#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcv n ASP 2 N 0.00 3.77 0.07 4.31 -0.08 -1.26 -4.91 116.55 118.45 2kcv n ASP 2 Ca 0.00 1.21 0.17 0.00 -1.51 0.00 0.00 54.79 54.66 2kcv n ASP 2 Cb 0.00 -1.63 0.68 0.00 2.34 0.00 0.00 41.12 42.52 2kcv n ASP 2 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 2kcv h PRO 3 N 2.86 0.00 0.00 -0.67 0.13 -2.03 -1.07 132.00 131.22 2kcv h PRO 3 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2kcv h PRO 3 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2kcv h PRO 3 CO 0.63 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.79 2kcv n GLU 4 N -4.40 0.00 -2.06 0.86 1.02 -1.26 -3.67 120.64 111.13 2kcv n GLU 4 Ca 0.06 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.80 2kcv n GLU 4 Cb 0.47 -1.50 -0.02 0.00 -0.02 0.00 0.00 31.44 30.36 2kcv n GLU 4 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2kcv s ASP 5 N -3.02 6.70 0.21 1.62 1.01 -0.41 -4.94 116.67 117.84 2kcv s ASP 5 Ca 0.14 2.69 -0.14 0.00 0.71 0.00 0.00 52.55 55.95 2kcv s ASP 5 Cb 0.19 -2.64 0.23 0.00 1.01 0.00 0.00 42.92 41.71 2kcv s ASP 5 CO 0.53 -0.63 1.62 -0.65 0.21 0.00 0.00 175.17 176.25 2kcv h PRO 6 N 4.15 -0.02 -0.41 8.23 0.11 -1.88 -2.29 132.00 139.88 2kcv h PRO 6 Ca -0.48 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 2kcv h PRO 6 Cb 1.22 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.32 2kcv h PRO 6 CO 0.71 -0.01 -0.06 0.35 -0.21 0.00 0.00 178.00 178.78 2kcv h PHE 7 N -0.02 0.74 0.11 0.65 3.57 -1.94 -1.72 116.94 118.33 2kcv h PHE 7 Ca 0.30 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 2kcv h PHE 7 Cb 0.48 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 39.02 2kcv h PHE 7 CO -0.54 0.73 -0.05 1.15 -2.23 0.00 0.00 178.31 177.37 2kcv h THR 8 N 0.64 1.05 0.00 4.41 2.02 -1.69 -0.93 112.91 118.41 2kcv h THR 8 Ca 0.12 -0.66 -0.09 0.00 0.77 0.00 0.00 66.41 66.56 2kcv h THR 8 Cb 0.48 1.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.35 2kcv h THR 8 CO 0.03 0.16 -0.41 0.08 0.37 0.00 0.00 175.52 175.74 2kcv h ARG 9 N -0.45 0.00 -0.07 6.66 0.11 -1.56 -1.47 114.38 117.60 2kcv h ARG 9 Ca -0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.07 2kcv h ARG 9 Cb 0.37 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.45 2kcv h ARG 9 CO 0.02 0.41 0.03 -0.92 0.10 0.00 0.00 179.97 179.62 2kcv h TYR 10 N 0.00 0.06 -0.67 4.08 3.20 -1.27 -1.52 116.97 120.85 2kcv h TYR 10 Ca -0.00 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.84 2kcv h TYR 10 Cb 1.03 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.26 2kcv h TYR 10 CO 0.00 0.03 0.31 0.00 -1.64 0.00 0.00 178.16 176.86 2kcv h ALA 11 N 1.04 1.28 -0.66 1.82 0.00 -0.85 -2.38 119.26 119.52 2kcv h ALA 11 Ca 0.03 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2kcv h ALA 11 Cb 0.01 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 2kcv h ALA 11 CO -0.02 0.55 0.18 1.25 0.00 0.00 0.00 179.25 181.21 2kcv h LEU 12 N 0.95 0.96 -0.41 0.00 5.85 -1.13 -2.41 115.31 119.11 2kcv h LEU 12 Ca 0.23 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 2kcv h LEU 12 Cb 0.12 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.88 2kcv h LEU 12 CO -0.03 0.91 0.07 0.00 -0.34 0.00 0.00 178.44 179.05 2kcv h ALA 13 N 1.22 0.54 -0.75 1.25 0.00 -0.89 -2.20 119.26 118.43 2kcv h ALA 13 Ca 0.21 -0.22 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2kcv h ALA 13 Cb 0.31 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 2kcv h ALA 13 CO -0.00 0.26 0.50 1.96 0.00 0.00 0.00 179.25 181.96 2kcv h GLN 14 N 0.53 0.84 -0.39 0.00 4.20 -1.19 -1.73 115.11 117.37 2kcv h GLN 14 Ca 0.12 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.65 2kcv h GLN 14 Cb 0.37 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 27.95 2kcv h GLN 14 CO 0.01 0.56 -0.28 0.93 -0.67 0.00 0.00 178.83 179.38 2kcv h GLU 15 N 0.87 0.83 -0.01 1.46 5.08 -1.20 -3.01 114.58 118.59 2kcv h GLU 15 Ca 0.31 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2kcv h GLU 15 Cb 0.13 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 2kcv h GLU 15 CO -0.10 1.00 -0.06 0.45 -1.00 0.00 0.00 179.01 179.31 2kcv h HIS 16 N 0.71 0.02 0.02 4.33 3.86 -0.69 -2.44 115.15 120.95 2kcv h HIS 16 Ca 0.08 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.30 2kcv h HIS 16 Cb 0.82 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.27 2kcv h HIS 16 CO 0.05 0.08 -0.05 -0.07 0.86 0.00 0.00 177.93 178.79 2kcv h LEU 17 N 0.02 -0.14 -0.71 2.43 3.38 -1.32 0.11 115.31 119.09 2kcv h LEU 17 Ca 0.00 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 2kcv h LEU 17 Cb 0.12 0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2kcv h LEU 17 CO 0.01 -0.08 -0.40 0.07 0.09 0.00 0.00 178.44 178.13 2kcv h LYS 18 N -0.10 0.00 -0.10 1.13 2.10 -1.63 -2.79 116.57 115.19 2kcv h LYS 18 Ca 0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 2kcv h LYS 18 Cb 0.11 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 2kcv h LYS 18 CO -0.04 0.40 0.00 0.72 -2.00 0.00 0.00 179.45 178.52 2kcv n HIS 19 N -3.43 0.13 -0.89 0.07 8.25 -0.93 -4.92 115.22 113.50 2kcv n HIS 19 Ca 0.00 -0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 2kcv n HIS 19 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 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 -0.20 -2.29 -2.67 0.41 2.03 -0.50 -4.89 116.55 108.44 2kcv n ASP 20 Ca 0.13 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.16 2kcv n ASP 20 Cb 0.18 -1.53 -0.06 0.00 -0.72 0.00 0.00 41.12 38.99 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 -0.24 6.73 -0.16 1.67 4.13 0.28 -4.69 115.26 122.99 2kcv n ASN 21 Ca 0.00 -3.05 0.07 0.00 1.68 0.00 0.00 54.58 53.27 2kcv n ASN 21 Cb 0.12 -1.30 0.37 0.00 -1.54 0.00 0.00 39.78 37.43 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 3.44 1.74 -0.54 5.41 0.00 -1.86 -1.38 119.26 126.06 2kcv h ALA 22 Ca 0.45 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.39 2kcv h ALA 22 Cb 0.73 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.29 2kcv h ALA 22 CO 0.95 0.15 0.28 0.77 0.00 0.00 0.00 179.25 181.41 2kcv h SER 23 N 0.71 0.41 0.47 0.00 0.02 -1.93 0.80 113.55 114.02 2kcv h SER 23 Ca 0.30 0.03 -0.20 0.00 -0.84 0.00 0.00 61.79 61.08 2kcv h SER 23 Cb 0.27 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2kcv h SER 23 CO -0.10 0.28 -0.85 0.03 -1.14 0.00 0.00 176.83 175.05 2kcv h ARG 24 N 0.54 0.27 -0.71 3.45 2.47 -1.74 -2.04 114.38 116.64 2kcv h ARG 24 Ca 0.24 -0.28 -0.04 0.00 -1.26 0.00 0.00 59.98 58.64 2kcv h ARG 24 Cb 0.14 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.51 2kcv h ARG 24 CO -0.16 0.97 0.29 0.00 0.56 0.00 0.00 179.97 181.63 2kcv h ALA 25 N 0.93 0.92 -0.02 0.04 0.00 -1.14 -2.25 119.26 117.73 2kcv h ALA 25 Ca -0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2kcv h ALA 25 Cb 1.46 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2kcv h ALA 25 CO 0.14 0.53 0.01 1.25 0.00 0.00 0.00 179.25 181.18 2kcv h LEU 26 N 1.01 0.03 -0.56 0.00 5.85 -0.71 -1.94 115.31 118.98 2kcv h LEU 26 Ca 0.24 -0.16 0.04 0.00 0.84 0.00 0.00 57.88 58.84 2kcv h LEU 26 Cb 0.20 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 2kcv h LEU 26 CO -0.02 0.18 0.32 0.00 -0.34 0.00 0.00 178.44 178.58 2kcv h ALA 27 N 0.85 0.73 -0.47 1.25 0.00 -1.34 -0.38 119.26 119.90 2kcv h ALA 27 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2kcv h ALA 27 Cb 0.16 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2kcv h ALA 27 CO -0.00 0.02 0.21 -0.07 0.00 0.00 0.00 179.25 179.41 2kcv h LEU 28 N 0.63 0.63 -0.14 0.00 3.38 -1.26 -0.67 115.31 117.89 2kcv h LEU 28 Ca 0.24 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 58.05 2kcv h LEU 28 Cb 0.08 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2kcv h LEU 28 CO -0.13 0.61 0.04 -0.26 0.09 0.00 0.00 178.44 178.79 2kcv h PHE 29 N 0.62 0.22 -0.85 1.13 0.04 -1.06 -2.08 116.94 114.97 2kcv h PHE 29 Ca 0.16 -0.02 0.02 0.00 2.80 0.00 0.00 57.97 60.93 2kcv h PHE 29 Cb 0.15 -0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.20 2kcv h PHE 29 CO -0.00 0.35 0.56 0.93 -0.60 0.00 0.00 178.31 179.54 2kcv h GLU 30 N 0.03 1.07 -0.35 1.51 5.08 -1.01 -2.13 114.58 118.79 2kcv h GLU 30 Ca 0.04 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 2kcv h GLU 30 Cb 0.23 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2kcv h GLU 30 CO -0.00 0.71 0.18 1.49 -1.00 0.00 0.00 179.01 180.38 2kcv h GLU 31 N 1.10 0.50 -0.95 2.33 4.81 -1.01 -1.98 114.58 119.38 2kcv h GLU 31 Ca 0.32 -0.07 0.02 0.00 -0.13 0.00 0.00 59.36 59.50 2kcv h GLU 31 Cb -0.06 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.18 2kcv h GLU 31 CO -0.08 0.44 0.63 -0.07 -0.73 0.00 0.00 179.01 179.20 2kcv h LEU 32 N 0.43 1.07 0.41 1.64 3.38 -0.75 -1.41 115.31 120.07 2kcv h LEU 32 Ca 0.12 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2kcv h LEU 32 Cb 0.10 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.60 2kcv h LEU 32 CO -0.02 0.75 -0.19 0.58 0.09 0.00 0.00 178.44 179.65 2kcv h VAL 33 N 1.25 0.57 0.00 1.22 2.07 -1.21 -0.30 116.25 119.85 2kcv h VAL 33 Ca 0.36 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.45 2kcv h VAL 33 Cb -0.08 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 2kcv h VAL 33 CO -0.10 0.07 -0.28 1.05 0.02 0.00 0.00 177.57 178.33 2kcv h GLU 34 N -0.77 0.00 0.05 1.57 4.11 -1.22 -2.32 114.58 116.00 2kcv h GLU 34 Ca -0.06 0.00 -0.34 0.00 0.07 0.00 0.00 59.36 59.04 2kcv h GLU 34 Cb 0.53 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.74 2kcv h GLU 34 CO 0.09 0.28 -1.97 0.25 0.07 0.00 0.00 179.01 177.73 2kcv n THR 35 N -3.78 1.65 -3.39 -1.06 -2.24 -0.55 -4.80 114.28 100.11 2kcv n THR 35 Ca -0.01 -0.72 -0.25 0.00 -2.27 0.00 0.00 64.05 60.79 2kcv n THR 35 Cb 0.37 -1.30 -0.10 0.00 -2.10 0.00 0.00 70.33 67.20 2kcv n THR 35 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2kcv s ASP 36 N -6.46 1.90 0.18 3.42 2.15 -0.12 -5.00 116.67 112.74 2kcv s ASP 36 Ca -0.15 -2.35 0.17 0.00 0.43 0.00 0.00 52.55 50.64 2kcv s ASP 36 Cb 0.07 -0.13 0.79 0.00 -0.30 0.00 0.00 42.92 43.35 2kcv s ASP 36 CO 0.78 -0.24 1.52 -0.81 -0.17 0.00 0.00 175.17 176.25 2kcv n PRO 37 N 3.62 0.10 -0.16 4.34 -0.04 -0.88 -2.67 135.00 139.31 2kcv n PRO 37 Ca 0.18 0.46 -0.08 0.00 -0.04 0.00 0.00 63.50 64.02 2kcv n PRO 37 Cb 0.43 -1.76 0.06 0.00 -0.04 0.00 0.00 33.50 32.19 2kcv n PRO 37 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2kcv h ASP 38 N 0.00 0.95 -0.87 3.54 3.58 -1.89 -3.43 116.42 118.31 2kcv h ASP 38 Ca 0.00 -0.29 -0.27 0.00 0.42 0.00 0.00 57.03 56.88 2kcv h ASP 38 Cb 0.17 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.93 2kcv h ASP 38 CO 0.00 1.05 0.72 -0.47 -2.88 0.00 0.00 179.24 177.67 2kcv s TYR 39 N -4.87 1.61 0.25 0.28 5.04 -1.09 -4.80 117.35 113.76 2kcv s TYR 39 Ca -0.11 0.97 -0.02 0.00 -2.44 0.00 0.00 57.07 55.48 2kcv s TYR 39 Cb 0.13 -3.91 0.30 0.00 0.35 0.00 0.00 41.96 38.83 2kcv s TYR 39 CO 0.85 -1.83 1.70 0.28 -1.34 0.00 0.00 175.55 175.21 2kcv h VAL 40 N 7.31 1.26 -0.12 3.14 2.07 -1.90 -3.12 116.25 124.89 2kcv h VAL 40 Ca 0.01 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.36 2kcv h VAL 40 Cb 1.04 1.14 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 2kcv h VAL 40 CO 1.17 0.40 0.09 1.23 0.02 0.00 0.00 177.57 180.48 2kcv h GLY 41 N 0.98 0.00 0.96 2.17 0.00 -1.99 -1.51 103.07 103.68 2kcv h GLY 41 Ca 0.10 -0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.41 2kcv h GLY 41 CO 0.04 0.00 -0.21 -0.84 0.00 0.00 0.00 176.54 175.53 2kcv h THR 42 N 0.00 0.56 -0.44 4.70 2.02 -1.94 -3.26 112.91 114.54 2kcv h THR 42 Ca 0.06 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.31 2kcv h THR 42 Cb 0.23 0.56 -0.06 0.00 -1.74 0.00 0.00 68.15 67.13 2kcv h THR 42 CO -0.00 0.00 0.07 1.88 0.37 0.00 0.00 175.52 177.84 2kcv h TYR 43 N -0.57 0.10 0.71 3.16 -1.99 -1.42 0.89 116.97 117.86 2kcv h TYR 43 Ca -0.05 0.03 -0.03 0.00 2.00 0.00 0.00 58.73 60.68 2kcv h TYR 43 Cb 0.45 0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.20 2kcv h TYR 43 CO -0.07 -0.02 -0.45 -0.92 -0.00 0.00 0.00 178.16 176.71 2kcv h TYR 44 N 0.19 -1.19 0.00 4.88 3.20 -1.68 -1.32 116.97 121.05 2kcv h TYR 44 Ca 0.22 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 62.01 2kcv h TYR 44 Cb 0.29 0.43 -0.01 0.00 1.54 0.00 0.00 36.73 38.98 2kcv h TYR 44 CO -0.23 -0.67 -0.32 0.45 -1.64 0.00 0.00 178.16 175.75 2kcv h HIS 45 N -1.09 0.00 -0.43 -3.82 3.86 -1.51 0.13 115.15 112.29 2kcv h HIS 45 Ca -0.09 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.00 2kcv h HIS 45 Cb 0.88 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.34 2kcv h HIS 45 CO -0.11 0.32 -0.19 1.25 0.86 0.00 0.00 177.93 180.06 2kcv h LEU 46 N 0.00 0.92 -0.67 2.43 5.85 -0.83 -2.32 115.31 120.68 2kcv h LEU 46 Ca -0.00 -0.40 -0.13 0.00 0.84 0.00 0.00 57.88 58.19 2kcv h LEU 46 Cb 0.67 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2kcv h LEU 46 CO 0.04 1.11 -0.41 1.23 -0.34 0.00 0.00 178.44 180.08 2kcv h GLY 47 N 0.72 0.61 1.03 3.75 0.00 -0.12 -1.21 103.07 107.86 2kcv h GLY 47 Ca 0.10 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.77 2kcv h GLY 47 CO 0.06 0.56 0.27 0.50 0.00 0.00 0.00 176.54 177.93 2kcv h LYS 48 N 0.46 1.07 -0.57 4.80 1.79 -1.00 -1.97 116.57 121.17 2kcv h LYS 48 Ca 0.04 -0.20 -0.07 0.00 -2.18 0.00 0.00 60.65 58.24 2kcv h LYS 48 Cb 0.91 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.37 2kcv h LYS 48 CO 0.08 0.89 0.08 1.25 -1.08 0.00 0.00 179.45 180.67 2kcv h LEU 49 N 1.02 0.91 -0.73 2.94 5.85 -1.25 -2.91 115.31 121.14 2kcv h LEU 49 Ca 0.24 -0.27 0.10 0.00 0.84 0.00 0.00 57.88 58.78 2kcv h LEU 49 Cb 0.23 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 40.94 2kcv h LEU 49 CO -0.02 0.95 0.37 1.88 -0.34 0.00 0.00 178.44 181.28 2kcv h TYR 50 N 0.84 0.66 -0.58 1.25 0.05 -0.86 -1.61 116.97 116.71 2kcv h TYR 50 Ca 0.17 0.03 0.02 0.00 0.05 0.00 0.00 58.73 59.00 2kcv h TYR 50 Cb 0.44 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.96 2kcv h TYR 50 CO 0.03 0.23 0.39 0.93 -1.05 0.00 0.00 178.16 178.69 2kcv h GLU 51 N 0.61 0.71 -0.47 4.88 5.08 -1.17 0.19 114.58 124.41 2kcv h GLU 51 Ca 0.36 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.60 2kcv h GLU 51 Cb 0.40 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.47 2kcv h GLU 51 CO -0.28 0.47 -0.03 0.00 -1.00 0.00 0.00 179.01 178.17 2kcv h ARG 52 N 0.73 0.85 -0.43 2.33 3.08 -1.20 -3.18 114.38 116.57 2kcv h ARG 52 Ca 0.23 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2kcv h ARG 52 Cb 0.01 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2kcv h ARG 52 CO -0.06 0.91 0.00 1.28 -1.07 0.00 0.00 179.97 181.04 2kcv n LEU 53 N -4.32 0.63 -1.19 3.04 4.77 -0.67 -4.84 117.00 114.42 2kcv n LEU 53 Ca 0.00 -0.32 -0.16 0.00 -0.03 0.00 0.00 56.01 55.51 2kcv n LEU 53 Cb 0.33 -0.23 -0.07 0.00 -2.33 0.00 0.00 43.42 41.12 2kcv n LEU 53 CO 0.42 0.14 -0.15 -0.67 -1.33 0.00 0.00 177.39 175.81 2kcv n ASP 54 N -0.21 -5.36 -2.46 -1.43 2.03 -1.07 -4.88 116.55 103.17 2kcv n ASP 54 Ca 0.01 0.39 -0.32 0.00 0.52 0.00 0.00 54.79 55.38 2kcv n ASP 54 Cb 0.14 -4.23 0.04 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 -1.90 3.05 0.26 -0.67 5.12 0.59 -4.70 116.66 118.42 2kcv n ARG 55 Ca -0.16 -3.79 0.10 0.00 -1.93 0.00 0.00 57.85 52.07 2kcv n ARG 55 Cb 0.59 -2.27 0.68 0.00 -1.16 0.00 0.00 32.46 30.30 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 1.85 0.86 -0.24 0.55 2.02 -1.84 -0.52 112.91 115.59 2kcv h THR 56 Ca 0.49 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 67.43 2kcv h THR 56 Cb 0.77 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 68.30 2kcv h THR 56 CO 1.22 0.07 0.06 -0.78 0.37 0.00 0.00 175.52 176.47 2kcv h ASP 57 N 0.00 0.05 -0.05 4.18 3.58 -1.85 -1.24 116.42 121.09 2kcv h ASP 57 Ca -0.00 0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.42 2kcv h ASP 57 Cb 0.14 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.22 2kcv h ASP 57 CO 0.01 0.06 -0.13 0.44 -2.88 0.00 0.00 179.24 176.73 2kcv h ASP 58 N 0.16 0.34 -0.17 2.28 5.19 -1.60 -2.96 116.42 119.67 2kcv h ASP 58 Ca 0.11 -0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.44 2kcv h ASP 58 Cb 0.10 -0.09 -0.01 0.00 0.18 0.00 0.00 39.33 39.51 2kcv h ASP 58 CO -0.13 0.51 0.10 0.00 -3.12 0.00 0.00 179.24 176.59 2kcv h ALA 59 N 1.53 0.21 -0.68 3.45 0.00 -0.58 -2.02 119.26 121.17 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 0.44 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 18.11 2kcv h ALA 59 CO 0.03 -0.27 0.38 0.82 0.00 0.00 0.00 179.25 180.21 2kcv h ILE 60 N 0.18 0.97 -0.30 0.00 1.08 -1.09 0.05 117.51 118.41 2kcv h ILE 60 Ca 0.06 -0.24 0.01 0.00 -0.39 0.00 0.00 64.86 64.29 2kcv h ILE 60 Cb 0.05 0.21 -0.02 0.00 -3.07 0.00 0.00 36.82 33.99 2kcv h ILE 60 CO -0.01 0.13 0.19 -0.78 -0.69 0.00 0.00 178.15 176.99 2kcv h ASP 61 N 0.71 0.32 0.47 1.72 3.58 -1.43 -0.87 116.42 120.91 2kcv h ASP 61 Ca 0.30 -0.00 -0.14 0.00 0.42 0.00 0.00 57.03 57.61 2kcv h ASP 61 Cb 0.18 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 2kcv h ASP 61 CO -0.18 0.23 -0.60 0.74 -2.88 0.00 0.00 179.24 176.55 2kcv h THR 62 N 0.39 1.41 -0.22 2.25 2.02 -0.59 -0.94 112.91 117.22 2kcv h THR 62 Ca 0.11 -2.01 -0.15 0.00 0.77 0.00 0.00 66.41 65.13 2kcv h THR 62 Cb -0.03 2.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 2kcv h THR 62 CO -0.04 0.58 -0.44 1.88 0.37 0.00 0.00 175.52 177.88 2kcv h TYR 63 N 0.10 0.87 -0.73 3.16 0.05 -0.94 -0.97 116.97 118.51 2kcv h TYR 63 Ca -0.01 -0.32 -0.01 0.00 0.05 0.00 0.00 58.73 58.45 2kcv h TYR 63 Cb 1.08 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 38.63 2kcv h TYR 63 CO 0.01 1.09 0.42 0.00 -1.05 0.00 0.00 178.16 178.64 2kcv h ALA 64 N 0.62 0.93 -0.54 3.88 0.00 -0.94 0.61 119.26 123.82 2kcv h ALA 64 Ca 0.01 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2kcv h ALA 64 Cb 1.05 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2kcv h ALA 64 CO 0.10 0.43 0.05 0.37 0.00 0.00 0.00 179.25 180.19 2kcv h GLN 65 N 1.00 0.92 -0.67 0.00 -0.00 -1.20 -2.94 115.11 112.22 2kcv h GLN 65 Ca 0.26 -0.27 -0.00 0.00 -0.00 0.00 0.00 58.65 58.64 2kcv h GLN 65 Cb -0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 27.48 27.35 2kcv h GLN 65 CO -0.05 0.91 0.40 0.78 0.00 0.00 0.00 178.83 180.87 2kcv h GLY 66 N 0.80 0.98 0.53 2.39 0.00 -0.69 -3.00 103.07 104.08 2kcv h GLY 66 Ca 0.16 -0.40 0.07 0.00 0.00 0.00 0.00 47.33 47.16 2kcv h GLY 66 CO 0.02 0.39 0.21 -2.22 0.00 0.00 0.00 176.54 174.94 2kcv h ILE 67 N 0.93 0.84 -0.38 2.60 2.04 -0.70 0.14 117.51 122.97 2kcv h ILE 67 Ca 0.24 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.96 2kcv h ILE 67 Cb -0.03 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 2kcv h ILE 67 CO -0.04 0.07 0.25 -0.33 0.00 0.00 0.00 178.15 178.10 2kcv h GLU 68 N 0.41 0.51 0.00 2.37 5.08 -1.54 -2.26 114.58 119.14 2kcv h GLU 68 Ca 0.26 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.53 2kcv h GLU 68 Cb 0.27 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 2kcv h GLU 68 CO -0.25 0.35 -0.52 -0.39 -1.00 0.00 0.00 179.01 177.21 2kcv h VAL 69 N 0.51 0.30 -0.03 3.13 -1.51 -1.51 -3.32 116.25 113.82 2kcv h VAL 69 Ca 0.14 -1.46 -0.08 0.00 -1.23 0.00 0.00 66.70 64.07 2kcv h VAL 69 Cb -0.04 2.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.15 2kcv h VAL 69 CO -0.03 0.17 -0.29 0.00 -1.23 0.00 0.00 177.57 176.20 2kcv h ALA 70 N 1.79 0.07 -0.41 5.19 0.00 -0.42 -0.16 119.26 125.32 2kcv h ALA 70 Ca -0.02 -0.45 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2kcv h ALA 70 Cb 1.18 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2kcv h ALA 70 CO 0.02 0.12 0.01 0.07 0.00 0.00 0.00 179.25 179.48 2kcv h ARG 71 N -0.34 0.64 0.00 0.00 0.11 -1.56 -2.01 114.38 111.22 2kcv h ARG 71 Ca -0.03 -0.15 -0.16 0.00 0.10 0.00 0.00 59.98 59.75 2kcv h ARG 71 Cb 0.98 -0.09 -0.02 0.00 1.11 0.00 0.00 29.97 31.95 2kcv h ARG 71 CO 0.06 0.65 -1.04 0.39 0.10 0.00 0.00 179.97 180.13 2kcv n GLU 72 N -4.26 0.53 -0.09 0.08 -0.58 -1.25 -4.79 120.64 110.28 2kcv n GLU 72 Ca 0.02 0.55 -0.20 0.00 -0.42 0.00 0.00 57.16 57.11 2kcv n GLU 72 Cb 0.26 -1.72 -0.12 0.00 -0.57 0.00 0.00 31.44 29.29 2kcv n GLU 72 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 2kcv n GLU 73 N -4.49 0.67 -0.18 3.49 -0.58 -0.15 -5.00 120.64 114.41 2kcv n GLU 73 Ca -0.24 0.21 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2kcv n GLU 73 Cb 0.54 -1.58 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 2kcv n GLU 73 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2kcv n GLY 74 N 2.04 -0.18 3.94 0.62 0.00 -0.75 -4.99 105.19 105.87 2kcv n GLY 74 Ca -0.42 -1.78 -0.24 0.00 0.00 0.00 0.00 46.02 43.57 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 -0.08 2.68 0.22 2.61 -4.23 -1.24 -4.71 115.64 110.89 2kcv s THR 75 Ca 0.00 -0.35 0.20 0.00 -1.18 0.00 0.00 61.69 60.36 2kcv s THR 75 Cb 0.00 -3.09 0.16 0.00 1.34 0.00 0.00 72.50 70.91 2kcv s THR 75 CO 0.00 -0.09 1.80 -0.61 -0.54 0.00 0.00 174.62 175.18 2kcv h GLN 76 N -0.29 0.00 -0.41 3.99 4.15 -1.93 -2.42 115.11 118.20 2kcv h GLN 76 Ca -0.44 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.98 2kcv h GLN 76 Cb 1.30 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.97 2kcv h GLN 76 CO 0.58 0.32 0.26 -0.22 -1.93 0.00 0.00 178.83 177.84 2kcv h LYS 77 N 0.00 0.54 -0.09 1.69 3.64 -1.95 -0.70 116.57 119.69 2kcv h LYS 77 Ca -0.00 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.34 2kcv h LYS 77 Cb 0.78 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2kcv h LYS 77 CO 0.04 0.37 0.06 -0.44 -2.27 0.00 0.00 179.45 177.21 2kcv h ASP 78 N 0.54 0.11 -0.05 4.20 3.32 -1.86 -1.58 116.42 121.11 2kcv h ASP 78 Ca 0.15 -0.04 0.02 0.00 0.02 0.00 0.00 57.03 57.18 2kcv h ASP 78 Cb -0.04 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 2kcv h ASP 78 CO -0.03 0.12 -0.09 0.25 -1.72 0.00 0.00 179.24 177.76 2kcv h LEU 79 N 0.10 -0.28 -1.12 1.55 5.85 -1.30 -1.48 115.31 118.62 2kcv h LEU 79 Ca 0.03 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.72 2kcv h LEU 79 Cb 0.03 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 2kcv h LEU 79 CO -0.01 -0.13 -0.32 -1.28 -0.34 0.00 0.00 178.44 176.37 2kcv h SER 80 N -0.14 0.22 -0.13 1.25 0.87 -1.07 -1.73 113.55 112.82 2kcv h SER 80 Ca 0.05 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.49 2kcv h SER 80 Cb 0.21 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.11 2kcv h SER 80 CO -0.13 0.53 -0.10 -0.33 -0.53 0.00 0.00 176.83 176.26 2kcv h GLU 81 N 0.19 0.29 -0.73 2.24 4.39 -0.99 -0.65 114.58 119.32 2kcv h GLU 81 Ca 0.03 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 2kcv h GLU 81 Cb 0.66 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 2kcv h GLU 81 CO 0.05 0.68 0.38 -0.07 -1.16 0.00 0.00 179.01 178.88 2kcv h LEU 82 N -0.09 0.94 -0.16 1.33 3.38 -1.08 -0.27 115.31 119.36 2kcv h LEU 82 Ca 0.02 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 2kcv h LEU 82 Cb 0.61 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2kcv h LEU 82 CO 0.03 0.79 -0.01 1.56 0.09 0.00 0.00 178.44 180.89 2kcv h GLN 83 N 1.02 0.29 -0.74 1.13 4.20 -1.36 -2.78 115.11 116.88 2kcv h GLN 83 Ca 0.26 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 2kcv h GLN 83 Cb 0.08 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.80 2kcv h GLN 83 CO -0.04 0.53 0.25 0.22 -0.67 0.00 0.00 178.83 179.12 2kcv h ASP 84 N 0.03 1.06 -0.31 1.46 3.58 -0.92 -2.08 116.42 119.24 2kcv h ASP 84 Ca 0.04 -0.20 -0.06 0.00 0.42 0.00 0.00 57.03 57.23 2kcv h ASP 84 Cb 0.41 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 2kcv h ASP 84 CO 0.01 0.97 -0.05 0.00 -2.88 0.00 0.00 179.24 177.29 2kcv h ALA 85 N 1.12 0.42 -0.16 -0.78 0.00 -1.08 -2.78 119.26 116.00 2kcv h ALA 85 Ca 0.24 -0.27 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 2kcv h ALA 85 Cb 0.28 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2kcv h ALA 85 CO -0.01 0.22 -0.59 1.57 0.00 0.00 0.00 179.25 180.44 2kcv h LYS 86 N 0.35 0.54 -0.16 0.00 2.10 -1.37 -1.47 116.57 116.56 2kcv h LYS 86 Ca 0.08 -0.36 -0.16 0.00 -2.00 0.00 0.00 60.65 58.21 2kcv h LYS 86 Cb 0.52 0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.90 2kcv h LYS 86 CO 0.03 0.97 -0.55 1.37 -2.00 0.00 0.00 179.45 179.27 2kcv h LEU 87 N 0.40 0.54 -0.26 7.07 8.10 -1.38 -2.09 115.31 127.70 2kcv h LEU 87 Ca -0.00 -0.29 -0.20 0.00 0.11 0.00 0.00 57.88 57.50 2kcv h LEU 87 Cb 1.15 -0.16 -0.01 0.00 -0.44 0.00 0.00 40.66 41.20 2kcv h LEU 87 CO 0.11 0.99 -0.89 0.07 -4.11 0.00 0.00 178.44 174.60 2kcv h LYS 88 N 0.38 0.17 0.00 0.17 2.10 -1.54 -3.28 116.57 114.57 2kcv h LYS 88 Ca 0.01 -0.20 -0.02 0.00 -2.00 0.00 0.00 60.65 58.44 2kcv h LYS 88 Cb 1.08 0.06 -0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2kcv h LYS 88 CO 0.10 0.96 -0.08 0.00 -2.00 0.00 0.00 179.45 178.42 2kcv h ALA 89 N 0.97 1.19 -0.55 0.07 0.00 -0.98 -1.04 119.26 118.92 2kcv h ALA 89 Ca -0.04 -0.08 0.16 0.00 0.00 0.00 0.00 54.91 54.95 2kcv h ALA 89 Cb 1.53 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2kcv h ALA 89 CO 0.13 0.10 0.46 0.93 0.00 0.00 0.00 179.25 180.88 2kcv h GLU 90 N 0.00 0.00 0.00 0.00 4.39 -1.44 -1.39 114.58 116.13 2kcv h GLU 90 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2kcv h GLU 90 Cb 0.32 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2kcv h GLU 90 CO 0.01 0.00 -0.14 0.78 -1.16 0.00 0.00 179.01 178.50 2kcv h GLY 91 N 0.00 0.00 0.02 -3.84 0.00 -1.38 -1.96 103.07 95.90 2kcv h GLY 91 Ca 0.26 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.59 2kcv h GLY 91 CO -0.00 0.00 -0.01 1.41 0.00 0.00 0.00 176.54 177.94 2kcv h LEU 92 N 0.00 -0.02 -6.86 3.11 3.38 -1.40 -3.44 115.31 110.08 2kcv h LEU 92 Ca -0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 2kcv h LEU 92 Cb 0.72 0.01 -0.40 0.00 0.09 0.00 0.00 40.66 41.08 2kcv h LEU 92 CO 0.02 0.03 -0.77 -1.83 0.09 0.00 0.00 178.44 175.98 2kcv s GLU 93 N -1.42 1.07 0.06 1.13 -1.05 -1.19 -4.88 118.70 112.43 2kcv s GLU 93 Ca -0.00 -1.82 0.27 0.00 -0.15 0.00 0.00 54.97 53.26 2kcv s GLU 93 Cb 0.00 -2.03 0.82 0.00 -0.44 0.00 0.00 34.13 32.49 2kcv s GLU 93 CO 0.01 -1.18 1.67 -2.39 0.95 0.00 0.00 175.26 174.32 2kcv n HIS 94 N 3.66 0.29 -2.56 4.83 1.44 -0.74 -4.73 115.22 117.42 2kcv n HIS 94 Ca 0.10 0.09 -0.41 0.00 -2.01 0.00 0.00 57.72 55.49 2kcv n HIS 94 Cb 0.36 -0.56 -0.03 0.00 0.12 0.00 0.00 29.99 29.87 2kcv n HIS 94 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2kcv s HIS 95 N -3.05 2.35 -0.27 -1.40 0.00 -1.26 -4.93 115.29 106.73 2kcv s HIS 95 Ca 0.11 -0.25 -0.25 0.00 -3.00 0.00 0.00 55.06 51.67 2kcv s HIS 95 Cb 0.16 -4.64 0.07 0.00 -4.00 0.00 0.00 32.58 24.18 2kcv s HIS 95 CO 0.62 -2.03 0.73 -3.38 -1.00 0.00 0.00 174.74 169.67 2kcv s HIS 96 N 5.51 -0.79 -1.32 0.38 -0.00 -1.26 -5.07 115.29 112.75 2kcv s HIS 96 Ca 0.37 1.90 0.11 0.00 -0.00 0.00 0.00 55.06 57.45 2kcv s HIS 96 Cb -0.06 0.28 0.15 0.00 -0.00 0.00 0.00 32.58 32.96 2kcv s HIS 96 CO 0.09 -0.38 0.98 0.72 -0.00 0.00 0.00 174.74 176.15 2kcv n HIS 97 N 2.72 0.13 -3.84 0.38 8.25 -1.26 -5.04 115.22 116.57 2kcv n HIS 97 Ca -0.14 -0.14 -0.05 0.00 -0.26 0.00 0.00 57.72 57.13 2kcv n HIS 97 Cb 0.55 -0.01 0.01 0.00 1.12 0.00 0.00 29.99 31.67 2kcv n HIS 97 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kcv s HIS 98 N -0.98 0.04 0.00 4.41 -3.43 -1.26 -5.35 115.29 108.71 2kcv s HIS 98 Ca 0.17 -0.52 0.00 0.00 -0.80 0.00 0.00 55.06 53.91 2kcv s HIS 98 Cb 0.10 0.74 0.00 0.00 -1.43 0.00 0.00 32.58 31.99 2kcv s HIS 98 CO 0.15 -1.14 0.00 1.58 -2.00 0.00 0.00 174.74 173.33