#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 6.85 0.39 -1.84 2.15 -1.26 -4.96 116.67 118.00 2kcv s ASP 2 Ca 0.00 2.38 0.23 0.00 0.43 0.00 0.00 52.55 55.59 2kcv s ASP 2 Cb 0.00 -2.62 1.30 0.00 -0.30 0.00 0.00 42.92 41.30 2kcv s ASP 2 CO 0.00 -0.45 1.62 -0.65 -0.17 0.00 0.00 175.17 175.52 2kcv h PRO 3 N 3.20 0.13 0.00 4.34 0.11 -2.04 -0.74 132.00 137.00 2kcv h PRO 3 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2kcv h PRO 3 Cb 1.22 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2kcv h PRO 3 CO 0.65 0.08 0.00 0.39 -0.21 0.00 0.00 178.00 178.91 2kcv n GLU 4 N -4.97 0.26 -1.71 1.05 -0.58 -1.26 -4.21 120.64 109.21 2kcv n GLU 4 Ca 0.36 0.26 -0.43 0.00 -0.42 0.00 0.00 57.16 56.93 2kcv n GLU 4 Cb 1.25 -1.83 -0.01 0.00 -0.57 0.00 0.00 31.44 30.29 2kcv n GLU 4 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2kcv n ASP 5 N -2.28 3.00 -0.32 1.62 8.00 -0.29 -4.92 116.55 121.37 2kcv n ASP 5 Ca 0.05 1.19 0.00 0.00 0.71 0.00 0.00 54.79 56.75 2kcv n ASP 5 Cb 0.40 -1.50 0.14 0.00 -0.02 0.00 0.00 41.12 40.13 2kcv n ASP 5 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2kcv h PRO 6 N 3.10 1.01 -0.53 -0.24 0.13 -1.89 -2.31 132.00 131.27 2kcv h PRO 6 Ca -0.47 -0.06 -0.03 0.00 -0.87 0.00 0.00 66.00 64.58 2kcv h PRO 6 Cb 1.27 -0.23 -0.03 0.00 0.13 0.00 0.00 31.00 32.15 2kcv h PRO 6 CO 0.67 0.67 0.23 0.35 -0.23 0.00 0.00 178.00 179.68 2kcv h PHE 7 N 1.04 0.76 0.74 1.56 3.57 -1.94 -1.60 116.94 121.06 2kcv h PHE 7 Ca 0.38 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.81 2kcv h PHE 7 Cb 0.12 -0.24 0.01 0.00 2.79 0.00 0.00 35.95 38.63 2kcv h PHE 7 CO -0.02 0.58 -0.35 1.15 -2.23 0.00 0.00 178.31 177.43 2kcv h THR 8 N 0.76 0.27 0.00 4.41 2.02 -1.70 -0.20 112.91 118.47 2kcv h THR 8 Ca 0.18 -0.02 -0.08 0.00 0.77 0.00 0.00 66.41 67.26 2kcv h THR 8 Cb 0.13 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 2kcv h THR 8 CO -0.02 0.00 -0.40 0.08 0.37 0.00 0.00 175.52 175.55 2kcv h ARG 9 N -1.00 0.00 0.27 6.66 -0.00 -1.59 -1.23 114.38 117.48 2kcv h ARG 9 Ca -0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.87 2kcv h ARG 9 Cb 0.76 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.74 2kcv h ARG 9 CO 0.17 0.40 -0.13 -0.92 -0.00 0.00 0.00 179.97 179.49 2kcv h TYR 10 N 0.00 -0.33 -0.10 4.08 3.20 -1.21 -1.04 116.97 121.57 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 1.01 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.38 2kcv h TYR 10 CO 0.00 -0.05 -0.57 0.00 -1.64 0.00 0.00 178.16 175.90 2kcv h ALA 11 N 0.05 0.84 -0.43 1.82 0.00 -1.03 -2.17 119.26 118.34 2kcv h ALA 11 Ca -0.04 -0.52 -0.09 0.00 0.00 0.00 0.00 54.91 54.26 2kcv h ALA 11 Cb 0.43 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2kcv h ALA 11 CO 0.06 0.70 -0.10 1.25 0.00 0.00 0.00 179.25 181.17 2kcv h LEU 12 N 0.24 0.76 -0.53 0.00 5.85 -1.27 -1.08 115.31 119.27 2kcv h LEU 12 Ca -0.00 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.44 2kcv h LEU 12 Cb 1.07 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 2kcv h LEU 12 CO 0.09 0.88 0.10 0.00 -0.34 0.00 0.00 178.44 179.18 2kcv h ALA 13 N 1.19 0.71 -0.40 1.25 0.00 -0.95 -1.12 119.26 119.94 2kcv h ALA 13 Ca 0.12 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2kcv h ALA 13 Cb 0.57 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2kcv h ALA 13 CO 0.04 0.44 0.04 1.96 0.00 0.00 0.00 179.25 181.72 2kcv h GLN 14 N 0.77 0.61 -0.66 0.00 4.20 -1.20 -1.34 115.11 117.50 2kcv h GLN 14 Ca 0.16 -0.13 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 2kcv h GLN 14 Cb 0.39 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 2kcv h GLN 14 CO 0.01 0.61 0.07 0.93 -0.67 0.00 0.00 178.83 179.78 2kcv h GLU 15 N 0.59 1.11 -0.67 1.46 4.39 -0.93 -2.66 114.58 117.87 2kcv h GLU 15 Ca 0.13 -0.32 0.00 0.00 0.34 0.00 0.00 59.36 59.51 2kcv h GLU 15 Cb 0.32 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.82 2kcv h GLU 15 CO 0.01 1.04 0.44 0.45 -1.16 0.00 0.00 179.01 179.78 2kcv h HIS 16 N 1.03 0.85 -0.87 4.33 3.86 -0.72 -0.72 115.15 122.91 2kcv h HIS 16 Ca 0.19 0.02 0.06 0.00 -1.16 0.00 0.00 60.37 59.48 2kcv h HIS 16 Cb 0.49 -0.29 -0.06 0.00 1.06 0.00 0.00 27.41 28.62 2kcv h HIS 16 CO 0.04 0.54 0.55 -0.07 0.86 0.00 0.00 177.93 179.85 2kcv h LEU 17 N 0.91 0.88 -0.72 2.43 3.38 -1.11 0.35 115.31 121.42 2kcv h LEU 17 Ca 0.24 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.09 2kcv h LEU 17 Cb -0.09 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2kcv h LEU 17 CO -0.05 0.57 -0.53 0.11 0.09 0.00 0.00 178.44 178.63 2kcv h LYS 18 N 1.01 0.30 -0.11 1.13 1.57 -1.18 -2.87 116.57 116.42 2kcv h LYS 18 Ca 0.37 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2kcv h LYS 18 Cb 0.13 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2kcv h LYS 18 CO -0.16 0.76 0.00 0.72 -0.57 0.00 0.00 179.45 180.20 2kcv n HIS 19 N -3.94 0.15 -0.70 -1.35 8.25 -0.30 -4.91 115.22 112.42 2kcv n HIS 19 Ca -0.02 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 2kcv n HIS 19 Cb 0.57 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.68 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 -0.13 0.00 -3.43 0.41 2.03 -0.36 -4.94 116.55 110.12 2kcv n ASP 20 Ca 0.13 0.00 -0.40 0.00 0.52 0.00 0.00 54.79 55.04 2kcv n ASP 20 Cb 0.20 -0.04 -0.02 0.00 -0.72 0.00 0.00 41.12 40.53 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 7.41 0.03 1.67 4.13 0.11 -4.67 115.26 123.94 2kcv n ASN 21 Ca 0.00 -2.66 -0.00 0.00 1.68 0.00 0.00 54.58 53.60 2kcv n ASN 21 Cb 0.00 -1.58 0.30 0.00 -1.54 0.00 0.00 39.78 36.96 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 5.27 1.35 -0.54 5.41 0.00 -1.88 -1.58 119.26 127.30 2kcv h ALA 22 Ca 0.79 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 55.49 2kcv h ALA 22 Cb 0.38 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2kcv h ALA 22 CO 1.81 0.44 0.34 0.66 0.00 0.00 0.00 179.25 182.49 2kcv h SER 23 N 0.43 0.56 -0.23 0.00 4.64 -1.95 0.41 113.55 117.41 2kcv h SER 23 Ca 0.09 -0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.23 2kcv h SER 23 Cb 0.39 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2kcv h SER 23 CO 0.02 0.40 -0.50 0.03 -0.87 0.00 0.00 176.83 175.91 2kcv h ARG 24 N 0.67 0.80 -0.77 4.77 2.47 -1.86 -2.79 114.38 117.68 2kcv h ARG 24 Ca 0.21 -0.48 -0.05 0.00 -1.26 0.00 0.00 59.98 58.40 2kcv h ARG 24 Cb -0.01 0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.32 2kcv h ARG 24 CO -0.08 1.11 0.29 0.00 0.56 0.00 0.00 179.97 181.85 2kcv h ALA 25 N 0.80 1.07 0.03 0.04 0.00 -1.17 -2.68 119.26 117.36 2kcv h ALA 25 Ca 0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2kcv h ALA 25 Cb 1.08 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2kcv h ALA 25 CO 0.11 0.65 -0.01 1.25 0.00 0.00 0.00 179.25 181.25 2kcv h LEU 26 N 1.12 -0.03 -0.71 0.00 5.85 -0.80 -1.95 115.31 118.77 2kcv h LEU 26 Ca 0.25 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.90 2kcv h LEU 26 Cb 0.23 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 2kcv h LEU 26 CO -0.02 0.08 0.44 0.00 -0.34 0.00 0.00 178.44 178.61 2kcv h ALA 27 N 0.82 0.94 -0.45 1.25 0.00 -1.46 -0.73 119.26 119.62 2kcv h ALA 27 Ca -0.00 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2kcv h ALA 27 Cb 0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2kcv h ALA 27 CO 0.01 0.21 -0.14 -0.07 0.00 0.00 0.00 179.25 179.25 2kcv h LEU 28 N 0.85 0.85 -0.37 0.00 3.38 -1.23 -0.15 115.31 118.65 2kcv h LEU 28 Ca 0.29 -0.28 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 2kcv h LEU 28 Cb 0.05 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.56 2kcv h LEU 28 CO -0.12 1.00 -0.17 -0.26 0.09 0.00 0.00 178.44 178.98 2kcv h PHE 29 N 0.76 0.88 -0.57 1.13 0.04 -1.14 -2.14 116.94 115.90 2kcv h PHE 29 Ca 0.12 -0.22 -0.00 0.00 2.80 0.00 0.00 57.97 60.67 2kcv h PHE 29 Cb 0.66 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.57 2kcv h PHE 29 CO 0.04 0.95 0.34 0.93 -0.60 0.00 0.00 178.31 179.96 2kcv h GLU 30 N 0.56 0.77 -0.38 1.51 5.08 -0.96 -2.32 114.58 118.84 2kcv h GLU 30 Ca 0.08 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2kcv h GLU 30 Cb 0.71 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2kcv h GLU 30 CO 0.05 0.54 0.18 1.49 -1.00 0.00 0.00 179.01 180.28 2kcv h GLU 31 N 0.78 0.54 -0.56 2.33 4.57 -0.86 -2.40 114.58 118.99 2kcv h GLU 31 Ca 0.20 -0.08 0.06 0.00 -1.18 0.00 0.00 59.36 58.36 2kcv h GLU 31 Cb -0.02 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 28.42 2kcv h GLU 31 CO -0.04 0.48 0.28 -0.07 -1.18 0.00 0.00 179.01 178.48 2kcv h LEU 32 N 0.47 0.39 0.44 1.64 3.38 -0.87 -1.36 115.31 119.40 2kcv h LEU 32 Ca 0.13 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 2kcv h LEU 32 Cb 0.11 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2kcv h LEU 32 CO -0.02 0.26 -0.21 0.58 0.09 0.00 0.00 178.44 179.14 2kcv h VAL 33 N 0.53 0.56 -0.11 1.22 2.07 -1.30 -0.18 116.25 119.04 2kcv h VAL 33 Ca 0.26 -0.19 -0.08 0.00 0.82 0.00 0.00 66.70 67.50 2kcv h VAL 33 Cb 0.19 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.60 2kcv h VAL 33 CO -0.19 0.04 -0.29 1.05 0.02 0.00 0.00 177.57 178.20 2kcv h GLU 34 N -0.70 0.20 0.00 1.57 4.11 -1.32 -2.58 114.58 115.86 2kcv h GLU 34 Ca -0.06 -0.07 -0.26 0.00 0.07 0.00 0.00 59.36 59.04 2kcv h GLU 34 Cb 0.51 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 2kcv h GLU 34 CO 0.10 0.48 -1.62 -2.37 0.07 0.00 0.00 179.01 175.66 2kcv n THR 35 N -4.14 1.49 -3.46 -1.06 5.66 -0.52 -4.73 114.28 107.52 2kcv n THR 35 Ca -0.01 -0.77 -0.27 0.00 -3.05 0.00 0.00 64.05 59.96 2kcv n THR 35 Cb 0.38 -0.95 -0.12 0.00 -1.55 0.00 0.00 70.33 68.09 2kcv n THR 35 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2kcv s ASP 36 N -6.00 2.79 -0.01 1.09 -1.08 -0.08 -5.04 116.67 108.34 2kcv s ASP 36 Ca -0.04 -1.79 0.02 0.00 -0.52 0.00 0.00 52.55 50.21 2kcv s ASP 36 Cb 0.08 -0.20 0.07 0.00 -1.46 0.00 0.00 42.92 41.42 2kcv s ASP 36 CO 0.82 -0.34 0.77 -0.81 0.52 0.00 0.00 175.17 176.14 2kcv n PRO 37 N 4.45 1.30 0.00 4.34 -0.04 -0.98 -3.12 135.00 140.94 2kcv n PRO 37 Ca 0.07 -0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.24 2kcv n PRO 37 Cb 0.40 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 -0.07 0.29 -4.56 3.54 5.75 -1.26 -4.90 116.55 115.35 2kcv n ASP 38 Ca 0.03 -0.65 -0.27 0.00 -0.01 0.00 0.00 54.79 53.88 2kcv n ASP 38 Cb 0.24 0.27 -0.05 0.00 -1.03 0.00 0.00 41.12 40.55 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 -0.27 1.45 0.30 2.11 5.04 -1.18 -4.80 117.35 120.00 2kcv s TYR 39 Ca 0.00 1.23 0.01 0.00 -2.44 0.00 0.00 57.07 55.87 2kcv s TYR 39 Cb 0.00 -3.79 0.48 0.00 0.35 0.00 0.00 41.96 39.00 2kcv s TYR 39 CO 0.00 -1.95 1.85 0.28 -1.34 0.00 0.00 175.55 174.39 2kcv h VAL 40 N 7.39 1.21 -0.34 3.14 2.07 -1.91 -3.02 116.25 124.79 2kcv h VAL 40 Ca -0.07 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 66.73 2kcv h VAL 40 Cb 1.08 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.57 2kcv h VAL 40 CO 1.14 0.28 0.23 1.23 0.02 0.00 0.00 177.57 180.47 2kcv h GLY 41 N 0.91 0.32 0.93 2.17 0.00 -1.99 -1.48 103.07 103.94 2kcv h GLY 41 Ca 0.16 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.36 2kcv h GLY 41 CO -0.00 0.09 -0.24 -0.84 0.00 0.00 0.00 176.54 175.55 2kcv h THR 42 N 0.27 0.50 -0.93 4.70 2.02 -1.92 -3.29 112.91 114.26 2kcv h THR 42 Ca 0.15 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.40 2kcv h THR 42 Cb 0.24 0.50 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 2kcv h THR 42 CO -0.03 0.00 0.60 1.88 0.37 0.00 0.00 175.52 178.34 2kcv h TYR 43 N -0.63 1.06 0.11 3.16 0.05 -1.40 0.45 116.97 119.76 2kcv h TYR 43 Ca -0.05 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 58.75 2kcv h TYR 43 Cb 0.51 -0.35 -0.00 0.00 1.01 0.00 0.00 36.73 37.90 2kcv h TYR 43 CO -0.07 0.53 -0.10 -0.92 -1.05 0.00 0.00 178.16 176.54 2kcv h TYR 44 N 1.02 -0.28 -0.04 4.88 3.20 -1.66 -2.10 116.97 121.98 2kcv h TYR 44 Ca 0.41 0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.24 2kcv h TYR 44 Cb 0.27 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.64 2kcv h TYR 44 CO -0.00 -0.14 -0.16 0.45 -1.64 0.00 0.00 178.16 176.67 2kcv h HIS 45 N -0.21 0.07 -0.20 -3.82 3.86 -1.39 -0.08 115.15 113.39 2kcv h HIS 45 Ca -0.01 -0.01 -0.13 0.00 -1.16 0.00 0.00 60.37 59.06 2kcv h HIS 45 Cb 0.18 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.63 2kcv h HIS 45 CO -0.09 0.23 -0.39 1.25 0.86 0.00 0.00 177.93 179.80 2kcv h LEU 46 N 0.06 0.68 -0.37 2.43 5.85 -1.04 -2.41 115.31 120.51 2kcv h LEU 46 Ca 0.01 -0.55 -0.17 0.00 0.84 0.00 0.00 57.88 58.01 2kcv h LEU 46 Cb 0.33 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 2kcv h LEU 46 CO 0.02 1.10 -0.47 1.23 -0.34 0.00 0.00 178.44 179.98 2kcv h GLY 47 N 0.28 0.96 1.47 3.75 0.00 -0.64 -1.70 103.07 107.19 2kcv h GLY 47 Ca 0.01 -1.05 -0.03 0.00 0.00 0.00 0.00 47.33 46.25 2kcv h GLY 47 CO 0.09 0.95 0.14 0.50 0.00 0.00 0.00 176.54 178.22 2kcv h LYS 48 N 0.70 0.68 -0.30 4.80 1.79 -1.08 -1.16 116.57 122.00 2kcv h LYS 48 Ca 0.04 -0.11 -0.18 0.00 -2.18 0.00 0.00 60.65 58.21 2kcv h LYS 48 Cb 1.07 -0.12 -0.00 0.00 -1.58 0.00 0.00 32.23 31.60 2kcv h LYS 48 CO 0.11 0.59 -0.52 1.25 -1.08 0.00 0.00 179.45 179.80 2kcv h LEU 49 N 0.67 0.97 -0.86 2.94 5.85 -1.31 -2.73 115.31 120.83 2kcv h LEU 49 Ca 0.16 -0.51 0.02 0.00 0.84 0.00 0.00 57.88 58.39 2kcv h LEU 49 Cb 0.20 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 2kcv h LEU 49 CO -0.01 1.30 0.56 1.88 -0.34 0.00 0.00 178.44 181.84 2kcv h TYR 50 N 0.68 1.06 -0.82 1.25 0.05 -0.71 -1.62 116.97 116.86 2kcv h TYR 50 Ca 0.02 0.03 -0.01 0.00 0.05 0.00 0.00 58.73 58.82 2kcv h TYR 50 Cb 1.13 -0.35 -0.04 0.00 1.01 0.00 0.00 36.73 38.47 2kcv h TYR 50 CO 0.07 0.63 0.49 0.93 -1.05 0.00 0.00 178.16 179.23 2kcv h GLU 51 N 1.11 1.11 -0.25 4.88 5.08 -1.12 0.17 114.58 125.56 2kcv h GLU 51 Ca 0.34 -0.10 -0.12 0.00 -1.00 0.00 0.00 59.36 58.47 2kcv h GLU 51 Cb -0.04 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 28.96 2kcv h GLU 51 CO -0.10 0.78 -0.35 0.00 -1.00 0.00 0.00 179.01 178.34 2kcv h ARG 52 N 1.13 0.56 -0.31 2.33 3.08 -1.12 -3.03 114.38 117.01 2kcv h ARG 52 Ca 0.29 -0.26 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2kcv h ARG 52 Cb -0.04 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.01 2kcv h ARG 52 CO -0.05 0.83 0.00 1.28 -1.07 0.00 0.00 179.97 180.96 2kcv n LEU 53 N -4.06 1.66 -1.15 3.04 4.77 -0.66 -4.90 117.00 115.71 2kcv n LEU 53 Ca -0.01 -0.83 -0.15 0.00 -0.03 0.00 0.00 56.01 54.99 2kcv n LEU 53 Cb 0.48 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.30 2kcv n LEU 53 CO 0.44 0.41 -0.14 -0.67 -1.33 0.00 0.00 177.39 176.10 2kcv n ASP 54 N 0.40 -5.47 -3.09 -1.43 2.03 -0.88 -4.90 116.55 103.22 2kcv n ASP 54 Ca 0.10 0.37 -0.35 0.00 0.52 0.00 0.00 54.79 55.43 2kcv n ASP 54 Cb 0.26 -4.29 -0.02 0.00 -0.72 0.00 0.00 41.12 36.35 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 -1.68 3.76 -0.16 -0.67 5.12 0.53 -4.74 116.66 118.83 2kcv n ARG 55 Ca -0.15 -3.15 -0.02 0.00 -1.93 0.00 0.00 57.85 52.61 2kcv n ARG 55 Cb 0.60 -2.42 0.22 0.00 -1.16 0.00 0.00 32.46 29.70 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 2.31 1.21 -0.84 0.55 2.02 -1.90 -1.52 112.91 114.75 2kcv h THR 56 Ca 0.57 -0.64 0.06 0.00 0.77 0.00 0.00 66.41 67.17 2kcv h THR 56 Cb 0.45 0.47 -0.06 0.00 -1.74 0.00 0.00 68.15 67.27 2kcv h THR 56 CO 1.22 0.26 0.51 0.44 0.37 0.00 0.00 175.52 178.33 2kcv h ASP 57 N 0.87 0.81 -0.01 4.18 5.19 -1.95 -0.75 116.42 124.76 2kcv h ASP 57 Ca 0.21 0.02 -0.18 0.00 -0.62 0.00 0.00 57.03 56.46 2kcv h ASP 57 Cb 0.14 -0.15 -0.00 0.00 0.18 0.00 0.00 39.33 39.50 2kcv h ASP 57 CO -0.02 0.52 -0.61 0.44 -3.12 0.00 0.00 179.24 176.45 2kcv h ASP 58 N 0.94 0.70 0.23 6.45 5.19 -1.85 -2.91 116.42 125.17 2kcv h ASP 58 Ca 0.36 -0.40 -0.01 0.00 -0.62 0.00 0.00 57.03 56.37 2kcv h ASP 58 Cb 0.16 -0.20 0.00 0.00 0.18 0.00 0.00 39.33 39.48 2kcv h ASP 58 CO -0.17 1.14 -0.11 0.00 -3.12 0.00 0.00 179.24 176.98 2kcv h ALA 59 N 0.87 -0.31 -0.92 3.45 0.00 -0.37 -0.90 119.26 121.08 2kcv h ALA 59 Ca -0.01 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 54.87 2kcv h ALA 59 Cb 1.18 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 2kcv h ALA 59 CO 0.12 -0.67 0.60 0.82 0.00 0.00 0.00 179.25 180.11 2kcv h ILE 60 N -0.32 1.15 -0.20 0.00 1.08 -1.20 0.02 117.51 118.05 2kcv h ILE 60 Ca -0.03 -0.39 -0.01 0.00 -0.39 0.00 0.00 64.86 64.03 2kcv h ILE 60 Cb 0.24 -0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 33.89 2kcv h ILE 60 CO 0.05 0.21 0.08 -0.78 -0.69 0.00 0.00 178.15 177.02 2kcv h ASP 61 N 1.14 0.27 -0.20 1.72 3.58 -1.38 -0.81 116.42 120.74 2kcv h ASP 61 Ca 0.37 -0.17 -0.09 0.00 0.42 0.00 0.00 57.03 57.55 2kcv h ASP 61 Cb 0.03 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.00 2kcv h ASP 61 CO -0.11 0.37 -0.17 0.74 -2.88 0.00 0.00 179.24 177.18 2kcv h THR 62 N 0.16 1.26 -0.15 2.25 2.02 -0.35 -1.47 112.91 116.63 2kcv h THR 62 Ca 0.07 -1.19 -0.20 0.00 0.77 0.00 0.00 66.41 65.85 2kcv h THR 62 Cb 0.18 1.18 0.01 0.00 -1.74 0.00 0.00 68.15 67.79 2kcv h THR 62 CO -0.00 0.39 -0.70 1.88 0.37 0.00 0.00 175.52 177.46 2kcv h TYR 63 N 0.56 0.98 -0.53 3.16 0.05 -1.01 -1.05 116.97 119.14 2kcv h TYR 63 Ca 0.09 -0.43 0.04 0.00 0.05 0.00 0.00 58.73 58.48 2kcv h TYR 63 Cb 0.61 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 38.16 2kcv h TYR 63 CO 0.03 1.25 0.29 0.00 -1.05 0.00 0.00 178.16 178.67 2kcv h ALA 64 N 0.53 0.68 -0.66 3.88 0.00 -0.92 0.20 119.26 122.98 2kcv h ALA 64 Ca -0.05 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2kcv h ALA 64 Cb 1.33 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.99 2kcv h ALA 64 CO 0.14 -0.04 0.32 1.96 0.00 0.00 0.00 179.25 181.64 2kcv h GLN 65 N 0.56 0.95 -0.79 0.00 1.08 -1.31 -3.08 115.11 112.51 2kcv h GLN 65 Ca 0.23 -0.14 0.01 0.00 -1.45 0.00 0.00 58.65 57.30 2kcv h GLN 65 Cb 0.10 -0.17 -0.04 0.00 -0.05 0.00 0.00 27.48 27.32 2kcv h GLN 65 CO -0.14 0.75 0.52 0.78 -0.95 0.00 0.00 178.83 179.79 2kcv h GLY 66 N 0.91 1.12 0.85 3.46 0.00 -0.41 -3.13 103.07 105.86 2kcv h GLY 66 Ca 0.23 -0.42 0.02 0.00 0.00 0.00 0.00 47.33 47.16 2kcv h GLY 66 CO -0.03 0.41 0.19 -2.22 0.00 0.00 0.00 176.54 174.90 2kcv h ILE 67 N 1.07 1.00 -0.50 2.60 2.04 -0.55 0.33 117.51 123.50 2kcv h ILE 67 Ca 0.29 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 66.07 2kcv h ILE 67 Cb -0.11 0.57 -0.05 0.00 -0.74 0.00 0.00 36.82 36.48 2kcv h ILE 67 CO -0.06 0.07 0.20 -0.33 0.00 0.00 0.00 178.15 178.03 2kcv h GLU 68 N 0.40 0.38 0.00 2.37 5.08 -1.51 -2.32 114.58 118.97 2kcv h GLU 68 Ca 0.15 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 2kcv h GLU 68 Cb 0.05 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2kcv h GLU 68 CO -0.10 0.25 -0.63 -0.39 -1.00 0.00 0.00 179.01 177.15 2kcv h VAL 69 N 0.39 0.11 -0.03 3.13 -1.51 -1.47 -3.29 116.25 113.59 2kcv h VAL 69 Ca 0.23 -1.18 -0.08 0.00 -1.23 0.00 0.00 66.70 64.44 2kcv h VAL 69 Cb 0.22 1.80 0.01 0.00 -2.13 0.00 0.00 31.29 31.19 2kcv h VAL 69 CO -0.22 0.06 -0.31 0.00 -1.23 0.00 0.00 177.57 175.87 2kcv h ALA 70 N 1.91 0.08 -0.54 5.19 0.00 0.03 0.91 119.26 126.84 2kcv h ALA 70 Ca -0.01 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 2kcv h ALA 70 Cb 1.08 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2kcv h ALA 70 CO 0.01 0.15 0.05 0.07 0.00 0.00 0.00 179.25 179.53 2kcv h ARG 71 N -0.30 0.87 0.00 0.00 0.11 -1.58 -2.81 114.38 110.67 2kcv h ARG 71 Ca -0.03 -0.22 -0.13 0.00 0.10 0.00 0.00 59.98 59.69 2kcv h ARG 71 Cb 1.01 -0.11 -0.02 0.00 1.11 0.00 0.00 29.97 31.96 2kcv h ARG 71 CO 0.06 0.84 -0.96 0.39 0.10 0.00 0.00 179.97 180.40 2kcv n GLU 72 N -4.23 0.51 -0.06 0.08 1.02 -1.24 -4.77 120.64 111.96 2kcv n GLU 72 Ca 0.03 0.54 -0.22 0.00 -0.02 0.00 0.00 57.16 57.49 2kcv n GLU 72 Cb 0.28 -1.71 -0.13 0.00 -0.02 0.00 0.00 31.44 29.87 2kcv n GLU 72 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2kcv n GLU 73 N -4.51 0.67 0.00 3.49 -0.58 0.22 -4.97 120.64 114.96 2kcv n GLU 73 Ca -0.21 0.37 0.00 0.00 -0.42 0.00 0.00 57.16 56.89 2kcv n GLU 73 Cb 0.50 -1.69 0.00 0.00 -0.57 0.00 0.00 31.44 29.68 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 1.76 1.17 3.78 0.62 0.00 -0.65 -5.01 105.19 106.86 2kcv n GLY 74 Ca -0.35 -1.74 -0.25 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 1.37 2.17 0.37 2.61 -4.23 -1.15 -4.71 115.64 112.08 2kcv s THR 75 Ca 0.00 -1.64 0.23 0.00 -1.18 0.00 0.00 61.69 59.09 2kcv s THR 75 Cb 0.00 -2.82 0.24 0.00 1.34 0.00 0.00 72.50 71.26 2kcv s THR 75 CO 0.00 0.00 1.99 -0.61 -0.54 0.00 0.00 174.62 175.46 2kcv h GLN 76 N 1.27 0.00 -0.27 3.99 4.15 -1.91 -2.26 115.11 120.08 2kcv h GLN 76 Ca -0.42 0.00 0.05 0.00 0.77 0.00 0.00 58.65 59.06 2kcv h GLN 76 Cb 1.27 0.00 -0.05 0.00 0.21 0.00 0.00 27.48 28.90 2kcv h GLN 76 CO 0.67 0.19 -0.07 -0.22 -1.93 0.00 0.00 178.83 177.47 2kcv h LYS 77 N 0.00 0.00 -0.26 1.69 3.64 -1.96 0.48 116.57 120.16 2kcv h LYS 77 Ca -0.00 -0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2kcv h LYS 77 Cb 0.45 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 2kcv h LYS 77 CO 0.02 0.00 0.02 -0.44 -2.27 0.00 0.00 179.45 176.79 2kcv h ASP 78 N 0.00 0.43 -1.00 4.20 3.32 -1.82 -2.83 116.42 118.73 2kcv h ASP 78 Ca 0.13 -0.28 0.06 0.00 0.02 0.00 0.00 57.03 56.95 2kcv h ASP 78 Cb 0.20 -0.12 -0.06 0.00 0.22 0.00 0.00 39.33 39.57 2kcv h ASP 78 CO -0.27 0.61 0.65 0.25 -1.72 0.00 0.00 179.24 178.75 2kcv h LEU 79 N 0.25 1.05 -0.55 1.55 5.85 -1.12 -1.44 115.31 120.89 2kcv h LEU 79 Ca 0.08 0.00 -0.12 0.00 0.84 0.00 0.00 57.88 58.68 2kcv h LEU 79 Cb 0.37 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 2kcv h LEU 79 CO 0.01 0.68 -0.13 0.28 -0.34 0.00 0.00 178.44 178.94 2kcv h SER 80 N 1.20 1.03 -0.45 1.25 0.02 -0.83 -1.61 113.55 114.16 2kcv h SER 80 Ca 0.42 -0.35 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 2kcv h SER 80 Cb 0.12 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 2kcv h SER 80 CO -0.16 1.15 0.09 -0.33 -1.14 0.00 0.00 176.83 176.45 2kcv h GLU 81 N 0.91 0.73 -0.16 3.45 4.39 -1.13 -1.36 114.58 121.40 2kcv h GLU 81 Ca 0.14 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 2kcv h GLU 81 Cb 0.70 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2kcv h GLU 81 CO 0.05 0.74 -0.19 -0.07 -1.16 0.00 0.00 179.01 178.38 2kcv h LEU 82 N 0.60 0.45 -0.78 1.33 3.38 -1.20 -1.42 115.31 117.67 2kcv h LEU 82 Ca 0.14 -0.50 -0.07 0.00 0.09 0.00 0.00 57.88 57.54 2kcv h LEU 82 Cb 0.35 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2kcv h LEU 82 CO 0.01 0.86 0.13 1.56 0.09 0.00 0.00 178.44 181.08 2kcv h GLN 83 N 0.05 1.05 0.08 1.13 4.20 -1.34 -2.62 115.11 117.65 2kcv h GLN 83 Ca 0.02 -0.26 -0.00 0.00 0.06 0.00 0.00 58.65 58.47 2kcv h GLN 83 Cb 0.74 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 28.39 2kcv h GLN 83 CO 0.05 0.95 -0.04 0.22 -0.67 0.00 0.00 178.83 179.34 2kcv h ASP 84 N 1.00 -0.09 -0.70 1.46 3.58 -1.22 -2.78 116.42 117.67 2kcv h ASP 84 Ca 0.20 -0.30 -0.04 0.00 0.42 0.00 0.00 57.03 57.31 2kcv h ASP 84 Cb 0.39 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 41.43 2kcv h ASP 84 CO 0.01 0.26 0.28 0.00 -2.88 0.00 0.00 179.24 176.91 2kcv h ALA 85 N 0.44 1.14 -0.24 -0.78 0.00 -1.25 -1.38 119.26 117.18 2kcv h ALA 85 Ca -0.01 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 2kcv h ALA 85 Cb 0.38 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2kcv h ALA 85 CO 0.02 0.61 -0.12 1.57 0.00 0.00 0.00 179.25 181.33 2kcv h LYS 86 N 1.04 0.51 -0.15 0.00 2.10 -1.54 -2.00 116.57 116.53 2kcv h LYS 86 Ca 0.24 -0.23 -0.10 0.00 -2.00 0.00 0.00 60.65 58.56 2kcv h LYS 86 Cb 0.20 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.51 2kcv h LYS 86 CO -0.02 0.78 -0.35 1.37 -2.00 0.00 0.00 179.45 179.22 2kcv h LEU 87 N 0.23 0.32 -0.40 7.07 8.10 -1.20 0.14 115.31 129.57 2kcv h LEU 87 Ca 0.05 -0.12 -0.18 0.00 0.11 0.00 0.00 57.88 57.74 2kcv h LEU 87 Cb 0.63 -0.09 -0.01 0.00 -0.44 0.00 0.00 40.66 40.75 2kcv h LEU 87 CO 0.04 0.66 -0.79 0.07 -4.11 0.00 0.00 178.44 174.30 2kcv h LYS 88 N 0.27 0.17 0.00 0.17 5.09 -1.32 -2.10 116.57 118.85 2kcv h LYS 88 Ca 0.03 -0.16 -0.07 0.00 0.09 0.00 0.00 60.65 60.53 2kcv h LYS 88 Cb 0.76 0.04 -0.01 0.00 0.10 0.00 0.00 32.23 33.12 2kcv h LYS 88 CO 0.06 0.87 -0.36 0.00 -2.09 0.00 0.00 179.45 177.94 2kcv h ALA 89 N 1.07 0.98 -0.40 0.07 0.00 -0.90 -1.86 119.26 118.22 2kcv h ALA 89 Ca -0.03 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 2kcv h ALA 89 Cb 1.38 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2kcv h ALA 89 CO 0.12 0.44 -0.15 0.93 0.00 0.00 0.00 179.25 180.59 2kcv h GLU 90 N 0.00 0.73 0.00 0.00 4.39 -0.57 -2.63 114.58 116.51 2kcv h GLU 90 Ca -0.00 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.44 2kcv h GLU 90 Cb 0.90 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.50 2kcv h GLU 90 CO 0.05 0.85 0.12 0.41 -1.16 0.00 0.00 179.01 179.27 2kcv n GLY 91 N -0.40 -0.71 0.02 -3.84 0.00 -0.71 -0.87 105.19 98.69 2kcv n GLY 91 Ca 0.01 0.14 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 2kcv n GLY 91 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2kcv h LEU 92 N 0.00 0.00 0.00 0.99 3.38 -1.44 -3.44 115.31 114.80 2kcv h LEU 92 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2kcv h LEU 92 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 2kcv h LEU 92 CO 0.00 0.22 -1.25 -0.62 0.09 0.00 0.00 178.44 176.88 2kcv n GLU 93 N -2.96 0.61 0.17 1.13 -0.58 -1.08 -3.78 120.64 114.16 2kcv n GLU 93 Ca -0.02 0.17 0.04 0.00 -0.42 0.00 0.00 57.16 56.93 2kcv n GLU 93 Cb 0.07 -1.81 0.46 0.00 -0.57 0.00 0.00 31.44 29.59 2kcv n GLU 93 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2kcv h HIS 94 N 0.00 0.13 -0.50 -0.32 2.76 -1.27 -3.22 115.15 112.73 2kcv h HIS 94 Ca -0.09 -0.01 -0.43 0.00 -2.20 0.00 0.00 60.37 57.64 2kcv h HIS 94 Cb 1.32 -0.04 -0.04 0.00 1.55 0.00 0.00 27.41 30.20 2kcv h HIS 94 CO 0.00 0.25 1.42 1.58 -1.30 0.00 0.00 177.93 179.88 2kcv n HIS 95 N -4.33 3.07 -2.09 5.26 -0.00 -1.25 -4.96 115.22 110.93 2kcv n HIS 95 Ca -0.01 -1.78 -0.42 0.00 -0.00 0.00 0.00 57.72 55.50 2kcv n HIS 95 Cb 0.23 -2.57 -0.03 0.00 -0.00 0.00 0.00 29.99 27.63 2kcv n HIS 95 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kcv s HIS 96 N 9.18 2.62 -0.09 1.57 -3.43 -1.22 -4.95 115.29 118.97 2kcv s HIS 96 Ca 0.64 0.57 -0.16 0.00 -0.80 0.00 0.00 55.06 55.32 2kcv s HIS 96 Cb 0.02 -3.80 -0.13 0.00 -1.43 0.00 0.00 32.58 27.23 2kcv s HIS 96 CO 0.12 -3.12 0.53 1.25 -2.00 0.00 0.00 174.74 171.52 2kcv h HIS 97 N 8.15 -0.09 -1.61 0.38 6.17 -1.93 -3.49 115.15 122.73 2kcv h HIS 97 Ca -0.40 -0.00 0.06 0.00 0.71 0.00 0.00 60.37 60.74 2kcv h HIS 97 Cb 1.19 0.03 -0.26 0.00 2.52 0.00 0.00 27.41 30.89 2kcv h HIS 97 CO 0.77 0.34 0.42 -1.58 0.71 0.00 0.00 177.93 178.60 2kcv s HIS 98 N -2.44 -0.51 -2.43 5.26 5.65 -1.26 -5.30 115.29 114.26 2kcv s HIS 98 Ca -0.10 1.20 0.29 0.00 0.25 0.00 0.00 55.06 56.70 2kcv s HIS 98 Cb -0.01 0.36 1.16 0.00 -1.18 0.00 0.00 32.58 32.92 2kcv s HIS 98 CO 0.36 -0.25 1.81 0.72 -0.65 0.00 0.00 174.74 176.73