#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 6.71 -0.06 1.62 -4.77 -1.26 -4.90 116.67 114.01 2kcv s ASP 2 Ca 0.00 2.31 0.05 0.00 -3.30 0.00 0.00 52.55 51.60 2kcv s ASP 2 Cb 0.00 -2.56 0.24 0.00 -1.09 0.00 0.00 42.92 39.51 2kcv s ASP 2 CO 0.00 -0.82 0.92 -0.81 0.70 0.00 0.00 175.17 175.16 2kcv n PRO 3 N 5.67 2.05 0.11 2.11 -0.04 -1.26 -3.39 135.00 140.25 2kcv n PRO 3 Ca 0.15 -0.91 -0.20 0.00 -0.04 0.00 0.00 63.50 62.50 2kcv n PRO 3 Cb 0.42 -1.63 -0.13 0.00 -0.04 0.00 0.00 33.50 32.11 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 1.20 0.44 -6.58 0.54 3.07 -1.96 -3.40 114.58 107.88 2kcv h GLU 4 Ca 0.00 -0.68 -0.53 0.00 -0.50 0.00 0.00 59.36 57.65 2kcv h GLU 4 Cb 0.83 0.24 0.04 0.00 -0.84 0.00 0.00 28.75 29.02 2kcv h GLU 4 CO 0.12 1.31 0.91 0.34 -1.40 0.00 0.00 179.01 180.29 2kcv s ASP 5 N -7.34 6.58 0.17 1.42 2.15 -1.22 -4.94 116.67 113.48 2kcv s ASP 5 Ca -0.07 2.61 -0.16 0.00 0.43 0.00 0.00 52.55 55.36 2kcv s ASP 5 Cb 0.06 -2.59 0.11 0.00 -0.30 0.00 0.00 42.92 40.20 2kcv s ASP 5 CO 0.91 -0.84 1.68 -0.65 -0.17 0.00 0.00 175.17 176.10 2kcv h PRO 6 N 7.06 0.04 -0.10 4.34 0.11 -1.92 -1.81 132.00 139.72 2kcv h PRO 6 Ca -0.43 -0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.59 2kcv h PRO 6 Cb 1.20 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2kcv h PRO 6 CO 0.92 0.03 -0.34 0.35 -0.21 0.00 0.00 178.00 178.75 2kcv h PHE 7 N 0.04 0.23 0.07 0.65 3.57 -1.98 -2.47 116.94 117.06 2kcv h PHE 7 Ca 0.20 -0.05 -0.27 0.00 3.53 0.00 0.00 57.97 61.37 2kcv h PHE 7 Cb 0.30 -0.05 0.02 0.00 2.79 0.00 0.00 35.95 39.00 2kcv h PHE 7 CO -0.32 0.52 -1.13 1.15 -2.23 0.00 0.00 178.31 176.30 2kcv h THR 8 N 0.17 1.33 0.00 4.41 2.02 -1.70 0.19 112.91 119.34 2kcv h THR 8 Ca 0.02 -2.48 -0.11 0.00 0.77 0.00 0.00 66.41 64.61 2kcv h THR 8 Cb 0.69 2.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.67 2kcv h THR 8 CO 0.05 0.75 -0.53 0.08 0.37 0.00 0.00 175.52 176.24 2kcv h ARG 9 N 0.27 0.00 0.00 6.66 0.11 -1.39 0.18 114.38 120.20 2kcv h ARG 9 Ca -0.14 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 59.94 2kcv h ARG 9 Cb 1.80 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.88 2kcv h ARG 9 CO 0.21 0.53 -0.00 -0.92 0.10 0.00 0.00 179.97 179.89 2kcv h TYR 10 N 0.00 -0.00 -0.18 4.08 3.20 -1.40 -1.90 116.97 120.77 2kcv h TYR 10 Ca -0.01 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.77 2kcv h TYR 10 Cb 1.11 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 2kcv h TYR 10 CO 0.00 0.29 -0.28 0.00 -1.64 0.00 0.00 178.16 176.53 2kcv h ALA 11 N 0.71 1.18 -0.58 1.82 0.00 -0.88 -2.01 119.26 119.49 2kcv h ALA 11 Ca -0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 54.91 54.51 2kcv h ALA 11 Cb 0.29 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2kcv h ALA 11 CO 0.00 0.53 0.14 1.25 0.00 0.00 0.00 179.25 181.17 2kcv h LEU 12 N 0.31 0.88 -0.71 0.00 5.85 -0.97 -0.66 115.31 120.01 2kcv h LEU 12 Ca 0.04 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 2kcv h LEU 12 Cb 0.66 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 2kcv h LEU 12 CO 0.05 0.88 0.40 0.00 -0.34 0.00 0.00 178.44 179.44 2kcv h ALA 13 N 1.03 0.91 -0.07 1.25 0.00 -0.99 -1.72 119.26 119.67 2kcv h ALA 13 Ca 0.18 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 2kcv h ALA 13 Cb 0.35 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2kcv h ALA 13 CO 0.00 0.42 -0.23 1.96 0.00 0.00 0.00 179.25 181.40 2kcv h GLN 14 N 0.98 0.12 -0.33 0.00 4.20 -1.06 -1.52 115.11 117.50 2kcv h GLN 14 Ca 0.25 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.90 2kcv h GLN 14 Cb 0.02 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2kcv h GLN 14 CO -0.04 0.35 0.09 0.93 -0.67 0.00 0.00 178.83 179.48 2kcv h GLU 15 N 0.11 0.52 -0.64 1.46 5.08 -0.56 -2.80 114.58 117.76 2kcv h GLU 15 Ca 0.02 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 2kcv h GLU 15 Cb 0.47 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2kcv h GLU 15 CO 0.03 0.58 0.29 0.45 -1.00 0.00 0.00 179.01 179.36 2kcv h HIS 16 N 0.38 0.91 -0.23 4.33 3.86 -0.76 0.30 115.15 123.94 2kcv h HIS 16 Ca 0.10 -0.04 0.04 0.00 -1.16 0.00 0.00 60.37 59.32 2kcv h HIS 16 Cb 0.28 -0.29 -0.04 0.00 1.06 0.00 0.00 27.41 28.43 2kcv h HIS 16 CO 0.01 0.68 -0.03 -0.07 0.86 0.00 0.00 177.93 179.39 2kcv h LEU 17 N 0.91 -0.15 -0.91 2.43 3.38 -1.24 0.17 115.31 119.91 2kcv h LEU 17 Ca 0.22 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.14 2kcv h LEU 17 Cb 0.12 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2kcv h LEU 17 CO -0.03 -0.04 -0.44 0.11 0.09 0.00 0.00 178.44 178.13 2kcv h LYS 18 N 0.04 0.23 -0.93 1.13 1.57 -1.17 -3.12 116.57 114.32 2kcv h LYS 18 Ca 0.11 -0.11 -0.55 0.00 -1.87 0.00 0.00 60.65 58.22 2kcv h LYS 18 Cb 0.15 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.17 2kcv h LYS 18 CO -0.21 0.63 0.60 0.72 -0.57 0.00 0.00 179.45 180.62 2kcv n HIS 19 N -4.00 2.93 0.00 -1.35 8.25 0.05 -4.94 115.22 116.16 2kcv n HIS 19 Ca -0.02 -2.30 0.00 0.00 -0.26 0.00 0.00 57.72 55.14 2kcv n HIS 19 Cb 0.50 -1.07 0.00 0.00 1.12 0.00 0.00 29.99 30.53 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 -1.04 0.00 -3.46 0.41 2.03 -0.84 -4.87 116.55 108.78 2kcv n ASP 20 Ca 0.58 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.49 2kcv n ASP 20 Cb 1.19 -0.07 -0.02 0.00 -0.72 0.00 0.00 41.12 41.50 2kcv n ASP 20 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2kcv n ASN 21 N 0.00 7.52 0.18 1.67 5.03 0.54 -4.64 115.26 125.56 2kcv n ASN 21 Ca 0.00 -2.78 0.04 0.00 0.87 0.00 0.00 54.58 52.70 2kcv n ASN 21 Cb 0.00 -1.53 0.43 0.00 -1.02 0.00 0.00 39.78 37.67 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 5.13 1.56 -0.56 5.41 0.00 -1.85 -1.29 119.26 127.67 2kcv h ALA 22 Ca 0.75 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.47 2kcv h ALA 22 Cb 0.37 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2kcv h ALA 22 CO 1.73 0.32 0.33 0.66 0.00 0.00 0.00 179.25 182.29 2kcv h SER 23 N 0.07 0.52 0.54 0.00 4.64 -1.92 0.17 113.55 117.57 2kcv h SER 23 Ca 0.01 0.01 -0.19 0.00 -0.47 0.00 0.00 61.79 61.15 2kcv h SER 23 Cb 0.42 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.40 2kcv h SER 23 CO 0.03 0.36 -0.84 0.03 -0.87 0.00 0.00 176.83 175.54 2kcv h ARG 24 N 0.64 0.21 -0.65 4.77 2.47 -1.79 -2.27 114.38 117.76 2kcv h ARG 24 Ca 0.23 -0.22 -0.07 0.00 -1.26 0.00 0.00 59.98 58.66 2kcv h ARG 24 Cb 0.06 0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.41 2kcv h ARG 24 CO -0.12 0.93 0.12 0.00 0.56 0.00 0.00 179.97 181.47 2kcv h ALA 25 N 0.99 0.86 -0.12 0.04 0.00 -1.17 -2.63 119.26 117.24 2kcv h ALA 25 Ca -0.04 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2kcv h ALA 25 Cb 1.45 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2kcv h ALA 25 CO 0.13 0.61 0.07 1.25 0.00 0.00 0.00 179.25 181.32 2kcv h LEU 26 N 0.99 0.14 -0.45 0.00 5.85 -0.83 -2.27 115.31 118.73 2kcv h LEU 26 Ca 0.20 -0.03 0.08 0.00 0.84 0.00 0.00 57.88 58.97 2kcv h LEU 26 Cb 0.41 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.34 2kcv h LEU 26 CO 0.01 0.13 0.03 0.00 -0.34 0.00 0.00 178.44 178.27 2kcv h ALA 27 N 1.02 0.45 -0.20 1.25 0.00 -1.33 -0.55 119.26 119.90 2kcv h ALA 27 Ca 0.04 0.12 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 2kcv h ALA 27 Cb 0.01 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2kcv h ALA 27 CO -0.01 -0.37 -0.42 -0.07 0.00 0.00 0.00 179.25 178.38 2kcv h LEU 28 N 0.14 0.50 -0.15 0.00 3.38 -1.25 -0.21 115.31 117.71 2kcv h LEU 28 Ca 0.23 -0.22 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2kcv h LEU 28 Cb 0.32 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.94 2kcv h LEU 28 CO -0.35 0.86 -0.42 -0.26 0.09 0.00 0.00 178.44 178.36 2kcv h PHE 29 N 0.38 0.72 -0.92 1.13 0.04 -1.11 -1.09 116.94 116.09 2kcv h PHE 29 Ca 0.03 -0.28 0.05 0.00 2.80 0.00 0.00 57.97 60.57 2kcv h PHE 29 Cb 0.90 -0.13 -0.06 0.00 2.20 0.00 0.00 35.95 38.87 2kcv h PHE 29 CO 0.03 1.03 0.60 0.93 -0.60 0.00 0.00 178.31 180.31 2kcv h GLU 30 N 0.19 1.07 -0.38 1.51 5.08 -1.03 -1.75 114.58 119.28 2kcv h GLU 30 Ca -0.01 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2kcv h GLU 30 Cb 1.03 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2kcv h GLU 30 CO 0.09 0.71 0.05 1.49 -1.00 0.00 0.00 179.01 180.35 2kcv h GLU 31 N 1.10 0.63 -0.42 2.33 4.81 -0.99 -2.84 114.58 119.21 2kcv h GLU 31 Ca 0.38 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.40 2kcv h GLU 31 Cb 0.12 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.40 2kcv h GLU 31 CO -0.13 0.70 0.09 -0.07 -0.73 0.00 0.00 179.01 178.87 2kcv h LEU 32 N 0.47 0.57 0.07 1.64 3.38 -0.65 -1.38 115.31 119.42 2kcv h LEU 32 Ca 0.11 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 2kcv h LEU 32 Cb 0.38 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2kcv h LEU 32 CO 0.01 0.58 -0.04 0.58 0.09 0.00 0.00 178.44 179.67 2kcv h VAL 33 N 0.61 1.13 -0.09 1.22 2.07 -1.24 0.35 116.25 120.30 2kcv h VAL 33 Ca 0.14 -0.76 -0.12 0.00 0.82 0.00 0.00 66.70 66.79 2kcv h VAL 33 Cb 0.25 1.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2kcv h VAL 33 CO -0.00 0.19 -0.47 1.05 0.02 0.00 0.00 177.57 178.36 2kcv h GLU 34 N -0.44 0.22 0.13 1.57 4.11 -1.36 -2.62 114.58 116.18 2kcv h GLU 34 Ca -0.01 -0.12 -0.36 0.00 0.07 0.00 0.00 59.36 58.94 2kcv h GLU 34 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 2kcv h GLU 34 CO 0.02 0.65 -1.94 1.79 0.07 0.00 0.00 179.01 179.60 2kcv h THR 35 N 0.18 0.67 -2.64 -1.06 1.35 -1.35 -3.43 112.91 106.63 2kcv h THR 35 Ca 0.01 -2.35 -0.60 0.00 -0.55 0.00 0.00 66.41 62.91 2kcv h THR 35 Cb 0.90 2.53 -0.40 0.00 -1.73 0.00 0.00 68.15 69.44 2kcv h THR 35 CO 0.07 0.88 -0.75 0.47 -0.25 0.00 0.00 175.52 175.94 2kcv n ASP 36 N -3.54 1.80 0.00 5.36 8.00 0.11 -4.97 116.55 123.32 2kcv n ASP 36 Ca -0.31 -2.94 0.08 0.00 0.71 0.00 0.00 54.79 52.33 2kcv n ASP 36 Cb 1.04 -0.67 0.42 0.00 -0.02 0.00 0.00 41.12 41.89 2kcv n ASP 36 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 2kcv n PRO 37 N 2.03 0.26 0.01 -0.24 -0.04 -0.99 -2.34 135.00 133.69 2kcv n PRO 37 Ca 0.25 0.12 0.01 0.00 -0.04 0.00 0.00 63.50 63.83 2kcv n PRO 37 Cb 0.41 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.27 2kcv n PRO 37 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2kcv n ASP 38 N -1.26 0.62 -4.56 3.54 5.75 -1.26 -4.87 116.55 114.51 2kcv n ASP 38 Ca 0.08 0.27 -0.39 0.00 -0.01 0.00 0.00 54.79 54.74 2kcv n ASP 38 Cb 0.12 0.54 -0.03 0.00 -1.03 0.00 0.00 41.12 40.73 2kcv n ASP 38 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2kcv s TYR 39 N -2.97 1.45 0.16 2.11 6.14 -0.99 -4.82 117.35 118.44 2kcv s TYR 39 Ca -0.04 0.99 -0.07 0.00 0.64 0.00 0.00 57.07 58.59 2kcv s TYR 39 Cb 0.09 -3.92 0.02 0.00 0.42 0.00 0.00 41.96 38.58 2kcv s TYR 39 CO 0.83 -2.68 1.46 0.28 0.64 0.00 0.00 175.55 176.07 2kcv h VAL 40 N 7.16 1.30 -0.07 3.14 2.07 -1.90 -3.22 116.25 124.73 2kcv h VAL 40 Ca -0.28 -1.79 -0.00 0.00 0.82 0.00 0.00 66.70 65.45 2kcv h VAL 40 Cb 1.21 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 32.70 2kcv h VAL 40 CO 1.14 0.57 0.04 1.23 0.02 0.00 0.00 177.57 180.57 2kcv h GLY 41 N 0.91 0.10 0.94 2.17 0.00 -1.99 -2.06 103.07 103.14 2kcv h GLY 41 Ca 0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 2kcv h GLY 41 CO 0.11 0.04 -0.19 -0.84 0.00 0.00 0.00 176.54 175.66 2kcv h THR 42 N 0.10 0.60 -0.73 4.70 2.02 -1.95 -3.02 112.91 114.62 2kcv h THR 42 Ca 0.03 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.26 2kcv h THR 42 Cb -0.00 0.60 -0.06 0.00 -1.74 0.00 0.00 68.15 66.95 2kcv h THR 42 CO -0.01 0.00 0.43 1.88 0.37 0.00 0.00 175.52 178.20 2kcv h TYR 43 N -0.50 0.79 0.43 3.16 0.05 -1.51 0.93 116.97 120.32 2kcv h TYR 43 Ca -0.04 0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.75 2kcv h TYR 43 Cb 0.41 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 2kcv h TYR 43 CO -0.08 0.39 -0.30 -0.92 -1.05 0.00 0.00 178.16 176.20 2kcv h TYR 44 N 0.79 -0.82 0.00 4.88 3.20 -1.61 -1.87 116.97 121.54 2kcv h TYR 44 Ca 0.32 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.16 2kcv h TYR 44 Cb 0.17 0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 2kcv h TYR 44 CO -0.06 -0.44 -0.15 0.45 -1.64 0.00 0.00 178.16 176.32 2kcv h HIS 45 N -0.70 0.00 -0.24 -3.82 3.86 -1.33 -0.29 115.15 112.63 2kcv h HIS 45 Ca -0.06 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 58.99 2kcv h HIS 45 Cb 0.57 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.04 2kcv h HIS 45 CO -0.07 0.15 -0.49 1.25 0.86 0.00 0.00 177.93 179.63 2kcv h LEU 46 N 0.00 0.85 -0.45 2.43 5.85 -0.87 -2.40 115.31 120.71 2kcv h LEU 46 Ca -0.00 -0.55 -0.16 0.00 0.84 0.00 0.00 57.88 58.02 2kcv h LEU 46 Cb 0.28 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.05 2kcv h LEU 46 CO 0.02 1.24 -0.41 1.23 -0.34 0.00 0.00 178.44 180.18 2kcv h GLY 47 N 0.50 0.92 1.00 3.75 0.00 -0.54 -1.49 103.07 107.21 2kcv h GLY 47 Ca 0.01 -0.95 0.01 0.00 0.00 0.00 0.00 47.33 46.40 2kcv h GLY 47 CO 0.11 0.85 0.62 0.50 0.00 0.00 0.00 176.54 178.62 2kcv h LYS 48 N 0.68 1.22 -0.55 4.80 1.79 -1.09 -1.68 116.57 121.73 2kcv h LYS 48 Ca 0.05 -0.07 -0.11 0.00 -2.18 0.00 0.00 60.65 58.34 2kcv h LYS 48 Cb 0.98 -0.28 -0.02 0.00 -1.58 0.00 0.00 32.23 31.34 2kcv h LYS 48 CO 0.09 0.81 -0.09 1.25 -1.08 0.00 0.00 179.45 180.43 2kcv h LEU 49 N 1.26 1.04 -0.45 2.94 5.85 -1.31 -2.62 115.31 122.03 2kcv h LEU 49 Ca 0.34 -0.34 0.06 0.00 0.84 0.00 0.00 57.88 58.78 2kcv h LEU 49 Cb -0.14 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.56 2kcv h LEU 49 CO -0.08 1.14 0.13 1.88 -0.34 0.00 0.00 178.44 181.17 2kcv h TYR 50 N 0.92 0.23 -0.84 1.25 0.05 -0.68 -1.88 116.97 116.02 2kcv h TYR 50 Ca 0.15 0.02 0.02 0.00 0.05 0.00 0.00 58.73 58.97 2kcv h TYR 50 Cb 0.66 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 38.32 2kcv h TYR 50 CO 0.05 0.07 0.56 0.93 -1.05 0.00 0.00 178.16 178.71 2kcv h GLU 51 N 0.29 1.07 -0.69 4.88 5.08 -1.11 0.20 114.58 124.31 2kcv h GLU 51 Ca 0.21 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 2kcv h GLU 51 Cb 0.23 -0.24 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 2kcv h GLU 51 CO -0.24 0.71 0.45 0.00 -1.00 0.00 0.00 179.01 178.93 2kcv h ARG 52 N 1.11 0.92 -0.18 2.33 3.08 -1.09 -2.75 114.38 117.80 2kcv h ARG 52 Ca 0.32 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.30 2kcv h ARG 52 Cb -0.08 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.77 2kcv h ARG 52 CO -0.08 0.62 0.00 1.28 -1.07 0.00 0.00 179.97 180.73 2kcv n LEU 53 N -4.59 0.41 -2.04 3.04 4.77 -0.40 -4.85 117.00 113.33 2kcv n LEU 53 Ca 0.06 -0.20 -0.20 0.00 -0.03 0.00 0.00 56.01 55.63 2kcv n LEU 53 Cb 0.03 -0.10 -0.04 0.00 -2.33 0.00 0.00 43.42 40.97 2kcv n LEU 53 CO 0.36 0.09 -0.23 0.47 -1.33 0.00 0.00 177.39 176.75 2kcv n ASP 54 N -0.30 -5.63 -2.32 -1.43 8.00 -0.97 -4.89 116.55 109.00 2kcv n ASP 54 Ca 0.02 0.22 -0.33 0.00 0.71 0.00 0.00 54.79 55.41 2kcv n ASP 54 Cb 0.08 -4.82 0.06 0.00 -0.02 0.00 0.00 41.12 36.42 2kcv n ASP 54 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2kcv n ARG 55 N -2.72 2.94 0.26 -1.24 5.12 0.59 -4.76 116.66 116.84 2kcv n ARG 55 Ca -0.23 -3.56 0.09 0.00 -1.93 0.00 0.00 57.85 52.23 2kcv n ARG 55 Cb 0.68 -2.28 0.67 0.00 -1.16 0.00 0.00 32.46 30.37 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 1.42 0.93 -0.30 0.55 2.02 -1.83 -0.59 112.91 115.12 2kcv h THR 56 Ca 0.54 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 67.60 2kcv h THR 56 Cb 0.91 1.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 2kcv h THR 56 CO 1.37 0.02 -0.02 -2.24 0.37 0.00 0.00 175.52 175.01 2kcv h ASP 57 N 0.00 0.54 -0.11 4.18 2.03 -1.91 -2.58 116.42 118.57 2kcv h ASP 57 Ca -0.00 -0.33 -0.04 0.00 -0.73 0.00 0.00 57.03 55.93 2kcv h ASP 57 Cb 0.04 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 38.38 2kcv h ASP 57 CO 0.00 0.73 -0.04 0.44 -1.03 0.00 0.00 179.24 179.35 2kcv h ASP 58 N 0.33 0.32 -0.59 4.15 3.32 -1.55 -2.49 116.42 119.91 2kcv h ASP 58 Ca 0.08 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.08 2kcv h ASP 58 Cb 0.47 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 2kcv h ASP 58 CO 0.02 0.41 0.38 0.00 -1.72 0.00 0.00 179.24 178.33 2kcv h ALA 59 N 1.64 0.75 -0.47 3.45 0.00 -1.07 -2.43 119.26 121.13 2kcv h ALA 59 Ca 0.07 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.99 2kcv h ALA 59 Cb 0.28 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 2kcv h ALA 59 CO 0.01 0.20 0.17 0.82 0.00 0.00 0.00 179.25 180.45 2kcv h ILE 60 N 0.80 0.84 -0.56 0.00 1.08 -1.05 -0.91 117.51 117.72 2kcv h ILE 60 Ca 0.22 -0.12 -0.07 0.00 -0.39 0.00 0.00 64.86 64.50 2kcv h ILE 60 Cb -0.07 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.13 2kcv h ILE 60 CO -0.04 0.06 0.06 -0.78 -0.69 0.00 0.00 178.15 176.75 2kcv h ASP 61 N 0.34 0.87 -0.22 1.72 3.58 -1.50 -1.11 116.42 120.11 2kcv h ASP 61 Ca 0.23 -0.20 -0.08 0.00 0.42 0.00 0.00 57.03 57.39 2kcv h ASP 61 Cb 0.23 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 2kcv h ASP 61 CO -0.23 0.90 -0.18 0.74 -2.88 0.00 0.00 179.24 177.59 2kcv h THR 62 N 0.86 1.32 -0.45 2.25 2.02 -0.88 -1.63 112.91 116.39 2kcv h THR 62 Ca 0.17 -1.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.02 2kcv h THR 62 Cb 0.43 1.70 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 2kcv h THR 62 CO 0.01 0.40 0.20 1.88 0.37 0.00 0.00 175.52 178.39 2kcv h TYR 63 N 0.19 0.67 -0.97 3.16 0.05 -1.14 -1.17 116.97 117.76 2kcv h TYR 63 Ca 0.04 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2kcv h TYR 63 Cb 0.71 -0.20 -0.05 0.00 1.01 0.00 0.00 36.73 38.20 2kcv h TYR 63 CO 0.07 0.56 0.62 0.00 -1.05 0.00 0.00 178.16 178.36 2kcv h ALA 64 N 1.04 1.24 -0.35 3.88 0.00 -1.13 0.42 119.26 124.36 2kcv h ALA 64 Ca 0.15 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 2kcv h ALA 64 Cb 0.16 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2kcv h ALA 64 CO -0.02 0.66 -0.41 0.37 0.00 0.00 0.00 179.25 179.85 2kcv h GLN 65 N 1.33 0.86 -0.25 0.00 -0.00 -1.23 -2.92 115.11 112.91 2kcv h GLN 65 Ca 0.35 -0.47 -0.02 0.00 -0.00 0.00 0.00 58.65 58.52 2kcv h GLN 65 Cb -0.11 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.38 2kcv h GLN 65 CO -0.07 1.11 0.08 0.78 0.00 0.00 0.00 178.83 180.72 2kcv h GLY 66 N 0.82 0.37 1.22 2.39 0.00 -0.43 -2.89 103.07 104.55 2kcv h GLY 66 Ca 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 2kcv h GLY 66 CO 0.10 0.16 0.45 -2.22 0.00 0.00 0.00 176.54 175.03 2kcv h ILE 67 N 0.35 1.21 -0.51 2.60 2.04 -0.74 0.44 117.51 122.91 2kcv h ILE 67 Ca 0.09 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.47 2kcv h ILE 67 Cb 0.11 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.32 2kcv h ILE 67 CO -0.01 0.23 0.32 -0.33 0.00 0.00 0.00 178.15 178.36 2kcv h GLU 68 N 1.05 0.68 0.00 2.37 5.08 -1.56 -2.68 114.58 119.52 2kcv h GLU 68 Ca 0.27 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 2kcv h GLU 68 Cb -0.03 -0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 2kcv h GLU 68 CO -0.05 0.47 -0.67 -0.39 -1.00 0.00 0.00 179.01 177.38 2kcv h VAL 69 N 0.68 0.03 -0.09 3.13 -1.51 -1.54 -3.35 116.25 113.60 2kcv h VAL 69 Ca 0.18 -1.05 -0.24 0.00 -1.23 0.00 0.00 66.70 64.37 2kcv h VAL 69 Cb -0.04 1.70 0.01 0.00 -2.13 0.00 0.00 31.29 30.83 2kcv h VAL 69 CO -0.04 0.02 -0.87 0.00 -1.23 0.00 0.00 177.57 175.45 2kcv h ALA 70 N 1.98 0.28 -0.65 5.19 0.00 0.13 0.22 119.26 126.40 2kcv h ALA 70 Ca -0.00 -0.64 -0.06 0.00 0.00 0.00 0.00 54.91 54.20 2kcv h ALA 70 Cb 1.02 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2kcv h ALA 70 CO 0.00 0.70 0.16 0.07 0.00 0.00 0.00 179.25 180.18 2kcv h ARG 71 N 0.46 1.04 0.00 0.00 0.11 -1.66 -3.01 114.38 111.33 2kcv h ARG 71 Ca -0.08 -0.25 -0.15 0.00 0.10 0.00 0.00 59.98 59.60 2kcv h ARG 71 Cb 1.50 -0.14 -0.02 0.00 1.11 0.00 0.00 29.97 32.42 2kcv h ARG 71 CO 0.17 0.94 -1.10 0.39 0.10 0.00 0.00 179.97 180.47 2kcv n GLU 72 N -4.30 0.52 0.06 0.08 1.02 -1.21 -4.69 120.64 112.12 2kcv n GLU 72 Ca 0.04 0.50 -0.22 0.00 -0.02 0.00 0.00 57.16 57.46 2kcv n GLU 72 Cb 0.25 -1.68 -0.15 0.00 -0.02 0.00 0.00 31.44 29.84 2kcv n GLU 72 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2kcv h GLU 73 N -1.00 0.36 0.00 3.49 4.39 -0.78 -3.47 114.58 117.57 2kcv h GLU 73 Ca -0.23 -0.61 -0.40 0.00 0.34 0.00 0.00 59.36 58.45 2kcv h GLU 73 Cb 1.02 0.23 0.05 0.00 -0.10 0.00 0.00 28.75 29.94 2kcv h GLU 73 CO -0.14 1.29 0.02 0.41 -1.16 0.00 0.00 179.01 179.43 2kcv n GLY 74 N 1.76 1.31 3.92 -3.84 0.00 -0.98 -5.02 105.19 102.35 2kcv n GLY 74 Ca -0.21 -2.12 -0.27 0.00 0.00 0.00 0.00 46.02 43.42 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 -2.34 2.16 0.49 2.61 -4.23 -1.24 -4.55 115.64 108.54 2kcv s THR 75 Ca 0.54 -0.18 0.14 0.00 -1.18 0.00 0.00 61.69 61.01 2kcv s THR 75 Cb -0.04 -2.98 0.28 0.00 1.34 0.00 0.00 72.50 71.10 2kcv s THR 75 CO 0.35 0.00 2.11 -0.61 -0.54 0.00 0.00 174.62 175.93 2kcv h GLN 76 N -0.82 0.17 -0.10 3.99 5.75 -1.90 -2.15 115.11 120.05 2kcv h GLN 76 Ca -0.45 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.07 2kcv h GLN 76 Cb 1.31 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 29.80 2kcv h GLN 76 CO 0.59 0.11 -0.05 -0.22 -2.65 0.00 0.00 178.83 176.61 2kcv h LYS 77 N 0.18 -0.04 -0.67 1.69 3.64 -1.93 -0.33 116.57 119.10 2kcv h LYS 77 Ca 0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2kcv h LYS 77 Cb 0.05 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 31.85 2kcv h LYS 77 CO -0.01 -0.03 0.42 -0.44 -2.27 0.00 0.00 179.45 177.12 2kcv h ASP 78 N -0.04 0.79 -0.49 4.20 3.32 -1.73 -1.18 116.42 121.28 2kcv h ASP 78 Ca 0.06 -0.04 0.04 0.00 0.02 0.00 0.00 57.03 57.10 2kcv h ASP 78 Cb 0.13 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 2kcv h ASP 78 CO -0.13 0.60 0.26 0.25 -1.72 0.00 0.00 179.24 178.49 2kcv h LEU 79 N 0.91 0.37 -1.17 1.55 5.85 -1.23 -2.65 115.31 118.94 2kcv h LEU 79 Ca 0.24 0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.91 2kcv h LEU 79 Cb -0.06 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 40.91 2kcv h LEU 79 CO -0.05 0.26 -0.27 0.28 -0.34 0.00 0.00 178.44 178.32 2kcv h SER 80 N 0.50 0.23 -0.24 1.25 0.02 -0.35 -2.33 113.55 112.63 2kcv h SER 80 Ca 0.21 -0.07 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 2kcv h SER 80 Cb 0.11 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.58 2kcv h SER 80 CO -0.14 0.50 -0.07 -0.33 -1.14 0.00 0.00 176.83 175.65 2kcv h GLU 81 N 0.21 0.47 -0.41 3.45 4.39 -0.91 -1.08 114.58 120.70 2kcv h GLU 81 Ca 0.03 -0.19 -0.14 0.00 0.34 0.00 0.00 59.36 59.40 2kcv h GLU 81 Cb 0.60 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.21 2kcv h GLU 81 CO 0.04 0.71 -0.29 -0.07 -1.16 0.00 0.00 179.01 178.24 2kcv h LEU 82 N 0.20 0.93 -0.24 1.33 3.38 -1.38 -1.05 115.31 118.48 2kcv h LEU 82 Ca 0.06 -0.38 -0.11 0.00 0.09 0.00 0.00 57.88 57.54 2kcv h LEU 82 Cb 0.55 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2kcv h LEU 82 CO 0.03 1.15 -0.27 1.56 0.09 0.00 0.00 178.44 181.00 2kcv h GLN 83 N 0.76 0.61 -0.48 1.13 4.20 -1.45 -1.58 115.11 118.30 2kcv h GLN 83 Ca 0.08 -0.33 0.02 0.00 0.06 0.00 0.00 58.65 58.48 2kcv h GLN 83 Cb 0.86 0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.63 2kcv h GLN 83 CO 0.08 0.94 0.29 0.22 -0.67 0.00 0.00 178.83 179.68 2kcv h ASP 84 N 0.31 0.48 -0.19 1.46 3.58 -1.17 -1.57 116.42 119.32 2kcv h ASP 84 Ca 0.03 0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.46 2kcv h ASP 84 Cb 0.84 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.78 2kcv h ASP 84 CO 0.07 0.34 0.02 0.00 -2.88 0.00 0.00 179.24 176.78 2kcv h ALA 85 N 1.21 0.26 -0.20 -0.78 0.00 -1.16 -2.95 119.26 115.64 2kcv h ALA 85 Ca 0.19 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.76 2kcv h ALA 85 Cb 0.01 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2kcv h ALA 85 CO -0.08 -0.05 -0.53 1.57 0.00 0.00 0.00 179.25 180.16 2kcv h LYS 86 N 0.11 0.58 -0.44 0.00 2.10 -1.21 -2.56 116.57 115.15 2kcv h LYS 86 Ca 0.06 -0.36 -0.15 0.00 -2.00 0.00 0.00 60.65 58.20 2kcv h LYS 86 Cb 0.34 0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 31.70 2kcv h LYS 86 CO 0.01 0.97 -0.30 1.37 -2.00 0.00 0.00 179.45 179.50 2kcv h LEU 87 N 0.45 1.01 -0.64 7.07 8.10 -1.29 0.32 115.31 130.34 2kcv h LEU 87 Ca 0.01 -0.43 -0.14 0.00 0.11 0.00 0.00 57.88 57.43 2kcv h LEU 87 Cb 1.07 -0.28 -0.01 0.00 -0.44 0.00 0.00 40.66 41.00 2kcv h LEU 87 CO 0.10 1.23 -0.51 0.07 -4.11 0.00 0.00 178.44 175.22 2kcv h LYS 88 N 0.81 0.45 0.00 0.17 5.09 -1.58 -1.63 116.57 119.88 2kcv h LYS 88 Ca 0.09 -0.27 -0.11 0.00 0.09 0.00 0.00 60.65 60.45 2kcv h LYS 88 Cb 0.88 0.02 -0.02 0.00 0.10 0.00 0.00 32.23 33.22 2kcv h LYS 88 CO 0.08 0.85 -0.55 0.00 -2.09 0.00 0.00 179.45 177.75 2kcv h ALA 89 N 1.10 1.06 0.00 0.07 0.00 -1.16 -2.18 119.26 118.14 2kcv h ALA 89 Ca 0.01 -0.50 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 2kcv h ALA 89 Cb 1.01 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2kcv h ALA 89 CO 0.09 0.68 -0.31 0.93 0.00 0.00 0.00 179.25 180.64 2kcv h GLU 90 N 0.00 0.00 -0.59 0.00 5.08 -0.18 0.65 114.58 119.55 2kcv h GLU 90 Ca -0.01 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2kcv h GLU 90 Cb 0.99 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 2kcv h GLU 90 CO 0.07 0.31 0.03 0.78 -1.00 0.00 0.00 179.01 179.20 2kcv h GLY 91 N 2.56 1.08 1.12 -3.84 0.00 -0.82 0.22 103.07 103.39 2kcv h GLY 91 Ca -0.00 -0.75 -0.12 0.00 0.00 0.00 0.00 47.33 46.46 2kcv h GLY 91 CO 0.04 0.69 -0.15 1.41 0.00 0.00 0.00 176.54 178.53 2kcv h LEU 92 N 0.92 1.03 -1.45 3.11 3.38 -1.04 -3.20 115.31 118.06 2kcv h LEU 92 Ca 0.17 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2kcv h LEU 92 Cb 0.50 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2kcv h LEU 92 CO 0.02 1.16 0.00 -0.62 0.09 0.00 0.00 178.44 179.09 2kcv n GLU 93 N -4.13 1.93 -2.22 1.13 -0.58 0.19 -4.51 120.64 112.45 2kcv n GLU 93 Ca 0.01 -1.42 -0.42 0.00 -0.42 0.00 0.00 57.16 54.90 2kcv n GLU 93 Cb 0.43 -1.37 0.00 0.00 -0.57 0.00 0.00 31.44 29.93 2kcv n GLU 93 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2kcv n HIS 94 N 0.65 3.00 -2.65 -0.32 -0.00 0.75 -4.98 115.22 111.67 2kcv n HIS 94 Ca 0.15 -2.82 -0.23 0.00 0.46 0.00 0.00 57.72 55.28 2kcv n HIS 94 Cb 0.37 -2.04 0.03 0.00 -0.12 0.00 0.00 29.99 28.23 2kcv n HIS 94 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kcv s HIS 95 N 0.79 3.06 -0.04 1.57 3.76 -1.26 -5.01 115.29 118.16 2kcv s HIS 95 Ca 0.41 0.25 -0.30 0.00 -0.15 0.00 0.00 55.06 55.27 2kcv s HIS 95 Cb 0.11 -2.67 -0.03 0.00 1.11 0.00 0.00 32.58 31.10 2kcv s HIS 95 CO -0.01 -0.77 1.08 -1.58 -0.85 0.00 0.00 174.74 172.61 2kcv s HIS 96 N -2.80 3.46 0.87 1.40 5.65 -1.26 -5.05 115.29 117.56 2kcv s HIS 96 Ca 0.54 1.48 -0.11 0.00 0.25 0.00 0.00 55.06 57.22 2kcv s HIS 96 Cb -0.10 -3.26 0.11 0.00 -1.18 0.00 0.00 32.58 28.15 2kcv s HIS 96 CO 0.40 -0.60 1.09 -1.01 -0.65 0.00 0.00 174.74 173.98 2kcv s HIS 97 N 1.64 2.35 0.00 3.88 0.09 -1.26 -3.67 115.29 118.32 2kcv s HIS 97 Ca 0.53 1.35 0.00 0.00 -0.00 0.00 0.00 55.06 56.94 2kcv s HIS 97 Cb -0.22 -3.14 0.00 0.00 -0.00 0.00 0.00 32.58 29.22 2kcv s HIS 97 CO 0.23 -2.28 0.00 0.72 -0.00 0.00 0.00 174.74 173.42 2kcv n HIS 98 N -3.82 0.00 -0.24 1.40 8.25 -1.26 -5.34 115.22 114.21 2kcv n HIS 98 Ca 0.08 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 2kcv n HIS 98 Cb 0.55 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.66 2kcv n HIS 98 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56