -3.84 0.00 -0.33 -4.18 105.19 94.17 2kcv n GLY 91 Ca 0.03 -0.27 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 2kcv n GLY 91 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kcv h LEU 92 N 0.00 0.03 -7.37 0.99 3.38 -1.40 -3.45 115.31 107.49 2kcv h LEU 92 Ca 0.00 -0.29 -0.14 0.00 0.09 0.00 0.00 57.88 57.54 2kcv h LEU 92 Cb 0.51 -0.01 -0.25 0.00 0.09 0.00 0.00 40.66 41.00 2kcv h LEU 92 CO 0.00 0.32 -0.32 -1.83 0.09 0.00 0.00 178.44 176.70 2kcv s GLU 93 N -5.03 0.40 0.00 1.13 4.04 -1.26 -5.16 118.70 112.82 2kcv s GLU 93 Ca -0.15 0.50 0.00 0.00 0.04 0.00 0.00 54.97 55.36 2kcv s GLU 93 Cb 0.04 0.18 0.00 0.00 0.02 0.00 0.00 34.13 34.36 2kcv s GLU 93 CO 0.67 -0.06 0.00 0.72 -1.84 0.00 0.00 175.26 174.76 2kcv n HIS 94 N 2.99 0.00 -2.16 4.83 8.25 -1.26 -4.78 115.22 123.10 2kcv n HIS 94 Ca -0.14 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.90 2kcv n HIS 94 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 2kcv n HIS 94 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kcv n HIS 95 N 2.64 4.04 0.46 4.41 8.25 -1.26 -4.70 115.22 129.06 2kcv n HIS 95 Ca 0.00 -2.93 0.13 0.00 -0.26 0.00 0.00 57.72 54.66 2kcv n HIS 95 Cb 0.00 -2.56 0.39 0.00 1.12 0.00 0.00 29.99 28.94 2kcv n HIS 95 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 2kcv h HIS 96 N 6.69 0.00 -0.92 4.41 2.07 -1.96 -3.09 115.15 122.37 2kcv h HIS 96 Ca 0.50 0.00 -0.62 0.00 -2.85 0.00 0.00 60.37 57.40 2kcv h HIS 96 Cb 0.74 0.00 -0.32 0.00 2.57 0.00 0.00 27.41 30.41 2kcv h HIS 96 CO 1.43 0.00 0.42 1.58 -3.07 0.00 0.00 177.93 178.29 2kcv n HIS 97 N -2.54 3.03 -0.56 6.12 -0.00 -1.26 -5.03 115.22 114.99 2kcv n HIS 97 Ca 0.04 -2.73 -0.03 0.00 -0.00 0.00 0.00 57.72 55.01 2kcv n HIS 97 Cb 0.41 -1.13 0.02 0.00 -0.00 0.00 0.00 29.99 29.30 2kcv n HIS 97 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2kcv n HIS 98 N -0.89 -3.10 0.00 1.57 1.44 -1.17 -5.29 115.22 107.79 2kcv n HIS 98 Ca 0.57 -0.09 0.00 0.00 -2.01 0.00 0.00 57.72 56.20 2kcv n HIS 98 Cb 0.80 -0.10 0.00 0.00 0.12 0.00 0.00 29.99 30.82 2kcv n HIS 98 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11