#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 4.14 0.00 1.62 1.01 -1.26 -4.91 116.67 117.27 2kcv s ASP 2 Ca 0.00 2.26 0.06 0.00 0.71 0.00 0.00 52.55 55.58 2kcv s ASP 2 Cb 0.00 -2.58 0.36 0.00 1.01 0.00 0.00 42.92 41.71 2kcv s ASP 2 CO 0.00 -2.29 0.75 -0.81 0.21 0.00 0.00 175.17 173.03 2kcv n PRO 3 N -2.94 0.31 0.11 8.23 -0.04 -1.26 -1.53 135.00 137.88 2kcv n PRO 3 Ca 0.13 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.57 2kcv n PRO 3 Cb 0.51 -1.30 -0.03 0.00 -0.04 0.00 0.00 33.50 32.63 2kcv n PRO 3 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2kcv h GLU 4 N 0.00 0.00 -6.73 0.54 4.39 -1.97 -3.36 114.58 107.45 2kcv h GLU 4 Ca 0.00 0.00 -0.53 0.00 0.34 0.00 0.00 59.36 59.17 2kcv h GLU 4 Cb 0.00 0.00 0.07 0.00 -0.10 0.00 0.00 28.75 28.72 2kcv h GLU 4 CO 0.00 0.68 0.95 -3.47 -1.16 0.00 0.00 179.01 176.01 2kcv n ASP 5 N -3.26 3.96 -0.08 1.42 2.03 -0.58 -4.89 116.55 115.15 2kcv n ASP 5 Ca 0.01 1.11 -0.10 0.00 0.52 0.00 0.00 54.79 56.33 2kcv n ASP 5 Cb 0.82 -1.59 -0.04 0.00 -0.72 0.00 0.00 41.12 39.59 2kcv n ASP 5 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2kcv h PRO 6 N 5.77 -0.33 -0.93 -0.67 0.13 -1.90 -1.57 132.00 132.50 2kcv h PRO 6 Ca -0.45 0.02 -0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2kcv h PRO 6 Cb 1.21 0.07 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 2kcv h PRO 6 CO 0.87 -0.22 0.58 0.35 -0.23 0.00 0.00 178.00 179.35 2kcv h PHE 7 N -0.34 1.21 -0.13 1.56 3.57 -1.96 -1.41 116.94 119.44 2kcv h PHE 7 Ca 0.13 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.61 2kcv h PHE 7 Cb 0.57 -0.40 -0.00 0.00 2.79 0.00 0.00 35.95 38.90 2kcv h PHE 7 CO -0.53 0.79 -0.02 1.15 -2.23 0.00 0.00 178.31 177.46 2kcv h THR 8 N 1.28 1.28 0.00 4.41 2.02 -1.74 -1.29 112.91 118.87 2kcv h THR 8 Ca 0.34 -0.94 -0.11 0.00 0.77 0.00 0.00 66.41 66.47 2kcv h THR 8 Cb -0.08 1.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.96 2kcv h THR 8 CO -0.07 0.27 -0.51 0.08 0.37 0.00 0.00 175.52 175.67 2kcv h ARG 9 N -0.06 0.00 0.26 6.66 0.11 -1.28 -0.33 114.38 119.73 2kcv h ARG 9 Ca 0.03 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.10 2kcv h ARG 9 Cb 0.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.51 2kcv h ARG 9 CO 0.01 0.51 -0.12 -0.92 0.10 0.00 0.00 179.97 179.54 2kcv h TYR 10 N 0.00 -0.32 -0.70 4.08 3.20 -1.19 -0.54 116.97 121.51 2kcv h TYR 10 Ca -0.01 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 2kcv h TYR 10 Cb 1.11 0.11 -0.03 0.00 1.54 0.00 0.00 36.73 39.45 2kcv h TYR 10 CO 0.00 -0.08 0.29 0.00 -1.64 0.00 0.00 178.16 176.73 2kcv h ALA 11 N 0.16 1.19 -0.23 1.82 0.00 -1.16 -2.10 119.26 118.94 2kcv h ALA 11 Ca -0.04 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 2kcv h ALA 11 Cb 0.39 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2kcv h ALA 11 CO 0.06 0.59 -0.26 1.25 0.00 0.00 0.00 179.25 180.89 2kcv h LEU 12 N 1.01 0.44 -0.24 0.00 5.85 -1.03 -1.13 115.31 120.21 2kcv h LEU 12 Ca 0.24 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 2kcv h LEU 12 Cb 0.18 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 2kcv h LEU 12 CO -0.02 0.70 -0.01 0.00 -0.34 0.00 0.00 178.44 178.76 2kcv h ALA 13 N 1.34 0.33 -0.34 1.25 0.00 -0.71 -0.34 119.26 120.78 2kcv h ALA 13 Ca 0.06 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2kcv h ALA 13 Cb 0.66 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2kcv h ALA 13 CO 0.05 0.07 0.16 1.96 0.00 0.00 0.00 179.25 181.49 2kcv h GLN 14 N 0.20 0.47 -0.12 0.00 4.20 -1.13 -1.86 115.11 116.88 2kcv h GLN 14 Ca 0.07 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 2kcv h GLN 14 Cb 0.43 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.11 2kcv h GLN 14 CO 0.01 0.38 -0.03 0.93 -0.67 0.00 0.00 178.83 179.45 2kcv h GLU 15 N 0.48 0.23 -0.52 1.46 5.08 -1.01 -3.21 114.58 117.09 2kcv h GLU 15 Ca 0.12 -0.09 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 2kcv h GLU 15 Cb 0.06 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2kcv h GLU 15 CO -0.02 0.53 0.35 0.45 -1.00 0.00 0.00 179.01 179.32 2kcv h HIS 16 N -0.09 0.35 -0.47 4.33 3.86 -0.40 -0.45 115.15 122.28 2kcv h HIS 16 Ca 0.03 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2kcv h HIS 16 Cb 0.45 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.78 2kcv h HIS 16 CO 0.05 0.18 0.31 -0.07 0.86 0.00 0.00 177.93 179.26 2kcv h LEU 17 N 0.34 0.55 -0.69 2.43 3.38 -1.37 0.48 115.31 120.43 2kcv h LEU 17 Ca 0.24 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 2kcv h LEU 17 Cb 0.49 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2kcv h LEU 17 CO -0.06 0.41 -0.46 0.11 0.09 0.00 0.00 178.44 178.54 2kcv h LYS 18 N 0.64 0.47 -0.49 1.13 1.57 -1.19 -2.71 116.57 115.98 2kcv h LYS 18 Ca 0.17 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2kcv h LYS 18 Cb -0.06 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2kcv h LYS 18 CO -0.04 0.83 0.00 0.72 -0.57 0.00 0.00 179.45 180.40 2kcv n HIS 19 N -4.00 0.49 -0.05 -1.35 8.25 -0.32 -4.91 115.22 113.33 2kcv n HIS 19 Ca -0.02 -0.20 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 2kcv n HIS 19 Cb 0.54 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.55 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 0.23 0.00 -2.62 0.41 2.03 -0.22 -4.88 116.55 111.49 2kcv n ASP 20 Ca 0.09 0.00 -0.24 0.00 0.52 0.00 0.00 54.79 55.16 2kcv n ASP 20 Cb 0.36 -0.41 -0.10 0.00 -0.72 0.00 0.00 41.12 40.25 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 6.74 0.19 1.67 5.03 0.15 -4.63 115.26 124.41 2kcv n ASN 21 Ca 0.00 -2.50 0.04 0.00 0.87 0.00 0.00 54.58 52.99 2kcv n ASN 21 Cb 0.00 -1.45 0.44 0.00 -1.02 0.00 0.00 39.78 37.74 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 4.03 1.57 -0.31 5.41 0.00 -1.86 -1.50 119.26 126.59 2kcv h ALA 22 Ca 0.50 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 55.20 2kcv h ALA 22 Cb 0.91 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2kcv h ALA 22 CO 0.96 0.32 0.18 0.77 0.00 0.00 0.00 179.25 181.49 2kcv h SER 23 N 0.05 0.30 0.24 0.00 0.02 -1.93 0.87 113.55 113.10 2kcv h SER 23 Ca 0.01 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.83 2kcv h SER 23 Cb 0.43 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 2kcv h SER 23 CO 0.03 0.22 -0.48 0.03 -1.14 0.00 0.00 176.83 175.49 2kcv h ARG 24 N 0.38 0.28 -0.62 3.45 2.47 -1.79 -2.24 114.38 116.31 2kcv h ARG 24 Ca 0.12 -0.16 -0.10 0.00 -1.26 0.00 0.00 59.98 58.59 2kcv h ARG 24 Cb -0.01 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.30 2kcv h ARG 24 CO -0.05 0.71 0.01 0.00 0.56 0.00 0.00 179.97 181.20 2kcv h ALA 25 N 1.27 0.84 -0.15 0.04 0.00 -1.15 -2.47 119.26 117.64 2kcv h ALA 25 Ca 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2kcv h ALA 25 Cb 0.94 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2kcv h ALA 25 CO 0.08 0.68 0.05 1.25 0.00 0.00 0.00 179.25 181.30 2kcv h LEU 26 N 0.99 0.21 -0.40 0.00 5.85 -0.57 -1.70 115.31 119.69 2kcv h LEU 26 Ca 0.18 -0.19 0.06 0.00 0.84 0.00 0.00 57.88 58.77 2kcv h LEU 26 Cb 0.56 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 2kcv h LEU 26 CO 0.03 0.34 0.09 0.00 -0.34 0.00 0.00 178.44 178.56 2kcv h ALA 27 N 0.88 0.44 -0.51 1.25 0.00 -1.41 -1.21 119.26 118.70 2kcv h ALA 27 Ca 0.05 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2kcv h ALA 27 Cb 0.20 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2kcv h ALA 27 CO -0.00 -0.31 0.27 -0.07 0.00 0.00 0.00 179.25 179.14 2kcv h LEU 28 N 0.22 0.64 -0.35 0.00 3.38 -1.18 -0.82 115.31 117.20 2kcv h LEU 28 Ca 0.19 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.01 2kcv h LEU 28 Cb 0.23 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2kcv h LEU 28 CO -0.25 0.55 0.00 -0.26 0.09 0.00 0.00 178.44 178.58 2kcv h PHE 29 N 0.68 0.66 -0.51 1.13 0.04 -1.13 -1.85 116.94 115.96 2kcv h PHE 29 Ca 0.18 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 2kcv h PHE 29 Cb 0.06 -0.17 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 2kcv h PHE 29 CO -0.02 0.71 0.27 0.93 -0.60 0.00 0.00 178.31 179.61 2kcv h GLU 30 N 0.42 0.69 -0.30 1.51 5.08 -1.10 -2.11 114.58 118.78 2kcv h GLU 30 Ca 0.10 -0.07 -0.14 0.00 -1.00 0.00 0.00 59.36 58.25 2kcv h GLU 30 Cb 0.45 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2kcv h GLU 30 CO 0.02 0.52 -0.37 1.49 -1.00 0.00 0.00 179.01 179.66 2kcv h GLU 31 N 0.70 0.69 -0.07 2.33 4.57 -0.94 -2.83 114.58 119.03 2kcv h GLU 31 Ca 0.18 -0.34 -0.00 0.00 -1.18 0.00 0.00 59.36 58.02 2kcv h GLU 31 Cb 0.03 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.62 2kcv h GLU 31 CO -0.03 0.95 0.04 -0.07 -1.18 0.00 0.00 179.01 178.72 2kcv h LEU 32 N 0.57 0.08 0.26 1.64 3.38 -0.87 -2.51 115.31 117.86 2kcv h LEU 32 Ca 0.05 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2kcv h LEU 32 Cb 0.90 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 2kcv h LEU 32 CO 0.08 0.12 -0.30 0.58 0.09 0.00 0.00 178.44 179.01 2kcv h VAL 33 N 0.03 0.36 -0.74 1.22 2.07 -1.34 0.91 116.25 118.76 2kcv h VAL 33 Ca 0.02 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 2kcv h VAL 33 Cb 0.06 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 2kcv h VAL 33 CO -0.00 0.00 0.25 1.05 0.02 0.00 0.00 177.57 178.89 2kcv h GLU 34 N -0.61 1.13 0.14 1.57 4.11 -1.54 -3.11 114.58 116.28 2kcv h GLU 34 Ca -0.00 -0.23 -0.28 0.00 0.07 0.00 0.00 59.36 58.92 2kcv h GLU 34 Cb 0.57 -0.17 0.01 0.00 0.50 0.00 0.00 28.75 29.66 2kcv h GLU 34 CO -0.09 0.95 -1.25 1.79 0.07 0.00 0.00 179.01 180.48 2kcv h THR 35 N 1.08 1.47 -2.60 -1.06 1.35 -1.42 -3.44 112.91 108.30 2kcv h THR 35 Ca 0.24 -2.99 -0.52 0.00 -0.55 0.00 0.00 66.41 62.58 2kcv h THR 35 Cb 0.28 2.93 -0.38 0.00 -1.73 0.00 0.00 68.15 69.25 2kcv h THR 35 CO -0.01 0.88 -0.79 -0.62 -0.25 0.00 0.00 175.52 174.73 2kcv s ASP 36 N -7.20 2.99 0.42 5.36 2.15 0.31 -4.99 116.67 115.71 2kcv s ASP 36 Ca -0.05 -1.61 0.29 0.00 0.43 0.00 0.00 52.55 51.62 2kcv s ASP 36 Cb 0.07 -0.23 1.15 0.00 -0.30 0.00 0.00 42.92 43.61 2kcv s ASP 36 CO 0.89 -0.37 1.85 1.55 -0.17 0.00 0.00 175.17 178.92 2kcv h PRO 37 N 7.77 0.00 -0.38 4.34 0.13 -1.74 -3.22 132.00 138.91 2kcv h PRO 37 Ca -0.08 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.99 2kcv h PRO 37 Cb 1.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.11 2kcv h PRO 37 CO 0.35 0.00 -0.01 0.22 -0.23 0.00 0.00 178.00 178.32 2kcv h ASP 38 N 0.00 0.57 -0.54 1.44 1.82 -1.91 -3.40 116.42 114.39 2kcv h ASP 38 Ca 0.00 -0.12 -0.23 0.00 -0.39 0.00 0.00 57.03 56.29 2kcv h ASP 38 Cb 0.49 -0.15 -0.03 0.00 0.68 0.00 0.00 39.33 40.31 2kcv h ASP 38 CO 0.00 0.65 0.64 -0.47 -1.61 0.00 0.00 179.24 178.45 2kcv s TYR 39 N -4.95 1.68 0.27 0.28 6.14 -1.21 -4.75 117.35 114.81 2kcv s TYR 39 Ca -0.08 0.96 0.02 0.00 0.64 0.00 0.00 57.07 58.61 2kcv s TYR 39 Cb 0.15 -3.87 0.39 0.00 0.42 0.00 0.00 41.96 39.05 2kcv s TYR 39 CO 0.78 -1.49 1.71 0.28 0.64 0.00 0.00 175.55 177.47 2kcv h VAL 40 N 7.02 1.27 -0.13 3.14 2.07 -1.91 -2.98 116.25 124.73 2kcv h VAL 40 Ca 0.10 -1.30 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 2kcv h VAL 40 Cb 0.99 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2kcv h VAL 40 CO 1.16 0.41 0.01 1.23 0.02 0.00 0.00 177.57 180.40 2kcv h GLY 41 N 1.02 0.19 0.91 2.17 0.00 -1.97 -2.14 103.07 103.25 2kcv h GLY 41 Ca 0.06 -0.08 0.01 0.00 0.00 0.00 0.00 47.33 47.32 2kcv h GLY 41 CO 0.05 0.08 -0.02 -0.84 0.00 0.00 0.00 176.54 175.82 2kcv h THR 42 N 0.18 0.94 -0.51 4.70 2.02 -1.92 -2.79 112.91 115.53 2kcv h THR 42 Ca 0.04 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.25 2kcv h THR 42 Cb 0.11 0.94 -0.03 0.00 -1.74 0.00 0.00 68.15 67.43 2kcv h THR 42 CO 0.00 0.00 0.30 1.88 0.37 0.00 0.00 175.52 178.07 2kcv h TYR 43 N -0.02 0.56 -0.06 3.16 -1.99 -1.49 0.28 116.97 117.41 2kcv h TYR 43 Ca 0.02 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.79 2kcv h TYR 43 Cb 0.05 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.57 2kcv h TYR 43 CO -0.11 0.32 -0.06 -0.92 -0.00 0.00 0.00 178.16 177.39 2kcv h TYR 44 N 0.60 -0.14 -0.00 4.88 3.20 -1.57 -1.11 116.97 122.83 2kcv h TYR 44 Ca 0.21 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.94 2kcv h TYR 44 Cb 0.03 0.07 -0.02 0.00 1.54 0.00 0.00 36.73 38.35 2kcv h TYR 44 CO -0.07 -0.09 -0.70 0.45 -1.64 0.00 0.00 178.16 176.11 2kcv h HIS 45 N -0.07 0.00 -0.08 -3.82 3.86 -1.15 -1.43 115.15 112.46 2kcv h HIS 45 Ca 0.05 -0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 59.03 2kcv h HIS 45 Cb 0.14 -0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.62 2kcv h HIS 45 CO -0.16 0.70 -0.86 1.25 0.86 0.00 0.00 177.93 179.72 2kcv h LEU 46 N 0.00 0.79 -0.27 2.43 5.85 -0.44 -2.60 115.31 121.08 2kcv h LEU 46 Ca -0.01 -0.56 -0.13 0.00 0.84 0.00 0.00 57.88 58.02 2kcv h LEU 46 Cb 1.23 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 42.02 2kcv h LEU 46 CO 0.09 1.35 -0.34 1.23 -0.34 0.00 0.00 178.44 180.44 2kcv h GLY 47 N 0.76 0.77 1.29 3.75 0.00 -1.10 -1.38 103.07 107.16 2kcv h GLY 47 Ca -0.07 -0.83 -0.03 0.00 0.00 0.00 0.00 47.33 46.40 2kcv h GLY 47 CO 0.17 0.75 0.29 0.50 0.00 0.00 0.00 176.54 178.24 2kcv h LYS 48 N 0.44 0.91 -0.43 4.80 1.79 -1.31 -0.96 116.57 121.81 2kcv h LYS 48 Ca 0.03 -0.13 -0.10 0.00 -2.18 0.00 0.00 60.65 58.28 2kcv h LYS 48 Cb 0.92 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.39 2kcv h LYS 48 CO 0.08 0.72 -0.13 1.25 -1.08 0.00 0.00 179.45 180.29 2kcv h LEU 49 N 0.91 0.86 -0.58 2.94 5.85 -1.39 -2.96 115.31 120.93 2kcv h LEU 49 Ca 0.22 -0.37 0.06 0.00 0.84 0.00 0.00 57.88 58.63 2kcv h LEU 49 Cb 0.12 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 2kcv h LEU 49 CO -0.03 1.03 0.29 1.88 -0.34 0.00 0.00 178.44 181.28 2kcv h TYR 50 N 0.67 0.54 -0.79 1.25 0.05 -0.65 -1.53 116.97 116.51 2kcv h TYR 50 Ca 0.11 0.02 0.09 0.00 0.05 0.00 0.00 58.73 59.00 2kcv h TYR 50 Cb 0.67 -0.16 -0.07 0.00 1.01 0.00 0.00 36.73 38.18 2kcv h TYR 50 CO 0.05 0.25 0.44 0.93 -1.05 0.00 0.00 178.16 178.77 2kcv h GLU 51 N 0.55 0.72 -0.22 4.88 5.08 -1.12 0.21 114.58 124.69 2kcv h GLU 51 Ca 0.26 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.46 2kcv h GLU 51 Cb 0.19 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 2kcv h GLU 51 CO -0.19 0.48 -0.36 0.00 -1.00 0.00 0.00 179.01 177.94 2kcv h ARG 52 N 0.74 0.48 -0.26 2.33 3.08 -1.29 -2.70 114.38 116.76 2kcv h ARG 52 Ca 0.38 -0.22 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2kcv h ARG 52 Cb 0.35 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.39 2kcv h ARG 52 CO -0.25 0.77 0.00 1.28 -1.07 0.00 0.00 179.97 180.71 2kcv n LEU 53 N -4.05 0.95 -0.51 3.04 4.77 -0.62 -4.88 117.00 115.70 2kcv n LEU 53 Ca -0.01 -0.47 -0.07 0.00 -0.03 0.00 0.00 56.01 55.43 2kcv n LEU 53 Cb 0.48 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.38 2kcv n LEU 53 CO 0.44 0.21 -0.06 0.47 -1.33 0.00 0.00 177.39 177.12 2kcv n ASP 54 N -0.05 -5.22 -2.82 -1.43 8.00 -0.94 -4.89 116.55 109.20 2kcv n ASP 54 Ca 0.05 0.16 -0.35 0.00 0.71 0.00 0.00 54.79 55.37 2kcv n ASP 54 Cb 0.17 -3.31 -0.01 0.00 -0.02 0.00 0.00 41.12 37.96 2kcv n ASP 54 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kcv n ARG 55 N -0.91 2.89 0.05 -1.24 5.12 0.65 -4.69 116.66 118.54 2kcv n ARG 55 Ca -0.07 -3.10 0.00 0.00 -1.93 0.00 0.00 57.85 52.76 2kcv n ARG 55 Cb 0.46 -2.25 0.32 0.00 -1.16 0.00 0.00 32.46 29.82 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 2.05 1.20 -0.62 0.55 2.02 -1.85 -0.89 112.91 115.37 2kcv h THR 56 Ca 0.50 -0.87 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 2kcv h THR 56 Cb 0.35 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.85 2kcv h THR 56 CO 1.19 0.28 0.34 -0.78 0.37 0.00 0.00 175.52 176.92 2kcv h ASP 57 N 0.37 0.77 -0.76 4.18 3.58 -1.94 -0.73 116.42 121.89 2kcv h ASP 57 Ca 0.08 -0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.40 2kcv h ASP 57 Cb 0.40 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.22 2kcv h ASP 57 CO 0.02 0.64 0.33 0.44 -2.88 0.00 0.00 179.24 177.79 2kcv h ASP 58 N 0.84 1.02 -0.05 2.28 5.19 -1.80 -3.05 116.42 120.85 2kcv h ASP 58 Ca 0.22 -0.16 -0.00 0.00 -0.62 0.00 0.00 57.03 56.47 2kcv h ASP 58 Cb 0.04 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.28 2kcv h ASP 58 CO -0.04 0.90 0.03 0.00 -3.12 0.00 0.00 179.24 177.01 2kcv h ALA 59 N 1.17 0.06 -1.00 3.45 0.00 -0.47 -0.72 119.26 121.74 2kcv h ALA 59 Ca 0.26 -0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.20 2kcv h ALA 59 Cb 0.18 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.88 2kcv h ALA 59 CO -0.03 -0.41 0.64 0.82 0.00 0.00 0.00 179.25 180.28 2kcv h ILE 60 N 0.01 1.05 -0.07 0.00 1.08 -1.16 -0.22 117.51 118.20 2kcv h ILE 60 Ca 0.02 -0.39 -0.18 0.00 -0.39 0.00 0.00 64.86 63.91 2kcv h ILE 60 Cb 0.06 -0.18 -0.01 0.00 -3.07 0.00 0.00 36.82 33.63 2kcv h ILE 60 CO -0.00 0.21 -0.74 -0.78 -0.69 0.00 0.00 178.15 176.14 2kcv h ASP 61 N 1.13 0.45 -0.01 1.72 3.58 -1.39 -0.86 116.42 121.04 2kcv h ASP 61 Ca 0.44 -0.30 -0.19 0.00 0.42 0.00 0.00 57.03 57.41 2kcv h ASP 61 Cb 0.23 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 2kcv h ASP 61 CO -0.19 1.04 -0.66 0.74 -2.88 0.00 0.00 179.24 177.29 2kcv h THR 62 N 0.25 1.32 -0.30 2.25 2.02 -0.39 -1.18 112.91 116.89 2kcv h THR 62 Ca -0.03 -1.92 -0.15 0.00 0.77 0.00 0.00 66.41 65.08 2kcv h THR 62 Cb 1.32 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 69.61 2kcv h THR 62 CO 0.12 0.60 -0.40 1.88 0.37 0.00 0.00 175.52 178.09 2kcv h TYR 63 N 0.46 0.87 -0.13 3.16 0.05 -1.05 -0.31 116.97 120.01 2kcv h TYR 63 Ca -0.02 -0.26 0.00 0.00 0.05 0.00 0.00 58.73 58.51 2kcv h TYR 63 Cb 1.24 -0.18 -0.01 0.00 1.01 0.00 0.00 36.73 38.79 2kcv h TYR 63 CO 0.06 1.01 0.07 0.00 -1.05 0.00 0.00 178.16 178.26 2kcv h ALA 64 N 0.95 0.16 -0.98 3.88 0.00 -1.06 0.14 119.26 122.36 2kcv h ALA 64 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2kcv h ALA 64 Cb 0.95 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 2kcv h ALA 64 CO 0.09 -0.37 0.62 1.96 0.00 0.00 0.00 179.25 181.56 2kcv h GLN 65 N 0.16 1.30 -0.64 0.00 1.08 -1.20 -2.62 115.11 113.19 2kcv h GLN 65 Ca 0.05 -0.09 0.01 0.00 -1.45 0.00 0.00 58.65 57.17 2kcv h GLN 65 Cb -0.00 -0.28 -0.03 0.00 -0.05 0.00 0.00 27.48 27.11 2kcv h GLN 65 CO -0.02 0.88 0.42 0.78 -0.95 0.00 0.00 178.83 179.93 2kcv h GLY 66 N 1.33 0.91 1.01 3.46 0.00 -0.67 -3.01 103.07 106.10 2kcv h GLY 66 Ca 0.35 -0.32 0.01 0.00 0.00 0.00 0.00 47.33 47.37 2kcv h GLY 66 CO -0.07 0.31 0.66 -2.22 0.00 0.00 0.00 176.54 175.22 2kcv h ILE 67 N 0.84 1.26 -0.49 2.60 2.04 -0.35 0.33 117.51 123.74 2kcv h ILE 67 Ca 0.24 -0.47 -0.03 0.00 1.00 0.00 0.00 64.86 65.60 2kcv h ILE 67 Cb -0.06 -0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 35.78 2kcv h ILE 67 CO -0.07 0.25 0.21 -0.33 0.00 0.00 0.00 178.15 178.21 2kcv h GLU 68 N 1.36 0.73 0.00 2.37 5.08 -1.40 -2.55 114.58 120.18 2kcv h GLU 68 Ca 0.37 -0.13 -0.04 0.00 -1.00 0.00 0.00 59.36 58.56 2kcv h GLU 68 Cb -0.15 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 28.97 2kcv h GLU 68 CO -0.08 0.64 -0.59 -0.39 -1.00 0.00 0.00 179.01 177.59 2kcv h VAL 69 N 0.66 0.20 -0.07 3.13 -1.51 -1.36 -3.33 116.25 113.96 2kcv h VAL 69 Ca 0.17 -1.32 -0.20 0.00 -1.23 0.00 0.00 66.70 64.11 2kcv h VAL 69 Cb 0.18 1.90 0.01 0.00 -2.13 0.00 0.00 31.29 31.25 2kcv h VAL 69 CO -0.02 0.12 -0.75 0.00 -1.23 0.00 0.00 177.57 175.69 2kcv h ALA 70 N 1.85 0.19 -0.54 5.19 0.00 -0.16 0.99 119.26 126.78 2kcv h ALA 70 Ca -0.02 -0.60 -0.10 0.00 0.00 0.00 0.00 54.91 54.19 2kcv h ALA 70 Cb 1.14 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2kcv h ALA 70 CO 0.02 0.55 -0.07 0.07 0.00 0.00 0.00 179.25 179.82 2kcv h ARG 71 N 0.29 0.97 0.00 0.00 0.11 -1.62 -2.89 114.38 111.25 2kcv h ARG 71 Ca -0.07 -0.33 -0.11 0.00 0.10 0.00 0.00 59.98 59.57 2kcv h ARG 71 Cb 1.41 -0.08 -0.02 0.00 1.11 0.00 0.00 29.97 32.39 2kcv h ARG 71 CO 0.15 1.00 -0.83 0.93 0.10 0.00 0.00 179.97 181.32 2kcv h GLU 72 N 0.88 0.00 0.12 0.08 4.39 -1.67 -3.43 114.58 114.95 2kcv h GLU 72 Ca 0.15 0.00 -0.35 0.00 0.34 0.00 0.00 59.36 59.50 2kcv h GLU 72 Cb 0.61 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 2kcv h GLU 72 CO 0.04 0.50 -1.91 0.93 -1.16 0.00 0.00 179.01 177.40 2kcv h GLU 73 N -1.00 0.26 0.00 2.33 4.39 -1.01 -3.48 114.58 116.07 2kcv h GLU 73 Ca -0.17 -0.44 0.00 0.00 0.34 0.00 0.00 59.36 59.10 2kcv h GLU 73 Cb 0.88 0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.69 2kcv h GLU 73 CO -0.10 1.21 0.00 0.41 -1.16 0.00 0.00 179.01 179.37 2kcv n GLY 74 N 1.94 0.62 4.00 -3.84 0.00 -0.85 -5.01 105.19 102.03 2kcv n GLY 74 Ca -0.31 -1.93 -0.20 0.00 0.00 0.00 0.00 46.02 43.58 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 0.17 2.60 0.45 2.61 -4.23 -1.22 -4.61 115.64 111.42 2kcv s THR 75 Ca 0.00 -0.81 0.18 0.00 -1.18 0.00 0.00 61.69 59.88 2kcv s THR 75 Cb 0.00 -2.79 0.22 0.00 1.34 0.00 0.00 72.50 71.26 2kcv s THR 75 CO 0.00 0.00 2.03 -0.61 -0.54 0.00 0.00 174.62 175.50 2kcv h GLN 76 N 0.17 0.00 -0.21 3.99 4.15 -1.90 -2.44 115.11 118.86 2kcv h GLN 76 Ca -0.39 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.05 2kcv h GLN 76 Cb 1.29 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.96 2kcv h GLN 76 CO 0.46 0.16 0.10 -0.22 -1.93 0.00 0.00 178.83 177.40 2kcv h LYS 77 N 0.00 0.21 -0.40 1.69 3.64 -1.95 0.69 116.57 120.46 2kcv h LYS 77 Ca -0.00 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2kcv h LYS 77 Cb 0.30 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.05 2kcv h LYS 77 CO 0.02 0.14 0.26 -0.44 -2.27 0.00 0.00 179.45 177.16 2kcv h ASP 78 N 0.21 0.45 -0.33 4.20 3.32 -1.81 -2.06 116.42 120.41 2kcv h ASP 78 Ca 0.09 -0.01 0.05 0.00 0.02 0.00 0.00 57.03 57.18 2kcv h ASP 78 Cb 0.03 -0.11 -0.05 0.00 0.22 0.00 0.00 39.33 39.42 2kcv h ASP 78 CO -0.06 0.33 0.04 0.25 -1.72 0.00 0.00 179.24 178.07 2kcv h LEU 79 N 0.53 -0.05 -1.19 1.55 5.85 -1.14 -2.57 115.31 118.29 2kcv h LEU 79 Ca 0.15 0.06 -0.08 0.00 0.84 0.00 0.00 57.88 58.85 2kcv h LEU 79 Cb -0.06 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2kcv h LEU 79 CO -0.03 0.01 -0.30 0.28 -0.34 0.00 0.00 178.44 178.06 2kcv h SER 80 N 0.14 0.18 -0.35 1.25 0.02 -0.64 -1.46 113.55 112.69 2kcv h SER 80 Ca 0.16 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 2kcv h SER 80 Cb 0.19 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2kcv h SER 80 CO -0.23 0.48 0.08 -0.33 -1.14 0.00 0.00 176.83 175.69 2kcv h GLU 81 N 0.16 0.56 -0.15 3.45 4.39 -1.05 -1.85 114.58 120.09 2kcv h GLU 81 Ca 0.02 -0.14 -0.21 0.00 0.34 0.00 0.00 59.36 59.38 2kcv h GLU 81 Cb 0.62 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2kcv h GLU 81 CO 0.04 0.61 -0.74 -0.07 -1.16 0.00 0.00 179.01 177.70 2kcv h LEU 82 N 0.41 0.82 -0.14 1.33 3.38 -1.13 -0.81 115.31 119.18 2kcv h LEU 82 Ca 0.11 -0.53 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 2kcv h LEU 82 Cb 0.31 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2kcv h LEU 82 CO 0.00 1.31 0.04 1.56 0.09 0.00 0.00 178.44 181.44 2kcv h GLN 83 N 0.48 0.22 -0.51 1.13 4.20 -1.33 -2.24 115.11 117.06 2kcv h GLN 83 Ca -0.04 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2kcv h GLN 83 Cb 1.35 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.08 2kcv h GLN 83 CO 0.15 0.36 0.30 0.22 -0.67 0.00 0.00 178.83 179.19 2kcv h ASP 84 N 0.03 0.62 -0.39 1.46 3.58 -1.34 -2.65 116.42 117.74 2kcv h ASP 84 Ca 0.04 -0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.38 2kcv h ASP 84 Cb 0.24 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 2kcv h ASP 84 CO -0.00 0.51 0.09 0.00 -2.88 0.00 0.00 179.24 176.96 2kcv h ALA 85 N 1.14 0.51 -0.41 -0.78 0.00 -1.07 -2.62 119.26 116.02 2kcv h ALA 85 Ca 0.18 -0.19 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2kcv h ALA 85 Cb 0.01 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2kcv h ALA 85 CO -0.03 0.18 -0.31 1.57 0.00 0.00 0.00 179.25 180.66 2kcv h LYS 86 N 0.48 0.93 -0.50 0.00 2.10 -1.41 -1.69 116.57 116.47 2kcv h LYS 86 Ca 0.12 -0.45 -0.09 0.00 -2.00 0.00 0.00 60.65 58.23 2kcv h LYS 86 Cb 0.31 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.62 2kcv h LYS 86 CO 0.00 1.11 -0.04 1.37 -2.00 0.00 0.00 179.45 179.89 2kcv h LEU 87 N 0.75 0.85 -0.25 7.07 8.10 -1.38 -0.93 115.31 129.52 2kcv h LEU 87 Ca 0.08 -0.23 -0.20 0.00 0.11 0.00 0.00 57.88 57.63 2kcv h LEU 87 Cb 0.90 -0.23 -0.01 0.00 -0.44 0.00 0.00 40.66 40.88 2kcv h LEU 87 CO 0.08 0.94 -0.89 0.07 -4.11 0.00 0.00 178.44 174.52 2kcv h LYS 88 N 0.80 0.23 -0.44 0.17 5.09 -1.53 -3.25 116.57 117.64 2kcv h LYS 88 Ca 0.14 -0.26 -0.05 0.00 0.09 0.00 0.00 60.65 60.57 2kcv h LYS 88 Cb 0.54 0.07 -0.02 0.00 0.10 0.00 0.00 32.23 32.92 2kcv h LYS 88 CO 0.03 0.98 0.05 0.00 -2.09 0.00 0.00 179.45 178.42 2kcv h ALA 89 N 0.92 1.26 -0.10 0.07 0.00 -0.87 -1.77 119.26 118.78 2kcv h ALA 89 Ca -0.05 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.67 2kcv h ALA 89 Cb 1.53 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 2kcv h ALA 89 CO 0.14 0.50 0.11 0.93 0.00 0.00 0.00 179.25 180.93 2kcv h GLU 90 N 0.66 0.00 0.00 0.00 5.08 -1.21 -1.09 114.58 118.01 2kcv h GLU 90 Ca 0.14 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.41 2kcv h GLU 90 Cb 0.34 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 2kcv h GLU 90 CO 0.01 0.00 -0.62 0.78 -1.00 0.00 0.00 179.01 178.17 2kcv h GLY 91 N 0.00 0.00 0.63 -3.84 0.00 -1.41 -2.62 103.07 95.83 2kcv h GLY 91 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.44 2kcv h GLY 91 CO -0.00 0.00 0.40 1.41 0.00 0.00 0.00 176.54 178.35 2kcv h LEU 92 N 0.00 0.59 -5.97 3.11 3.38 -0.96 -3.20 115.31 112.26 2kcv h LEU 92 Ca -0.03 0.04 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 2kcv h LEU 92 Cb 1.34 -0.08 -0.40 0.00 0.09 0.00 0.00 40.66 41.61 2kcv h LEU 92 CO 0.05 0.37 -1.03 -1.84 0.09 0.00 0.00 178.44 176.07 2kcv n GLU 93 N -4.77 1.24 -2.55 1.13 0.28 -1.24 -5.04 120.64 109.69 2kcv n GLU 93 Ca 0.10 -3.59 -0.42 0.00 -0.16 0.00 0.00 57.16 53.09 2kcv n GLU 93 Cb 0.20 -1.58 -0.01 0.00 1.43 0.00 0.00 31.44 31.48 2kcv n GLU 93 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 177.13 175.39 2kcv s HIS 94 N -1.92 2.71 -0.38 -1.84 2.46 -0.99 -4.94 115.29 110.39 2kcv s HIS 94 Ca 0.38 -1.44 -0.15 0.00 0.47 0.00 0.00 55.06 54.33 2kcv s HIS 94 Cb 0.23 -4.71 0.00 0.00 -0.13 0.00 0.00 32.58 27.98 2kcv s HIS 94 CO -0.09 -1.78 0.32 -1.58 -2.47 0.00 0.00 174.74 169.13 2kcv s HIS 95 N 4.72 3.22 0.39 3.88 5.04 -1.26 -5.05 115.29 126.23 2kcv s HIS 95 Ca 0.54 -0.36 -0.25 0.00 -1.54 0.00 0.00 55.06 53.45 2kcv s HIS 95 Cb 0.03 -2.62 -0.09 0.00 0.04 0.00 0.00 32.58 29.95 2kcv s HIS 95 CO 0.07 -0.52 1.11 -3.38 -2.34 0.00 0.00 174.74 169.69 2kcv s HIS 96 N 1.82 3.19 0.70 3.88 -3.43 -1.26 -5.05 115.29 115.14 2kcv s HIS 96 Ca 0.08 1.60 -0.11 0.00 -0.80 0.00 0.00 55.06 55.83 2kcv s HIS 96 Cb -0.18 -3.28 0.01 0.00 -1.43 0.00 0.00 32.58 27.71 2kcv s HIS 96 CO 0.11 -0.98 1.07 -1.01 -2.00 0.00 0.00 174.74 171.93 2kcv s HIS 97 N -1.49 2.99 0.28 0.38 3.76 -1.26 -4.97 115.29 114.98 2kcv s HIS 97 Ca 0.56 1.46 0.22 0.00 -0.15 0.00 0.00 55.06 57.15 2kcv s HIS 97 Cb -0.27 -2.93 0.99 0.00 1.11 0.00 0.00 32.58 31.48 2kcv s HIS 97 CO 0.34 -1.34 1.88 1.25 -0.85 0.00 0.00 174.74 176.02 2kcv h HIS 98 N -0.70 0.00 0.00 1.40 2.76 -2.08 -3.57 115.15 112.96 2kcv h HIS 98 Ca -0.44 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.73 2kcv h HIS 98 Cb 1.22 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.18 2kcv h HIS 98 CO 0.61 0.26 0.00 1.58 -1.30 0.00 0.00 177.93 179.08