#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 4.03 0.53 -1.84 1.01 -1.26 -5.02 116.67 114.12 2kcv s ASP 2 Ca 0.00 -1.05 0.36 0.00 0.71 0.00 0.00 52.55 52.57 2kcv s ASP 2 Cb 0.00 -0.47 1.86 0.00 1.01 0.00 0.00 42.92 45.32 2kcv s ASP 2 CO 0.00 -0.21 2.08 1.55 0.21 0.00 0.00 175.17 178.80 2kcv h PRO 3 N 1.89 0.00 0.00 8.23 0.13 -2.03 -2.88 132.00 137.33 2kcv h PRO 3 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2kcv h PRO 3 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2kcv h PRO 3 CO 0.68 0.00 -0.04 0.39 -0.23 0.00 0.00 178.00 178.80 2kcv n GLU 4 N -2.79 0.11 -1.99 0.86 -0.58 -1.26 -3.17 120.64 111.82 2kcv n GLU 4 Ca -0.02 0.08 -0.42 0.00 -0.42 0.00 0.00 57.16 56.39 2kcv n GLU 4 Cb 0.10 -1.62 -0.03 0.00 -0.57 0.00 0.00 31.44 29.32 2kcv n GLU 4 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2kcv s ASP 5 N -3.61 6.64 0.31 1.62 1.11 -1.09 -4.91 116.67 116.74 2kcv s ASP 5 Ca 0.12 2.60 0.06 0.00 0.18 0.00 0.00 52.55 55.52 2kcv s ASP 5 Cb 0.16 -2.61 0.74 0.00 1.07 0.00 0.00 42.92 42.28 2kcv s ASP 5 CO 0.57 -0.75 1.79 1.55 1.18 0.00 0.00 175.17 179.51 2kcv h PRO 6 N 6.05 0.75 -0.56 8.23 0.13 -1.92 -0.89 132.00 143.81 2kcv h PRO 6 Ca -0.44 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 2kcv h PRO 6 Cb 1.21 -0.17 -0.02 0.00 0.13 0.00 0.00 31.00 32.15 2kcv h PRO 6 CO 0.85 0.50 0.21 0.35 -0.23 0.00 0.00 178.00 179.68 2kcv h PHE 7 N 0.78 0.86 -0.07 1.56 3.57 -1.94 -2.28 116.94 119.42 2kcv h PHE 7 Ca 0.56 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.96 2kcv h PHE 7 Cb 0.85 -0.25 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 2kcv h PHE 7 CO -0.00 0.70 -0.05 1.15 -2.23 0.00 0.00 178.31 177.88 2kcv h THR 8 N 0.76 1.35 0.00 4.41 2.02 -1.47 -2.05 112.91 117.93 2kcv h THR 8 Ca 0.18 -1.13 -0.06 0.00 0.77 0.00 0.00 66.41 66.17 2kcv h THR 8 Cb 0.22 1.96 -0.01 0.00 -1.74 0.00 0.00 68.15 68.58 2kcv h THR 8 CO -0.01 0.31 -0.29 0.08 0.37 0.00 0.00 175.52 175.98 2kcv h ARG 9 N -0.25 0.00 0.10 6.66 0.11 -1.35 -0.12 114.38 119.53 2kcv h ARG 9 Ca 0.01 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.09 2kcv h ARG 9 Cb 0.53 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.60 2kcv h ARG 9 CO 0.01 0.29 -0.06 -0.92 0.10 0.00 0.00 179.97 179.39 2kcv h TYR 10 N 0.00 -0.17 -0.59 4.08 3.20 -1.37 0.31 116.97 122.44 2kcv h TYR 10 Ca -0.00 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2kcv h TYR 10 Cb 0.94 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 39.24 2kcv h TYR 10 CO 0.00 -0.10 0.21 0.00 -1.64 0.00 0.00 178.16 176.63 2kcv h ALA 11 N 0.74 1.25 -0.46 1.82 0.00 -1.00 -2.05 119.26 119.56 2kcv h ALA 11 Ca -0.01 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 2kcv h ALA 11 Cb 0.14 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2kcv h ALA 11 CO 0.00 0.54 -0.18 1.25 0.00 0.00 0.00 179.25 180.86 2kcv h LEU 12 N 0.86 0.91 -1.02 0.00 5.85 -0.99 -2.18 115.31 118.73 2kcv h LEU 12 Ca 0.20 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2kcv h LEU 12 Cb 0.21 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2kcv h LEU 12 CO -0.01 1.07 0.23 0.00 -0.34 0.00 0.00 178.44 179.39 2kcv h ALA 13 N 1.00 1.22 -0.52 1.25 0.00 -0.51 -0.71 119.26 120.99 2kcv h ALA 13 Ca 0.11 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2kcv h ALA 13 Cb 0.72 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2kcv h ALA 13 CO 0.06 0.56 0.13 1.96 0.00 0.00 0.00 179.25 181.95 2kcv h GLN 14 N 0.91 0.79 -0.46 0.00 4.20 -1.17 -1.49 115.11 117.89 2kcv h GLN 14 Ca 0.21 -0.15 -0.11 0.00 0.06 0.00 0.00 58.65 58.66 2kcv h GLN 14 Cb 0.21 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 2kcv h GLN 14 CO -0.02 0.71 -0.15 0.93 -0.67 0.00 0.00 178.83 179.63 2kcv h GLU 15 N 0.76 0.87 -0.79 1.46 4.39 -0.63 -2.19 114.58 118.44 2kcv h GLU 15 Ca 0.17 -0.33 -0.04 0.00 0.34 0.00 0.00 59.36 59.50 2kcv h GLU 15 Cb 0.28 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.84 2kcv h GLU 15 CO -0.00 0.96 0.33 0.45 -1.16 0.00 0.00 179.01 179.59 2kcv h HIS 16 N 0.77 1.19 -0.01 4.33 3.86 -0.88 -1.86 115.15 122.56 2kcv h HIS 16 Ca 0.12 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.26 2kcv h HIS 16 Cb 0.68 -0.36 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 2kcv h HIS 16 CO 0.04 0.89 -0.05 -0.07 0.86 0.00 0.00 177.93 179.60 2kcv h LEU 17 N 1.15 -0.15 -0.68 2.43 3.38 -0.97 0.24 115.31 120.72 2kcv h LEU 17 Ca 0.27 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.26 2kcv h LEU 17 Cb 0.19 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2kcv h LEU 17 CO -0.02 -0.08 0.00 0.07 0.09 0.00 0.00 178.44 178.50 2kcv h LYS 18 N -0.09 0.00 -0.58 1.13 2.10 -1.33 -1.45 116.57 116.35 2kcv h LYS 18 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 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 -0.06 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.11 2kcv n HIS 19 N -2.56 0.85 -0.87 0.07 8.25 -0.71 -4.96 115.22 115.30 2kcv n HIS 19 Ca 0.03 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.09 2kcv n HIS 19 Cb 0.32 -0.05 0.00 0.00 1.12 0.00 0.00 29.99 31.39 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 1.07 -1.82 -3.21 0.41 2.03 -0.55 -4.90 116.55 109.59 2kcv n ASP 20 Ca 0.19 0.00 -0.36 0.00 0.52 0.00 0.00 54.79 55.14 2kcv n ASP 20 Cb 0.53 -1.45 -0.03 0.00 -0.72 0.00 0.00 41.12 39.45 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 -0.19 8.00 -0.07 1.67 5.03 0.79 -4.69 115.26 125.80 2kcv n ASN 21 Ca 0.00 -2.86 -0.04 0.00 0.87 0.00 0.00 54.58 52.55 2kcv n ASN 21 Cb 0.10 -1.44 0.17 0.00 -1.02 0.00 0.00 39.78 37.59 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 4.50 1.10 -0.89 5.41 0.00 -1.86 -1.86 119.26 125.67 2kcv h ALA 22 Ca 0.71 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 2kcv h ALA 22 Cb 0.42 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2kcv h ALA 22 CO 1.46 0.56 0.49 0.77 0.00 0.00 0.00 179.25 182.53 2kcv h SER 23 N 0.64 1.11 0.55 0.00 0.02 -1.94 0.13 113.55 114.07 2kcv h SER 23 Ca 0.12 -0.09 -0.20 0.00 -0.84 0.00 0.00 61.79 60.77 2kcv h SER 23 Cb 0.51 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2kcv h SER 23 CO 0.03 0.89 -0.88 0.03 -1.14 0.00 0.00 176.83 175.75 2kcv h ARG 24 N 1.25 0.22 -0.48 3.45 2.47 -1.87 -2.51 114.38 116.91 2kcv h ARG 24 Ca 0.31 -0.24 -0.08 0.00 -1.26 0.00 0.00 59.98 58.72 2kcv h ARG 24 Cb 0.02 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.39 2kcv h ARG 24 CO -0.05 0.97 -0.02 0.00 0.56 0.00 0.00 179.97 181.43 2kcv h ALA 25 N 0.94 1.07 0.40 0.04 0.00 -1.18 -2.71 119.26 117.82 2kcv h ALA 25 Ca -0.05 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 2kcv h ALA 25 Cb 1.51 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 19.12 2kcv h ALA 25 CO 0.14 0.58 -0.19 1.25 0.00 0.00 0.00 179.25 181.03 2kcv h LEU 26 N 0.74 -0.46 -0.93 0.00 5.85 -0.56 -1.73 115.31 118.23 2kcv h LEU 26 Ca 0.14 0.00 0.10 0.00 0.84 0.00 0.00 57.88 58.96 2kcv h LEU 26 Cb 0.48 0.12 -0.08 0.00 0.37 0.00 0.00 40.66 41.55 2kcv h LEU 26 CO 0.02 -0.31 0.57 0.00 -0.34 0.00 0.00 178.44 178.38 2kcv h ALA 27 N 0.04 1.35 -0.19 1.25 0.00 -1.45 -0.66 119.26 119.61 2kcv h ALA 27 Ca -0.05 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2kcv h ALA 27 Cb 0.42 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2kcv h ALA 27 CO 0.09 0.22 0.06 -0.07 0.00 0.00 0.00 179.25 179.54 2kcv h LEU 28 N 0.95 0.28 -0.18 0.00 3.38 -1.26 -1.98 115.31 116.50 2kcv h LEU 28 Ca 0.44 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 2kcv h LEU 28 Cb 0.37 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2kcv h LEU 28 CO -0.24 0.41 0.01 -0.26 0.09 0.00 0.00 178.44 178.45 2kcv h PHE 29 N 0.13 0.33 -0.84 1.13 0.04 -0.81 -1.50 116.94 115.42 2kcv h PHE 29 Ca 0.06 -0.05 0.06 0.00 2.80 0.00 0.00 57.97 60.83 2kcv h PHE 29 Cb 0.23 -0.09 -0.05 0.00 2.20 0.00 0.00 35.95 38.24 2kcv h PHE 29 CO 0.00 0.49 0.55 0.93 -0.60 0.00 0.00 178.31 179.69 2kcv h GLU 30 N 0.07 0.94 -0.44 1.51 5.08 -1.19 -1.40 114.58 119.14 2kcv h GLU 30 Ca 0.05 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2kcv h GLU 30 Cb 0.35 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2kcv h GLU 30 CO 0.01 0.62 0.13 1.49 -1.00 0.00 0.00 179.01 180.26 2kcv h GLU 31 N 0.97 0.69 -0.94 2.33 4.81 -1.19 -2.88 114.58 118.36 2kcv h GLU 31 Ca 0.36 -0.15 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 2kcv h GLU 31 Cb 0.17 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 2kcv h GLU 31 CO -0.12 0.67 0.62 -0.07 -0.73 0.00 0.00 179.01 179.38 2kcv h LEU 32 N 0.57 1.07 0.68 1.64 3.38 -0.23 -1.32 115.31 121.10 2kcv h LEU 32 Ca 0.14 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 2kcv h LEU 32 Cb 0.28 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2kcv h LEU 32 CO -0.00 0.76 -0.37 0.58 0.09 0.00 0.00 178.44 179.50 2kcv h VAL 33 N 1.25 0.25 -0.34 1.22 2.07 -1.29 -0.66 116.25 118.76 2kcv h VAL 33 Ca 0.35 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.77 2kcv h VAL 33 Cb -0.11 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 29.90 2kcv h VAL 33 CO -0.09 0.00 -0.20 1.05 0.02 0.00 0.00 177.57 178.35 2kcv h GLU 34 N -0.97 0.64 0.20 1.57 4.11 -1.37 -3.05 114.58 115.71 2kcv h GLU 34 Ca -0.09 -0.23 -0.34 0.00 0.07 0.00 0.00 59.36 58.77 2kcv h GLU 34 Cb 0.76 -0.04 0.02 0.00 0.50 0.00 0.00 28.75 29.99 2kcv h GLU 34 CO 0.12 0.80 -1.63 1.79 0.07 0.00 0.00 179.01 180.16 2kcv h THR 35 N 0.57 1.09 -2.86 -1.06 1.35 -1.30 -3.43 112.91 107.26 2kcv h THR 35 Ca 0.09 -2.62 -0.58 0.00 -0.55 0.00 0.00 66.41 62.74 2kcv h THR 35 Cb 0.66 2.86 -0.40 0.00 -1.73 0.00 0.00 68.15 69.54 2kcv h THR 35 CO 0.05 0.84 -0.79 -0.62 -0.25 0.00 0.00 175.52 174.75 2kcv s ASP 36 N -7.36 3.50 0.35 5.36 -1.08 -0.25 -5.00 116.67 112.19 2kcv s ASP 36 Ca -0.13 -2.04 0.27 0.00 -0.52 0.00 0.00 52.55 50.13 2kcv s ASP 36 Cb 0.05 -0.68 1.17 0.00 -1.46 0.00 0.00 42.92 42.01 2kcv s ASP 36 CO 0.89 -0.34 1.80 1.55 0.52 0.00 0.00 175.17 179.58 2kcv h PRO 37 N 7.41 0.00 0.00 4.34 0.13 -1.71 -3.19 132.00 138.98 2kcv h PRO 37 Ca -0.05 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.93 2kcv h PRO 37 Cb 0.97 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.08 2kcv h PRO 37 CO 0.40 0.00 -0.75 -0.44 -0.23 0.00 0.00 178.00 176.98 2kcv h ASP 38 N 0.00 0.00 -0.96 1.44 5.19 -1.90 -3.43 116.42 116.76 2kcv h ASP 38 Ca 0.00 0.00 -0.31 0.00 -0.62 0.00 0.00 57.03 56.10 2kcv h ASP 38 Cb 0.32 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.79 2kcv h ASP 38 CO 0.00 0.75 0.81 -0.47 -3.12 0.00 0.00 179.24 177.21 2kcv s TYR 39 N -2.90 1.67 0.32 4.55 6.14 -1.20 -4.82 117.35 121.11 2kcv s TYR 39 Ca 0.02 0.86 0.04 0.00 0.64 0.00 0.00 57.07 58.63 2kcv s TYR 39 Cb 0.09 -3.96 0.56 0.00 0.42 0.00 0.00 41.96 39.07 2kcv s TYR 39 CO 0.78 -1.87 1.84 0.28 0.64 0.00 0.00 175.55 177.22 2kcv h VAL 40 N 7.25 1.21 -0.56 3.14 2.07 -1.90 -3.13 116.25 124.34 2kcv h VAL 40 Ca 0.00 -0.90 0.08 0.00 0.82 0.00 0.00 66.70 66.71 2kcv h VAL 40 Cb 1.05 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 2kcv h VAL 40 CO 1.19 0.30 0.37 1.23 0.02 0.00 0.00 177.57 180.68 2kcv h GLY 41 N 0.88 0.55 0.92 2.17 0.00 -1.99 -2.33 103.07 103.28 2kcv h GLY 41 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.26 2kcv h GLY 41 CO 0.02 0.11 -0.08 -0.84 0.00 0.00 0.00 176.54 175.75 2kcv h THR 42 N 0.41 0.83 -0.54 4.70 2.02 -1.94 -3.26 112.91 115.13 2kcv h THR 42 Ca 0.25 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.45 2kcv h THR 42 Cb 0.45 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.66 2kcv h THR 42 CO -0.07 0.00 0.33 1.88 0.37 0.00 0.00 175.52 178.03 2kcv h TYR 43 N -0.18 0.62 0.38 3.16 0.05 -1.58 0.12 116.97 119.53 2kcv h TYR 43 Ca -0.00 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.79 2kcv h TYR 43 Cb 0.17 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.68 2kcv h TYR 43 CO -0.10 0.36 -0.38 -0.92 -1.05 0.00 0.00 178.16 176.08 2kcv h TYR 44 N 0.66 -1.02 0.00 4.88 3.20 -1.66 -1.18 116.97 121.86 2kcv h TYR 44 Ca 0.21 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.99 2kcv h TYR 44 Cb -0.00 0.40 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2kcv h TYR 44 CO -0.06 -0.52 -0.48 0.45 -1.64 0.00 0.00 178.16 175.91 2kcv h HIS 45 N -0.77 0.00 0.00 -3.82 3.86 -1.48 -1.55 115.15 111.38 2kcv h HIS 45 Ca -0.03 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.92 2kcv h HIS 45 Cb 0.69 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.18 2kcv h HIS 45 CO -0.21 0.48 -1.03 1.25 0.86 0.00 0.00 177.93 179.28 2kcv h LEU 46 N 0.00 0.84 -0.54 2.43 5.85 -0.78 -2.66 115.31 120.44 2kcv h LEU 46 Ca -0.00 -0.67 -0.13 0.00 0.84 0.00 0.00 57.88 57.92 2kcv h LEU 46 Cb 0.92 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.68 2kcv h LEU 46 CO 0.06 1.47 -0.21 1.23 -0.34 0.00 0.00 178.44 180.66 2kcv h GLY 47 N 0.58 1.04 0.78 3.75 0.00 -0.96 -1.03 103.07 107.22 2kcv h GLY 47 Ca -0.12 -0.90 0.04 0.00 0.00 0.00 0.00 47.33 46.35 2kcv h GLY 47 CO 0.20 0.82 0.36 0.50 0.00 0.00 0.00 176.54 178.42 2kcv h LYS 48 N 0.83 0.66 -0.67 4.80 1.79 -1.34 -1.71 116.57 120.93 2kcv h LYS 48 Ca 0.11 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.48 2kcv h LYS 48 Cb 0.77 -0.15 -0.03 0.00 -1.58 0.00 0.00 32.23 31.24 2kcv h LYS 48 CO 0.06 0.44 0.19 1.25 -1.08 0.00 0.00 179.45 180.31 2kcv h LEU 49 N 0.68 1.00 -0.37 2.94 5.85 -1.22 -2.49 115.31 121.71 2kcv h LEU 49 Ca 0.26 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2kcv h LEU 49 Cb 0.10 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 2kcv h LEU 49 CO -0.14 0.96 0.14 1.88 -0.34 0.00 0.00 178.44 180.94 2kcv h TYR 50 N 0.99 0.26 -0.09 1.25 0.05 -0.82 -2.43 116.97 116.19 2kcv h TYR 50 Ca 0.21 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.98 2kcv h TYR 50 Cb 0.33 -0.06 -0.01 0.00 1.01 0.00 0.00 36.73 38.00 2kcv h TYR 50 CO 0.03 0.12 -0.08 0.93 -1.05 0.00 0.00 178.16 178.10 2kcv h GLU 51 N 0.31 0.12 -0.58 4.88 5.08 -1.03 0.20 114.58 123.55 2kcv h GLU 51 Ca 0.16 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.43 2kcv h GLU 51 Cb 0.12 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 2kcv h GLU 51 CO -0.15 0.22 0.09 0.00 -1.00 0.00 0.00 179.01 178.16 2kcv h ARG 52 N 0.12 0.97 -0.70 2.33 3.08 -1.13 -3.15 114.38 115.90 2kcv h ARG 52 Ca 0.03 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 59.81 2kcv h ARG 52 Cb 0.23 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.16 2kcv h ARG 52 CO 0.01 0.93 0.00 1.28 -1.07 0.00 0.00 179.97 181.12 2kcv n LEU 53 N -4.31 3.00 0.00 3.04 4.77 -0.48 -4.87 117.00 118.15 2kcv n LEU 53 Ca 0.03 -1.52 0.00 0.00 -0.03 0.00 0.00 56.01 54.49 2kcv n LEU 53 Cb 0.28 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 2kcv n LEU 53 CO 0.42 0.45 0.00 -0.67 -1.33 0.00 0.00 177.39 176.26 2kcv n ASP 54 N 0.36 -2.87 -2.60 -1.43 2.03 -0.98 -4.90 116.55 106.16 2kcv n ASP 54 Ca 0.13 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 55.17 2kcv n ASP 54 Cb 0.62 -1.92 -0.07 0.00 -0.72 0.00 0.00 41.12 39.03 2kcv n ASP 54 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kcv n ARG 55 N -1.21 2.75 -0.11 -0.67 5.12 0.58 -4.67 116.66 118.45 2kcv n ARG 55 Ca 0.00 -2.28 0.00 0.00 -1.93 0.00 0.00 57.85 53.64 2kcv n ARG 55 Cb 0.17 -2.23 0.28 0.00 -1.16 0.00 0.00 32.46 29.53 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 2.14 1.18 -0.46 0.55 2.02 -1.88 -1.72 112.91 114.75 2kcv h THR 56 Ca 0.43 -0.51 -0.07 0.00 0.77 0.00 0.00 66.41 67.03 2kcv h THR 56 Cb 0.78 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 67.64 2kcv h THR 56 CO 0.90 0.21 0.02 -0.78 0.37 0.00 0.00 175.52 176.24 2kcv h ASP 57 N 0.78 0.77 -0.60 4.18 3.58 -1.94 -2.06 116.42 121.12 2kcv h ASP 57 Ca 0.20 -0.30 -0.03 0.00 0.42 0.00 0.00 57.03 57.32 2kcv h ASP 57 Cb 0.08 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.89 2kcv h ASP 57 CO -0.03 0.88 0.29 0.44 -2.88 0.00 0.00 179.24 177.94 2kcv h ASP 58 N 0.64 0.82 -0.55 2.28 5.19 -1.80 -2.34 116.42 120.66 2kcv h ASP 58 Ca 0.13 -0.09 -0.01 0.00 -0.62 0.00 0.00 57.03 56.44 2kcv h ASP 58 Cb 0.47 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.74 2kcv h ASP 58 CO 0.02 0.71 0.31 0.00 -3.12 0.00 0.00 179.24 177.16 2kcv h ALA 59 N 1.41 0.71 -0.42 3.45 0.00 -1.05 -2.14 119.26 121.21 2kcv h ALA 59 Ca 0.22 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.11 2kcv h ALA 59 Cb 0.12 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 2kcv h ALA 59 CO -0.03 0.22 0.05 0.82 0.00 0.00 0.00 179.25 180.32 2kcv h ILE 60 N 0.74 0.74 -0.35 0.00 1.08 -0.82 0.75 117.51 119.64 2kcv h ILE 60 Ca 0.19 -0.06 -0.11 0.00 -0.39 0.00 0.00 64.86 64.49 2kcv h ILE 60 Cb 0.04 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 34.33 2kcv h ILE 60 CO -0.03 0.03 -0.22 -0.78 -0.69 0.00 0.00 178.15 176.46 2kcv h ASP 61 N 0.17 0.81 -0.41 1.72 3.58 -1.46 -1.41 116.42 119.42 2kcv h ASP 61 Ca 0.21 -0.43 -0.08 0.00 0.42 0.00 0.00 57.03 57.15 2kcv h ASP 61 Cb 0.28 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 2kcv h ASP 61 CO -0.30 1.06 -0.04 0.74 -2.88 0.00 0.00 179.24 177.81 2kcv h THR 62 N 0.56 1.25 -0.36 2.25 2.02 -1.03 0.40 112.91 118.00 2kcv h THR 62 Ca 0.07 -1.09 -0.12 0.00 0.77 0.00 0.00 66.41 66.04 2kcv h THR 62 Cb 0.78 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.11 2kcv h THR 62 CO 0.06 0.38 -0.23 1.88 0.37 0.00 0.00 175.52 177.99 2kcv h TYR 63 N 0.77 0.93 -0.69 3.16 0.05 -0.83 -1.47 116.97 118.88 2kcv h TYR 63 Ca 0.14 -0.25 -0.00 0.00 0.05 0.00 0.00 58.73 58.67 2kcv h TYR 63 Cb 0.52 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 38.02 2kcv h TYR 63 CO 0.03 1.00 0.42 0.00 -1.05 0.00 0.00 178.16 178.56 2kcv h ALA 64 N 0.78 0.88 -0.89 3.88 0.00 -0.97 0.61 119.26 123.55 2kcv h ALA 64 Ca 0.07 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2kcv h ALA 64 Cb 0.79 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.26 2kcv h ALA 64 CO 0.06 0.35 0.53 1.96 0.00 0.00 0.00 179.25 182.16 2kcv h GLN 65 N 0.94 1.22 -0.16 0.00 1.08 -0.87 -2.44 115.11 114.87 2kcv h GLN 65 Ca 0.25 -0.11 0.01 0.00 -1.45 0.00 0.00 58.65 57.35 2kcv h GLN 65 Cb -0.03 -0.25 -0.02 0.00 -0.05 0.00 0.00 27.48 27.13 2kcv h GLN 65 CO -0.05 0.86 0.06 0.78 -0.95 0.00 0.00 178.83 179.54 2kcv h GLY 66 N 1.23 0.20 0.45 3.46 0.00 -0.73 -3.15 103.07 104.54 2kcv h GLY 66 Ca 0.32 -0.04 0.09 0.00 0.00 0.00 0.00 47.33 47.69 2kcv h GLY 66 CO -0.06 0.03 0.26 -2.22 0.00 0.00 0.00 176.54 174.56 2kcv h ILE 67 N 0.15 0.81 -0.44 2.60 2.04 -0.41 0.60 117.51 122.86 2kcv h ILE 67 Ca 0.07 -0.16 -0.01 0.00 1.00 0.00 0.00 64.86 65.75 2kcv h ILE 67 Cb 0.03 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 36.39 2kcv h ILE 67 CO -0.06 0.09 0.22 -0.33 0.00 0.00 0.00 178.15 178.06 2kcv h GLU 68 N 0.47 0.63 0.00 2.37 5.08 -1.53 -2.59 114.58 119.00 2kcv h GLU 68 Ca 0.31 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 2kcv h GLU 68 Cb 0.35 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2kcv h GLU 68 CO -0.28 0.53 -0.38 -0.39 -1.00 0.00 0.00 179.01 177.49 2kcv h VAL 69 N 0.57 0.00 -0.11 3.13 -1.51 -1.39 -3.36 116.25 113.58 2kcv h VAL 69 Ca 0.15 -0.89 -0.13 0.00 -1.23 0.00 0.00 66.70 64.60 2kcv h VAL 69 Cb 0.10 1.68 0.01 0.00 -2.13 0.00 0.00 31.29 30.95 2kcv h VAL 69 CO -0.02 0.00 -0.46 0.00 -1.23 0.00 0.00 177.57 175.86 2kcv h ALA 70 N 2.11 0.20 -0.46 5.19 0.00 0.56 0.10 119.26 126.97 2kcv h ALA 70 Ca 0.00 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 2kcv h ALA 70 Cb 0.94 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2kcv h ALA 70 CO 0.00 0.35 0.10 0.07 0.00 0.00 0.00 179.25 179.77 2kcv h ARG 71 N 0.09 0.69 0.00 0.00 0.11 -1.66 -2.21 114.38 111.41 2kcv h ARG 71 Ca -0.03 -0.13 -0.11 0.00 0.10 0.00 0.00 59.98 59.81 2kcv h ARG 71 Cb 1.10 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 32.05 2kcv h ARG 71 CO 0.10 0.64 -0.83 0.93 0.10 0.00 0.00 179.97 180.91 2kcv h GLU 72 N 0.67 0.00 0.17 0.08 4.39 -1.69 -3.43 114.58 114.78 2kcv h GLU 72 Ca 0.15 0.00 -0.26 0.00 0.34 0.00 0.00 59.36 59.59 2kcv h GLU 72 Cb 0.27 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2kcv h GLU 72 CO -0.00 0.50 -1.19 0.93 -1.16 0.00 0.00 179.01 178.09 2kcv h GLU 73 N -1.00 0.37 0.00 2.33 4.39 -0.93 -3.47 114.58 116.27 2kcv h GLU 73 Ca -0.17 -0.62 0.00 0.00 0.34 0.00 0.00 59.36 58.91 2kcv h GLU 73 Cb 0.88 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 2kcv h GLU 73 CO -0.10 1.30 0.00 0.41 -1.16 0.00 0.00 179.01 179.46 2kcv n GLY 74 N 1.71 1.76 4.00 -3.84 0.00 -0.83 -5.04 105.19 102.94 2kcv n GLY 74 Ca -0.18 -2.06 -0.23 0.00 0.00 0.00 0.00 46.02 43.55 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 1.40 2.10 0.47 2.61 -4.23 -1.23 -4.60 115.64 112.16 2kcv s THR 75 Ca 0.00 -0.63 0.37 0.00 -1.18 0.00 0.00 61.69 60.25 2kcv s THR 75 Cb 0.00 -2.47 0.39 0.00 1.34 0.00 0.00 72.50 71.76 2kcv s THR 75 CO 0.00 0.00 2.20 -0.61 -0.54 0.00 0.00 174.62 175.67 2kcv h GLN 76 N -0.51 0.00 -0.07 3.99 4.15 -1.87 -2.55 115.11 118.26 2kcv h GLN 76 Ca -0.35 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.06 2kcv h GLN 76 Cb 1.27 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.95 2kcv h GLN 76 CO 0.39 0.03 0.03 -0.22 -1.93 0.00 0.00 178.83 177.13 2kcv h LYS 77 N 0.00 0.10 -0.32 1.69 3.64 -1.94 -0.12 116.57 119.63 2kcv h LYS 77 Ca -0.00 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 2kcv h LYS 77 Cb 0.20 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 2kcv h LYS 77 CO 0.00 0.22 0.06 -0.44 -2.27 0.00 0.00 179.45 177.02 2kcv h ASP 78 N -0.04 -0.00 -0.42 4.20 5.19 -1.76 -1.41 116.42 122.18 2kcv h ASP 78 Ca 0.02 0.05 0.07 0.00 -0.62 0.00 0.00 57.03 56.56 2kcv h ASP 78 Cb 0.16 0.07 -0.06 0.00 0.18 0.00 0.00 39.33 39.68 2kcv h ASP 78 CO -0.00 0.04 0.07 0.25 -3.12 0.00 0.00 179.24 176.47 2kcv h LEU 79 N 0.17 -0.03 -0.58 1.55 5.85 -1.45 -2.58 115.31 118.25 2kcv h LEU 79 Ca 0.15 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.89 2kcv h LEU 79 Cb 0.17 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2kcv h LEU 79 CO -0.20 0.02 0.12 -1.28 -0.34 0.00 0.00 178.44 176.75 2kcv h SER 80 N 0.19 0.91 -0.38 1.25 0.87 -0.43 -1.91 113.55 114.05 2kcv h SER 80 Ca 0.21 -0.25 -0.16 0.00 -1.23 0.00 0.00 61.79 60.36 2kcv h SER 80 Cb 0.26 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.98 2kcv h SER 80 CO -0.28 0.92 -0.39 -0.33 -0.53 0.00 0.00 176.83 176.22 2kcv h GLU 81 N 0.85 0.94 -0.08 2.24 5.08 -1.13 -0.86 114.58 121.62 2kcv h GLU 81 Ca 0.18 -0.50 -0.18 0.00 -1.00 0.00 0.00 59.36 57.86 2kcv h GLU 81 Cb 0.39 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2kcv h GLU 81 CO 0.01 1.16 -0.72 -0.07 -1.00 0.00 0.00 179.01 178.38 2kcv h LEU 82 N 0.76 0.45 -0.03 1.33 3.38 -1.39 -0.66 115.31 119.16 2kcv h LEU 82 Ca 0.06 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 57.73 2kcv h LEU 82 Cb 0.98 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 2kcv h LEU 82 CO 0.10 1.03 0.01 1.56 0.09 0.00 0.00 178.44 181.22 2kcv h GLN 83 N 0.26 0.04 -0.66 1.13 4.20 -1.33 -2.56 115.11 116.20 2kcv h GLN 83 Ca -0.03 -0.01 0.06 0.00 0.06 0.00 0.00 58.65 58.73 2kcv h GLN 83 Cb 1.29 -0.01 -0.05 0.00 0.30 0.00 0.00 27.48 29.01 2kcv h GLN 83 CO 0.12 0.23 0.37 0.22 -0.67 0.00 0.00 178.83 179.09 2kcv h ASP 84 N -0.16 0.55 -0.22 1.46 3.58 -1.08 -2.42 116.42 118.13 2kcv h ASP 84 Ca 0.01 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.42 2kcv h ASP 84 Cb 0.20 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 2kcv h ASP 84 CO -0.00 0.36 -0.10 0.00 -2.88 0.00 0.00 179.24 176.62 2kcv h ALA 85 N 1.34 0.31 -0.44 -0.78 0.00 -1.13 -2.71 119.26 115.86 2kcv h ALA 85 Ca 0.29 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2kcv h ALA 85 Cb 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2kcv h ALA 85 CO -0.17 0.15 -0.26 1.57 0.00 0.00 0.00 179.25 180.54 2kcv h LYS 86 N 0.18 0.95 -0.40 0.00 2.10 -1.37 -1.95 116.57 116.07 2kcv h LYS 86 Ca 0.05 -0.44 -0.10 0.00 -2.00 0.00 0.00 60.65 58.16 2kcv h LYS 86 Cb 0.59 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.89 2kcv h LYS 86 CO 0.03 1.10 -0.17 1.37 -2.00 0.00 0.00 179.45 179.78 2kcv h LEU 87 N 0.78 0.76 -0.34 7.07 8.10 -1.44 -0.40 115.31 129.85 2kcv h LEU 87 Ca 0.09 -0.25 -0.19 0.00 0.11 0.00 0.00 57.88 57.64 2kcv h LEU 87 Cb 0.85 -0.21 -0.01 0.00 -0.44 0.00 0.00 40.66 40.85 2kcv h LEU 87 CO 0.07 0.93 -0.83 0.07 -4.11 0.00 0.00 178.44 174.58 2kcv h LYS 88 N 0.68 0.24 -0.49 0.17 5.09 -1.52 -3.06 116.57 117.68 2kcv h LYS 88 Ca 0.10 -0.24 -0.08 0.00 0.09 0.00 0.00 60.65 60.53 2kcv h LYS 88 Cb 0.66 0.06 -0.02 0.00 0.10 0.00 0.00 32.23 33.03 2kcv h LYS 88 CO 0.05 0.94 -0.02 0.00 -2.09 0.00 0.00 179.45 178.32 2kcv h ALA 89 N 0.98 1.04 0.00 0.07 0.00 -1.01 -2.09 119.26 118.26 2kcv h ALA 89 Ca -0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2kcv h ALA 89 Cb 1.43 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 2kcv h ALA 89 CO 0.13 0.59 -0.14 0.93 0.00 0.00 0.00 179.25 180.76 2kcv h GLU 90 N 0.77 0.00 -0.00 0.00 5.08 -1.09 -2.19 114.58 117.15 2kcv h GLU 90 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2kcv h GLU 90 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2kcv h GLU 90 CO 0.03 0.14 -0.25 0.41 -1.00 0.00 0.00 179.01 178.33 2kcv n GLY 91 N -0.83 -0.92 0.34 -3.84 0.00 -0.83 -2.48 105.19 96.64 2kcv n GLY 91 Ca -0.02 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.54 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 0.65 -0.69 0.00 0.99 3.38 -0.93 -3.40 115.31 115.31 2kcv h LEU 92 Ca 0.00 0.02 -0.42 0.00 0.09 0.00 0.00 57.88 57.57 2kcv h LEU 92 Cb 0.46 0.18 -0.07 0.00 0.09 0.00 0.00 40.66 41.32 2kcv h LEU 92 CO 0.00 -0.29 -2.51 -1.84 0.09 0.00 0.00 178.44 173.89 2kcv n GLU 93 N -5.32 0.63 -3.62 1.13 -0.00 -1.26 -5.06 120.64 107.14 2kcv n GLU 93 Ca -0.10 0.19 -0.19 0.00 -0.00 0.00 0.00 57.16 57.05 2kcv n GLU 93 Cb 0.32 -1.51 0.00 0.00 -0.00 0.00 0.00 31.44 30.25 2kcv n GLU 93 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2kcv n HIS 94 N -3.60 -2.26 -1.59 -1.84 -0.00 -1.04 -4.82 115.22 100.08 2kcv n HIS 94 Ca -0.49 0.89 -0.43 0.00 0.46 0.00 0.00 57.72 58.15 2kcv n HIS 94 Cb 0.96 -3.11 -0.03 0.00 -0.12 0.00 0.00 29.99 27.68 2kcv n HIS 94 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2kcv n HIS 95 N -2.50 1.93 -1.61 1.57 1.44 -1.26 -4.89 115.22 109.91 2kcv n HIS 95 Ca -0.24 -0.11 -0.43 0.00 -2.01 0.00 0.00 57.72 54.93 2kcv n HIS 95 Cb 0.64 -2.72 -0.03 0.00 0.12 0.00 0.00 29.99 28.00 2kcv n HIS 95 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2kcv n HIS 96 N 11.78 2.06 1.98 -1.40 8.25 -1.26 -4.86 115.22 131.77 2kcv n HIS 96 Ca 0.31 -0.15 0.08 0.00 -0.26 0.00 0.00 57.72 57.69 2kcv n HIS 96 Cb 0.44 -2.73 0.46 0.00 1.12 0.00 0.00 29.99 29.28 2kcv n HIS 96 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2kcv n HIS 97 N 10.71 0.00 -3.93 4.41 1.44 -1.26 -4.56 115.22 122.03 2kcv n HIS 97 Ca 0.28 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.66 2kcv n HIS 97 Cb 0.43 0.00 -0.14 0.00 0.12 0.00 0.00 29.99 30.40 2kcv n HIS 97 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kcv s HIS 98 N -2.00 3.44 0.00 -1.40 5.65 -1.26 -5.36 115.29 114.35 2kcv s HIS 98 Ca 0.23 -2.29 0.00 0.00 0.25 0.00 0.00 55.06 53.25 2kcv s HIS 98 Cb 0.11 -2.49 0.00 0.00 -1.18 0.00 0.00 32.58 29.01 2kcv s HIS 98 CO 0.18 -0.88 0.00 0.72 -0.65 0.00 0.00 174.74 174.11