#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 5.23 0.00 1.62 1.11 -1.26 -5.02 116.67 118.35 2kcv s ASP 2 Ca 0.00 0.13 0.17 0.00 0.18 0.00 0.00 52.55 53.03 2kcv s ASP 2 Cb 0.00 -1.46 0.82 0.00 1.07 0.00 0.00 42.92 43.35 2kcv s ASP 2 CO 0.00 0.36 1.52 -0.81 1.18 0.00 0.00 175.17 177.42 2kcv n PRO 3 N 2.03 0.16 0.06 8.23 -0.04 -1.26 -1.94 135.00 142.24 2kcv n PRO 3 Ca -0.18 0.15 0.12 0.00 -0.04 0.00 0.00 63.50 63.56 2kcv n PRO 3 Cb 0.53 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.73 2kcv n PRO 3 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2kcv n GLU 4 N -1.36 0.26 -2.44 0.54 1.02 -1.26 -4.34 120.64 113.06 2kcv n GLU 4 Ca 0.07 0.11 -0.42 0.00 -0.02 0.00 0.00 57.16 56.89 2kcv n GLU 4 Cb 0.16 -1.69 -0.03 0.00 -0.02 0.00 0.00 31.44 29.85 2kcv n GLU 4 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2kcv s ASP 5 N -4.18 7.08 0.15 1.62 2.15 -0.82 -4.99 116.67 117.68 2kcv s ASP 5 Ca 0.08 1.94 -0.28 0.00 0.43 0.00 0.00 52.55 54.71 2kcv s ASP 5 Cb 0.14 -2.57 -0.03 0.00 -0.30 0.00 0.00 42.92 40.16 2kcv s ASP 5 CO 0.69 -0.50 1.57 -0.65 -0.17 0.00 0.00 175.17 176.11 2kcv h PRO 6 N 7.04 -0.36 -0.15 4.34 0.11 -1.88 -2.03 132.00 139.07 2kcv h PRO 6 Ca -0.39 0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.68 2kcv h PRO 6 Cb 1.20 0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.38 2kcv h PRO 6 CO 0.83 -0.24 -0.18 0.35 -0.21 0.00 0.00 178.00 178.55 2kcv h PHE 7 N -0.37 0.27 -0.14 0.65 3.57 -1.95 -1.25 116.94 117.72 2kcv h PHE 7 Ca 0.12 -0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.48 2kcv h PHE 7 Cb 0.60 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 39.26 2kcv h PHE 7 CO -0.61 0.44 -0.30 1.15 -2.23 0.00 0.00 178.31 176.76 2kcv h THR 8 N 0.24 1.36 0.00 4.41 2.02 -1.76 -0.66 112.91 118.52 2kcv h THR 8 Ca 0.04 -1.56 -0.10 0.00 0.77 0.00 0.00 66.41 65.56 2kcv h THR 8 Cb 0.47 2.01 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 2kcv h THR 8 CO 0.03 0.47 -0.46 0.08 0.37 0.00 0.00 175.52 176.01 2kcv h ARG 9 N 0.07 0.00 -0.03 6.66 0.11 -1.27 -0.72 114.38 119.20 2kcv h ARG 9 Ca 0.00 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.08 2kcv h ARG 9 Cb 0.89 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.97 2kcv h ARG 9 CO 0.07 0.46 0.01 -0.92 0.10 0.00 0.00 179.97 179.68 2kcv h TYR 10 N 0.00 0.05 -0.49 4.08 3.20 -1.20 -1.06 116.97 121.55 2kcv h TYR 10 Ca -0.00 -0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 2kcv h TYR 10 Cb 1.00 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 39.24 2kcv h TYR 10 CO 0.00 0.28 0.02 0.00 -1.64 0.00 0.00 178.16 176.82 2kcv h ALA 11 N 0.77 1.10 -0.19 1.82 0.00 -0.95 -2.03 119.26 119.78 2kcv h ALA 11 Ca 0.01 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 2kcv h ALA 11 Cb 0.26 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2kcv h ALA 11 CO 0.00 0.57 -0.33 1.25 0.00 0.00 0.00 179.25 180.75 2kcv h LEU 12 N 0.76 0.41 -0.41 0.00 5.85 -1.11 -1.15 115.31 119.65 2kcv h LEU 12 Ca 0.15 -0.15 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2kcv h LEU 12 Cb 0.44 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2kcv h LEU 12 CO 0.02 0.72 0.06 0.00 -0.34 0.00 0.00 178.44 178.89 2kcv h ALA 13 N 1.31 0.54 -0.65 1.25 0.00 -0.83 -1.21 119.26 119.67 2kcv h ALA 13 Ca 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2kcv h ALA 13 Cb 0.75 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.35 2kcv h ALA 13 CO 0.06 0.26 0.30 1.96 0.00 0.00 0.00 179.25 181.83 2kcv h GLN 14 N 0.52 0.94 -0.28 0.00 4.20 -1.09 -1.65 115.11 117.75 2kcv h GLN 14 Ca 0.12 -0.13 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2kcv h GLN 14 Cb 0.38 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 2kcv h GLN 14 CO 0.01 0.74 0.11 0.93 -0.67 0.00 0.00 178.83 179.95 2kcv h GLU 15 N 0.93 0.42 -0.84 1.46 5.08 -1.04 -2.71 114.58 117.88 2kcv h GLU 15 Ca 0.23 -0.07 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2kcv h GLU 15 Cb 0.12 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 2kcv h GLU 15 CO -0.03 0.44 0.55 0.45 -1.00 0.00 0.00 179.01 179.42 2kcv h HIS 16 N 0.30 1.03 -0.57 4.33 3.86 -0.83 0.72 115.15 124.00 2kcv h HIS 16 Ca 0.09 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 2kcv h HIS 16 Cb 0.17 -0.35 -0.03 0.00 1.06 0.00 0.00 27.41 28.27 2kcv h HIS 16 CO -0.01 0.63 0.35 -0.07 0.86 0.00 0.00 177.93 179.69 2kcv h LEU 17 N 1.10 0.67 -0.74 2.43 3.38 -1.17 0.40 115.31 121.38 2kcv h LEU 17 Ca 0.32 -0.05 -0.13 0.00 0.09 0.00 0.00 57.88 58.12 2kcv h LEU 17 Cb -0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 2kcv h LEU 17 CO -0.08 0.52 -0.60 0.11 0.09 0.00 0.00 178.44 178.48 2kcv h LYS 18 N 0.76 0.00 -0.23 1.13 1.57 -1.11 -2.67 116.57 116.03 2kcv h LYS 18 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 2kcv h LYS 18 Cb -0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2kcv h LYS 18 CO -0.04 0.60 0.00 0.72 -0.57 0.00 0.00 179.45 180.16 2kcv n HIS 19 N -3.72 0.30 -0.17 -1.35 8.25 0.20 -4.93 115.22 113.80 2kcv n HIS 19 Ca -0.01 -0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.30 2kcv n HIS 19 Cb 0.62 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.73 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 0.21 0.00 -3.19 0.41 2.03 -0.29 -4.91 116.55 110.81 2kcv n ASP 20 Ca 0.11 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.10 2kcv n ASP 20 Cb 0.23 -0.28 -0.03 0.00 -0.72 0.00 0.00 41.12 40.32 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 7.33 -0.01 1.67 4.13 0.13 -4.68 115.26 123.82 2kcv n ASN 21 Ca 0.00 -2.48 0.00 0.00 1.68 0.00 0.00 54.58 53.79 2kcv n ASN 21 Cb 0.00 -1.39 0.31 0.00 -1.54 0.00 0.00 39.78 37.16 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 5.31 1.42 -0.17 5.41 0.00 -1.88 -1.46 119.26 127.89 2kcv h ALA 22 Ca 0.72 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.46 2kcv h ALA 22 Cb 0.30 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2kcv h ALA 22 CO 1.59 0.42 0.09 0.66 0.00 0.00 0.00 179.25 182.00 2kcv h SER 23 N 0.53 0.13 0.41 0.00 4.64 -1.94 0.96 113.55 118.28 2kcv h SER 23 Ca 0.12 0.01 -0.12 0.00 -0.47 0.00 0.00 61.79 61.33 2kcv h SER 23 Cb 0.26 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2kcv h SER 23 CO 0.00 0.10 -0.51 0.03 -0.87 0.00 0.00 176.83 175.58 2kcv h ARG 24 N 0.18 0.12 -0.53 4.77 2.47 -1.86 -1.75 114.38 117.79 2kcv h ARG 24 Ca 0.07 -0.07 -0.10 0.00 -1.26 0.00 0.00 59.98 58.62 2kcv h ARG 24 Cb 0.01 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.31 2kcv h ARG 24 CO -0.04 0.61 -0.04 0.00 0.56 0.00 0.00 179.97 181.05 2kcv h ALA 25 N 1.38 0.72 -0.52 0.04 0.00 -1.13 -2.62 119.26 117.14 2kcv h ALA 25 Ca 0.00 -0.32 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2kcv h ALA 25 Cb 0.94 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2kcv h ALA 25 CO 0.07 0.57 0.15 1.25 0.00 0.00 0.00 179.25 181.30 2kcv h LEU 26 N 0.83 0.76 -0.38 0.00 5.85 -0.53 -1.70 115.31 120.14 2kcv h LEU 26 Ca 0.14 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.69 2kcv h LEU 26 Cb 0.59 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 2kcv h LEU 26 CO 0.04 0.77 0.16 0.00 -0.34 0.00 0.00 178.44 179.06 2kcv h ALA 27 N 1.02 0.46 -0.36 1.25 0.00 -1.31 -1.13 119.26 119.18 2kcv h ALA 27 Ca 0.17 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 2kcv h ALA 27 Cb 0.29 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2kcv h ALA 27 CO -0.00 -0.23 -0.20 -0.07 0.00 0.00 0.00 179.25 178.75 2kcv h LEU 28 N 0.33 0.69 -0.22 0.00 3.38 -1.11 0.84 115.31 119.22 2kcv h LEU 28 Ca 0.17 -0.23 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 2kcv h LEU 28 Cb 0.12 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2kcv h LEU 28 CO -0.15 0.89 -0.28 -0.26 0.09 0.00 0.00 178.44 178.73 2kcv h PHE 29 N 0.61 0.70 0.00 1.13 0.04 -1.20 -0.78 116.94 117.45 2kcv h PHE 29 Ca 0.09 -0.22 -0.06 0.00 2.80 0.00 0.00 57.97 60.58 2kcv h PHE 29 Cb 0.67 -0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 2kcv h PHE 29 CO 0.03 0.94 -0.27 0.93 -0.60 0.00 0.00 178.31 179.34 2kcv h GLU 30 N 0.26 0.00 -0.08 1.51 5.08 -1.13 -1.98 114.58 118.25 2kcv h GLU 30 Ca 0.03 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.18 2kcv h GLU 30 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2kcv h GLU 30 CO 0.07 0.27 -0.80 1.49 -1.00 0.00 0.00 179.01 179.04 2kcv h GLU 31 N 0.00 0.54 -0.07 2.33 4.81 -0.73 -2.78 114.58 118.67 2kcv h GLU 31 Ca -0.00 -0.46 0.01 0.00 -0.13 0.00 0.00 59.36 58.78 2kcv h GLU 31 Cb 0.58 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 2kcv h GLU 31 CO 0.03 1.09 -0.01 -0.07 -0.73 0.00 0.00 179.01 179.33 2kcv h LEU 32 N 0.35 -0.04 -0.16 1.64 3.38 -0.77 -2.10 115.31 117.60 2kcv h LEU 32 Ca -0.05 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2kcv h LEU 32 Cb 1.40 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 42.15 2kcv h LEU 32 CO 0.15 -0.01 -0.04 0.58 0.09 0.00 0.00 178.44 179.20 2kcv h VAL 33 N 0.01 0.83 -0.15 1.22 2.07 -1.34 0.41 116.25 119.30 2kcv h VAL 33 Ca 0.03 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.50 2kcv h VAL 33 Cb 0.04 0.83 -0.00 0.00 -1.52 0.00 0.00 31.29 30.64 2kcv h VAL 33 CO -0.06 0.00 -0.12 1.05 0.02 0.00 0.00 177.57 178.45 2kcv h GLU 34 N -0.00 0.35 0.11 1.57 4.11 -1.51 -3.00 114.58 116.21 2kcv h GLU 34 Ca 0.08 -0.18 -0.28 0.00 0.07 0.00 0.00 59.36 59.05 2kcv h GLU 34 Cb 0.12 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 2kcv h GLU 34 CO -0.17 0.72 -1.36 1.79 0.07 0.00 0.00 179.01 180.05 2kcv h THR 35 N -0.01 1.35 -2.49 -1.06 1.35 -1.38 -3.41 112.91 107.25 2kcv h THR 35 Ca 0.03 -2.97 -0.59 0.00 -0.55 0.00 0.00 66.41 62.33 2kcv h THR 35 Cb 0.64 2.84 -0.39 0.00 -1.73 0.00 0.00 68.15 69.51 2kcv h THR 35 CO 0.03 0.85 -0.91 -0.62 -0.25 0.00 0.00 175.52 174.63 2kcv s ASP 36 N -7.00 2.09 0.43 5.36 -1.08 0.13 -4.98 116.67 111.62 2kcv s ASP 36 Ca -0.06 -2.95 0.30 0.00 -0.52 0.00 0.00 52.55 49.32 2kcv s ASP 36 Cb 0.07 -0.55 1.48 0.00 -1.46 0.00 0.00 42.92 42.45 2kcv s ASP 36 CO 0.86 -0.19 1.91 -0.65 0.52 0.00 0.00 175.17 177.62 2kcv h PRO 37 N 5.92 0.00 -0.02 4.34 0.11 -1.64 -2.96 132.00 137.75 2kcv h PRO 37 Ca 0.21 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.19 2kcv h PRO 37 Cb 0.91 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 2kcv h PRO 37 CO 0.38 0.00 -0.57 -0.44 -0.21 0.00 0.00 178.00 177.16 2kcv h ASP 38 N 0.00 0.08 -0.91 -2.05 3.32 -1.89 -3.42 116.42 111.55 2kcv h ASP 38 Ca 0.00 -0.05 -0.32 0.00 0.02 0.00 0.00 57.03 56.68 2kcv h ASP 38 Cb 0.18 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 2kcv h ASP 38 CO 0.00 0.64 0.82 -0.47 -1.72 0.00 0.00 179.24 178.51 2kcv s TYR 39 N -3.75 1.77 0.34 4.55 6.14 -1.12 -4.75 117.35 120.53 2kcv s TYR 39 Ca -0.02 0.69 0.09 0.00 0.64 0.00 0.00 57.07 58.47 2kcv s TYR 39 Cb 0.13 -4.04 0.60 0.00 0.42 0.00 0.00 41.96 39.07 2kcv s TYR 39 CO 0.77 -1.84 1.78 0.28 0.64 0.00 0.00 175.55 177.18 2kcv h VAL 40 N 7.21 1.27 0.00 3.14 2.07 -1.90 -2.97 116.25 125.07 2kcv h VAL 40 Ca 0.04 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.25 2kcv h VAL 40 Cb 1.03 1.60 -0.00 0.00 -1.52 0.00 0.00 31.29 32.40 2kcv h VAL 40 CO 1.21 0.39 -0.01 1.23 0.02 0.00 0.00 177.57 180.41 2kcv h GLY 41 N 1.10 0.00 0.74 2.17 0.00 -1.98 -2.01 103.07 103.09 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 0.05 0.00 -0.38 -0.84 0.00 0.00 0.00 176.54 175.37 2kcv h THR 42 N 0.00 0.22 -0.81 4.70 2.02 -1.92 -3.25 112.91 113.88 2kcv h THR 42 Ca -0.00 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.19 2kcv h THR 42 Cb 0.01 0.22 -0.04 0.00 -1.74 0.00 0.00 68.15 66.60 2kcv h THR 42 CO 0.00 0.00 0.53 1.88 0.37 0.00 0.00 175.52 178.30 2kcv h TYR 43 N -0.88 1.00 0.73 3.16 0.05 -1.52 0.14 116.97 119.66 2kcv h TYR 43 Ca -0.06 0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.72 2kcv h TYR 43 Cb 0.74 -0.34 -0.01 0.00 1.01 0.00 0.00 36.73 38.14 2kcv h TYR 43 CO -0.15 0.62 -0.49 -0.92 -1.05 0.00 0.00 178.16 176.17 2kcv h TYR 44 N 1.07 -1.32 0.00 4.88 3.20 -1.68 -1.13 116.97 121.99 2kcv h TYR 44 Ca 0.30 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.09 2kcv h TYR 44 Cb -0.09 0.48 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 2kcv h TYR 44 CO -0.02 -0.72 -0.37 0.45 -1.64 0.00 0.00 178.16 175.86 2kcv h HIS 45 N -1.16 0.00 -0.11 -3.82 3.86 -1.44 -1.84 115.15 110.63 2kcv h HIS 45 Ca -0.10 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.90 2kcv h HIS 45 Cb 0.95 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.42 2kcv h HIS 45 CO -0.14 0.37 -0.81 1.25 0.86 0.00 0.00 177.93 179.47 2kcv h LEU 46 N 0.00 0.79 -0.63 2.43 5.85 -0.77 -2.44 115.31 120.55 2kcv h LEU 46 Ca -0.00 -0.54 -0.10 0.00 0.84 0.00 0.00 57.88 58.08 2kcv h LEU 46 Cb 0.67 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.44 2kcv h LEU 46 CO 0.05 1.32 -0.00 1.23 -0.34 0.00 0.00 178.44 180.70 2kcv h GLY 47 N 0.79 1.16 1.07 3.75 0.00 -0.82 -0.45 103.07 108.57 2kcv h GLY 47 Ca -0.06 -0.85 -0.04 0.00 0.00 0.00 0.00 47.33 46.38 2kcv h GLY 47 CO 0.16 0.79 0.35 0.50 0.00 0.00 0.00 176.54 178.33 2kcv h LYS 48 N 0.98 1.19 -0.47 4.80 1.79 -1.34 -1.23 116.57 122.29 2kcv h LYS 48 Ca 0.17 -0.20 -0.09 0.00 -2.18 0.00 0.00 60.65 58.36 2kcv h LYS 48 Cb 0.56 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.99 2kcv h LYS 48 CO 0.03 0.94 -0.05 1.25 -1.08 0.00 0.00 179.45 180.55 2kcv h LEU 49 N 1.17 0.85 -0.34 2.94 5.85 -1.26 -2.71 115.31 121.82 2kcv h LEU 49 Ca 0.27 -0.33 0.05 0.00 0.84 0.00 0.00 57.88 58.72 2kcv h LEU 49 Cb 0.18 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 2kcv h LEU 49 CO -0.03 0.98 0.04 1.88 -0.34 0.00 0.00 178.44 180.97 2kcv h TYR 50 N 0.71 0.06 -0.82 1.25 0.05 -0.70 -1.02 116.97 116.49 2kcv h TYR 50 Ca 0.13 0.02 0.06 0.00 0.05 0.00 0.00 58.73 58.99 2kcv h TYR 50 Cb 0.57 0.03 -0.05 0.00 1.01 0.00 0.00 36.73 38.29 2kcv h TYR 50 CO 0.04 -0.01 0.54 0.93 -1.05 0.00 0.00 178.16 178.61 2kcv h GLU 51 N 0.15 0.90 -0.17 4.88 5.08 -1.14 0.20 114.58 124.47 2kcv h GLU 51 Ca 0.16 -0.05 -0.12 0.00 -1.00 0.00 0.00 59.36 58.35 2kcv h GLU 51 Cb 0.20 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 2kcv h GLU 51 CO -0.24 0.59 -0.39 0.00 -1.00 0.00 0.00 179.01 177.98 2kcv h ARG 52 N 0.93 0.38 -0.47 2.33 3.08 -1.10 -2.77 114.38 116.75 2kcv h ARG 52 Ca 0.35 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 60.22 2kcv h ARG 52 Cb 0.19 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.23 2kcv h ARG 52 CO -0.12 0.72 0.00 1.28 -1.07 0.00 0.00 179.97 180.78 2kcv n LEU 53 N -4.03 1.75 -0.80 3.04 4.77 -0.44 -4.89 117.00 116.41 2kcv n LEU 53 Ca -0.01 -0.88 -0.10 0.00 -0.03 0.00 0.00 56.01 54.98 2kcv n LEU 53 Cb 0.49 -0.31 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 2kcv n LEU 53 CO 0.43 0.34 -0.10 -0.67 -1.33 0.00 0.00 177.39 176.06 2kcv n ASP 54 N 0.20 -4.85 -2.45 -1.43 2.03 -0.92 -4.90 116.55 104.24 2kcv n ASP 54 Ca 0.08 0.26 -0.35 0.00 0.52 0.00 0.00 54.79 55.30 2kcv n ASP 54 Cb 0.34 -3.27 0.06 0.00 -0.72 0.00 0.00 41.12 37.53 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 2.80 0.12 -0.67 5.12 0.56 -4.75 116.66 117.94 2kcv n ARG 55 Ca -0.10 -3.45 0.04 0.00 -1.93 0.00 0.00 57.85 52.41 2kcv n ARG 55 Cb 0.44 -2.28 0.46 0.00 -1.16 0.00 0.00 32.46 29.92 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 1.11 -0.47 0.55 2.02 -1.82 -0.60 112.91 115.08 2kcv h THR 56 Ca 0.57 -0.39 -0.10 0.00 0.77 0.00 0.00 66.41 67.26 2kcv h THR 56 Cb 0.69 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.01 2kcv h THR 56 CO 1.47 0.14 -0.11 -0.78 0.37 0.00 0.00 175.52 176.61 2kcv h ASP 57 N 0.28 0.91 0.07 4.18 3.58 -1.91 -2.69 116.42 120.83 2kcv h ASP 57 Ca 0.07 -0.36 -0.06 0.00 0.42 0.00 0.00 57.03 57.09 2kcv h ASP 57 Cb 0.14 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 40.93 2kcv h ASP 57 CO -0.00 1.06 -0.19 0.44 -2.88 0.00 0.00 179.24 177.67 2kcv h ASP 58 N 0.75 0.24 -0.67 2.28 5.19 -1.65 -2.27 116.42 120.28 2kcv h ASP 58 Ca 0.12 -0.06 0.01 0.00 -0.62 0.00 0.00 57.03 56.48 2kcv h ASP 58 Cb 0.66 -0.06 -0.04 0.00 0.18 0.00 0.00 39.33 40.07 2kcv h ASP 58 CO 0.05 0.45 0.44 0.00 -3.12 0.00 0.00 179.24 177.05 2kcv h ALA 59 N 1.58 0.86 -0.77 3.45 0.00 -0.96 -1.83 119.26 121.58 2kcv h ALA 59 Ca 0.04 -0.04 0.05 0.00 0.00 0.00 0.00 54.91 54.96 2kcv h ALA 59 Cb 0.48 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2kcv h ALA 59 CO 0.03 0.26 0.48 0.82 0.00 0.00 0.00 179.25 180.83 2kcv h ILE 60 N 0.89 1.06 -0.58 0.00 1.08 -1.08 -0.21 117.51 118.67 2kcv h ILE 60 Ca 0.25 -0.31 -0.08 0.00 -0.39 0.00 0.00 64.86 64.33 2kcv h ILE 60 Cb -0.08 0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 33.73 2kcv h ILE 60 CO -0.06 0.16 0.05 -0.78 -0.69 0.00 0.00 178.15 176.83 2kcv h ASP 61 N 0.90 0.96 -0.68 1.72 3.58 -1.34 -1.00 116.42 120.55 2kcv h ASP 61 Ca 0.32 -0.28 -0.06 0.00 0.42 0.00 0.00 57.03 57.43 2kcv h ASP 61 Cb 0.09 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 40.86 2kcv h ASP 61 CO -0.14 1.00 0.20 0.74 -2.88 0.00 0.00 179.24 178.16 2kcv h THR 62 N 0.88 1.26 -0.29 2.25 2.02 -0.61 -0.95 112.91 117.47 2kcv h THR 62 Ca 0.17 -0.90 -0.07 0.00 0.77 0.00 0.00 66.41 66.38 2kcv h THR 62 Cb 0.48 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2kcv h THR 62 CO 0.02 0.35 -0.09 1.88 0.37 0.00 0.00 175.52 178.04 2kcv h TYR 63 N 1.01 0.65 -0.24 3.16 0.05 -0.95 -1.22 116.97 119.43 2kcv h TYR 63 Ca 0.22 -0.15 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 2kcv h TYR 63 Cb 0.32 -0.16 -0.01 0.00 1.01 0.00 0.00 36.73 37.89 2kcv h TYR 63 CO 0.02 0.79 0.09 0.00 -1.05 0.00 0.00 178.16 178.01 2kcv h ALA 64 N 0.77 0.32 -0.91 3.88 0.00 -1.05 0.17 119.26 122.44 2kcv h ALA 64 Ca 0.07 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2kcv h ALA 64 Cb 0.59 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.24 2kcv h ALA 64 CO 0.03 -0.08 0.51 0.37 0.00 0.00 0.00 179.25 180.08 2kcv h GLN 65 N 0.24 1.27 -0.51 0.00 -0.00 -1.23 -2.02 115.11 112.86 2kcv h GLN 65 Ca 0.08 -0.14 -0.04 0.00 -0.00 0.00 0.00 58.65 58.55 2kcv h GLN 65 Cb 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 27.48 27.40 2kcv h GLN 65 CO -0.01 0.92 0.15 0.78 0.00 0.00 0.00 178.83 180.67 2kcv h GLY 66 N 1.28 0.81 1.42 2.39 0.00 -0.84 -3.17 103.07 104.97 2kcv h GLY 66 Ca 0.32 -0.44 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 2kcv h GLY 66 CO -0.05 0.41 0.24 -2.22 0.00 0.00 0.00 176.54 174.92 2kcv h ILE 67 N 0.74 1.18 -0.02 2.60 2.04 0.10 0.47 117.51 124.63 2kcv h ILE 67 Ca 0.17 -0.53 0.01 0.00 1.00 0.00 0.00 64.86 65.50 2kcv h ILE 67 Cb 0.23 0.52 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 2kcv h ILE 67 CO -0.01 0.22 -0.03 -0.33 0.00 0.00 0.00 178.15 178.00 2kcv h GLU 68 N 0.75 -0.05 0.00 2.37 4.39 -1.51 -2.75 114.58 117.78 2kcv h GLU 68 Ca 0.19 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.89 2kcv h GLU 68 Cb 0.10 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2kcv h GLU 68 CO -0.02 -0.03 -0.23 -0.39 -1.16 0.00 0.00 179.01 177.18 2kcv h VAL 69 N -0.05 0.00 -0.10 3.13 -1.51 -1.49 -3.30 116.25 112.92 2kcv h VAL 69 Ca 0.02 -0.98 -0.14 0.00 -1.23 0.00 0.00 66.70 64.36 2kcv h VAL 69 Cb 0.08 1.87 0.01 0.00 -2.13 0.00 0.00 31.29 31.11 2kcv h VAL 69 CO -0.05 0.00 -0.50 0.00 -1.23 0.00 0.00 177.57 175.79 2kcv h ALA 70 N 2.02 0.19 -0.25 5.19 0.00 0.11 0.69 119.26 127.20 2kcv h ALA 70 Ca 0.00 -0.51 -0.16 0.00 0.00 0.00 0.00 54.91 54.24 2kcv h ALA 70 Cb 0.99 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2kcv h ALA 70 CO 0.00 0.38 -0.50 0.07 0.00 0.00 0.00 179.25 179.19 2kcv h ARG 71 N 0.11 0.70 0.00 0.00 0.11 -1.63 -2.68 114.38 110.99 2kcv h ARG 71 Ca -0.03 -0.42 -0.12 0.00 0.10 0.00 0.00 59.98 59.51 2kcv h ARG 71 Cb 1.15 0.04 -0.02 0.00 1.11 0.00 0.00 29.97 32.25 2kcv h ARG 71 CO 0.10 1.04 -0.82 0.93 0.10 0.00 0.00 179.97 181.32 2kcv h GLU 72 N 0.55 0.00 0.08 0.08 5.08 -1.64 -3.42 114.58 115.31 2kcv h GLU 72 Ca 0.02 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.07 2kcv h GLU 72 Cb 1.07 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2kcv h GLU 72 CO 0.10 0.60 -1.67 0.93 -1.00 0.00 0.00 179.01 177.98 2kcv h GLU 73 N -1.00 0.16 0.00 2.33 4.39 -1.07 -3.47 114.58 115.92 2kcv h GLU 73 Ca -0.18 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2kcv h GLU 73 Cb 0.93 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 2kcv h GLU 73 CO -0.11 0.94 0.00 0.41 -1.16 0.00 0.00 179.01 179.09 2kcv n GLY 74 N 1.69 1.89 4.01 -3.84 0.00 -0.93 -5.01 105.19 103.00 2kcv n GLY 74 Ca -0.19 -2.07 -0.19 0.00 0.00 0.00 0.00 46.02 43.56 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 1.58 2.59 0.39 2.61 -4.23 -1.17 -4.60 115.64 112.81 2kcv s THR 75 Ca 0.00 -0.90 0.34 0.00 -1.18 0.00 0.00 61.69 59.95 2kcv s THR 75 Cb 0.00 -2.69 0.36 0.00 1.34 0.00 0.00 72.50 71.52 2kcv s THR 75 CO 0.00 0.00 2.13 -0.61 -0.54 0.00 0.00 174.62 175.60 2kcv h GLN 76 N 0.28 0.00 0.02 3.99 4.15 -1.88 -1.92 115.11 119.76 2kcv h GLN 76 Ca -0.37 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.05 2kcv h GLN 76 Cb 1.28 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.97 2kcv h GLN 76 CO 0.44 0.05 -0.01 -0.22 -1.93 0.00 0.00 178.83 177.17 2kcv h LYS 77 N 0.00 -0.03 -0.69 1.69 3.11 -1.94 -0.27 116.57 118.44 2kcv h LYS 77 Ca -0.00 0.00 -0.06 0.00 -2.81 0.00 0.00 60.65 57.79 2kcv h LYS 77 Cb 0.30 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.51 2kcv h LYS 77 CO 0.01 0.08 0.22 -0.44 -2.81 0.00 0.00 179.45 176.50 2kcv h ASP 78 N -0.13 1.01 -0.19 4.20 3.32 -1.71 -1.74 116.42 121.18 2kcv h ASP 78 Ca -0.00 -0.21 0.01 0.00 0.02 0.00 0.00 57.03 56.85 2kcv h ASP 78 Cb 0.12 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 2kcv h ASP 78 CO 0.01 0.95 0.09 0.25 -1.72 0.00 0.00 179.24 178.82 2kcv h LEU 79 N 1.01 0.14 -1.23 1.55 5.85 -1.36 -2.70 115.31 118.57 2kcv h LEU 79 Ca 0.22 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.90 2kcv h LEU 79 Cb 0.30 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2kcv h LEU 79 CO -0.01 0.11 0.02 -1.28 -0.34 0.00 0.00 178.44 176.94 2kcv h SER 80 N 0.20 0.50 -0.07 1.25 0.87 -0.70 -1.56 113.55 114.05 2kcv h SER 80 Ca 0.08 -0.09 -0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2kcv h SER 80 Cb 0.01 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.84 2kcv h SER 80 CO -0.05 0.56 0.03 -0.33 -0.53 0.00 0.00 176.83 176.51 2kcv h GLU 81 N 0.52 0.10 -0.11 2.24 4.39 -1.16 -1.89 114.58 118.66 2kcv h GLU 81 Ca 0.11 -0.02 -0.18 0.00 0.34 0.00 0.00 59.36 59.61 2kcv h GLU 81 Cb 0.31 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.94 2kcv h GLU 81 CO 0.01 0.19 -0.70 -0.07 -1.16 0.00 0.00 179.01 177.29 2kcv h LEU 82 N -0.02 0.58 -0.40 1.33 3.38 -1.16 -0.51 115.31 118.50 2kcv h LEU 82 Ca 0.02 -0.36 -0.11 0.00 0.09 0.00 0.00 57.88 57.51 2kcv h LEU 82 Cb 0.13 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2kcv h LEU 82 CO -0.00 1.11 -0.20 1.56 0.09 0.00 0.00 178.44 181.00 2kcv h GLN 83 N 0.35 0.84 -0.30 1.13 4.20 -1.34 -1.84 115.11 118.15 2kcv h GLN 83 Ca -0.03 -0.37 -0.17 0.00 0.06 0.00 0.00 58.65 58.14 2kcv h GLN 83 Cb 1.27 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 29.02 2kcv h GLN 83 CO 0.13 1.01 -0.49 0.22 -0.67 0.00 0.00 178.83 179.02 2kcv h ASP 84 N 0.66 0.91 -0.46 1.46 3.58 -1.30 -2.80 116.42 118.46 2kcv h ASP 84 Ca 0.09 -0.46 -0.08 0.00 0.42 0.00 0.00 57.03 57.00 2kcv h ASP 84 Cb 0.75 -0.26 -0.02 0.00 1.72 0.00 0.00 39.33 41.53 2kcv h ASP 84 CO 0.06 1.24 -0.01 0.00 -2.88 0.00 0.00 179.24 177.65 2kcv h ALA 85 N 0.79 0.62 -0.27 -0.78 0.00 -1.05 -2.84 119.26 115.72 2kcv h ALA 85 Ca 0.03 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.58 2kcv h ALA 85 Cb 1.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2kcv h ALA 85 CO 0.11 0.43 -0.13 1.57 0.00 0.00 0.00 179.25 181.23 2kcv h LYS 86 N 0.67 0.57 -0.60 0.00 2.10 -1.38 -2.68 116.57 115.25 2kcv h LYS 86 Ca 0.13 -0.25 -0.05 0.00 -2.00 0.00 0.00 60.65 58.48 2kcv h LYS 86 Cb 0.52 -0.02 -0.03 0.00 -0.90 0.00 0.00 32.23 31.80 2kcv h LYS 86 CO 0.03 0.81 0.16 1.37 -2.00 0.00 0.00 179.45 179.81 2kcv h LEU 87 N 0.31 0.86 -0.35 7.07 8.10 -1.46 0.12 115.31 129.95 2kcv h LEU 87 Ca 0.06 -0.16 -0.19 0.00 0.11 0.00 0.00 57.88 57.71 2kcv h LEU 87 Cb 0.64 -0.22 -0.00 0.00 -0.44 0.00 0.00 40.66 40.64 2kcv h LEU 87 CO 0.04 0.83 -0.67 0.07 -4.11 0.00 0.00 178.44 174.60 2kcv h LYS 88 N 0.88 0.62 -0.01 0.17 5.09 -1.57 -1.90 116.57 119.85 2kcv h LYS 88 Ca 0.19 -0.46 -0.13 0.00 0.09 0.00 0.00 60.65 60.35 2kcv h LYS 88 Cb 0.30 0.08 -0.02 0.00 0.10 0.00 0.00 32.23 32.69 2kcv h LYS 88 CO -0.00 1.08 -0.61 0.00 -2.09 0.00 0.00 179.45 177.83 2kcv h ALA 89 N 0.81 0.97 0.00 0.07 0.00 -1.08 -1.86 119.26 118.17 2kcv h ALA 89 Ca -0.02 -0.55 -0.10 0.00 0.00 0.00 0.00 54.91 54.24 2kcv h ALA 89 Cb 1.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2kcv h ALA 89 CO 0.13 0.75 -0.49 0.93 0.00 0.00 0.00 179.25 180.57 2kcv h GLU 90 N 0.03 0.00 0.00 0.00 5.08 -0.75 -2.41 114.58 116.53 2kcv h GLU 90 Ca -0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 2kcv h GLU 90 Cb 1.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 2kcv h GLU 90 CO 0.08 0.49 -0.26 0.78 -1.00 0.00 0.00 179.01 179.10 2kcv h GLY 91 N 1.61 0.00 0.29 -3.84 0.00 -0.69 -1.77 103.07 98.67 2kcv h GLY 91 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 2kcv h GLY 91 CO 0.06 0.00 -0.07 1.41 0.00 0.00 0.00 176.54 177.94 2kcv h LEU 92 N 0.00 0.06 -4.50 3.11 3.38 -1.10 -3.31 115.31 112.96 2kcv h LEU 92 Ca -0.00 -0.77 -0.69 0.00 0.09 0.00 0.00 57.88 56.51 2kcv h LEU 92 Cb 0.85 -0.02 -0.26 0.00 0.09 0.00 0.00 40.66 41.32 2kcv h LEU 92 CO 0.03 0.83 0.90 -0.62 0.09 0.00 0.00 178.44 179.68 2kcv n GLU 93 N -4.66 2.64 -2.38 1.13 -0.58 -0.93 -5.02 120.64 110.85 2kcv n GLU 93 Ca -0.09 -3.22 -0.41 0.00 -0.42 0.00 0.00 57.16 53.02 2kcv n GLU 93 Cb 0.41 -2.23 -0.04 0.00 -0.57 0.00 0.00 31.44 29.02 2kcv n GLU 93 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 2kcv s HIS 94 N -3.65 3.43 -0.19 -0.32 2.46 -0.67 -4.91 115.29 111.44 2kcv s HIS 94 Ca 0.56 1.54 -0.27 0.00 0.47 0.00 0.00 55.06 57.36 2kcv s HIS 94 Cb 0.45 -3.41 0.09 0.00 -0.13 0.00 0.00 32.58 29.58 2kcv s HIS 94 CO -0.23 -1.02 0.81 -1.58 -2.47 0.00 0.00 174.74 170.25 2kcv s HIS 95 N -0.72 -0.63 -0.08 3.88 5.04 -1.26 -5.05 115.29 116.46 2kcv s HIS 95 Ca 0.48 1.36 0.00 0.00 -1.54 0.00 0.00 55.06 55.36 2kcv s HIS 95 Cb -0.33 0.35 0.00 0.00 0.04 0.00 0.00 32.58 32.64 2kcv s HIS 95 CO 0.41 -0.41 0.96 -2.39 -2.34 0.00 0.00 174.74 170.97 2kcv n HIS 96 N 1.80 0.00 -2.10 3.88 1.44 -1.26 -1.69 115.22 117.28 2kcv n HIS 96 Ca -0.15 -0.46 -0.04 0.00 -2.01 0.00 0.00 57.72 55.07 2kcv n HIS 96 Cb 0.56 -0.24 -0.04 0.00 0.12 0.00 0.00 29.99 30.39 2kcv n HIS 96 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kcv n HIS 97 N 0.46 0.00 -1.95 -1.40 -0.00 -1.26 -4.91 115.22 106.15 2kcv n HIS 97 Ca 0.00 -0.44 0.00 0.00 -0.00 0.00 0.00 57.72 57.28 2kcv n HIS 97 Cb 0.48 0.33 0.00 0.00 -0.00 0.00 0.00 29.99 30.80 2kcv n HIS 97 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2kcv n HIS 98 N 0.10 0.00 -0.62 1.57 -0.00 -0.68 -5.25 115.22 110.35 2kcv n HIS 98 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.54 2kcv n HIS 98 Cb 0.77 0.11 0.00 0.00 -0.00 0.00 0.00 29.99 30.88 2kcv n HIS 98 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06