#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 3.09 -0.01 1.62 1.11 -1.26 -5.04 116.67 116.18 2kcv s ASP 2 Ca 0.00 -0.74 0.00 0.00 0.18 0.00 0.00 52.55 51.99 2kcv s ASP 2 Cb 0.00 -0.20 0.03 0.00 1.07 0.00 0.00 42.92 43.82 2kcv s ASP 2 CO 0.00 0.14 0.84 -0.81 1.18 0.00 0.00 175.17 176.52 2kcv n PRO 3 N 0.92 1.09 0.24 8.23 -0.04 -1.26 -4.28 135.00 139.90 2kcv n PRO 3 Ca -0.18 -0.12 0.08 0.00 -0.04 0.00 0.00 63.50 63.24 2kcv n PRO 3 Cb 0.53 -1.24 0.60 0.00 -0.04 0.00 0.00 33.50 33.35 2kcv n PRO 3 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2kcv h GLU 4 N 0.09 0.00 -6.83 0.54 5.08 -1.96 -2.97 114.58 108.53 2kcv h GLU 4 Ca 0.01 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.85 2kcv h GLU 4 Cb 0.86 0.00 0.07 0.00 0.50 0.00 0.00 28.75 30.19 2kcv h GLU 4 CO 0.03 0.15 0.75 -0.51 -1.00 0.00 0.00 179.01 178.43 2kcv s ASP 5 N -6.72 6.57 0.18 1.42 1.11 -1.26 -4.89 116.67 113.08 2kcv s ASP 5 Ca -0.04 2.80 -0.16 0.00 0.18 0.00 0.00 52.55 55.33 2kcv s ASP 5 Cb 0.15 -2.64 0.14 0.00 1.07 0.00 0.00 42.92 41.64 2kcv s ASP 5 CO 0.66 -0.73 1.65 -0.65 1.18 0.00 0.00 175.17 177.28 2kcv h PRO 6 N 4.18 -0.00 -0.49 8.23 0.11 -2.00 -1.59 132.00 140.45 2kcv h PRO 6 Ca -0.48 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 2kcv h PRO 6 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2kcv h PRO 6 CO 0.72 -0.00 0.11 0.35 -0.21 0.00 0.00 178.00 178.97 2kcv h PHE 7 N -0.00 0.76 -0.09 0.65 3.57 -1.93 -2.01 116.94 117.89 2kcv h PHE 7 Ca 0.23 -0.07 -0.14 0.00 3.53 0.00 0.00 57.97 61.52 2kcv h PHE 7 Cb 0.35 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 38.87 2kcv h PHE 7 CO -0.41 0.66 -0.50 1.15 -2.23 0.00 0.00 178.31 176.97 2kcv h THR 8 N 0.72 1.37 0.00 4.41 2.02 -1.59 -0.44 112.91 119.40 2kcv h THR 8 Ca 0.16 -1.84 -0.09 0.00 0.77 0.00 0.00 66.41 65.41 2kcv h THR 8 Cb 0.28 2.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.90 2kcv h THR 8 CO -0.00 0.55 -0.42 0.08 0.37 0.00 0.00 175.52 176.10 2kcv h ARG 9 N 0.10 0.00 -0.00 6.66 0.11 -1.22 -0.23 114.38 119.79 2kcv h ARG 9 Ca -0.04 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.04 2kcv h ARG 9 Cb 1.15 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.23 2kcv h ARG 9 CO 0.10 0.42 0.00 -0.92 0.10 0.00 0.00 179.97 179.67 2kcv h TYR 10 N 0.00 0.00 -0.25 4.08 3.20 -1.28 0.31 116.97 123.03 2kcv h TYR 10 Ca -0.00 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.77 2kcv h TYR 10 Cb 0.99 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 2kcv h TYR 10 CO 0.00 0.25 -0.26 0.00 -1.64 0.00 0.00 178.16 176.51 2kcv h ALA 11 N 0.75 1.08 -0.22 1.82 0.00 -0.98 -2.05 119.26 119.65 2kcv h ALA 11 Ca 0.00 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.44 2kcv h ALA 11 Cb 0.25 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2kcv h ALA 11 CO 0.00 0.57 -0.37 1.25 0.00 0.00 0.00 179.25 180.69 2kcv h LEU 12 N 0.43 0.52 -0.58 0.00 5.85 -1.02 -1.51 115.31 119.01 2kcv h LEU 12 Ca 0.06 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.51 2kcv h LEU 12 Cb 0.69 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 2kcv h LEU 12 CO 0.05 0.85 0.14 0.00 -0.34 0.00 0.00 178.44 179.14 2kcv h ALA 13 N 1.18 0.76 -0.03 1.25 0.00 -0.59 -0.18 119.26 121.66 2kcv h ALA 13 Ca 0.04 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2kcv h ALA 13 Cb 0.84 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2kcv h ALA 13 CO 0.07 0.47 -0.24 1.96 0.00 0.00 0.00 179.25 181.51 2kcv h GLN 14 N 0.83 0.06 -0.26 0.00 4.20 -1.17 -0.84 115.11 117.93 2kcv h GLN 14 Ca 0.18 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.79 2kcv h GLN 14 Cb 0.35 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 2kcv h GLN 14 CO 0.00 0.30 -0.16 0.93 -0.67 0.00 0.00 178.83 179.22 2kcv h GLU 15 N 0.05 0.56 -0.22 1.46 4.39 -0.81 -3.05 114.58 116.97 2kcv h GLU 15 Ca 0.01 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.42 2kcv h GLU 15 Cb 0.45 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.08 2kcv h GLU 15 CO 0.03 0.84 0.03 0.45 -1.16 0.00 0.00 179.01 179.20 2kcv h HIS 16 N 0.28 0.31 0.26 4.33 3.86 -0.36 -0.18 115.15 123.65 2kcv h HIS 16 Ca 0.05 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 2kcv h HIS 16 Cb 0.69 -0.10 -0.01 0.00 1.06 0.00 0.00 27.41 29.05 2kcv h HIS 16 CO 0.07 0.30 -0.20 -0.07 0.86 0.00 0.00 177.93 178.88 2kcv h LEU 17 N 0.31 -0.53 -0.77 2.43 3.38 -1.15 0.23 115.31 119.22 2kcv h LEU 17 Ca 0.08 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2kcv h LEU 17 Cb 0.16 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2kcv h LEU 17 CO -0.00 -0.31 0.00 0.07 0.09 0.00 0.00 178.44 178.29 2kcv h LYS 18 N -0.47 0.00 -0.72 1.13 2.10 -1.37 -2.39 116.57 114.85 2kcv h LYS 18 Ca -0.02 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2kcv h LYS 18 Cb 0.42 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.75 2kcv h LYS 18 CO -0.01 0.00 0.00 0.72 -2.00 0.00 0.00 179.45 178.16 2kcv n HIS 19 N -2.87 1.14 -0.04 0.07 8.25 -0.11 -4.93 115.22 116.74 2kcv n HIS 19 Ca 0.02 -0.41 0.00 0.00 -0.26 0.00 0.00 57.72 57.08 2kcv n HIS 19 Cb 0.37 -0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.18 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 0.40 0.00 -3.31 0.41 2.03 -0.90 -4.88 116.55 110.30 2kcv n ASP 20 Ca 0.16 0.00 -0.38 0.00 0.52 0.00 0.00 54.79 55.09 2kcv n ASP 20 Cb 0.75 -0.38 -0.02 0.00 -0.72 0.00 0.00 41.12 40.75 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 8.17 -0.07 1.67 5.03 0.79 -4.65 115.26 126.20 2kcv n ASN 21 Ca 0.00 -2.89 -0.05 0.00 0.87 0.00 0.00 54.58 52.51 2kcv n ASN 21 Cb 0.00 -1.44 0.15 0.00 -1.02 0.00 0.00 39.78 37.47 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 4.62 1.04 -0.53 5.41 0.00 -1.82 -0.94 119.26 127.04 2kcv h ALA 22 Ca 0.74 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 55.29 2kcv h ALA 22 Cb 0.36 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 2kcv h ALA 22 CO 1.53 0.58 0.11 0.66 0.00 0.00 0.00 179.25 182.13 2kcv h SER 23 N 0.65 0.77 0.17 0.00 4.64 -1.93 0.12 113.55 117.97 2kcv h SER 23 Ca 0.11 -0.14 -0.23 0.00 -0.47 0.00 0.00 61.79 61.06 2kcv h SER 23 Cb 0.58 -0.20 0.01 0.00 -0.31 0.00 0.00 62.40 62.48 2kcv h SER 23 CO 0.04 0.76 -0.93 0.03 -0.87 0.00 0.00 176.83 175.86 2kcv h ARG 24 N 0.79 0.55 -0.23 4.77 2.47 -1.85 -2.63 114.38 118.25 2kcv h ARG 24 Ca 0.17 -0.55 -0.09 0.00 -1.26 0.00 0.00 59.98 58.24 2kcv h ARG 24 Cb 0.31 0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.77 2kcv h ARG 24 CO 0.00 1.18 -0.26 0.00 0.56 0.00 0.00 179.97 181.44 2kcv h ALA 25 N 0.64 1.12 -0.00 0.04 0.00 -1.10 -2.63 119.26 117.33 2kcv h ALA 25 Ca -0.09 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2kcv h ALA 25 Cb 1.56 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 2kcv h ALA 25 CO 0.17 0.55 0.00 1.25 0.00 0.00 0.00 179.25 181.22 2kcv h LEU 26 N 0.39 0.00 -0.75 0.00 5.85 -0.65 -1.24 115.31 118.91 2kcv h LEU 26 Ca 0.06 -0.02 0.07 0.00 0.84 0.00 0.00 57.88 58.83 2kcv h LEU 26 Cb 0.67 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.64 2kcv h LEU 26 CO 0.05 0.02 0.42 0.00 -0.34 0.00 0.00 178.44 178.60 2kcv h ALA 27 N 0.98 1.03 -0.59 1.25 0.00 -1.39 -1.04 119.26 119.49 2kcv h ALA 27 Ca 0.00 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2kcv h ALA 27 Cb 0.02 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 2kcv h ALA 27 CO -0.00 0.09 0.19 -0.07 0.00 0.00 0.00 179.25 179.46 2kcv h LEU 28 N 0.75 0.86 -0.31 0.00 3.38 -1.08 0.22 115.31 119.13 2kcv h LEU 28 Ca 0.34 -0.21 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 2kcv h LEU 28 Cb 0.25 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2kcv h LEU 28 CO -0.21 0.84 -0.17 -0.26 0.09 0.00 0.00 178.44 178.73 2kcv h PHE 29 N 0.83 0.77 -0.12 1.13 0.04 -0.93 -0.64 116.94 118.02 2kcv h PHE 29 Ca 0.19 -0.20 -0.06 0.00 2.80 0.00 0.00 57.97 60.71 2kcv h PHE 29 Cb 0.28 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.25 2kcv h PHE 29 CO 0.02 0.89 -0.19 0.93 -0.60 0.00 0.00 178.31 179.37 2kcv h GLU 30 N 0.42 0.20 -0.23 1.51 5.08 -1.15 -1.77 114.58 118.64 2kcv h GLU 30 Ca 0.07 -0.05 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 2kcv h GLU 30 Cb 0.70 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.93 2kcv h GLU 30 CO 0.05 0.39 -0.55 1.49 -1.00 0.00 0.00 179.01 179.39 2kcv h GLU 31 N 0.19 0.68 -0.81 2.33 4.81 -0.81 -2.77 114.58 118.19 2kcv h GLU 31 Ca 0.04 -0.43 -0.01 0.00 -0.13 0.00 0.00 59.36 58.83 2kcv h GLU 31 Cb 0.44 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 2kcv h GLU 31 CO 0.03 1.04 0.46 -0.07 -0.73 0.00 0.00 179.01 179.74 2kcv h LEU 32 N 0.52 0.99 0.34 1.64 3.38 -0.54 -2.35 115.31 119.29 2kcv h LEU 32 Ca 0.01 -0.07 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2kcv h LEU 32 Cb 1.11 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2kcv h LEU 32 CO 0.11 0.78 -0.16 0.58 0.09 0.00 0.00 178.44 179.84 2kcv h VAL 33 N 1.12 0.68 -0.45 1.22 2.07 -1.22 0.05 116.25 119.73 2kcv h VAL 33 Ca 0.29 -0.14 -0.09 0.00 0.82 0.00 0.00 66.70 67.58 2kcv h VAL 33 Cb -0.00 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 2kcv h VAL 33 CO -0.05 0.03 -0.07 1.05 0.02 0.00 0.00 177.57 178.54 2kcv h GLU 34 N -0.53 0.78 0.11 1.57 4.11 -1.37 -2.65 114.58 116.59 2kcv h GLU 34 Ca -0.05 -0.24 -0.34 0.00 0.07 0.00 0.00 59.36 58.80 2kcv h GLU 34 Cb 0.40 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2kcv h GLU 34 CO 0.08 0.84 -1.85 0.00 0.07 0.00 0.00 179.01 178.14 2kcv h THR 35 N 0.71 0.77 -2.64 -1.06 1.03 -1.51 -3.43 112.91 106.79 2kcv h THR 35 Ca 0.13 -2.49 -0.60 0.00 -0.01 0.00 0.00 66.41 63.43 2kcv h THR 35 Cb 0.54 2.55 -0.40 0.00 -1.07 0.00 0.00 68.15 69.78 2kcv h THR 35 CO 0.03 0.80 -0.78 0.47 -0.01 0.00 0.00 175.52 176.04 2kcv n ASP 36 N -3.40 1.45 0.00 0.00 8.00 0.01 -4.95 116.55 117.65 2kcv n ASP 36 Ca -0.26 -2.85 0.09 0.00 0.71 0.00 0.00 54.79 52.48 2kcv n ASP 36 Cb 1.05 -0.66 0.46 0.00 -0.02 0.00 0.00 41.12 41.96 2kcv n ASP 36 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 2kcv n PRO 37 N 2.18 0.27 -0.79 -0.24 -0.02 -1.00 -2.78 135.00 132.61 2kcv n PRO 37 Ca 0.25 0.11 -0.02 0.00 -2.02 0.00 0.00 63.50 61.82 2kcv n PRO 37 Cb 0.42 -1.50 0.25 0.00 -0.02 0.00 0.00 33.50 32.65 2kcv n PRO 37 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2kcv n ASP 38 N -1.28 3.75 -4.15 2.55 9.92 -1.26 -4.85 116.55 121.22 2kcv n ASP 38 Ca 0.09 -3.35 -0.38 0.00 -0.53 0.00 0.00 54.79 50.61 2kcv n ASP 38 Cb 0.14 -0.66 -0.10 0.00 -0.64 0.00 0.00 41.12 39.87 2kcv n ASP 38 CO 0.00 0.00 0.00 -0.47 0.13 0.00 0.00 177.20 176.86 2kcv s TYR 39 N -3.04 3.50 0.22 1.24 5.04 -1.12 -4.94 117.35 118.25 2kcv s TYR 39 Ca 0.48 -2.29 -0.07 0.00 -2.44 0.00 0.00 57.07 52.75 2kcv s TYR 39 Cb 0.40 -3.34 0.20 0.00 0.35 0.00 0.00 41.96 39.57 2kcv s TYR 39 CO 0.08 -0.95 1.79 0.28 -1.34 0.00 0.00 175.55 175.40 2kcv h VAL 40 N 5.93 1.26 -0.18 3.14 2.07 -1.90 -2.93 116.25 123.64 2kcv h VAL 40 Ca -0.11 -0.83 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 2kcv h VAL 40 Cb 1.03 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.15 2kcv h VAL 40 CO 0.76 0.33 0.09 1.23 0.02 0.00 0.00 177.57 180.01 2kcv h GLY 41 N 1.14 0.26 0.71 2.17 0.00 -1.99 -1.91 103.07 103.45 2kcv h GLY 41 Ca 0.25 -0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.49 2kcv h GLY 41 CO -0.02 0.10 -0.20 -0.84 0.00 0.00 0.00 176.54 175.58 2kcv h THR 42 N 0.25 0.55 -0.79 4.70 2.02 -1.91 -2.96 112.91 114.77 2kcv h THR 42 Ca 0.06 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.23 2kcv h THR 42 Cb 0.02 0.55 -0.04 0.00 -1.74 0.00 0.00 68.15 66.94 2kcv h THR 42 CO -0.01 0.00 0.43 1.88 0.37 0.00 0.00 175.52 178.19 2kcv h TYR 43 N -0.41 1.08 0.63 3.16 0.05 -1.46 0.17 116.97 120.19 2kcv h TYR 43 Ca 0.01 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.74 2kcv h TYR 43 Cb 0.41 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 2kcv h TYR 43 CO -0.17 0.76 -0.45 -0.92 -1.05 0.00 0.00 178.16 176.33 2kcv h TYR 44 N 1.09 -1.20 0.00 4.88 3.20 -1.59 -1.46 116.97 121.89 2kcv h TYR 44 Ca 0.28 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 62.06 2kcv h TYR 44 Cb 0.04 0.44 -0.01 0.00 1.54 0.00 0.00 36.73 38.74 2kcv h TYR 44 CO 0.00 -0.64 -0.39 0.45 -1.64 0.00 0.00 178.16 175.94 2kcv h HIS 45 N -1.03 0.00 -0.10 -3.82 3.86 -1.31 -0.15 115.15 112.60 2kcv h HIS 45 Ca -0.08 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.91 2kcv h HIS 45 Cb 0.84 0.00 0.01 0.00 1.06 0.00 0.00 27.41 29.32 2kcv h HIS 45 CO -0.13 0.39 -0.79 1.25 0.86 0.00 0.00 177.93 179.51 2kcv h LEU 46 N 0.00 0.86 -0.80 2.43 5.85 -0.75 -2.26 115.31 120.64 2kcv h LEU 46 Ca -0.00 -0.67 -0.13 0.00 0.84 0.00 0.00 57.88 57.92 2kcv h LEU 46 Cb 0.79 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2kcv h LEU 46 CO 0.05 1.40 -0.51 1.23 -0.34 0.00 0.00 178.44 180.27 2kcv h GLY 47 N 0.39 0.25 1.01 3.75 0.00 -0.90 -1.20 103.07 106.37 2kcv h GLY 47 Ca -0.07 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 2kcv h GLY 47 CO 0.16 0.25 0.17 0.50 0.00 0.00 0.00 176.54 177.62 2kcv h LYS 48 N 0.18 0.96 -0.53 4.80 1.79 -1.06 -1.16 116.57 121.54 2kcv h LYS 48 Ca 0.01 -0.22 -0.09 0.00 -2.18 0.00 0.00 60.65 58.17 2kcv h LYS 48 Cb 0.97 -0.13 -0.02 0.00 -1.58 0.00 0.00 32.23 31.46 2kcv h LYS 48 CO 0.08 0.86 -0.02 1.25 -1.08 0.00 0.00 179.45 180.54 2kcv h LEU 49 N 0.87 0.90 -0.53 2.94 5.85 -1.14 -2.11 115.31 122.08 2kcv h LEU 49 Ca 0.19 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2kcv h LEU 49 Cb 0.32 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 2kcv h LEU 49 CO -0.00 0.97 0.30 1.88 -0.34 0.00 0.00 178.44 181.24 2kcv h TYR 50 N 0.85 0.72 -0.79 1.25 0.05 -1.01 -1.37 116.97 116.66 2kcv h TYR 50 Ca 0.15 -0.01 0.01 0.00 0.05 0.00 0.00 58.73 58.93 2kcv h TYR 50 Cb 0.53 -0.23 -0.04 0.00 1.01 0.00 0.00 36.73 38.00 2kcv h TYR 50 CO 0.03 0.53 0.52 0.93 -1.05 0.00 0.00 178.16 179.12 2kcv h GLU 51 N 0.71 1.02 -0.54 4.88 5.08 -0.89 0.20 114.58 125.05 2kcv h GLU 51 Ca 0.19 -0.06 -0.10 0.00 -1.00 0.00 0.00 59.36 58.38 2kcv h GLU 51 Cb 0.04 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 2kcv h GLU 51 CO -0.03 0.68 -0.08 0.00 -1.00 0.00 0.00 179.01 178.58 2kcv h ARG 52 N 1.05 0.99 -0.50 2.33 3.08 -1.12 -3.02 114.38 117.19 2kcv h ARG 52 Ca 0.29 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 60.00 2kcv h ARG 52 Cb -0.09 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 29.88 2kcv h ARG 52 CO -0.07 1.02 0.00 1.28 -1.07 0.00 0.00 179.97 181.13 2kcv n LEU 53 N -4.16 1.86 -0.23 3.04 4.77 -0.54 -4.88 117.00 116.86 2kcv n LEU 53 Ca 0.02 -0.94 -0.03 0.00 -0.03 0.00 0.00 56.01 55.03 2kcv n LEU 53 Cb 0.38 -0.33 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 2kcv n LEU 53 CO 0.45 0.35 -0.03 -0.67 -1.33 0.00 0.00 177.39 176.16 2kcv n ASP 54 N 0.23 -5.29 -3.77 -1.43 2.03 -0.82 -4.91 116.55 102.59 2kcv n ASP 54 Ca 0.09 0.07 -0.42 0.00 0.52 0.00 0.00 54.79 55.05 2kcv n ASP 54 Cb 0.36 -3.06 0.00 0.00 -0.72 0.00 0.00 41.12 37.70 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 -0.34 3.99 -0.27 -0.67 5.12 0.64 -4.76 116.66 120.37 2kcv n ARG 55 Ca -0.03 -3.62 -0.06 0.00 -1.93 0.00 0.00 57.85 52.21 2kcv n ARG 55 Cb 0.42 -2.80 0.05 0.00 -1.16 0.00 0.00 32.46 28.97 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 3.37 1.26 -0.45 0.55 2.02 -1.91 -2.07 112.91 115.68 2kcv h THR 56 Ca 0.46 -0.84 0.03 0.00 0.77 0.00 0.00 66.41 66.83 2kcv h THR 56 Cb 0.53 0.42 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 2kcv h THR 56 CO 1.56 0.34 0.25 0.44 0.37 0.00 0.00 175.52 178.47 2kcv h ASP 57 N 1.07 0.38 -0.35 4.18 5.19 -1.96 -1.63 116.42 123.31 2kcv h ASP 57 Ca 0.24 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.65 2kcv h ASP 57 Cb 0.25 -0.06 -0.02 0.00 0.18 0.00 0.00 39.33 39.68 2kcv h ASP 57 CO -0.01 0.27 0.17 0.44 -3.12 0.00 0.00 179.24 176.98 2kcv h ASP 58 N 0.50 0.46 0.14 6.45 5.19 -1.95 -3.06 116.42 124.15 2kcv h ASP 58 Ca 0.19 -0.13 0.01 0.00 -0.62 0.00 0.00 57.03 56.48 2kcv h ASP 58 Cb 0.06 -0.12 -0.02 0.00 0.18 0.00 0.00 39.33 39.43 2kcv h ASP 58 CO -0.11 0.46 -0.18 0.00 -3.12 0.00 0.00 179.24 176.29 2kcv h ALA 59 N 1.02 -0.33 -0.88 3.45 0.00 -0.72 -1.26 119.26 120.53 2kcv h ALA 59 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 2kcv h ALA 59 Cb 0.12 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 2kcv h ALA 59 CO -0.01 -0.72 0.50 0.82 0.00 0.00 0.00 179.25 179.84 2kcv h ILE 60 N -0.37 1.25 -0.18 0.00 1.08 -1.36 -0.59 117.51 117.33 2kcv h ILE 60 Ca 0.01 -0.60 -0.15 0.00 -0.39 0.00 0.00 64.86 63.73 2kcv h ILE 60 Cb 0.37 0.05 -0.01 0.00 -3.07 0.00 0.00 36.82 34.16 2kcv h ILE 60 CO -0.07 0.28 -0.52 -0.78 -0.69 0.00 0.00 178.15 176.37 2kcv h ASP 61 N 1.23 0.57 -0.39 1.72 3.58 -1.42 -0.89 116.42 120.81 2kcv h ASP 61 Ca 0.31 -0.29 -0.15 0.00 0.42 0.00 0.00 57.03 57.32 2kcv h ASP 61 Cb 0.00 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 40.89 2kcv h ASP 61 CO -0.05 0.98 -0.35 0.74 -2.88 0.00 0.00 179.24 177.68 2kcv h THR 62 N 0.40 1.27 -0.60 2.25 2.02 -0.71 -1.41 112.91 116.13 2kcv h THR 62 Ca 0.01 -1.52 -0.10 0.00 0.77 0.00 0.00 66.41 65.58 2kcv h THR 62 Cb 1.04 1.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.78 2kcv h THR 62 CO 0.10 0.51 -0.01 1.88 0.37 0.00 0.00 175.52 178.37 2kcv h TYR 63 N 0.75 1.16 -0.66 3.16 0.05 -1.04 -1.01 116.97 119.38 2kcv h TYR 63 Ca 0.07 -0.20 -0.01 0.00 0.05 0.00 0.00 58.73 58.63 2kcv h TYR 63 Cb 0.94 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 38.34 2kcv h TYR 63 CO 0.06 1.02 0.36 0.00 -1.05 0.00 0.00 178.16 178.55 2kcv h ALA 64 N 1.01 0.84 -0.53 3.88 0.00 -1.05 0.38 119.26 123.78 2kcv h ALA 64 Ca 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2kcv h ALA 64 Cb 0.57 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 2kcv h ALA 64 CO 0.03 0.36 0.29 1.96 0.00 0.00 0.00 179.25 181.89 2kcv h GLN 65 N 0.90 0.75 -0.98 0.00 1.08 -1.17 -2.97 115.11 112.71 2kcv h GLN 65 Ca 0.23 -0.09 0.02 0.00 -1.45 0.00 0.00 58.65 57.36 2kcv h GLN 65 Cb 0.04 -0.15 -0.05 0.00 -0.05 0.00 0.00 27.48 27.28 2kcv h GLN 65 CO -0.04 0.58 0.65 0.78 -0.95 0.00 0.00 178.83 179.85 2kcv h GLY 66 N 0.72 1.40 0.58 3.46 0.00 -0.72 -3.04 103.07 105.47 2kcv h GLY 66 Ca 0.19 -0.51 0.07 0.00 0.00 0.00 0.00 47.33 47.08 2kcv h GLY 66 CO -0.03 0.47 0.33 -2.22 0.00 0.00 0.00 176.54 175.09 2kcv h ILE 67 N 1.30 0.90 -0.40 2.60 2.04 -0.77 0.28 117.51 123.46 2kcv h ILE 67 Ca 0.37 -0.20 -0.01 0.00 1.00 0.00 0.00 64.86 66.02 2kcv h ILE 67 Cb -0.10 0.26 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 2kcv h ILE 67 CO -0.10 0.11 0.21 -0.33 0.00 0.00 0.00 178.15 178.04 2kcv h GLU 68 N 0.59 0.57 0.00 2.37 5.08 -1.53 -2.75 114.58 118.91 2kcv h GLU 68 Ca 0.31 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 2kcv h GLU 68 Cb 0.26 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2kcv h GLU 68 CO -0.22 0.48 -0.37 -0.39 -1.00 0.00 0.00 179.01 177.51 2kcv h VAL 69 N 0.51 0.00 -0.10 3.13 -1.51 -1.49 -3.35 116.25 113.45 2kcv h VAL 69 Ca 0.14 -0.92 -0.10 0.00 -1.23 0.00 0.00 66.70 64.59 2kcv h VAL 69 Cb 0.09 1.72 0.00 0.00 -2.13 0.00 0.00 31.29 30.98 2kcv h VAL 69 CO -0.02 0.00 -0.33 0.00 -1.23 0.00 0.00 177.57 175.99 2kcv h ALA 70 N 2.08 0.17 -0.04 5.19 0.00 -0.17 0.04 119.26 126.53 2kcv h ALA 70 Ca 0.00 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.42 2kcv h ALA 70 Cb 0.96 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 2kcv h ALA 70 CO 0.00 0.22 -0.25 0.07 0.00 0.00 0.00 179.25 179.29 2kcv h ARG 71 N -0.06 0.07 0.00 0.00 0.11 -1.66 -1.87 114.38 110.97 2kcv h ARG 71 Ca -0.01 -0.02 -0.14 0.00 0.10 0.00 0.00 59.98 59.90 2kcv h ARG 71 Cb 0.96 -0.01 -0.02 0.00 1.11 0.00 0.00 29.97 32.01 2kcv h ARG 71 CO 0.07 0.31 -0.96 0.93 0.10 0.00 0.00 179.97 180.42 2kcv h GLU 72 N 0.06 0.00 0.00 0.08 5.08 -1.68 -3.44 114.58 114.68 2kcv h GLU 72 Ca 0.01 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.32 2kcv h GLU 72 Cb 0.48 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2kcv h GLU 72 CO 0.03 0.63 -0.31 0.93 -1.00 0.00 0.00 179.01 179.29 2kcv h GLU 73 N -1.00 0.00 0.00 2.33 4.39 -1.08 -3.47 114.58 115.74 2kcv h GLU 73 Ca -0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.48 2kcv h GLU 73 Cb 1.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 2kcv h GLU 73 CO -0.13 0.82 0.00 0.41 -1.16 0.00 0.00 179.01 178.95 2kcv n GLY 74 N 1.59 0.46 3.82 -3.84 0.00 -0.70 -5.05 105.19 101.47 2kcv n GLY 74 Ca -0.14 -1.81 -0.20 0.00 0.00 0.00 0.00 46.02 43.88 2kcv n GLY 74 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kcv n THR 75 N 0.00 0.00 0.32 2.61 -2.24 -1.24 -4.68 114.28 109.06 2kcv n THR 75 Ca 0.00 -1.84 0.15 0.00 -2.27 0.00 0.00 64.05 60.10 2kcv n THR 75 Cb 0.00 -0.59 0.65 0.00 -2.10 0.00 0.00 70.33 68.29 2kcv n THR 75 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2kcv h GLN 76 N 0.00 0.00 -0.04 -0.78 4.15 -1.89 -2.67 115.11 113.88 2kcv h GLN 76 Ca -0.27 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.14 2kcv h GLN 76 Cb 1.22 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.91 2kcv h GLN 76 CO 0.37 0.00 0.01 -0.22 -1.93 0.00 0.00 178.83 177.06 2kcv h LYS 77 N 0.00 0.06 -0.33 1.69 3.64 -1.94 0.63 116.57 120.31 2kcv h LYS 77 Ca 0.00 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.41 2kcv h LYS 77 Cb 0.38 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.15 2kcv h LYS 77 CO 0.00 0.25 0.09 -0.44 -2.27 0.00 0.00 179.45 177.08 2kcv h ASP 78 N -0.15 0.08 -0.49 4.20 5.19 -1.82 -1.89 116.42 121.54 2kcv h ASP 78 Ca 0.01 0.04 0.03 0.00 -0.62 0.00 0.00 57.03 56.50 2kcv h ASP 78 Cb 0.22 0.04 -0.04 0.00 0.18 0.00 0.00 39.33 39.74 2kcv h ASP 78 CO -0.00 0.08 0.27 0.25 -3.12 0.00 0.00 179.24 176.72 2kcv h LEU 79 N 0.22 0.40 -0.83 1.55 5.85 -1.48 -2.73 115.31 118.30 2kcv h LEU 79 Ca 0.15 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.89 2kcv h LEU 79 Cb 0.15 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 2kcv h LEU 79 CO -0.18 0.28 0.50 -1.28 -0.34 0.00 0.00 178.44 177.43 2kcv h SER 80 N 0.53 1.00 0.56 1.25 0.87 -0.37 -1.92 113.55 115.46 2kcv h SER 80 Ca 0.21 -0.07 -0.16 0.00 -1.23 0.00 0.00 61.79 60.54 2kcv h SER 80 Cb 0.08 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.77 2kcv h SER 80 CO -0.13 0.77 -0.72 -0.33 -0.53 0.00 0.00 176.83 175.90 2kcv h GLU 81 N 1.14 0.13 -0.06 2.24 4.39 -1.17 -0.33 114.58 120.93 2kcv h GLU 81 Ca 0.30 -0.11 -0.23 0.00 0.34 0.00 0.00 59.36 59.65 2kcv h GLU 81 Cb -0.04 0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.64 2kcv h GLU 81 CO -0.06 0.79 -0.90 -0.07 -1.16 0.00 0.00 179.01 177.62 2kcv h LEU 82 N 0.09 0.77 -0.60 1.33 3.38 -1.27 -0.51 115.31 118.50 2kcv h LEU 82 Ca -0.02 -0.56 -0.11 0.00 0.09 0.00 0.00 57.88 57.28 2kcv h LEU 82 Cb 1.27 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2kcv h LEU 82 CO 0.10 1.36 -0.08 1.56 0.09 0.00 0.00 178.44 181.47 2kcv h GLN 83 N 0.38 1.03 -0.44 1.13 4.20 -1.32 -1.84 115.11 118.24 2kcv h GLN 83 Ca -0.08 -0.36 -0.02 0.00 0.06 0.00 0.00 58.65 58.24 2kcv h GLN 83 Cb 1.53 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 29.21 2kcv h GLN 83 CO 0.17 1.05 0.19 0.22 -0.67 0.00 0.00 178.83 179.79 2kcv h ASP 84 N 0.92 0.60 -0.24 1.46 1.82 -1.06 -2.73 116.42 117.18 2kcv h ASP 84 Ca 0.15 -0.16 -0.10 0.00 -0.39 0.00 0.00 57.03 56.54 2kcv h ASP 84 Cb 0.65 -0.15 -0.00 0.00 0.68 0.00 0.00 39.33 40.50 2kcv h ASP 84 CO 0.04 0.59 -0.22 0.00 -1.61 0.00 0.00 179.24 178.04 2kcv h ALA 85 N 1.03 0.35 -0.26 -0.78 0.00 -0.98 -2.84 119.26 115.79 2kcv h ALA 85 Ca 0.15 -0.37 -0.11 0.00 0.00 0.00 0.00 54.91 54.58 2kcv h ALA 85 Cb 0.17 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2kcv h ALA 85 CO -0.01 0.31 -0.32 1.57 0.00 0.00 0.00 179.25 180.80 2kcv h LYS 86 N 0.29 0.55 -0.42 0.00 2.10 -1.39 -1.26 116.57 116.44 2kcv h LYS 86 Ca 0.04 -0.24 -0.13 0.00 -2.00 0.00 0.00 60.65 58.32 2kcv h LYS 86 Cb 0.77 -0.02 -0.01 0.00 -0.90 0.00 0.00 32.23 32.07 2kcv h LYS 86 CO 0.06 0.80 -0.24 1.37 -2.00 0.00 0.00 179.45 179.44 2kcv h LEU 87 N 0.47 0.90 -0.30 7.07 8.10 -1.45 0.53 115.31 130.62 2kcv h LEU 87 Ca 0.06 -0.34 -0.19 0.00 0.11 0.00 0.00 57.88 57.51 2kcv h LEU 87 Cb 0.78 -0.25 -0.01 0.00 -0.44 0.00 0.00 40.66 40.74 2kcv h LEU 87 CO 0.06 1.09 -0.86 0.07 -4.11 0.00 0.00 178.44 174.69 2kcv h LYS 88 N 0.75 0.18 -0.08 0.17 5.09 -1.48 -1.38 116.57 119.81 2kcv h LYS 88 Ca 0.10 -0.19 -0.12 0.00 0.09 0.00 0.00 60.65 60.53 2kcv h LYS 88 Cb 0.79 0.06 -0.01 0.00 0.10 0.00 0.00 32.23 33.16 2kcv h LYS 88 CO 0.07 0.94 -0.47 0.00 -2.09 0.00 0.00 179.45 177.89 2kcv h ALA 89 N 1.00 1.06 -0.47 0.07 0.00 -1.08 -0.62 119.26 119.21 2kcv h ALA 89 Ca -0.04 -0.45 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 2kcv h ALA 89 Cb 1.49 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 2kcv h ALA 89 CO 0.13 0.63 -0.19 0.93 0.00 0.00 0.00 179.25 180.75 2kcv h GLU 90 N 0.16 0.94 0.00 0.00 5.08 -0.88 -2.92 114.58 116.97 2kcv h GLU 90 Ca 0.01 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 57.98 2kcv h GLU 90 Cb 0.90 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2kcv h GLU 90 CO 0.07 1.05 0.00 0.41 -1.00 0.00 0.00 179.01 179.54 2kcv n GLY 91 N -0.18 -0.81 0.29 -3.84 0.00 -0.53 -2.13 105.19 98.00 2kcv n GLY 91 Ca 0.00 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 0.14 -6.56 0.99 3.38 -0.92 -3.19 115.31 109.14 2kcv h LEU 92 Ca 0.00 -0.00 -0.64 0.00 0.09 0.00 0.00 57.88 57.33 2kcv h LEU 92 Cb 0.14 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 40.86 2kcv h LEU 92 CO 0.00 0.10 2.42 -0.62 0.09 0.00 0.00 178.44 180.43 2kcv n GLU 93 N -4.50 2.00 -1.75 1.13 -0.58 -0.90 -4.61 120.64 111.42 2kcv n GLU 93 Ca 0.01 -2.21 -0.19 0.00 -0.42 0.00 0.00 57.16 54.35 2kcv n GLU 93 Cb 0.15 -3.14 0.06 0.00 -0.57 0.00 0.00 31.44 27.94 2kcv n GLU 93 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2kcv n HIS 94 N 7.79 2.27 -0.04 -0.32 1.44 -1.21 -4.83 115.22 120.32 2kcv n HIS 94 Ca 0.50 -2.11 -0.14 0.00 -2.01 0.00 0.00 57.72 53.96 2kcv n HIS 94 Cb 0.41 -0.35 -0.08 0.00 0.12 0.00 0.00 29.99 30.09 2kcv n HIS 94 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2kcv h HIS 95 N 1.96 0.40 -1.61 -1.40 6.17 -1.92 -3.44 115.15 115.31 2kcv h HIS 95 Ca 0.31 -0.14 0.02 0.00 0.71 0.00 0.00 60.37 61.27 2kcv h HIS 95 Cb 1.43 -0.07 -0.23 0.00 2.52 0.00 0.00 27.41 31.06 2kcv h HIS 95 CO 0.85 0.81 -0.28 -1.58 0.71 0.00 0.00 177.93 178.44 2kcv s HIS 96 N -3.99 -1.30 -0.18 5.26 5.65 -1.26 -5.07 115.29 114.39 2kcv s HIS 96 Ca -0.14 1.71 0.00 0.00 0.25 0.00 0.00 55.06 56.87 2kcv s HIS 96 Cb 0.04 0.50 0.18 0.00 -1.18 0.00 0.00 32.58 32.13 2kcv s HIS 96 CO 0.75 -0.75 1.67 0.72 -0.65 0.00 0.00 174.74 176.49 2kcv n HIS 97 N 5.42 1.02 -3.68 3.88 -0.00 -1.26 -4.79 115.22 115.81 2kcv n HIS 97 Ca -0.05 -1.31 -0.13 0.00 -0.00 0.00 0.00 57.72 56.22 2kcv n HIS 97 Cb 0.50 -0.65 -0.08 0.00 -0.00 0.00 0.00 29.99 29.76 2kcv n HIS 97 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kcv s HIS 98 N -1.15 -0.65 -1.52 4.41 5.65 -1.26 -5.24 115.29 115.53 2kcv s HIS 98 Ca 0.20 1.55 0.12 0.00 0.25 0.00 0.00 55.06 57.17 2kcv s HIS 98 Cb 0.16 0.24 0.10 0.00 -1.18 0.00 0.00 32.58 31.89 2kcv s HIS 98 CO 0.02 -0.31 0.88 1.58 -0.65 0.00 0.00 174.74 176.26