#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 5.39 0.00 1.62 1.11 -1.26 -4.94 116.67 118.59 2kcv s ASP 2 Ca 0.00 1.58 0.00 0.00 0.18 0.00 0.00 52.55 54.31 2kcv s ASP 2 Cb 0.00 -2.46 0.00 0.00 1.07 0.00 0.00 42.92 41.53 2kcv s ASP 2 CO 0.00 -1.43 0.78 -2.65 1.18 0.00 0.00 175.17 173.05 2kcv n PRO 3 N -3.12 0.00 -0.32 8.23 -0.02 -1.26 -1.68 135.00 136.83 2kcv n PRO 3 Ca 0.07 0.29 0.03 0.00 -2.02 0.00 0.00 63.50 61.88 2kcv n PRO 3 Cb 0.54 -1.52 0.18 0.00 -0.02 0.00 0.00 33.50 32.68 2kcv n PRO 3 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2kcv h GLU 4 N 0.00 0.90 -6.61 -0.52 4.39 -1.97 -3.33 114.58 107.44 2kcv h GLU 4 Ca 0.00 -0.05 -0.53 0.00 0.34 0.00 0.00 59.36 59.12 2kcv h GLU 4 Cb 0.04 -0.20 0.03 0.00 -0.10 0.00 0.00 28.75 28.52 2kcv h GLU 4 CO 0.00 0.59 0.71 -0.51 -1.16 0.00 0.00 179.01 178.64 2kcv s ASP 5 N -5.70 6.83 0.18 1.42 1.01 -0.68 -4.95 116.67 114.78 2kcv s ASP 5 Ca -0.12 2.38 -0.25 0.00 0.71 0.00 0.00 52.55 55.27 2kcv s ASP 5 Cb 0.20 -2.60 0.05 0.00 1.01 0.00 0.00 42.92 41.58 2kcv s ASP 5 CO 0.79 -0.62 1.56 -0.65 0.21 0.00 0.00 175.17 176.46 2kcv h PRO 6 N 6.21 -0.12 -0.64 8.23 0.11 -1.90 -1.72 132.00 142.16 2kcv h PRO 6 Ca -0.43 0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 2kcv h PRO 6 Cb 1.21 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 2kcv h PRO 6 CO 0.83 -0.08 0.25 0.35 -0.21 0.00 0.00 178.00 179.13 2kcv h PHE 7 N -0.13 0.96 0.24 0.65 3.57 -1.94 -2.36 116.94 117.92 2kcv h PHE 7 Ca 0.21 -0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2kcv h PHE 7 Cb 0.54 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.99 2kcv h PHE 7 CO -0.83 0.74 -0.11 1.15 -2.23 0.00 0.00 178.31 177.03 2kcv h THR 8 N 0.93 0.79 0.00 4.41 2.02 -1.61 -0.71 112.91 118.74 2kcv h THR 8 Ca 0.22 -0.14 -0.09 0.00 0.77 0.00 0.00 66.41 67.17 2kcv h THR 8 Cb 0.20 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 2kcv h THR 8 CO -0.02 0.03 -0.44 0.08 0.37 0.00 0.00 175.52 175.54 2kcv h ARG 9 N -0.39 0.00 0.29 6.66 -0.00 -1.53 -1.13 114.38 118.29 2kcv h ARG 9 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.93 2kcv h ARG 9 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.27 2kcv h ARG 9 CO 0.05 0.44 -0.14 -0.92 -0.00 0.00 0.00 179.97 179.41 2kcv h TYR 10 N 0.00 -0.37 -0.27 4.08 3.20 -1.20 -0.06 116.97 122.35 2kcv h TYR 10 Ca -0.00 -0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.71 2kcv h TYR 10 Cb 0.87 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.26 2kcv h TYR 10 CO 0.00 -0.11 -0.43 0.00 -1.64 0.00 0.00 178.16 175.98 2kcv h ALA 11 N 0.07 0.75 -0.30 1.82 0.00 -1.11 -2.40 119.26 118.08 2kcv h ALA 11 Ca -0.04 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 2kcv h ALA 11 Cb 0.42 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2kcv h ALA 11 CO 0.07 0.66 -0.12 1.25 0.00 0.00 0.00 179.25 181.11 2kcv h LEU 12 N 0.53 0.50 -0.35 0.00 5.85 -1.21 -0.91 115.31 119.72 2kcv h LEU 12 Ca 0.04 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 2kcv h LEU 12 Cb 0.96 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 2kcv h LEU 12 CO 0.09 0.65 0.06 0.00 -0.34 0.00 0.00 178.44 178.90 2kcv h ALA 13 N 1.40 0.47 0.00 1.25 0.00 -0.79 -1.02 119.26 120.57 2kcv h ALA 13 Ca 0.09 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2kcv h ALA 13 Cb 0.49 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2kcv h ALA 13 CO 0.03 0.17 -0.27 1.96 0.00 0.00 0.00 179.25 181.14 2kcv h GLN 14 N 0.42 0.00 -0.37 0.00 4.20 -1.09 -1.79 115.11 116.48 2kcv h GLN 14 Ca 0.11 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.70 2kcv h GLN 14 Cb 0.36 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 2kcv h GLN 14 CO 0.01 0.27 -0.24 0.93 -0.67 0.00 0.00 178.83 179.12 2kcv h GLU 15 N 0.00 0.82 -0.51 1.46 5.08 -0.92 -2.85 114.58 117.65 2kcv h GLU 15 Ca -0.00 -0.38 0.02 0.00 -1.00 0.00 0.00 59.36 58.00 2kcv h GLU 15 Cb 0.51 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 2kcv h GLU 15 CO 0.03 1.02 0.34 0.45 -1.00 0.00 0.00 179.01 179.85 2kcv h HIS 16 N 0.61 0.58 -0.26 4.33 3.86 -0.50 -0.98 115.15 122.80 2kcv h HIS 16 Ca 0.07 0.01 -0.08 0.00 -1.16 0.00 0.00 60.37 59.22 2kcv h HIS 16 Cb 0.81 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.07 2kcv h HIS 16 CO 0.06 0.35 -0.17 -0.07 0.86 0.00 0.00 177.93 178.95 2kcv h LEU 17 N 0.61 0.44 -0.65 2.43 3.38 -1.24 0.40 115.31 120.69 2kcv h LEU 17 Ca 0.20 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.90 2kcv h LEU 17 Cb 0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2kcv h LEU 17 CO -0.05 0.64 -0.60 0.11 0.09 0.00 0.00 178.44 178.63 2kcv h LYS 18 N 0.41 0.26 -0.36 1.13 1.57 -1.06 -2.97 116.57 115.57 2kcv h LYS 18 Ca 0.07 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2kcv h LYS 18 Cb 0.55 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2kcv h LYS 18 CO 0.04 0.78 0.00 0.72 -0.57 0.00 0.00 179.45 180.42 2kcv n HIS 19 N -3.88 0.47 -0.96 -1.35 8.25 -0.47 -4.95 115.22 112.32 2kcv n HIS 19 Ca -0.02 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.20 2kcv n HIS 19 Cb 0.61 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.72 2kcv n HIS 19 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2kcv n ASP 20 N 0.79 -3.80 -3.17 0.41 8.00 0.03 -4.91 116.55 113.90 2kcv n ASP 20 Ca 0.16 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.31 2kcv n ASP 20 Cb 0.41 -1.90 -0.04 0.00 -0.02 0.00 0.00 41.12 39.57 2kcv n ASP 20 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2kcv n ASN 21 N -0.43 8.02 0.16 -2.24 4.13 0.12 -4.70 115.26 120.33 2kcv n ASN 21 Ca 0.00 -2.79 0.06 0.00 1.68 0.00 0.00 54.58 53.53 2kcv n ASN 21 Cb 0.21 -1.46 0.53 0.00 -1.54 0.00 0.00 39.78 37.52 2kcv n ASN 21 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kcv h ALA 22 N 4.52 1.82 -0.18 5.41 0.00 -1.91 -1.66 119.26 127.26 2kcv h ALA 22 Ca 0.72 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.62 2kcv h ALA 22 Cb 0.45 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2kcv h ALA 22 CO 1.46 0.15 -0.09 0.66 0.00 0.00 0.00 179.25 181.44 2kcv h SER 23 N 0.19 -0.29 0.26 0.00 4.64 -1.94 0.57 113.55 116.98 2kcv h SER 23 Ca 0.05 0.07 -0.12 0.00 -0.47 0.00 0.00 61.79 61.32 2kcv h SER 23 Cb 0.07 0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2kcv h SER 23 CO -0.00 -0.12 -0.48 0.03 -0.87 0.00 0.00 176.83 175.39 2kcv h ARG 24 N -0.07 0.25 -0.52 4.77 2.47 -1.74 -2.05 114.38 117.50 2kcv h ARG 24 Ca 0.10 -0.14 -0.08 0.00 -1.26 0.00 0.00 59.98 58.60 2kcv h ARG 24 Cb 0.22 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 2kcv h ARG 24 CO -0.23 0.68 0.02 0.00 0.56 0.00 0.00 179.97 181.01 2kcv h ALA 25 N 1.30 0.69 -0.46 0.04 0.00 -1.18 -2.51 119.26 117.14 2kcv h ALA 25 Ca 0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2kcv h ALA 25 Cb 0.92 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 2kcv h ALA 25 CO 0.07 0.48 0.12 1.25 0.00 0.00 0.00 179.25 181.18 2kcv h LEU 26 N 0.77 0.69 -0.44 0.00 5.85 -0.64 -1.21 115.31 120.32 2kcv h LEU 26 Ca 0.15 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.67 2kcv h LEU 26 Cb 0.49 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 2kcv h LEU 26 CO 0.02 0.73 0.25 0.00 -0.34 0.00 0.00 178.44 179.10 2kcv h ALA 27 N 0.98 0.55 -0.13 1.25 0.00 -1.38 -1.01 119.26 119.52 2kcv h ALA 27 Ca 0.15 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.93 2kcv h ALA 27 Cb 0.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2kcv h ALA 27 CO -0.00 -0.08 -0.46 -0.07 0.00 0.00 0.00 179.25 178.63 2kcv h LEU 28 N 0.50 0.36 -0.29 0.00 3.38 -1.10 0.13 115.31 118.28 2kcv h LEU 28 Ca 0.18 -0.17 -0.20 0.00 0.09 0.00 0.00 57.88 57.78 2kcv h LEU 28 Cb 0.03 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2kcv h LEU 28 CO -0.09 0.77 -0.73 -0.26 0.09 0.00 0.00 178.44 178.22 2kcv h PHE 29 N 0.27 0.84 -0.02 1.13 0.04 -1.12 -1.15 116.94 116.93 2kcv h PHE 29 Ca 0.02 -0.36 -0.11 0.00 2.80 0.00 0.00 57.97 60.31 2kcv h PHE 29 Cb 0.92 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.93 2kcv h PHE 29 CO 0.02 1.16 -0.52 0.93 -0.60 0.00 0.00 178.31 179.30 2kcv h GLU 30 N 0.44 0.06 -0.20 1.51 5.08 -1.07 -2.46 114.58 117.93 2kcv h GLU 30 Ca -0.04 -0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.17 2kcv h GLU 30 Cb 1.33 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.57 2kcv h GLU 30 CO 0.14 0.56 -0.41 1.49 -1.00 0.00 0.00 179.01 179.79 2kcv h GLU 31 N 0.04 0.46 -0.40 2.33 4.81 -0.63 -2.43 114.58 118.76 2kcv h GLU 31 Ca -0.00 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 58.99 2kcv h GLU 31 Cb 0.94 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.30 2kcv h GLU 31 CO 0.07 0.80 0.22 -0.07 -0.73 0.00 0.00 179.01 179.30 2kcv h LEU 32 N 0.38 0.51 0.37 1.64 3.38 -1.07 -2.64 115.31 117.88 2kcv h LEU 32 Ca 0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2kcv h LEU 32 Cb 0.89 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.51 2kcv h LEU 32 CO 0.07 0.46 -0.18 0.58 0.09 0.00 0.00 178.44 179.47 2kcv h VAL 33 N 0.52 0.65 -0.61 1.22 2.07 -1.14 0.17 116.25 119.13 2kcv h VAL 33 Ca 0.14 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.55 2kcv h VAL 33 Cb 0.06 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 2kcv h VAL 33 CO -0.02 0.01 0.12 1.05 0.02 0.00 0.00 177.57 178.75 2kcv h GLU 34 N -0.52 0.98 0.00 1.57 4.11 -1.50 -2.60 114.58 116.62 2kcv h GLU 34 Ca -0.05 -0.23 -0.31 0.00 0.07 0.00 0.00 59.36 58.84 2kcv h GLU 34 Cb 0.39 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.46 2kcv h GLU 34 CO 0.08 0.89 -1.87 0.25 0.07 0.00 0.00 179.01 178.43 2kcv n THR 35 N -4.24 1.56 -3.44 -1.06 -2.24 -0.99 -4.72 114.28 99.15 2kcv n THR 35 Ca 0.04 -0.81 -0.26 0.00 -2.27 0.00 0.00 64.05 60.75 2kcv n THR 35 Cb 0.26 -0.92 -0.09 0.00 -2.10 0.00 0.00 70.33 67.48 2kcv n THR 35 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2kcv n ASP 36 N -2.99 0.99 0.10 3.42 8.00 0.60 -4.94 116.55 121.73 2kcv n ASP 36 Ca -0.21 -2.78 0.10 0.00 0.71 0.00 0.00 54.79 52.61 2kcv n ASP 36 Cb 1.08 -0.63 0.44 0.00 -0.02 0.00 0.00 41.12 41.98 2kcv n ASP 36 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2kcv n PRO 37 N 1.98 0.14 0.08 -0.24 -0.02 -0.98 -2.73 135.00 133.23 2kcv n PRO 37 Ca 0.26 0.39 -0.13 0.00 -2.02 0.00 0.00 63.50 62.00 2kcv n PRO 37 Cb 0.46 -1.77 -0.06 0.00 -0.02 0.00 0.00 33.50 32.10 2kcv n PRO 37 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2kcv h ASP 38 N 0.00 0.43 -2.41 2.55 3.58 -1.90 -3.45 116.42 115.23 2kcv h ASP 38 Ca 0.00 -0.38 -0.56 0.00 0.42 0.00 0.00 57.03 56.52 2kcv h ASP 38 Cb 0.31 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.21 2kcv h ASP 38 CO 0.00 1.20 1.33 -0.47 -2.88 0.00 0.00 179.24 178.43 2kcv s TYR 39 N -3.09 1.67 0.13 0.28 5.04 -1.10 -4.87 117.35 115.41 2kcv s TYR 39 Ca -0.05 0.71 -0.08 0.00 -2.44 0.00 0.00 57.07 55.22 2kcv s TYR 39 Cb 0.09 -4.06 -0.07 0.00 0.35 0.00 0.00 41.96 38.26 2kcv s TYR 39 CO 0.86 -2.92 1.35 0.28 -1.34 0.00 0.00 175.55 173.79 2kcv h VAL 40 N 6.91 1.32 0.00 3.14 2.07 -1.89 -3.22 116.25 124.59 2kcv h VAL 40 Ca -0.32 -2.09 -0.02 0.00 0.82 0.00 0.00 66.70 65.09 2kcv h VAL 40 Cb 1.18 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 33.03 2kcv h VAL 40 CO 1.07 0.64 -0.10 1.23 0.02 0.00 0.00 177.57 180.43 2kcv h GLY 41 N 0.88 0.00 0.33 2.17 0.00 -1.98 -1.63 103.07 102.84 2kcv h GLY 41 Ca -0.05 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.30 2kcv h GLY 41 CO 0.15 0.00 -0.40 -0.84 0.00 0.00 0.00 176.54 175.45 2kcv h THR 42 N 0.00 0.18 -0.77 4.70 2.02 -1.94 -2.81 112.91 114.30 2kcv h THR 42 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2kcv h THR 42 Cb 0.26 0.18 -0.04 0.00 -1.74 0.00 0.00 68.15 66.82 2kcv h THR 42 CO 0.01 0.00 0.44 1.88 0.37 0.00 0.00 175.52 178.22 2kcv h TYR 43 N -0.65 1.04 0.15 3.16 0.05 -1.44 -0.42 116.97 118.85 2kcv h TYR 43 Ca 0.02 -0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.78 2kcv h TYR 43 Cb 0.67 -0.33 -0.00 0.00 1.01 0.00 0.00 36.73 38.07 2kcv h TYR 43 CO -0.34 0.71 -0.12 -0.92 -1.05 0.00 0.00 178.16 176.44 2kcv h TYR 44 N 1.06 -0.32 -0.23 4.88 3.20 -1.58 -2.38 116.97 121.60 2kcv h TYR 44 Ca 0.27 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.10 2kcv h TYR 44 Cb 0.01 0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.38 2kcv h TYR 44 CO -0.00 -0.17 -0.06 0.45 -1.64 0.00 0.00 178.16 176.74 2kcv h HIS 45 N -0.26 0.36 -0.26 -3.82 3.86 -1.32 -0.34 115.15 113.37 2kcv h HIS 45 Ca -0.02 -0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.12 2kcv h HIS 45 Cb 0.22 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 28.57 2kcv h HIS 45 CO -0.03 0.41 0.03 1.25 0.86 0.00 0.00 177.93 180.46 2kcv h LEU 46 N 0.34 0.43 -0.61 2.43 5.85 -1.18 -2.75 115.31 119.82 2kcv h LEU 46 Ca 0.07 -0.28 -0.14 0.00 0.84 0.00 0.00 57.88 58.37 2kcv h LEU 46 Cb 0.32 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2kcv h LEU 46 CO 0.01 0.60 -0.47 1.23 -0.34 0.00 0.00 178.44 179.47 2kcv h GLY 47 N 0.25 0.59 1.32 3.75 0.00 -0.71 -1.76 103.07 106.51 2kcv h GLY 47 Ca 0.08 -0.64 -0.03 0.00 0.00 0.00 0.00 47.33 46.74 2kcv h GLY 47 CO 0.01 0.57 0.24 0.50 0.00 0.00 0.00 176.54 177.86 2kcv h LYS 48 N 0.43 0.88 -0.23 4.80 1.79 -1.12 -1.18 116.57 121.94 2kcv h LYS 48 Ca 0.02 -0.14 -0.15 0.00 -2.18 0.00 0.00 60.65 58.21 2kcv h LYS 48 Cb 0.99 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 31.48 2kcv h LYS 48 CO 0.09 0.72 -0.47 1.25 -1.08 0.00 0.00 179.45 179.96 2kcv h LEU 49 N 0.86 0.66 -0.59 2.94 5.85 -1.26 -3.01 115.31 120.77 2kcv h LEU 49 Ca 0.20 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2kcv h LEU 49 Cb 0.17 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 2kcv h LEU 49 CO -0.02 1.03 0.33 1.88 -0.34 0.00 0.00 178.44 181.32 2kcv h TYR 50 N 0.49 0.80 -0.71 1.25 0.05 -0.63 -1.16 116.97 117.05 2kcv h TYR 50 Ca 0.03 -0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.86 2kcv h TYR 50 Cb 1.00 -0.26 -0.04 0.00 1.01 0.00 0.00 36.73 38.44 2kcv h TYR 50 CO 0.04 0.57 0.47 0.93 -1.05 0.00 0.00 178.16 179.12 2kcv h GLU 51 N 0.79 0.73 -0.01 4.88 5.08 -1.17 0.18 114.58 125.07 2kcv h GLU 51 Ca 0.21 -0.04 -0.20 0.00 -1.00 0.00 0.00 59.36 58.33 2kcv h GLU 51 Cb 0.02 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 2kcv h GLU 51 CO -0.04 0.48 -0.85 0.00 -1.00 0.00 0.00 179.01 177.60 2kcv h ARG 52 N 0.75 0.24 -0.26 2.33 3.08 -1.33 -3.06 114.38 116.12 2kcv h ARG 52 Ca 0.31 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2kcv h ARG 52 Cb 0.24 0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.36 2kcv h ARG 52 CO -0.10 0.96 0.00 1.28 -1.07 0.00 0.00 179.97 181.04 2kcv n LEU 53 N -3.70 1.21 -0.81 3.04 4.77 -0.47 -4.89 117.00 116.16 2kcv n LEU 53 Ca -0.04 -0.61 -0.11 0.00 -0.03 0.00 0.00 56.01 55.23 2kcv n LEU 53 Cb 0.79 -0.17 -0.05 0.00 -2.33 0.00 0.00 43.42 41.66 2kcv n LEU 53 CO 0.48 0.28 -0.10 -0.67 -1.33 0.00 0.00 177.39 176.05 2kcv n ASP 54 N 0.11 -5.43 -3.25 -1.43 2.03 -0.85 -4.89 116.55 102.84 2kcv n ASP 54 Ca 0.07 0.26 -0.37 0.00 0.52 0.00 0.00 54.79 55.27 2kcv n ASP 54 Cb 0.20 -3.86 -0.02 0.00 -0.72 0.00 0.00 41.12 36.73 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 -1.15 4.11 -0.19 -0.67 5.12 0.57 -4.72 116.66 119.73 2kcv n ARG 55 Ca -0.11 -3.22 -0.04 0.00 -1.93 0.00 0.00 57.85 52.56 2kcv n ARG 55 Cb 0.54 -2.52 0.14 0.00 -1.16 0.00 0.00 32.46 29.47 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 2.45 1.24 -0.71 0.55 2.02 -1.88 -1.41 112.91 115.17 2kcv h THR 56 Ca 0.63 -0.82 0.01 0.00 0.77 0.00 0.00 66.41 67.00 2kcv h THR 56 Cb 0.40 0.54 -0.04 0.00 -1.74 0.00 0.00 68.15 67.31 2kcv h THR 56 CO 1.33 0.32 0.46 -0.78 0.37 0.00 0.00 175.52 177.22 2kcv h ASP 57 N 0.94 0.79 -0.41 4.18 1.82 -1.95 -1.55 116.42 120.23 2kcv h ASP 57 Ca 0.21 -0.02 -0.13 0.00 -0.39 0.00 0.00 57.03 56.71 2kcv h ASP 57 Cb 0.27 -0.19 -0.01 0.00 0.68 0.00 0.00 39.33 40.07 2kcv h ASP 57 CO -0.01 0.57 -0.21 0.44 -1.61 0.00 0.00 179.24 178.41 2kcv h ASP 58 N 0.93 0.94 0.19 2.28 5.19 -1.88 -2.96 116.42 121.12 2kcv h ASP 58 Ca 0.27 -0.35 -0.00 0.00 -0.62 0.00 0.00 57.03 56.32 2kcv h ASP 58 Cb -0.08 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.17 2kcv h ASP 58 CO -0.07 1.11 -0.14 0.00 -3.12 0.00 0.00 179.24 177.03 2kcv h ALA 59 N 0.95 -0.31 -0.92 3.45 0.00 -0.57 -1.55 119.26 120.31 2kcv h ALA 59 Ca 0.11 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2kcv h ALA 59 Cb 0.77 0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 2kcv h ALA 59 CO 0.06 -0.69 0.59 0.82 0.00 0.00 0.00 179.25 180.04 2kcv h ILE 60 N -0.33 1.12 0.01 0.00 1.08 -1.30 -1.12 117.51 116.97 2kcv h ILE 60 Ca -0.01 -0.39 -0.00 0.00 -0.39 0.00 0.00 64.86 64.07 2kcv h ILE 60 Cb 0.29 -0.10 0.00 0.00 -3.07 0.00 0.00 36.82 33.93 2kcv h ILE 60 CO 0.00 0.21 -0.01 -0.78 -0.69 0.00 0.00 178.15 176.88 2kcv h ASP 61 N 1.13 -0.01 -0.70 1.72 1.82 -1.43 -1.29 116.42 117.66 2kcv h ASP 61 Ca 0.38 -0.10 0.01 0.00 -0.39 0.00 0.00 57.03 56.93 2kcv h ASP 61 Cb 0.06 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.03 2kcv h ASP 61 CO -0.14 0.09 0.45 0.74 -1.61 0.00 0.00 179.24 178.78 2kcv h THR 62 N -0.12 1.15 -0.50 2.25 2.02 -0.59 -2.59 112.91 114.53 2kcv h THR 62 Ca -0.00 -0.31 -0.12 0.00 0.77 0.00 0.00 66.41 66.74 2kcv h THR 62 Cb 0.11 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 66.67 2kcv h THR 62 CO 0.00 0.17 -0.16 1.88 0.37 0.00 0.00 175.52 177.78 2kcv h TYR 63 N 0.92 1.13 -0.34 3.16 0.05 -1.19 -1.56 116.97 119.14 2kcv h TYR 63 Ca 0.26 -0.26 0.06 0.00 0.05 0.00 0.00 58.73 58.85 2kcv h TYR 63 Cb -0.07 -0.27 -0.06 0.00 1.01 0.00 0.00 36.73 37.34 2kcv h TYR 63 CO -0.03 1.08 -0.01 0.00 -1.05 0.00 0.00 178.16 178.15 2kcv h ALA 64 N 0.89 0.30 -0.56 3.88 0.00 -0.88 0.88 119.26 123.76 2kcv h ALA 64 Ca 0.12 0.10 -0.10 0.00 0.00 0.00 0.00 54.91 55.03 2kcv h ALA 64 Cb 0.74 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2kcv h ALA 64 CO 0.06 -0.41 -0.05 0.37 0.00 0.00 0.00 179.25 179.21 2kcv h GLN 65 N 0.08 1.02 -0.98 0.00 -0.00 -1.46 -3.09 115.11 110.68 2kcv h GLN 65 Ca 0.17 -0.34 0.02 0.00 -0.00 0.00 0.00 58.65 58.50 2kcv h GLN 65 Cb 0.23 -0.08 -0.05 0.00 0.00 0.00 0.00 27.48 27.58 2kcv h GLN 65 CO -0.29 1.03 0.64 0.78 0.00 0.00 0.00 178.83 180.99 2kcv h GLY 66 N 0.97 1.40 1.01 2.39 0.00 -0.57 -2.77 103.07 105.50 2kcv h GLY 66 Ca 0.15 -0.50 0.01 0.00 0.00 0.00 0.00 47.33 46.99 2kcv h GLY 66 CO 0.04 0.46 0.56 -2.22 0.00 0.00 0.00 176.54 175.38 2kcv h ILE 67 N 1.28 1.22 -0.34 2.60 2.04 -0.77 0.18 117.51 123.73 2kcv h ILE 67 Ca 0.37 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2kcv h ILE 67 Cb -0.07 -0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 35.96 2kcv h ILE 67 CO -0.10 0.21 0.22 -0.33 0.00 0.00 0.00 178.15 178.16 2kcv h GLU 68 N 1.15 0.44 0.00 2.37 5.08 -1.52 -2.66 114.58 119.44 2kcv h GLU 68 Ca 0.31 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2kcv h GLU 68 Cb -0.13 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.02 2kcv h GLU 68 CO -0.07 0.29 -0.25 -0.39 -1.00 0.00 0.00 179.01 177.59 2kcv h VAL 69 N 0.46 0.00 -0.12 3.13 -1.51 -1.43 -3.26 116.25 113.52 2kcv h VAL 69 Ca 0.12 -0.90 -0.11 0.00 -1.23 0.00 0.00 66.70 64.59 2kcv h VAL 69 Cb -0.05 1.76 0.00 0.00 -2.13 0.00 0.00 31.29 30.87 2kcv h VAL 69 CO -0.03 0.00 -0.34 0.00 -1.23 0.00 0.00 177.57 175.97 2kcv h ALA 70 N 2.10 0.20 0.00 5.19 0.00 -0.32 0.13 119.26 126.57 2kcv h ALA 70 Ca 0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 2kcv h ALA 70 Cb 0.95 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2kcv h ALA 70 CO 0.00 0.26 -0.42 0.07 0.00 0.00 0.00 179.25 179.16 2kcv h ARG 71 N 0.02 0.00 0.00 0.00 0.11 -1.61 -2.01 114.38 110.89 2kcv h ARG 71 Ca -0.01 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.93 2kcv h ARG 71 Cb 0.96 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.02 2kcv h ARG 71 CO 0.07 0.42 -0.97 0.93 0.10 0.00 0.00 179.97 180.52 2kcv h GLU 72 N 0.00 0.00 0.00 0.08 4.39 -1.60 -3.45 114.58 114.01 2kcv h GLU 72 Ca -0.00 0.00 -0.38 0.00 0.34 0.00 0.00 59.36 59.32 2kcv h GLU 72 Cb 0.95 0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 29.53 2kcv h GLU 72 CO 0.06 0.62 -2.44 0.39 -1.16 0.00 0.00 179.01 176.47 2kcv n GLU 73 N -4.50 0.66 -0.26 2.33 -0.58 0.39 -5.03 120.64 113.64 2kcv n GLU 73 Ca -0.23 0.12 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 2kcv n GLU 73 Cb 0.52 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 2kcv n GLU 73 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kcv n GLY 74 N 2.18 0.79 3.99 0.62 0.00 -0.76 -5.00 105.19 107.00 2kcv n GLY 74 Ca -0.43 -1.91 -0.21 0.00 0.00 0.00 0.00 46.02 43.48 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 0.76 2.62 0.31 2.61 -4.23 -1.23 -4.69 115.64 111.79 2kcv s THR 75 Ca 0.00 -0.74 0.19 0.00 -1.18 0.00 0.00 61.69 59.96 2kcv s THR 75 Cb 0.00 -2.88 0.16 0.00 1.34 0.00 0.00 72.50 71.12 2kcv s THR 75 CO 0.00 0.00 1.86 -0.61 -0.54 0.00 0.00 174.62 175.33 2kcv h GLN 76 N 0.11 0.00 0.07 3.99 5.75 -1.96 -2.36 115.11 120.71 2kcv h GLN 76 Ca -0.40 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.10 2kcv h GLN 76 Cb 1.29 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.84 2kcv h GLN 76 CO 0.48 0.30 -0.04 -0.22 -2.65 0.00 0.00 178.83 176.71 2kcv h LYS 77 N 0.00 -0.10 -0.47 1.69 3.64 -1.95 -0.58 116.57 118.80 2kcv h LYS 77 Ca -0.00 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.42 2kcv h LYS 77 Cb 0.65 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 2kcv h LYS 77 CO 0.04 0.07 0.24 -0.44 -2.27 0.00 0.00 179.45 177.09 2kcv h ASP 78 N -0.25 0.35 -0.47 4.20 3.32 -1.88 -0.82 116.42 120.87 2kcv h ASP 78 Ca -0.01 0.02 0.04 0.00 0.02 0.00 0.00 57.03 57.10 2kcv h ASP 78 Cb 0.21 -0.04 -0.04 0.00 0.22 0.00 0.00 39.33 39.68 2kcv h ASP 78 CO 0.02 0.24 0.24 0.25 -1.72 0.00 0.00 179.24 178.27 2kcv h LEU 79 N 0.47 0.35 -0.71 1.55 5.85 -1.40 -2.04 115.31 119.39 2kcv h LEU 79 Ca 0.20 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.85 2kcv h LEU 79 Cb 0.11 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 2kcv h LEU 79 CO -0.14 0.25 -0.01 -1.28 -0.34 0.00 0.00 178.44 176.92 2kcv h SER 80 N 0.48 0.96 -0.49 1.25 0.87 -0.53 -2.25 113.55 113.85 2kcv h SER 80 Ca 0.20 -0.27 -0.08 0.00 -1.23 0.00 0.00 61.79 60.42 2kcv h SER 80 Cb 0.10 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.78 2kcv h SER 80 CO -0.14 1.02 -0.00 -0.33 -0.53 0.00 0.00 176.83 176.85 2kcv h GLU 81 N 0.91 0.86 -0.21 2.24 4.39 -0.90 -1.96 114.58 119.91 2kcv h GLU 81 Ca 0.16 -0.28 -0.07 0.00 0.34 0.00 0.00 59.36 59.52 2kcv h GLU 81 Cb 0.54 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2kcv h GLU 81 CO 0.03 0.90 -0.15 -0.07 -1.16 0.00 0.00 179.01 178.56 2kcv h LEU 82 N 0.72 0.49 -0.35 1.33 3.38 -1.29 -1.90 115.31 117.69 2kcv h LEU 82 Ca 0.14 -0.45 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2kcv h LEU 82 Cb 0.51 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2kcv h LEU 82 CO 0.03 0.84 0.19 1.56 0.09 0.00 0.00 178.44 181.14 2kcv h GLN 83 N 0.16 0.49 -0.05 1.13 4.20 -1.42 -2.68 115.11 116.94 2kcv h GLN 83 Ca 0.04 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2kcv h GLN 83 Cb 0.68 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 2kcv h GLN 83 CO 0.04 0.41 0.03 0.22 -0.67 0.00 0.00 178.83 178.86 2kcv h ASP 84 N 0.44 0.05 -0.57 1.46 3.58 -1.38 -2.79 116.42 117.22 2kcv h ASP 84 Ca 0.12 -0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.56 2kcv h ASP 84 Cb 0.06 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 41.07 2kcv h ASP 84 CO -0.02 0.04 0.30 0.00 -2.88 0.00 0.00 179.24 176.68 2kcv h ALA 85 N 1.02 0.73 -0.33 -0.78 0.00 -1.25 -1.95 119.26 116.70 2kcv h ALA 85 Ca 0.02 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.71 2kcv h ALA 85 Cb -0.01 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2kcv h ALA 85 CO -0.00 0.27 -0.20 1.57 0.00 0.00 0.00 179.25 180.88 2kcv h LYS 86 N 0.77 0.73 -0.50 0.00 2.10 -1.50 -1.50 116.57 116.66 2kcv h LYS 86 Ca 0.20 -0.34 -0.11 0.00 -2.00 0.00 0.00 60.65 58.40 2kcv h LYS 86 Cb 0.08 -0.01 -0.02 0.00 -0.90 0.00 0.00 32.23 31.38 2kcv h LYS 86 CO -0.03 0.95 -0.12 1.37 -2.00 0.00 0.00 179.45 179.62 2kcv h LEU 87 N 0.50 0.94 -0.32 7.07 8.10 -1.30 -2.53 115.31 127.78 2kcv h LEU 87 Ca 0.07 -0.31 -0.19 0.00 0.11 0.00 0.00 57.88 57.56 2kcv h LEU 87 Cb 0.75 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 40.71 2kcv h LEU 87 CO 0.06 1.06 -0.85 0.07 -4.11 0.00 0.00 178.44 174.67 2kcv h LYS 88 N 0.84 0.25 -0.25 0.17 5.09 -1.41 -3.20 116.57 118.06 2kcv h LYS 88 Ca 0.13 -0.25 -0.02 0.00 0.09 0.00 0.00 60.65 60.60 2kcv h LYS 88 Cb 0.66 0.07 -0.01 0.00 0.10 0.00 0.00 32.23 33.05 2kcv h LYS 88 CO 0.05 0.96 0.05 0.00 -2.09 0.00 0.00 179.45 178.42 2kcv h ALA 89 N 0.96 1.63 -0.30 0.07 0.00 -1.08 -0.88 119.26 119.65 2kcv h ALA 89 Ca -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2kcv h ALA 89 Cb 1.46 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 2kcv h ALA 89 CO 0.13 0.29 0.19 0.93 0.00 0.00 0.00 179.25 180.79 2kcv h GLU 90 N 0.36 0.40 0.00 0.00 4.39 -1.45 -2.17 114.58 116.12 2kcv h GLU 90 Ca 0.09 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.74 2kcv h GLU 90 Cb 0.16 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 28.71 2kcv h GLU 90 CO -0.00 0.28 -0.08 0.78 -1.16 0.00 0.00 179.01 178.82 2kcv h GLY 91 N 0.43 0.00 0.91 -3.84 0.00 -1.22 -2.27 103.07 97.08 2kcv h GLY 91 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.47 2kcv h GLY 91 CO -0.02 0.00 0.65 1.41 0.00 0.00 0.00 176.54 178.58 2kcv h LEU 92 N 0.00 1.10 -3.63 3.11 3.38 -1.38 -2.69 115.31 115.20 2kcv h LEU 92 Ca -0.00 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 2kcv h LEU 92 Cb 0.17 -0.26 -0.09 0.00 0.09 0.00 0.00 40.66 40.57 2kcv h LEU 92 CO 0.01 0.77 0.17 -0.62 0.09 0.00 0.00 178.44 178.86 2kcv n GLU 93 N -4.43 3.75 0.22 1.13 1.02 -0.88 -4.44 120.64 117.01 2kcv n GLU 93 Ca 0.13 -3.09 0.07 0.00 -0.02 0.00 0.00 57.16 54.25 2kcv n GLU 93 Cb 0.07 -2.16 0.52 0.00 -0.02 0.00 0.00 31.44 29.85 2kcv n GLU 93 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 2kcv h HIS 94 N 2.72 0.00 -2.96 -0.32 2.07 -1.17 -3.43 115.15 112.07 2kcv h HIS 94 Ca 0.18 0.00 -0.53 0.00 -2.85 0.00 0.00 60.37 57.18 2kcv h HIS 94 Cb 2.13 0.00 0.03 0.00 2.57 0.00 0.00 27.41 32.14 2kcv h HIS 94 CO 1.15 0.23 0.76 -3.38 -3.07 0.00 0.00 177.93 173.62 2kcv s HIS 95 N -4.32 3.18 -1.12 6.12 -3.43 -1.26 -4.94 115.29 109.52 2kcv s HIS 95 Ca -0.03 0.87 -0.20 0.00 -0.80 0.00 0.00 55.06 54.90 2kcv s HIS 95 Cb 0.14 -3.74 0.07 0.00 -1.43 0.00 0.00 32.58 27.63 2kcv s HIS 95 CO 0.67 -2.62 1.51 -1.01 -2.00 0.00 0.00 174.74 171.29 2kcv s HIS 96 N 1.18 2.75 0.00 0.38 0.09 -1.26 -4.88 115.29 113.54 2kcv s HIS 96 Ca 0.66 -1.26 0.00 0.00 -0.00 0.00 0.00 55.06 54.46 2kcv s HIS 96 Cb -0.38 -4.64 0.00 0.00 -0.00 0.00 0.00 32.58 27.55 2kcv s HIS 96 CO 0.30 -1.81 0.00 -2.39 -0.00 0.00 0.00 174.74 170.85 2kcv n HIS 97 N 8.23 0.00 -0.62 1.40 1.44 -1.26 -4.78 115.22 119.63 2kcv n HIS 97 Ca 0.38 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.09 2kcv n HIS 97 Cb 0.49 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.60 2kcv n HIS 97 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2kcv n HIS 98 N 0.00 0.00 -1.81 -1.40 8.25 -1.26 -5.26 115.22 113.74 2kcv n HIS 98 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kcv n HIS 98 Cb 0.00 -1.81 0.00 0.00 1.12 0.00 0.00 29.99 29.30 2kcv n HIS 98 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56