#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 2.81 0.00 -1.84 1.01 -1.26 -5.02 116.67 112.37 2kcv s ASP 2 Ca 0.00 -0.86 0.00 0.00 0.71 0.00 0.00 52.55 52.40 2kcv s ASP 2 Cb 0.00 -0.17 0.00 0.00 1.01 0.00 0.00 42.92 43.76 2kcv s ASP 2 CO 0.00 -0.00 0.87 -2.65 0.21 0.00 0.00 175.17 173.60 2kcv n PRO 3 N 0.31 0.00 -0.22 8.23 -0.02 -1.26 -0.89 135.00 141.16 2kcv n PRO 3 Ca -0.13 0.37 -0.08 0.00 -2.02 0.00 0.00 63.50 61.64 2kcv n PRO 3 Cb 0.57 -1.63 0.03 0.00 -0.02 0.00 0.00 33.50 32.45 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 1.05 -6.75 -0.52 5.08 -1.97 -3.36 114.58 108.11 2kcv h GLU 4 Ca 0.00 -0.29 -0.53 0.00 -1.00 0.00 0.00 59.36 57.54 2kcv h GLU 4 Cb 0.26 -0.12 0.06 0.00 0.50 0.00 0.00 28.75 29.45 2kcv h GLU 4 CO 0.00 0.98 0.77 -0.51 -1.00 0.00 0.00 179.01 179.25 2kcv s ASP 5 N -6.45 6.63 0.16 1.42 1.01 -0.06 -4.93 116.67 114.45 2kcv s ASP 5 Ca -0.12 2.69 -0.27 0.00 0.71 0.00 0.00 52.55 55.56 2kcv s ASP 5 Cb 0.14 -2.62 0.01 0.00 1.01 0.00 0.00 42.92 41.45 2kcv s ASP 5 CO 0.84 -0.72 1.56 -0.65 0.21 0.00 0.00 175.17 176.42 2kcv h PRO 6 N 5.04 -0.24 -0.72 8.23 0.11 -1.87 -2.38 132.00 140.17 2kcv h PRO 6 Ca -0.46 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.62 2kcv h PRO 6 Cb 1.22 0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 2kcv h PRO 6 CO 0.78 -0.16 0.25 0.35 -0.21 0.00 0.00 178.00 179.02 2kcv h PHE 7 N -0.24 1.12 -0.15 0.65 3.57 -1.94 -2.27 116.94 117.67 2kcv h PHE 7 Ca 0.16 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 2kcv h PHE 7 Cb 0.56 -0.33 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 2kcv h PHE 7 CO -0.73 0.87 0.03 1.15 -2.23 0.00 0.00 178.31 177.40 2kcv h THR 8 N 1.06 1.22 0.00 4.41 2.02 -1.70 0.18 112.91 120.09 2kcv h THR 8 Ca 0.24 -0.69 -0.09 0.00 0.77 0.00 0.00 66.41 66.64 2kcv h THR 8 Cb 0.25 1.38 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 2kcv h THR 8 CO -0.01 0.21 -0.41 0.08 0.37 0.00 0.00 175.52 175.75 2kcv h ARG 9 N 0.04 0.00 -0.14 6.66 0.11 -1.51 -0.96 114.38 118.57 2kcv h ARG 9 Ca 0.05 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.09 2kcv h ARG 9 Cb 0.29 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.37 2kcv h ARG 9 CO 0.00 0.41 -0.07 -0.92 0.10 0.00 0.00 179.97 179.50 2kcv h TYR 10 N 0.00 0.33 -0.28 4.08 3.20 -1.16 0.41 116.97 123.55 2kcv h TYR 10 Ca -0.00 -0.08 -0.14 0.00 3.14 0.00 0.00 58.73 61.64 2kcv h TYR 10 Cb 0.88 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 2kcv h TYR 10 CO 0.00 0.62 -0.41 0.00 -1.64 0.00 0.00 178.16 176.73 2kcv h ALA 11 N 0.66 0.75 -0.26 1.82 0.00 -0.90 -2.45 119.26 118.87 2kcv h ALA 11 Ca 0.03 -0.45 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 2kcv h ALA 11 Cb 0.54 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2kcv h ALA 11 CO 0.02 0.66 -0.28 1.25 0.00 0.00 0.00 179.25 180.90 2kcv h LEU 12 N 0.56 0.52 -0.72 0.00 5.85 -1.18 -1.99 115.31 118.34 2kcv h LEU 12 Ca 0.04 -0.19 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 2kcv h LEU 12 Cb 0.95 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.81 2kcv h LEU 12 CO 0.09 0.78 0.21 0.00 -0.34 0.00 0.00 178.44 179.18 2kcv h ALA 13 N 1.25 0.94 -0.36 1.25 0.00 -0.67 -0.60 119.26 121.08 2kcv h ALA 13 Ca 0.06 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 2kcv h ALA 13 Cb 0.72 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2kcv h ALA 13 CO 0.06 0.63 -0.02 1.96 0.00 0.00 0.00 179.25 181.88 2kcv h GLN 14 N 1.06 0.57 -0.62 0.00 4.20 -1.19 -1.25 115.11 117.88 2kcv h GLN 14 Ca 0.23 -0.13 -0.09 0.00 0.06 0.00 0.00 58.65 58.72 2kcv h GLN 14 Cb 0.32 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2kcv h GLN 14 CO -0.01 0.61 0.04 0.93 -0.67 0.00 0.00 178.83 179.73 2kcv h GLU 15 N 0.54 1.06 -0.67 1.46 5.08 -0.78 -2.47 114.58 118.80 2kcv h GLU 15 Ca 0.11 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 2kcv h GLU 15 Cb 0.37 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.48 2kcv h GLU 15 CO 0.01 1.01 0.33 0.45 -1.00 0.00 0.00 179.01 179.81 2kcv h HIS 16 N 0.98 0.96 -0.38 4.33 3.86 -0.65 -1.86 115.15 122.39 2kcv h HIS 16 Ca 0.18 -0.04 0.03 0.00 -1.16 0.00 0.00 60.37 59.37 2kcv h HIS 16 Cb 0.51 -0.30 -0.03 0.00 1.06 0.00 0.00 27.41 28.65 2kcv h HIS 16 CO 0.04 0.71 0.20 -0.07 0.86 0.00 0.00 177.93 179.67 2kcv h LEU 17 N 0.93 0.30 -0.58 2.43 3.38 -1.03 0.30 115.31 121.04 2kcv h LEU 17 Ca 0.23 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2kcv h LEU 17 Cb 0.11 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.81 2kcv h LEU 17 CO -0.03 0.22 0.00 0.07 0.09 0.00 0.00 178.44 178.79 2kcv h LYS 18 N 0.40 0.00 -0.11 1.13 2.10 -1.42 -1.34 116.57 117.34 2kcv h LYS 18 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 2kcv h LYS 18 Cb 0.06 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 2kcv h LYS 18 CO -0.10 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.07 2kcv n HIS 19 N -2.85 0.14 -0.91 0.07 8.25 -0.70 -4.94 115.22 114.28 2kcv n HIS 19 Ca 0.03 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2kcv n HIS 19 Cb 0.40 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.51 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 -0.01 -2.97 -3.48 0.41 2.03 -0.51 -4.91 116.55 107.11 2kcv n ASP 20 Ca 0.16 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.07 2kcv n ASP 20 Cb 0.25 -1.82 -0.02 0.00 -0.72 0.00 0.00 41.12 38.82 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 -0.34 7.06 -0.29 1.67 5.03 0.95 -4.73 115.26 124.60 2kcv n ASN 21 Ca 0.00 -2.74 -0.05 0.00 0.87 0.00 0.00 54.58 52.66 2kcv n ASN 21 Cb 0.17 -1.56 0.09 0.00 -1.02 0.00 0.00 39.78 37.46 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 5.29 1.11 -0.90 5.41 0.00 -1.87 -2.11 119.26 126.19 2kcv h ALA 22 Ca 0.74 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.47 2kcv h ALA 22 Cb 0.41 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 2kcv h ALA 22 CO 1.78 0.66 0.51 0.77 0.00 0.00 0.00 179.25 182.97 2kcv h SER 23 N 1.17 1.11 -0.36 0.00 0.02 -1.95 0.54 113.55 114.08 2kcv h SER 23 Ca 0.28 -0.09 -0.16 0.00 -0.84 0.00 0.00 61.79 60.98 2kcv h SER 23 Cb 0.15 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2kcv h SER 23 CO -0.03 0.88 -0.38 0.03 -1.14 0.00 0.00 176.83 176.18 2kcv h ARG 24 N 1.25 0.90 -0.67 3.45 2.47 -1.89 -2.19 114.38 117.70 2kcv h ARG 24 Ca 0.32 -0.48 -0.06 0.00 -1.26 0.00 0.00 59.98 58.49 2kcv h ARG 24 Cb -0.00 0.02 -0.03 0.00 -1.65 0.00 0.00 29.97 28.31 2kcv h ARG 24 CO -0.05 1.13 0.17 0.00 0.56 0.00 0.00 179.97 181.77 2kcv h ALA 25 N 0.75 1.02 -0.13 0.04 0.00 -1.23 -2.78 119.26 116.93 2kcv h ALA 25 Ca 0.05 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2kcv h ALA 25 Cb 0.98 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2kcv h ALA 25 CO 0.09 0.64 0.06 1.25 0.00 0.00 0.00 179.25 181.30 2kcv h LEU 26 N 1.01 0.17 -0.54 0.00 5.85 -0.74 -1.65 115.31 119.42 2kcv h LEU 26 Ca 0.21 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.91 2kcv h LEU 26 Cb 0.35 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.26 2kcv h LEU 26 CO 0.00 0.23 0.13 0.00 -0.34 0.00 0.00 178.44 178.46 2kcv h ALA 27 N 0.94 0.63 -0.66 1.25 0.00 -1.36 -0.83 119.26 119.23 2kcv h ALA 27 Ca 0.04 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 2kcv h ALA 27 Cb 0.11 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2kcv h ALA 27 CO -0.01 -0.29 0.10 -0.07 0.00 0.00 0.00 179.25 178.99 2kcv h LEU 28 N 0.27 1.04 -0.19 0.00 3.38 -1.17 -1.14 115.31 117.50 2kcv h LEU 28 Ca 0.27 -0.25 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2kcv h LEU 28 Cb 0.37 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 2kcv h LEU 28 CO -0.34 1.03 -0.32 -0.26 0.09 0.00 0.00 178.44 178.64 2kcv h PHE 29 N 1.01 0.69 -0.95 1.13 0.04 -0.97 -0.36 116.94 117.53 2kcv h PHE 29 Ca 0.20 -0.24 0.01 0.00 2.80 0.00 0.00 57.97 60.74 2kcv h PHE 29 Cb 0.44 -0.13 -0.05 0.00 2.20 0.00 0.00 35.95 38.41 2kcv h PHE 29 CO 0.03 0.97 0.62 0.93 -0.60 0.00 0.00 178.31 180.25 2kcv h GLU 30 N 0.22 1.26 -0.03 1.51 5.08 -1.13 -1.68 114.58 119.80 2kcv h GLU 30 Ca 0.01 -0.08 -0.12 0.00 -1.00 0.00 0.00 59.36 58.16 2kcv h GLU 30 Cb 0.91 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 2kcv h GLU 30 CO 0.07 0.84 -0.56 1.49 -1.00 0.00 0.00 179.01 179.86 2kcv h GLU 31 N 1.29 0.10 -0.53 2.33 4.81 -1.16 -2.84 114.58 118.59 2kcv h GLU 31 Ca 0.35 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.46 2kcv h GLU 31 Cb -0.13 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 2kcv h GLU 31 CO -0.07 0.63 0.12 -0.07 -0.73 0.00 0.00 179.01 178.88 2kcv h LEU 32 N 0.08 0.82 0.07 1.64 3.38 -0.60 -2.62 115.31 118.08 2kcv h LEU 32 Ca -0.00 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2kcv h LEU 32 Cb 1.01 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2kcv h LEU 32 CO 0.08 0.85 -0.04 0.58 0.09 0.00 0.00 178.44 180.00 2kcv h VAL 33 N 0.75 0.98 -0.24 1.22 2.07 -1.09 0.84 116.25 120.79 2kcv h VAL 33 Ca 0.17 -0.19 -0.02 0.00 0.82 0.00 0.00 66.70 67.47 2kcv h VAL 33 Cb 0.36 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 2kcv h VAL 33 CO 0.00 0.05 0.05 1.05 0.02 0.00 0.00 177.57 178.75 2kcv h GLU 34 N -0.18 0.39 0.09 1.57 4.11 -1.55 -2.64 114.58 116.37 2kcv h GLU 34 Ca -0.01 -0.10 -0.28 0.00 0.07 0.00 0.00 59.36 59.04 2kcv h GLU 34 Cb 0.15 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2kcv h GLU 34 CO 0.02 0.50 -1.37 1.79 0.07 0.00 0.00 179.01 180.01 2kcv h THR 35 N 0.21 1.32 -2.30 -1.06 1.35 -1.51 -3.40 112.91 107.51 2kcv h THR 35 Ca 0.07 -2.97 -0.59 0.00 -0.55 0.00 0.00 66.41 62.38 2kcv h THR 35 Cb 0.29 2.80 -0.40 0.00 -1.73 0.00 0.00 68.15 69.11 2kcv h THR 35 CO 0.00 0.84 -0.87 0.47 -0.25 0.00 0.00 175.52 175.71 2kcv n ASP 36 N -3.43 1.35 0.29 5.36 8.00 0.29 -4.96 116.55 123.46 2kcv n ASP 36 Ca -0.11 -2.88 0.18 0.00 0.71 0.00 0.00 54.79 52.69 2kcv n ASP 36 Cb 1.02 -0.65 0.84 0.00 -0.02 0.00 0.00 41.12 42.32 2kcv n ASP 36 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2kcv h PRO 37 N 4.64 0.00 0.00 -0.24 0.11 -1.59 -2.75 132.00 132.17 2kcv h PRO 37 Ca 0.16 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.17 2kcv h PRO 37 Cb 0.81 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 2kcv h PRO 37 CO 0.57 0.02 -0.49 0.38 -0.21 0.00 0.00 178.00 178.26 2kcv h ASP 38 N 0.00 0.00 -1.00 -2.05 2.03 -1.90 -3.42 116.42 110.08 2kcv h ASP 38 Ca -0.00 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 55.95 2kcv h ASP 38 Cb 0.36 0.00 -0.05 0.00 -0.83 0.00 0.00 39.33 38.81 2kcv h ASP 38 CO 0.00 0.49 0.90 -0.47 -1.03 0.00 0.00 179.24 179.13 2kcv s TYR 39 N -3.58 1.83 0.36 4.15 6.14 -1.04 -4.73 117.35 120.48 2kcv s TYR 39 Ca -0.00 0.57 0.07 0.00 0.64 0.00 0.00 57.07 58.34 2kcv s TYR 39 Cb 0.12 -4.10 0.67 0.00 0.42 0.00 0.00 41.96 39.07 2kcv s TYR 39 CO 0.72 -1.87 1.88 0.28 0.64 0.00 0.00 175.55 177.20 2kcv h VAL 40 N 7.15 1.20 -0.46 3.14 2.07 -1.88 -3.04 116.25 124.42 2kcv h VAL 40 Ca 0.03 -0.85 0.07 0.00 0.82 0.00 0.00 66.70 66.77 2kcv h VAL 40 Cb 1.04 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 2kcv h VAL 40 CO 1.22 0.27 0.31 1.23 0.02 0.00 0.00 177.57 180.63 2kcv h GLY 41 N 0.81 0.44 0.74 2.17 0.00 -1.98 -2.08 103.07 103.18 2kcv h GLY 41 Ca 0.07 -0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.27 2kcv h GLY 41 CO 0.02 0.11 -0.15 -0.84 0.00 0.00 0.00 176.54 175.67 2kcv h THR 42 N 0.35 0.65 -0.87 4.70 2.02 -1.93 -3.25 112.91 114.57 2kcv h THR 42 Ca 0.20 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.41 2kcv h THR 42 Cb 0.35 0.65 -0.05 0.00 -1.74 0.00 0.00 68.15 67.36 2kcv h THR 42 CO -0.05 0.00 0.56 1.88 0.37 0.00 0.00 175.52 178.29 2kcv h TYR 43 N -0.31 1.06 0.22 3.16 0.05 -1.53 0.17 116.97 119.79 2kcv h TYR 43 Ca 0.02 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 2kcv h TYR 43 Cb 0.32 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 2kcv h TYR 43 CO -0.16 0.62 -0.21 -0.92 -1.05 0.00 0.00 178.16 176.43 2kcv h TYR 44 N 1.10 -0.58 -0.19 4.88 3.20 -1.63 -1.99 116.97 121.75 2kcv h TYR 44 Ca 0.34 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.22 2kcv h TYR 44 Cb -0.01 0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.48 2kcv h TYR 44 CO -0.02 -0.28 0.11 0.45 -1.64 0.00 0.00 178.16 176.78 2kcv h HIS 45 N -0.43 0.24 -0.25 -3.82 3.86 -1.46 -0.01 115.15 113.29 2kcv h HIS 45 Ca -0.03 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.07 2kcv h HIS 45 Cb 0.37 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.75 2kcv h HIS 45 CO -0.13 0.17 -0.31 1.25 0.86 0.00 0.00 177.93 179.77 2kcv h LEU 46 N 0.26 0.70 -0.52 2.43 5.85 -1.03 -2.05 115.31 120.95 2kcv h LEU 46 Ca 0.07 -0.50 -0.16 0.00 0.84 0.00 0.00 57.88 58.13 2kcv h LEU 46 Cb -0.00 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.82 2kcv h LEU 46 CO -0.01 1.06 -0.63 1.23 -0.34 0.00 0.00 178.44 179.75 2kcv h GLY 47 N 0.36 0.45 1.03 3.75 0.00 -0.53 -1.57 103.07 106.57 2kcv h GLY 47 Ca 0.03 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 46.76 2kcv h GLY 47 CO 0.07 0.51 0.38 0.50 0.00 0.00 0.00 176.54 178.01 2kcv h LYS 48 N 0.30 1.16 -0.48 4.80 1.79 -1.03 -0.58 116.57 122.54 2kcv h LYS 48 Ca -0.01 -0.18 -0.12 0.00 -2.18 0.00 0.00 60.65 58.17 2kcv h LYS 48 Cb 1.17 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.60 2kcv h LYS 48 CO 0.11 0.90 -0.15 1.25 -1.08 0.00 0.00 179.45 180.48 2kcv h LEU 49 N 1.14 0.97 -0.90 2.94 5.85 -1.25 -2.83 115.31 121.23 2kcv h LEU 49 Ca 0.28 -0.37 0.01 0.00 0.84 0.00 0.00 57.88 58.63 2kcv h LEU 49 Cb 0.13 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 2kcv h LEU 49 CO -0.03 1.12 0.59 1.88 -0.34 0.00 0.00 178.44 181.66 2kcv h TYR 50 N 0.81 1.14 -0.90 1.25 0.05 -0.87 -1.80 116.97 116.65 2kcv h TYR 50 Ca 0.12 0.02 0.05 0.00 0.05 0.00 0.00 58.73 58.98 2kcv h TYR 50 Cb 0.71 -0.38 -0.06 0.00 1.01 0.00 0.00 36.73 38.01 2kcv h TYR 50 CO 0.05 0.72 0.59 0.93 -1.05 0.00 0.00 178.16 179.40 2kcv h GLU 51 N 1.22 1.03 -0.10 4.88 5.08 -0.94 0.23 114.58 125.98 2kcv h GLU 51 Ca 0.33 -0.06 -0.16 0.00 -1.00 0.00 0.00 59.36 58.46 2kcv h GLU 51 Cb -0.13 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 28.88 2kcv h GLU 51 CO -0.07 0.68 -0.64 0.00 -1.00 0.00 0.00 179.01 177.98 2kcv h ARG 52 N 1.06 0.38 -0.20 2.33 3.08 -1.17 -2.96 114.38 116.90 2kcv h ARG 52 Ca 0.37 -0.27 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2kcv h ARG 52 Cb 0.13 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2kcv h ARG 52 CO -0.13 0.89 0.00 1.28 -1.07 0.00 0.00 179.97 180.94 2kcv n LEU 53 N -3.88 1.10 -0.97 3.04 4.77 -0.73 -4.88 117.00 115.44 2kcv n LEU 53 Ca -0.03 -0.54 -0.12 0.00 -0.03 0.00 0.00 56.01 55.29 2kcv n LEU 53 Cb 0.65 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 2kcv n LEU 53 CO 0.46 0.27 -0.11 -0.67 -1.33 0.00 0.00 177.39 176.01 2kcv n ASP 54 N 0.08 -5.15 -2.88 -1.43 2.03 -0.99 -4.87 116.55 103.35 2kcv n ASP 54 Ca 0.08 0.29 -0.30 0.00 0.52 0.00 0.00 54.79 55.38 2kcv n ASP 54 Cb 0.18 -3.98 -0.06 0.00 -0.72 0.00 0.00 41.12 36.54 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 -1.07 3.28 -0.10 -0.67 5.12 0.75 -4.67 116.66 119.29 2kcv n ARG 55 Ca -0.12 -2.29 -0.04 0.00 -1.93 0.00 0.00 57.85 53.47 2kcv n ARG 55 Cb 0.56 -2.43 0.17 0.00 -1.16 0.00 0.00 32.46 29.60 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 -0.78 0.55 2.02 -1.89 -1.02 112.91 115.48 2kcv h THR 56 Ca 0.57 -0.99 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 2kcv h THR 56 Cb 0.67 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.92 2kcv h THR 56 CO 1.15 0.35 0.45 -0.78 0.37 0.00 0.00 175.52 177.05 2kcv h ASP 57 N 0.73 0.96 -0.47 4.18 3.58 -1.94 -1.69 116.42 121.78 2kcv h ASP 57 Ca 0.14 -0.08 -0.11 0.00 0.42 0.00 0.00 57.03 57.40 2kcv h ASP 57 Cb 0.44 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.23 2kcv h ASP 57 CO 0.02 0.76 -0.14 0.44 -2.88 0.00 0.00 179.24 177.44 2kcv h ASP 58 N 1.07 0.96 -0.11 2.28 5.19 -1.81 -2.73 116.42 121.27 2kcv h ASP 58 Ca 0.28 -0.32 0.01 0.00 -0.62 0.00 0.00 57.03 56.38 2kcv h ASP 58 Cb 0.00 -0.26 -0.01 0.00 0.18 0.00 0.00 39.33 39.24 2kcv h ASP 58 CO -0.05 1.09 0.02 0.00 -3.12 0.00 0.00 179.24 177.19 2kcv h ALA 59 N 0.99 0.11 -0.87 3.45 0.00 -0.69 -0.50 119.26 121.74 2kcv h ALA 59 Ca 0.13 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2kcv h ALA 59 Cb 0.69 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.45 2kcv h ALA 59 CO 0.05 -0.44 0.56 0.82 0.00 0.00 0.00 179.25 180.24 2kcv h ILE 60 N 0.07 1.10 -0.37 0.00 1.08 -1.27 -1.09 117.51 117.03 2kcv h ILE 60 Ca 0.05 -0.36 -0.06 0.00 -0.39 0.00 0.00 64.86 64.10 2kcv h ILE 60 Cb 0.04 -0.04 -0.01 0.00 -3.07 0.00 0.00 36.82 33.74 2kcv h ILE 60 CO -0.07 0.19 -0.01 -0.78 -0.69 0.00 0.00 178.15 176.79 2kcv h ASP 61 N 1.05 0.66 -0.37 1.72 1.82 -1.21 -1.34 116.42 118.75 2kcv h ASP 61 Ca 0.36 -0.32 -0.06 0.00 -0.39 0.00 0.00 57.03 56.62 2kcv h ASP 61 Cb 0.08 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 39.90 2kcv h ASP 61 CO -0.14 0.81 -0.01 0.74 -1.61 0.00 0.00 179.24 179.03 2kcv h THR 62 N 0.48 1.26 -0.68 2.25 2.02 -0.66 -1.71 112.91 115.87 2kcv h THR 62 Ca 0.10 -1.02 -0.07 0.00 0.77 0.00 0.00 66.41 66.20 2kcv h THR 62 Cb 0.48 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.05 2kcv h THR 62 CO 0.02 0.34 0.16 1.88 0.37 0.00 0.00 175.52 178.29 2kcv h TYR 63 N 0.47 1.14 -0.20 3.16 0.05 -1.21 -0.66 116.97 119.72 2kcv h TYR 63 Ca 0.10 -0.14 0.01 0.00 0.05 0.00 0.00 58.73 58.75 2kcv h TYR 63 Cb 0.48 -0.32 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 2kcv h TYR 63 CO 0.04 0.94 0.12 0.00 -1.05 0.00 0.00 178.16 178.21 2kcv h ALA 64 N 1.07 0.25 -0.93 3.88 0.00 -1.09 0.75 119.26 123.19 2kcv h ALA 64 Ca 0.21 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.13 2kcv h ALA 64 Cb 0.37 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2kcv h ALA 64 CO 0.00 -0.29 0.61 1.96 0.00 0.00 0.00 179.25 181.54 2kcv h GLN 65 N 0.25 1.20 -0.67 0.00 1.08 -1.23 -2.62 115.11 113.12 2kcv h GLN 65 Ca 0.08 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2kcv h GLN 65 Cb -0.01 -0.27 -0.03 0.00 -0.05 0.00 0.00 27.48 27.11 2kcv h GLN 65 CO -0.03 0.80 0.40 0.78 -0.95 0.00 0.00 178.83 179.82 2kcv h GLY 66 N 1.24 0.97 0.78 3.46 0.00 -0.54 -3.18 103.07 105.81 2kcv h GLY 66 Ca 0.35 -0.41 0.06 0.00 0.00 0.00 0.00 47.33 47.33 2kcv h GLY 66 CO -0.08 0.40 0.64 -2.22 0.00 0.00 0.00 176.54 175.28 2kcv h ILE 67 N 0.91 1.10 -0.04 2.60 2.04 -0.47 0.40 117.51 124.04 2kcv h ILE 67 Ca 0.24 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.70 2kcv h ILE 67 Cb -0.02 -0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 35.88 2kcv h ILE 67 CO -0.04 0.21 0.02 -0.33 0.00 0.00 0.00 178.15 178.01 2kcv h GLU 68 N 1.17 0.05 0.00 2.37 5.08 -1.53 -2.90 114.58 118.83 2kcv h GLU 68 Ca 0.42 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.78 2kcv h GLU 68 Cb 0.15 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2kcv h GLU 68 CO -0.16 0.10 -0.20 -0.39 -1.00 0.00 0.00 179.01 177.36 2kcv h VAL 69 N -0.01 0.00 -0.11 3.13 -1.51 -1.44 -3.34 116.25 112.96 2kcv h VAL 69 Ca 0.01 -0.99 -0.15 0.00 -1.23 0.00 0.00 66.70 64.35 2kcv h VAL 69 Cb 0.07 1.89 0.01 0.00 -2.13 0.00 0.00 31.29 31.12 2kcv h VAL 69 CO -0.00 0.00 -0.50 0.00 -1.23 0.00 0.00 177.57 175.83 2kcv h ALA 70 N 2.01 0.21 -0.48 5.19 0.00 -0.06 0.16 119.26 126.30 2kcv h ALA 70 Ca 0.00 -0.50 -0.09 0.00 0.00 0.00 0.00 54.91 54.31 2kcv h ALA 70 Cb 0.99 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2kcv h ALA 70 CO 0.00 0.40 -0.08 0.07 0.00 0.00 0.00 179.25 179.64 2kcv h ARG 71 N 0.15 0.84 0.00 0.00 0.11 -1.65 -2.61 114.38 111.22 2kcv h ARG 71 Ca -0.03 -0.27 -0.13 0.00 0.10 0.00 0.00 59.98 59.65 2kcv h ARG 71 Cb 1.14 -0.07 -0.02 0.00 1.11 0.00 0.00 29.97 32.13 2kcv h ARG 71 CO 0.10 0.89 -0.91 0.93 0.10 0.00 0.00 179.97 181.08 2kcv h GLU 72 N 0.77 0.00 0.17 0.08 5.08 -1.68 -3.44 114.58 115.57 2kcv h GLU 72 Ca 0.13 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.15 2kcv h GLU 72 Cb 0.57 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.82 2kcv h GLU 72 CO 0.03 0.58 -1.74 0.93 -1.00 0.00 0.00 179.01 177.81 2kcv h GLU 73 N -1.00 0.36 0.00 2.33 4.39 -0.85 -3.47 114.58 116.35 2kcv h GLU 73 Ca -0.20 -0.62 0.00 0.00 0.34 0.00 0.00 59.36 58.88 2kcv h GLU 73 Cb 0.95 0.23 0.00 0.00 -0.10 0.00 0.00 28.75 29.84 2kcv h GLU 73 CO -0.12 1.28 0.00 0.41 -1.16 0.00 0.00 179.01 179.42 2kcv n GLY 74 N 1.84 0.93 4.03 -3.84 0.00 -0.99 -5.02 105.19 102.14 2kcv n GLY 74 Ca -0.24 -1.91 -0.19 0.00 0.00 0.00 0.00 46.02 43.68 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 1.09 2.42 0.51 2.61 -4.23 -1.22 -4.70 115.64 112.12 2kcv s THR 75 Ca 0.00 -0.98 0.27 0.00 -1.18 0.00 0.00 61.69 59.80 2kcv s THR 75 Cb 0.00 -2.44 0.31 0.00 1.34 0.00 0.00 72.50 71.71 2kcv s THR 75 CO 0.00 0.00 2.16 -0.61 -0.54 0.00 0.00 174.62 175.63 2kcv h GLN 76 N 0.30 0.00 0.05 3.99 4.15 -1.89 -2.27 115.11 119.44 2kcv h GLN 76 Ca -0.33 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.08 2kcv h GLN 76 Cb 1.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.98 2kcv h GLN 76 CO 0.42 0.06 -0.03 -0.22 -1.93 0.00 0.00 178.83 177.14 2kcv h LYS 77 N 0.00 -0.07 -0.78 1.69 3.64 -1.95 -0.76 116.57 118.34 2kcv h LYS 77 Ca -0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2kcv h LYS 77 Cb 0.15 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 31.95 2kcv h LYS 77 CO 0.01 -0.02 0.39 -0.44 -2.27 0.00 0.00 179.45 177.11 2kcv h ASP 78 N -0.09 1.02 -0.19 4.20 3.32 -1.74 -0.25 116.42 122.68 2kcv h ASP 78 Ca -0.01 -0.13 0.04 0.00 0.02 0.00 0.00 57.03 56.95 2kcv h ASP 78 Cb 0.08 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 2kcv h ASP 78 CO 0.01 0.85 -0.03 0.25 -1.72 0.00 0.00 179.24 178.61 2kcv h LEU 79 N 1.10 -0.13 -1.16 1.55 5.85 -1.40 -2.59 115.31 118.53 2kcv h LEU 79 Ca 0.27 0.05 -0.06 0.00 0.84 0.00 0.00 57.88 58.98 2kcv h LEU 79 Cb 0.10 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2kcv h LEU 79 CO -0.04 -0.04 -0.08 -1.28 -0.34 0.00 0.00 178.44 176.66 2kcv h SER 80 N 0.03 0.47 -0.22 1.25 0.87 -0.33 -2.31 113.55 113.31 2kcv h SER 80 Ca 0.09 -0.11 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 2kcv h SER 80 Cb 0.13 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 2kcv h SER 80 CO -0.18 0.59 -0.02 -0.33 -0.53 0.00 0.00 176.83 176.37 2kcv h GLU 81 N 0.46 0.40 -0.05 2.24 4.39 -0.83 -1.69 114.58 119.50 2kcv h GLU 81 Ca 0.09 -0.14 -0.18 0.00 0.34 0.00 0.00 59.36 59.47 2kcv h GLU 81 Cb 0.43 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.04 2kcv h GLU 81 CO 0.02 0.61 -0.75 -0.07 -1.16 0.00 0.00 179.01 177.66 2kcv h LEU 82 N 0.15 0.35 -0.24 1.33 3.38 -1.34 0.57 115.31 119.51 2kcv h LEU 82 Ca 0.06 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 2kcv h LEU 82 Cb 0.44 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2kcv h LEU 82 CO 0.01 0.98 -0.05 1.56 0.09 0.00 0.00 178.44 181.04 2kcv h GLN 83 N 0.19 0.46 -0.49 1.13 4.20 -1.46 -2.73 115.11 116.41 2kcv h GLN 83 Ca -0.03 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.48 2kcv h GLN 83 Cb 1.33 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 29.06 2kcv h GLN 83 CO 0.12 0.68 0.21 0.22 -0.67 0.00 0.00 178.83 179.39 2kcv h ASP 84 N 0.20 0.66 -0.53 1.46 3.58 -1.19 -2.92 116.42 117.69 2kcv h ASP 84 Ca 0.06 -0.15 -0.12 0.00 0.42 0.00 0.00 57.03 57.24 2kcv h ASP 84 Cb 0.50 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 2kcv h ASP 84 CO 0.02 0.63 -0.14 0.00 -2.88 0.00 0.00 179.24 176.87 2kcv h ALA 85 N 1.05 0.74 -0.34 -0.78 0.00 -0.89 -2.40 119.26 116.65 2kcv h ALA 85 Ca 0.16 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 2kcv h ALA 85 Cb 0.17 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2kcv h ALA 85 CO -0.02 0.68 -0.28 1.57 0.00 0.00 0.00 179.25 181.20 2kcv h LYS 86 N 0.91 0.79 -0.22 0.00 2.10 -1.52 -1.52 116.57 117.11 2kcv h LYS 86 Ca 0.13 -0.40 -0.10 0.00 -2.00 0.00 0.00 60.65 58.29 2kcv h LYS 86 Cb 0.72 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.04 2kcv h LYS 86 CO 0.05 1.02 -0.29 1.37 -2.00 0.00 0.00 179.45 179.61 2kcv h LEU 87 N 0.57 0.44 -0.13 7.07 8.10 -1.37 -2.11 115.31 127.89 2kcv h LEU 87 Ca 0.06 -0.16 -0.23 0.00 0.11 0.00 0.00 57.88 57.66 2kcv h LEU 87 Cb 0.85 -0.12 -0.00 0.00 -0.44 0.00 0.00 40.66 40.95 2kcv h LEU 87 CO 0.07 0.72 -0.99 0.07 -4.11 0.00 0.00 178.44 174.20 2kcv h LYS 88 N 0.38 0.32 -0.34 0.17 5.09 -1.50 -3.28 116.57 117.42 2kcv h LYS 88 Ca 0.05 -0.38 0.04 0.00 0.09 0.00 0.00 60.65 60.44 2kcv h LYS 88 Cb 0.70 0.12 -0.02 0.00 0.10 0.00 0.00 32.23 33.13 2kcv h LYS 88 CO 0.05 1.09 0.23 0.00 -2.09 0.00 0.00 179.45 178.73 2kcv h ALA 89 N 0.77 1.93 -0.69 0.07 0.00 -0.89 -2.53 119.26 117.92 2kcv h ALA 89 Ca -0.08 -0.02 0.20 0.00 0.00 0.00 0.00 54.91 55.01 2kcv h ALA 89 Cb 1.65 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 2kcv h ALA 89 CO 0.16 0.02 0.65 0.93 0.00 0.00 0.00 179.25 181.02 2kcv h GLU 90 N 0.31 0.00 -0.67 0.00 4.39 -1.45 -1.69 114.58 115.47 2kcv h GLU 90 Ca 0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.84 2kcv h GLU 90 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 2kcv h GLU 90 CO -0.03 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.23 2kcv n GLY 91 N -1.60 2.41 0.00 -3.84 0.00 -0.95 -4.51 105.19 96.70 2kcv n GLY 91 Ca 0.14 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2kcv n GLY 91 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kcv n LEU 92 N 0.56 1.15 -0.10 0.99 4.77 -0.64 -4.68 117.00 119.06 2kcv n LEU 92 Ca 0.20 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 56.09 2kcv n LEU 92 Cb 0.87 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.95 2kcv n LEU 92 CO 0.22 0.00 1.01 1.05 -1.33 0.00 0.00 177.39 178.34 2kcv h GLU 93 N 0.00 0.44 -2.80 3.23 4.11 -1.81 -3.42 114.58 114.33 2kcv h GLU 93 Ca 0.00 -0.03 -0.15 0.00 0.07 0.00 0.00 59.36 59.25 2kcv h GLU 93 Cb 0.00 -0.10 -0.28 0.00 0.50 0.00 0.00 28.75 28.87 2kcv h GLU 93 CO 0.00 0.29 -0.39 -1.01 0.07 0.00 0.00 179.01 177.97 2kcv s HIS 94 N -6.17 -0.49 -0.67 2.06 3.76 -1.26 -5.10 115.29 107.42 2kcv s HIS 94 Ca -0.13 1.08 -0.26 0.00 -0.15 0.00 0.00 55.06 55.60 2kcv s HIS 94 Cb 0.10 0.16 -0.01 0.00 1.11 0.00 0.00 32.58 33.94 2kcv s HIS 94 CO 0.71 -0.31 1.72 -1.01 -0.85 0.00 0.00 174.74 175.01 2kcv s HIS 95 N 1.49 1.83 -0.91 1.40 3.76 -1.26 -4.58 115.29 117.02 2kcv s HIS 95 Ca -0.08 0.55 -0.24 0.00 -0.15 0.00 0.00 55.06 55.14 2kcv s HIS 95 Cb -0.10 -4.22 -0.23 0.00 1.11 0.00 0.00 32.58 29.14 2kcv s HIS 95 CO -0.11 -2.21 2.49 0.72 -0.85 0.00 0.00 174.74 174.78 2kcv n HIS 96 N 11.98 0.58 -3.82 1.40 -0.00 -1.26 -4.89 115.22 119.20 2kcv n HIS 96 Ca 0.18 0.21 -0.35 0.00 -0.00 0.00 0.00 57.72 57.76 2kcv n HIS 96 Cb 0.51 -1.92 -0.12 0.00 -0.00 0.00 0.00 29.99 28.46 2kcv n HIS 96 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kcv s HIS 97 N 7.47 3.52 -0.87 4.41 5.65 -1.26 -5.06 115.29 129.15 2kcv s HIS 97 Ca 1.26 -2.69 -0.22 0.00 0.25 0.00 0.00 55.06 53.66 2kcv s HIS 97 Cb -0.91 -3.12 0.07 0.00 -1.18 0.00 0.00 32.58 27.44 2kcv s HIS 97 CO 0.45 -0.91 1.23 -1.58 -0.65 0.00 0.00 174.74 173.28 2kcv s HIS 98 N 0.60 2.68 -2.06 3.88 2.46 -1.26 -5.23 115.29 116.36 2kcv s HIS 98 Ca 0.12 -0.78 0.32 0.00 0.47 0.00 0.00 55.06 55.18 2kcv s HIS 98 Cb -0.22 -4.49 1.81 0.00 -0.13 0.00 0.00 32.58 29.56 2kcv s HIS 98 CO -0.04 -1.78 2.18 1.58 -2.47 0.00 0.00 174.74 174.20