#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 6.38 0.21 1.62 -4.77 -1.26 -4.95 116.67 113.90 2kcv s ASP 2 Ca 0.00 0.16 0.22 0.00 -3.30 0.00 0.00 52.55 49.63 2kcv s ASP 2 Cb 0.00 -2.29 0.91 0.00 -1.09 0.00 0.00 42.92 40.46 2kcv s ASP 2 CO 0.00 -0.47 1.67 -0.81 0.70 0.00 0.00 175.17 176.26 2kcv n PRO 3 N 5.79 0.16 0.26 2.11 -0.04 -1.26 -3.02 135.00 138.99 2kcv n PRO 3 Ca -0.03 0.39 0.16 0.00 -0.04 0.00 0.00 63.50 63.98 2kcv n PRO 3 Cb 0.49 -1.80 0.60 0.00 -0.04 0.00 0.00 33.50 32.74 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 -6.74 0.54 5.08 -1.97 -3.30 114.58 108.19 2kcv h GLU 4 Ca 0.00 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.83 2kcv h GLU 4 Cb 0.35 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.67 2kcv h GLU 4 CO 0.00 0.00 0.95 0.34 -1.00 0.00 0.00 179.01 179.30 2kcv s ASP 5 N -5.66 6.37 0.12 1.42 -1.08 -1.17 -4.93 116.67 111.74 2kcv s ASP 5 Ca 0.02 2.92 -0.23 0.00 -0.52 0.00 0.00 52.55 54.75 2kcv s ASP 5 Cb 0.08 -2.62 -0.05 0.00 -1.46 0.00 0.00 42.92 38.87 2kcv s ASP 5 CO 0.55 -0.95 1.67 1.55 0.52 0.00 0.00 175.17 178.52 2kcv h PRO 6 N 5.68 -0.21 -0.04 4.34 0.13 -1.93 -2.07 132.00 137.90 2kcv h PRO 6 Ca -0.45 0.01 -0.09 0.00 -0.87 0.00 0.00 66.00 64.61 2kcv h PRO 6 Cb 1.21 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2kcv h PRO 6 CO 0.86 -0.14 -0.37 0.35 -0.23 0.00 0.00 178.00 178.47 2kcv h PHE 7 N -0.22 0.09 -0.04 1.56 3.57 -1.95 -1.45 116.94 118.50 2kcv h PHE 7 Ca 0.07 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 2kcv h PHE 7 Cb 0.31 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.03 2kcv h PHE 7 CO -0.23 0.45 -0.00 1.15 -2.23 0.00 0.00 178.31 177.44 2kcv h THR 8 N 0.07 1.25 0.00 4.41 2.02 -1.77 -0.53 112.91 118.36 2kcv h THR 8 Ca 0.01 -0.77 -0.10 0.00 0.77 0.00 0.00 66.41 66.31 2kcv h THR 8 Cb 0.69 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.78 2kcv h THR 8 CO 0.05 0.21 -0.48 0.08 0.37 0.00 0.00 175.52 175.75 2kcv h ARG 9 N -0.22 0.00 -0.11 6.66 0.11 -1.35 0.90 114.38 120.37 2kcv h ARG 9 Ca 0.01 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.09 2kcv h ARG 9 Cb 0.33 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.41 2kcv h ARG 9 CO 0.00 0.48 0.04 -0.92 0.10 0.00 0.00 179.97 179.68 2kcv h TYR 10 N 0.00 0.17 -0.13 4.08 3.20 -1.22 -0.30 116.97 122.76 2kcv h TYR 10 Ca -0.00 -0.01 -0.16 0.00 3.14 0.00 0.00 58.73 61.69 2kcv h TYR 10 Cb 1.12 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.33 2kcv h TYR 10 CO 0.00 0.27 -0.60 0.00 -1.64 0.00 0.00 178.16 176.19 2kcv h ALA 11 N 0.88 0.72 -0.17 1.82 0.00 -0.95 -2.68 119.26 118.88 2kcv h ALA 11 Ca 0.04 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.31 2kcv h ALA 11 Cb 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2kcv h ALA 11 CO -0.00 0.71 -0.35 1.25 0.00 0.00 0.00 179.25 180.86 2kcv h LEU 12 N 0.33 0.38 -0.75 0.00 5.85 -0.82 -1.63 115.31 118.67 2kcv h LEU 12 Ca -0.00 -0.15 -0.07 0.00 0.84 0.00 0.00 57.88 58.50 2kcv h LEU 12 Cb 1.13 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.03 2kcv h LEU 12 CO 0.11 0.70 0.16 0.00 -0.34 0.00 0.00 178.44 179.07 2kcv h ALA 13 N 1.32 0.97 -0.26 1.25 0.00 -0.90 -0.69 119.26 120.95 2kcv h ALA 13 Ca 0.04 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2kcv h ALA 13 Cb 0.77 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2kcv h ALA 13 CO 0.06 0.66 -0.14 1.96 0.00 0.00 0.00 179.25 181.79 2kcv h GLN 14 N 1.05 0.45 -0.33 0.00 4.20 -1.12 -0.92 115.11 118.44 2kcv h GLN 14 Ca 0.22 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.77 2kcv h GLN 14 Cb 0.38 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 2kcv h GLN 14 CO 0.00 0.59 0.10 0.93 -0.67 0.00 0.00 178.83 179.78 2kcv h GLU 15 N 0.41 0.51 -0.93 1.46 4.39 -0.90 -2.82 114.58 116.69 2kcv h GLU 15 Ca 0.08 -0.11 0.02 0.00 0.34 0.00 0.00 59.36 59.68 2kcv h GLU 15 Cb 0.50 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.03 2kcv h GLU 15 CO 0.03 0.55 0.62 0.45 -1.16 0.00 0.00 179.01 179.49 2kcv h HIS 16 N 0.37 1.16 -0.29 4.33 3.86 -0.69 -0.20 115.15 123.70 2kcv h HIS 16 Ca 0.11 0.03 0.05 0.00 -1.16 0.00 0.00 60.37 59.39 2kcv h HIS 16 Cb 0.25 -0.39 -0.04 0.00 1.06 0.00 0.00 27.41 28.29 2kcv h HIS 16 CO 0.01 0.71 0.03 -0.07 0.86 0.00 0.00 177.93 179.47 2kcv h LEU 17 N 1.24 -0.05 -0.95 2.43 3.38 -1.11 0.40 115.31 120.65 2kcv h LEU 17 Ca 0.35 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.27 2kcv h LEU 17 Cb -0.10 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2kcv h LEU 17 CO -0.09 0.01 -0.48 0.11 0.09 0.00 0.00 178.44 178.08 2kcv h LYS 18 N 0.13 0.09 -0.56 1.13 1.57 -1.19 -2.54 116.57 115.20 2kcv h LYS 18 Ca 0.14 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2kcv h LYS 18 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2kcv h LYS 18 CO -0.21 0.56 0.00 0.72 -0.57 0.00 0.00 179.45 179.95 2kcv n HIS 19 N -3.96 0.72 -0.86 -1.35 8.25 -0.13 -4.92 115.22 112.97 2kcv n HIS 19 Ca -0.02 -0.29 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 2kcv n HIS 19 Cb 0.51 -0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.49 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 0.43 -2.00 -2.89 0.41 2.03 -0.65 -4.89 116.55 108.99 2kcv n ASP 20 Ca 0.13 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.13 2kcv n ASP 20 Cb 0.49 -1.60 -0.06 0.00 -0.72 0.00 0.00 41.12 39.23 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 -0.22 7.21 0.02 1.67 5.03 0.13 -4.70 115.26 124.40 2kcv n ASN 21 Ca 0.00 -2.94 -0.00 0.00 0.87 0.00 0.00 54.58 52.51 2kcv n ASN 21 Cb 0.11 -1.37 0.29 0.00 -1.02 0.00 0.00 39.78 37.79 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 3.91 1.33 -0.66 5.41 0.00 -1.85 -1.09 119.26 126.31 2kcv h ALA 22 Ca 0.55 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 2kcv h ALA 22 Cb 0.64 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 2kcv h ALA 22 CO 1.13 0.45 0.19 0.77 0.00 0.00 0.00 179.25 181.79 2kcv h SER 23 N 0.44 0.95 0.32 0.00 0.02 -1.94 0.73 113.55 114.08 2kcv h SER 23 Ca 0.09 -0.17 -0.16 0.00 -0.84 0.00 0.00 61.79 60.70 2kcv h SER 23 Cb 0.41 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 2kcv h SER 23 CO 0.02 0.90 -0.66 0.03 -1.14 0.00 0.00 176.83 175.98 2kcv h ARG 24 N 0.97 0.31 -0.65 3.45 2.47 -1.78 -2.02 114.38 117.13 2kcv h ARG 24 Ca 0.21 -0.23 -0.08 0.00 -1.26 0.00 0.00 59.98 58.62 2kcv h ARG 24 Cb 0.30 0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.64 2kcv h ARG 24 CO -0.01 0.86 0.08 0.00 0.56 0.00 0.00 179.97 181.46 2kcv h ALA 25 N 1.08 0.87 -0.42 0.04 0.00 -1.03 -2.43 119.26 117.36 2kcv h ALA 25 Ca -0.01 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2kcv h ALA 25 Cb 1.19 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2kcv h ALA 25 CO 0.11 0.66 0.19 1.25 0.00 0.00 0.00 179.25 181.45 2kcv h LEU 26 N 1.01 0.57 -0.43 0.00 5.85 -0.70 -1.83 115.31 119.78 2kcv h LEU 26 Ca 0.19 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.80 2kcv h LEU 26 Cb 0.48 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 2kcv h LEU 26 CO 0.02 0.55 0.23 0.00 -0.34 0.00 0.00 178.44 178.90 2kcv h ALA 27 N 1.04 0.55 -0.42 1.25 0.00 -1.31 -0.68 119.26 119.69 2kcv h ALA 27 Ca 0.14 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2kcv h ALA 27 Cb 0.15 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2kcv h ALA 27 CO -0.02 -0.12 -0.09 -0.07 0.00 0.00 0.00 179.25 178.96 2kcv h LEU 28 N 0.46 0.72 -0.28 0.00 3.38 -1.14 -0.60 115.31 117.84 2kcv h LEU 28 Ca 0.18 -0.20 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2kcv h LEU 28 Cb 0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2kcv h LEU 28 CO -0.12 0.85 -0.19 -0.26 0.09 0.00 0.00 178.44 178.81 2kcv h PHE 29 N 0.68 0.73 -0.37 1.13 0.04 -1.08 -1.10 116.94 116.97 2kcv h PHE 29 Ca 0.12 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 60.68 2kcv h PHE 29 Cb 0.55 -0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.51 2kcv h PHE 29 CO 0.03 0.89 0.17 0.93 -0.60 0.00 0.00 178.31 179.73 2kcv h GLU 30 N 0.36 0.52 -0.09 1.51 5.08 -0.99 -2.34 114.58 118.64 2kcv h GLU 30 Ca 0.06 -0.06 -0.19 0.00 -1.00 0.00 0.00 59.36 58.18 2kcv h GLU 30 Cb 0.73 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.87 2kcv h GLU 30 CO 0.05 0.41 -0.73 1.49 -1.00 0.00 0.00 179.01 179.24 2kcv h GLU 31 N 0.52 0.43 -0.11 2.33 4.81 -0.95 -2.32 114.58 119.30 2kcv h GLU 31 Ca 0.13 -0.35 0.02 0.00 -0.13 0.00 0.00 59.36 59.03 2kcv h GLU 31 Cb 0.07 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 2kcv h GLU 31 CO -0.02 0.99 -0.01 -0.07 -0.73 0.00 0.00 179.01 179.17 2kcv h LEU 32 N 0.30 -0.07 0.27 1.64 3.38 -0.83 -2.99 115.31 117.01 2kcv h LEU 32 Ca -0.03 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2kcv h LEU 32 Cb 1.30 0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.11 2kcv h LEU 32 CO 0.13 -0.02 -0.13 0.58 0.09 0.00 0.00 178.44 179.09 2kcv h VAL 33 N 0.02 0.77 -0.84 1.22 2.07 -1.31 0.25 116.25 118.43 2kcv h VAL 33 Ca 0.05 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.35 2kcv h VAL 33 Cb 0.07 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 2kcv h VAL 33 CO -0.10 0.06 0.54 1.05 0.02 0.00 0.00 177.57 179.14 2kcv h GLU 34 N -0.49 1.03 0.12 1.57 4.11 -1.48 -1.86 114.58 117.58 2kcv h GLU 34 Ca -0.04 -0.06 -0.30 0.00 0.07 0.00 0.00 59.36 59.03 2kcv h GLU 34 Cb 0.37 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2kcv h GLU 34 CO 0.06 0.68 -1.48 1.79 0.07 0.00 0.00 179.01 180.14 2kcv h THR 35 N 1.06 1.21 -2.21 -1.06 1.35 -1.56 -3.43 112.91 108.28 2kcv h THR 35 Ca 0.33 -2.84 -0.50 0.00 -0.55 0.00 0.00 66.41 62.85 2kcv h THR 35 Cb -0.01 2.79 -0.35 0.00 -1.73 0.00 0.00 68.15 68.85 2kcv h THR 35 CO -0.11 0.83 -0.83 -1.81 -0.25 0.00 0.00 175.52 173.35 2kcv s ASP 36 N -7.00 1.58 0.26 5.36 1.01 0.07 -4.97 116.67 112.98 2kcv s ASP 36 Ca -0.08 -2.32 0.23 0.00 0.71 0.00 0.00 52.55 51.09 2kcv s ASP 36 Cb 0.07 0.02 1.00 0.00 1.01 0.00 0.00 42.92 45.03 2kcv s ASP 36 CO 0.86 -0.22 1.69 -0.81 0.21 0.00 0.00 175.17 176.90 2kcv n PRO 37 N 3.56 0.18 -0.30 8.23 -0.04 -0.72 -2.84 135.00 143.08 2kcv n PRO 37 Ca 0.19 0.46 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 2kcv n PRO 37 Cb 0.45 -1.88 0.11 0.00 -0.04 0.00 0.00 33.50 32.14 2kcv n PRO 37 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 2kcv n ASP 38 N -2.23 2.64 -4.11 3.54 8.00 -1.26 -4.60 116.55 118.53 2kcv n ASP 38 Ca 0.01 -2.33 -0.37 0.00 0.71 0.00 0.00 54.79 52.81 2kcv n ASP 38 Cb 0.19 -0.57 -0.10 0.00 -0.02 0.00 0.00 41.12 40.62 2kcv n ASP 38 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 2kcv s TYR 39 N -1.45 3.47 0.26 1.24 6.14 -1.13 -4.93 117.35 120.95 2kcv s TYR 39 Ca 0.17 -2.58 0.03 0.00 0.64 0.00 0.00 57.07 55.33 2kcv s TYR 39 Cb 0.13 -3.23 0.32 0.00 0.42 0.00 0.00 41.96 39.61 2kcv s TYR 39 CO 0.05 -0.89 1.63 0.28 0.64 0.00 0.00 175.55 177.26 2kcv h VAL 40 N 5.64 1.32 0.00 3.14 2.07 -1.90 -3.01 116.25 123.51 2kcv h VAL 40 Ca -0.06 -1.61 -0.01 0.00 0.82 0.00 0.00 66.70 65.85 2kcv h VAL 40 Cb 0.99 1.67 -0.00 0.00 -1.52 0.00 0.00 31.29 32.43 2kcv h VAL 40 CO 0.72 0.49 -0.03 1.23 0.02 0.00 0.00 177.57 180.00 2kcv h GLY 41 N 1.18 0.00 0.77 2.17 0.00 -1.98 -2.66 103.07 102.55 2kcv h GLY 41 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.33 2kcv h GLY 41 CO 0.07 0.00 -0.43 -0.84 0.00 0.00 0.00 176.54 175.35 2kcv h THR 42 N 0.00 0.14 -0.95 4.70 2.02 -1.92 -3.24 112.91 113.65 2kcv h THR 42 Ca -0.00 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.25 2kcv h THR 42 Cb 0.06 0.14 -0.07 0.00 -1.74 0.00 0.00 68.15 66.54 2kcv h THR 42 CO 0.00 0.00 0.60 1.88 0.37 0.00 0.00 175.52 178.37 2kcv h TYR 43 N -1.01 1.11 0.48 3.16 0.05 -1.63 0.14 116.97 119.27 2kcv h TYR 43 Ca -0.08 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.72 2kcv h TYR 43 Cb 0.83 -0.36 -0.02 0.00 1.01 0.00 0.00 36.73 38.19 2kcv h TYR 43 CO -0.13 0.54 -0.50 -0.92 -1.05 0.00 0.00 178.16 176.10 2kcv h TYR 44 N 1.06 -1.38 0.00 4.88 3.20 -1.66 -0.63 116.97 122.45 2kcv h TYR 44 Ca 0.42 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.20 2kcv h TYR 44 Cb 0.23 0.54 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 2kcv h TYR 44 CO -0.01 -0.65 -0.50 0.45 -1.64 0.00 0.00 178.16 175.81 2kcv h HIS 45 N -0.97 0.00 -0.22 -3.82 3.86 -1.35 -1.06 115.15 111.59 2kcv h HIS 45 Ca -0.06 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 58.98 2kcv h HIS 45 Cb 0.85 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.32 2kcv h HIS 45 CO -0.26 0.50 -0.54 1.25 0.86 0.00 0.00 177.93 179.74 2kcv h LEU 46 N 0.00 0.86 -0.46 2.43 5.85 -0.78 -2.48 115.31 120.74 2kcv h LEU 46 Ca -0.00 -0.56 -0.17 0.00 0.84 0.00 0.00 57.88 57.98 2kcv h LEU 46 Cb 0.92 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.70 2kcv h LEU 46 CO 0.06 1.27 -0.61 1.23 -0.34 0.00 0.00 178.44 180.05 2kcv h GLY 47 N 0.49 0.59 1.23 3.75 0.00 -0.88 -1.63 103.07 106.63 2kcv h GLY 47 Ca -0.00 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.57 2kcv h GLY 47 CO 0.12 0.66 0.34 0.50 0.00 0.00 0.00 176.54 178.16 2kcv h LYS 48 N 0.40 0.99 -0.29 4.80 1.79 -1.22 -1.22 116.57 121.82 2kcv h LYS 48 Ca -0.01 -0.13 -0.14 0.00 -2.18 0.00 0.00 60.65 58.19 2kcv h LYS 48 Cb 1.17 -0.19 -0.01 0.00 -1.58 0.00 0.00 32.23 31.63 2kcv h LYS 48 CO 0.11 0.76 -0.40 1.25 -1.08 0.00 0.00 179.45 180.10 2kcv h LEU 49 N 0.99 0.73 -0.55 2.94 5.85 -1.27 -2.78 115.31 121.23 2kcv h LEU 49 Ca 0.24 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.63 2kcv h LEU 49 Cb 0.10 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2kcv h LEU 49 CO -0.03 1.05 0.34 1.88 -0.34 0.00 0.00 178.44 181.34 2kcv h TYR 50 N 0.56 0.70 -0.90 1.25 0.05 -0.81 -1.46 116.97 116.36 2kcv h TYR 50 Ca 0.05 0.01 0.12 0.00 0.05 0.00 0.00 58.73 58.95 2kcv h TYR 50 Cb 0.94 -0.23 -0.08 0.00 1.01 0.00 0.00 36.73 38.36 2kcv h TYR 50 CO 0.05 0.46 0.53 0.93 -1.05 0.00 0.00 178.16 179.08 2kcv h GLU 51 N 0.74 0.82 -0.32 4.88 5.08 -1.13 0.95 114.58 125.60 2kcv h GLU 51 Ca 0.20 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.49 2kcv h GLU 51 Cb -0.05 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 2kcv h GLU 51 CO -0.04 0.54 0.12 0.00 -1.00 0.00 0.00 179.01 178.63 2kcv h ARG 52 N 0.84 0.48 -0.34 2.33 3.08 -1.20 -3.16 114.38 116.42 2kcv h ARG 52 Ca 0.45 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.41 2kcv h ARG 52 Cb 0.47 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.44 2kcv h ARG 52 CO -0.28 0.50 0.00 1.28 -1.07 0.00 0.00 179.97 180.40 2kcv n LEU 53 N -4.71 0.51 -1.19 3.04 4.77 -0.58 -4.83 117.00 114.00 2kcv n LEU 53 Ca -0.02 -0.25 -0.16 0.00 -0.03 0.00 0.00 56.01 55.55 2kcv n LEU 53 Cb 0.14 -0.18 -0.07 0.00 -2.33 0.00 0.00 43.42 40.99 2kcv n LEU 53 CO 0.36 0.12 -0.15 -0.67 -1.33 0.00 0.00 177.39 175.72 2kcv n ASP 54 N -0.27 -5.26 -2.46 -1.43 2.03 -1.04 -4.88 116.55 103.25 2kcv n ASP 54 Ca 0.01 0.39 -0.35 0.00 0.52 0.00 0.00 54.79 55.35 2kcv n ASP 54 Cb 0.11 -4.13 0.06 0.00 -0.72 0.00 0.00 41.12 36.45 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 -2.04 2.78 0.20 -0.67 5.12 0.25 -4.74 116.66 117.56 2kcv n ARG 55 Ca -0.16 -3.44 0.03 0.00 -1.93 0.00 0.00 57.85 52.36 2kcv n ARG 55 Cb 0.58 -2.28 0.40 0.00 -1.16 0.00 0.00 32.46 30.00 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 1.37 1.22 -0.54 0.55 2.02 -1.83 -0.81 112.91 114.89 2kcv h THR 56 Ca 0.58 -1.06 -0.07 0.00 0.77 0.00 0.00 66.41 66.63 2kcv h THR 56 Cb 0.66 1.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 2kcv h THR 56 CO 1.49 0.30 0.08 -0.78 0.37 0.00 0.00 175.52 176.98 2kcv h ASP 57 N 0.01 0.86 -0.28 4.18 3.58 -1.92 -2.23 116.42 120.62 2kcv h ASP 57 Ca -0.00 -0.26 -0.04 0.00 0.42 0.00 0.00 57.03 57.14 2kcv h ASP 57 Cb 0.55 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.35 2kcv h ASP 57 CO 0.04 0.90 0.05 0.44 -2.88 0.00 0.00 179.24 177.80 2kcv h ASP 58 N 0.78 0.51 -0.49 2.28 5.19 -1.64 -2.63 116.42 120.42 2kcv h ASP 58 Ca 0.16 -0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.48 2kcv h ASP 58 Cb 0.42 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.77 2kcv h ASP 58 CO 0.01 0.54 0.25 0.00 -3.12 0.00 0.00 179.24 176.93 2kcv h ALA 59 N 1.53 0.62 -0.81 3.45 0.00 -0.92 -0.91 119.26 122.23 2kcv h ALA 59 Ca 0.12 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.02 2kcv h ALA 59 Cb 0.26 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 2kcv h ALA 59 CO 0.00 0.16 0.46 0.82 0.00 0.00 0.00 179.25 180.70 2kcv h ILE 60 N 0.64 0.91 -0.06 0.00 1.08 -1.04 -0.42 117.51 118.62 2kcv h ILE 60 Ca 0.17 -0.27 -0.18 0.00 -0.39 0.00 0.00 64.86 64.19 2kcv h ILE 60 Cb 0.08 0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 33.88 2kcv h ILE 60 CO -0.03 0.14 -0.72 -0.78 -0.69 0.00 0.00 178.15 176.07 2kcv h ASP 61 N 0.78 0.40 -0.20 1.72 1.82 -1.30 -1.68 116.42 117.96 2kcv h ASP 61 Ca 0.39 -0.26 -0.09 0.00 -0.39 0.00 0.00 57.03 56.68 2kcv h ASP 61 Cb 0.35 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 40.24 2kcv h ASP 61 CO -0.24 0.99 -0.21 0.74 -1.61 0.00 0.00 179.24 178.91 2kcv h THR 62 N 0.22 1.33 -0.77 2.25 2.02 -0.45 -1.35 112.91 116.16 2kcv h THR 62 Ca -0.03 -1.38 -0.04 0.00 0.77 0.00 0.00 66.41 65.74 2kcv h THR 62 Cb 1.29 1.78 -0.04 0.00 -1.74 0.00 0.00 68.15 69.44 2kcv h THR 62 CO 0.12 0.42 0.33 1.88 0.37 0.00 0.00 175.52 178.64 2kcv h TYR 63 N 0.16 1.14 -0.32 3.16 0.05 -1.15 -0.99 116.97 119.03 2kcv h TYR 63 Ca 0.03 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.74 2kcv h TYR 63 Cb 0.76 -0.35 -0.02 0.00 1.01 0.00 0.00 36.73 38.13 2kcv h TYR 63 CO 0.08 0.85 0.20 0.00 -1.05 0.00 0.00 178.16 178.24 2kcv h ALA 64 N 1.25 0.40 -0.68 3.88 0.00 -1.16 0.16 119.26 123.12 2kcv h ALA 64 Ca 0.26 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.18 2kcv h ALA 64 Cb 0.17 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2kcv h ALA 64 CO -0.03 -0.11 0.41 1.96 0.00 0.00 0.00 179.25 181.48 2kcv h GLN 65 N 0.42 0.75 -0.93 0.00 1.08 -1.15 -2.86 115.11 112.42 2kcv h GLN 65 Ca 0.12 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.26 2kcv h GLN 65 Cb -0.02 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.20 2kcv h GLN 65 CO -0.02 0.50 0.55 0.78 -0.95 0.00 0.00 178.83 179.68 2kcv h GLY 66 N 0.77 1.35 0.73 3.46 0.00 -0.55 -3.02 103.07 105.81 2kcv h GLY 66 Ca 0.29 -0.58 0.06 0.00 0.00 0.00 0.00 47.33 47.10 2kcv h GLY 66 CO -0.14 0.56 0.53 -2.22 0.00 0.00 0.00 176.54 175.27 2kcv h ILE 67 N 1.28 1.04 -0.22 2.60 2.04 -0.47 0.43 117.51 124.22 2kcv h ILE 67 Ca 0.33 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 2kcv h ILE 67 Cb -0.04 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.02 2kcv h ILE 67 CO -0.06 0.18 0.09 -0.33 0.00 0.00 0.00 178.15 178.03 2kcv h GLU 68 N 0.97 0.32 0.00 2.37 5.08 -1.51 -2.78 114.58 119.02 2kcv h GLU 68 Ca 0.37 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 2kcv h GLU 68 Cb 0.16 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2kcv h GLU 68 CO -0.17 0.36 -0.17 -0.39 -1.00 0.00 0.00 179.01 177.65 2kcv h VAL 69 N 0.20 0.00 -0.12 3.13 -1.51 -1.41 -3.29 116.25 113.26 2kcv h VAL 69 Ca 0.07 -0.89 -0.08 0.00 -1.23 0.00 0.00 66.70 64.57 2kcv h VAL 69 Cb 0.16 1.80 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 2kcv h VAL 69 CO -0.01 0.00 -0.25 0.00 -1.23 0.00 0.00 177.57 176.08 2kcv h ALA 70 N 2.11 0.19 0.00 5.19 0.00 0.05 0.64 119.26 127.43 2kcv h ALA 70 Ca 0.00 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.42 2kcv h ALA 70 Cb 0.94 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2kcv h ALA 70 CO 0.00 0.17 -0.47 0.07 0.00 0.00 0.00 179.25 179.02 2kcv h ARG 71 N -0.04 0.00 0.00 0.00 0.11 -1.62 -2.35 114.38 110.47 2kcv h ARG 71 Ca 0.00 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 2kcv h ARG 71 Cb 0.84 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.91 2kcv h ARG 71 CO 0.06 0.47 -0.78 0.93 0.10 0.00 0.00 179.97 180.75 2kcv h GLU 72 N 0.00 0.00 0.00 0.08 5.08 -1.62 -3.44 114.58 114.68 2kcv h GLU 72 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.15 2kcv h GLU 72 Cb 0.93 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 2kcv h GLU 72 CO 0.06 0.43 -1.14 0.93 -1.00 0.00 0.00 179.01 178.29 2kcv h GLU 73 N -1.00 0.00 0.00 2.33 4.39 -1.01 -3.48 114.58 115.81 2kcv h GLU 73 Ca -0.14 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.56 2kcv h GLU 73 Cb 0.82 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 2kcv h GLU 73 CO -0.09 0.94 0.00 0.41 -1.16 0.00 0.00 179.01 179.11 2kcv n GLY 74 N 1.46 -0.39 4.03 -3.84 0.00 -0.89 -5.03 105.19 100.54 2kcv n GLY 74 Ca -0.29 -1.71 -0.19 0.00 0.00 0.00 0.00 46.02 43.83 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 0.12 2.19 0.55 2.61 -4.23 -1.23 -4.69 115.64 110.95 2kcv s THR 75 Ca 0.00 -1.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.73 2kcv s THR 75 Cb 0.00 -2.19 0.32 0.00 1.34 0.00 0.00 72.50 71.97 2kcv s THR 75 CO 0.00 0.00 2.15 -0.61 -0.54 0.00 0.00 174.62 175.62 2kcv h GLN 76 N 0.20 0.00 -0.51 3.99 5.75 -1.92 -2.26 115.11 120.37 2kcv h GLN 76 Ca -0.30 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.19 2kcv h GLN 76 Cb 1.29 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.81 2kcv h GLN 76 CO 0.41 0.00 0.31 1.57 -2.65 0.00 0.00 178.83 178.47 2kcv h LYS 77 N 0.00 0.69 -0.42 1.69 2.10 -1.94 -1.65 116.57 117.03 2kcv h LYS 77 Ca 0.05 -0.06 -0.14 0.00 -2.00 0.00 0.00 60.65 58.49 2kcv h LYS 77 Cb 0.21 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.38 2kcv h LYS 77 CO -0.00 0.50 -0.29 -0.44 -2.00 0.00 0.00 179.45 177.22 2kcv h ASP 78 N 0.68 0.96 -0.45 7.07 3.32 -1.73 0.12 116.42 126.39 2kcv h ASP 78 Ca 0.18 -0.39 0.03 0.00 0.02 0.00 0.00 57.03 56.87 2kcv h ASP 78 Cb -0.01 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.23 2kcv h ASP 78 CO -0.03 1.18 0.23 0.25 -1.72 0.00 0.00 179.24 179.14 2kcv h LEU 79 N 0.78 0.34 -0.55 1.55 5.85 -1.38 -2.00 115.31 119.91 2kcv h LEU 79 Ca 0.09 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.67 2kcv h LEU 79 Cb 0.86 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 2kcv h LEU 79 CO 0.08 0.24 -0.50 -1.28 -0.34 0.00 0.00 178.44 176.64 2kcv h SER 80 N 0.46 0.64 -0.28 1.25 0.87 -0.66 -2.60 113.55 113.23 2kcv h SER 80 Ca 0.19 -0.32 -0.12 0.00 -1.23 0.00 0.00 61.79 60.31 2kcv h SER 80 Cb 0.09 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2kcv h SER 80 CO -0.13 1.03 -0.30 -0.33 -0.53 0.00 0.00 176.83 176.57 2kcv h GLU 81 N 0.46 0.70 -0.11 2.24 5.08 -0.60 -1.01 114.58 121.34 2kcv h GLU 81 Ca 0.02 -0.38 -0.20 0.00 -1.00 0.00 0.00 59.36 57.80 2kcv h GLU 81 Cb 1.03 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2kcv h GLU 81 CO 0.10 1.00 -0.75 -0.07 -1.00 0.00 0.00 179.01 178.28 2kcv h LEU 82 N 0.44 0.68 -0.51 1.33 3.38 -1.41 -0.31 115.31 118.91 2kcv h LEU 82 Ca 0.04 -0.45 -0.08 0.00 0.09 0.00 0.00 57.88 57.49 2kcv h LEU 82 Cb 0.88 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 2kcv h LEU 82 CO 0.07 1.21 0.02 1.56 0.09 0.00 0.00 178.44 181.39 2kcv h GLN 83 N 0.39 0.89 -0.37 1.13 4.20 -1.48 -2.70 115.11 117.17 2kcv h GLN 83 Ca -0.04 -0.27 -0.07 0.00 0.06 0.00 0.00 58.65 58.32 2kcv h GLN 83 Cb 1.35 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.03 2kcv h GLN 83 CO 0.14 0.91 -0.06 0.22 -0.67 0.00 0.00 178.83 179.37 2kcv h ASP 84 N 0.76 0.69 -0.63 1.46 3.58 -1.11 -2.74 116.42 118.42 2kcv h ASP 84 Ca 0.15 -0.34 -0.09 0.00 0.42 0.00 0.00 57.03 57.16 2kcv h ASP 84 Cb 0.50 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.34 2kcv h ASP 84 CO 0.02 0.87 0.04 0.00 -2.88 0.00 0.00 179.24 177.30 2kcv h ALA 85 N 0.84 0.85 -0.20 -0.78 0.00 -1.04 -2.71 119.26 116.22 2kcv h ALA 85 Ca 0.10 -0.30 -0.12 0.00 0.00 0.00 0.00 54.91 54.59 2kcv h ALA 85 Cb 0.55 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kcv h ALA 85 CO 0.03 0.67 -0.36 1.57 0.00 0.00 0.00 179.25 181.15 2kcv h LYS 86 N 1.00 0.59 -0.26 0.00 2.10 -1.52 -2.78 116.57 115.70 2kcv h LYS 86 Ca 0.18 -0.37 -0.09 0.00 -2.00 0.00 0.00 60.65 58.37 2kcv h LYS 86 Cb 0.52 0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.88 2kcv h LYS 86 CO 0.02 0.99 -0.21 1.37 -2.00 0.00 0.00 179.45 179.62 2kcv h LEU 87 N 0.26 0.46 -0.57 7.07 8.10 -1.37 0.72 115.31 129.98 2kcv h LEU 87 Ca 0.01 -0.14 -0.15 0.00 0.11 0.00 0.00 57.88 57.70 2kcv h LEU 87 Cb 0.96 -0.13 -0.01 0.00 -0.44 0.00 0.00 40.66 41.04 2kcv h LEU 87 CO 0.08 0.69 -0.58 0.07 -4.11 0.00 0.00 178.44 174.59 2kcv h LYS 88 N 0.42 0.42 0.00 0.17 2.10 -1.60 -3.02 116.57 115.06 2kcv h LYS 88 Ca 0.07 -0.28 -0.05 0.00 -2.00 0.00 0.00 60.65 58.39 2kcv h LYS 88 Cb 0.61 0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.97 2kcv h LYS 88 CO 0.04 0.88 -0.23 0.00 -2.00 0.00 0.00 179.45 178.14 2kcv h ALA 89 N 1.06 1.16 0.00 0.07 0.00 -0.98 -1.68 119.26 118.89 2kcv h ALA 89 Ca 0.00 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2kcv h ALA 89 Cb 1.10 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2kcv h ALA 89 CO 0.10 0.29 -0.29 0.93 0.00 0.00 0.00 179.25 180.28 2kcv h GLU 90 N 0.00 0.00 0.00 0.00 5.08 -0.78 -2.13 114.58 116.75 2kcv h GLU 90 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2kcv h GLU 90 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2kcv h GLU 90 CO 0.03 0.29 -0.25 0.78 -1.00 0.00 0.00 179.01 178.85 2kcv h GLY 91 N 0.87 0.00 1.83 -3.84 0.00 -1.26 -1.62 103.07 99.06 2kcv h GLY 91 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.13 2kcv h GLY 91 CO 0.04 0.00 -0.88 1.41 0.00 0.00 0.00 176.54 177.11 2kcv h LEU 92 N 0.00 0.20 0.18 3.11 3.38 -1.28 -3.38 115.31 117.52 2kcv h LEU 92 Ca -0.00 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 2kcv h LEU 92 Cb 0.58 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2kcv h LEU 92 CO 0.03 0.98 -0.09 -0.33 0.09 0.00 0.00 178.44 179.12 2kcv h GLU 93 N 0.08 -0.23 -1.28 1.13 4.39 -0.99 -3.48 114.58 114.20 2kcv h GLU 93 Ca -0.04 0.02 0.14 0.00 0.34 0.00 0.00 59.36 59.81 2kcv h GLU 93 Cb 1.51 0.05 -0.22 0.00 -0.10 0.00 0.00 28.75 30.00 2kcv h GLU 93 CO 0.13 -0.16 0.02 -1.58 -1.16 0.00 0.00 179.01 176.26 2kcv s HIS 94 N -2.62 -1.03 -0.11 4.33 2.46 -0.65 -5.11 115.29 112.56 2kcv s HIS 94 Ca -0.04 1.59 -0.04 0.00 0.47 0.00 0.00 55.06 57.05 2kcv s HIS 94 Cb 0.00 0.55 0.05 0.00 -0.13 0.00 0.00 32.58 33.05 2kcv s HIS 94 CO 0.11 -0.53 0.09 -1.58 -2.47 0.00 0.00 174.74 170.36 2kcv s HIS 95 N 2.72 0.08 0.00 3.88 5.04 -1.26 -4.70 115.29 121.04 2kcv s HIS 95 Ca -0.00 0.05 0.00 0.00 -1.54 0.00 0.00 55.06 53.56 2kcv s HIS 95 Cb -0.10 -0.54 0.00 0.00 0.04 0.00 0.00 32.58 31.98 2kcv s HIS 95 CO -0.18 -0.36 0.00 0.72 -2.34 0.00 0.00 174.74 172.59 2kcv n HIS 96 N 5.29 0.00 -3.12 3.88 8.25 -1.26 -5.00 115.22 123.26 2kcv n HIS 96 Ca -0.05 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.44 2kcv n HIS 96 Cb 0.50 -0.29 -0.00 0.00 1.12 0.00 0.00 29.99 31.32 2kcv n HIS 96 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kcv s HIS 97 N -0.91 -1.44 -0.01 4.41 2.46 -1.26 -5.06 115.29 113.47 2kcv s HIS 97 Ca 0.00 0.53 -0.24 0.00 0.47 0.00 0.00 55.06 55.82 2kcv s HIS 97 Cb 0.00 0.26 -0.17 0.00 -0.13 0.00 0.00 32.58 32.54 2kcv s HIS 97 CO 0.00 -0.91 1.14 1.25 -2.47 0.00 0.00 174.74 173.76 2kcv h HIS 98 N 7.18 -0.25 0.00 3.88 6.17 -2.00 -3.57 115.15 126.55 2kcv h HIS 98 Ca -0.00 -0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.07 2kcv h HIS 98 Cb 1.19 0.08 0.00 0.00 2.52 0.00 0.00 27.41 31.20 2kcv h HIS 98 CO 0.12 0.13 0.00 1.58 0.71 0.00 0.00 177.93 180.47