#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 6.82 0.00 1.62 1.01 -1.26 -4.95 116.67 119.91 2kcv s ASP 2 Ca 0.00 1.66 0.05 0.00 0.71 0.00 0.00 52.55 54.97 2kcv s ASP 2 Cb 0.00 -2.53 0.28 0.00 1.01 0.00 0.00 42.92 41.67 2kcv s ASP 2 CO 0.00 -0.45 0.66 -2.65 0.21 0.00 0.00 175.17 172.94 2kcv n PRO 3 N -0.94 0.34 0.08 8.23 -0.02 -1.26 -1.60 135.00 139.84 2kcv n PRO 3 Ca 0.07 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.43 2kcv n PRO 3 Cb 0.54 -1.21 -0.13 0.00 -0.02 0.00 0.00 33.50 32.68 2kcv n PRO 3 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2kcv h GLU 4 N 0.00 0.15 -6.46 -0.52 5.08 -1.98 -3.38 114.58 107.47 2kcv h GLU 4 Ca 0.00 -0.26 -0.53 0.00 -1.00 0.00 0.00 59.36 57.56 2kcv h GLU 4 Cb 0.00 0.10 0.02 0.00 0.50 0.00 0.00 28.75 29.37 2kcv h GLU 4 CO 0.00 1.11 0.90 -0.51 -1.00 0.00 0.00 179.01 179.51 2kcv s ASP 5 N -6.93 6.69 0.16 1.42 1.01 -0.62 -4.95 116.67 113.44 2kcv s ASP 5 Ca -0.02 2.38 -0.23 0.00 0.71 0.00 0.00 52.55 55.39 2kcv s ASP 5 Cb 0.08 -2.57 0.04 0.00 1.01 0.00 0.00 42.92 41.49 2kcv s ASP 5 CO 0.85 -0.80 1.60 -0.65 0.21 0.00 0.00 175.17 176.38 2kcv h PRO 6 N 7.80 -0.27 -0.23 8.23 0.11 -1.89 -1.09 132.00 144.67 2kcv h PRO 6 Ca -0.41 0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.66 2kcv h PRO 6 Cb 1.20 0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2kcv h PRO 6 CO 0.91 -0.18 -0.10 0.35 -0.21 0.00 0.00 178.00 178.77 2kcv h PHE 7 N -0.28 0.38 0.49 0.65 3.57 -1.96 -2.66 116.94 117.14 2kcv h PHE 7 Ca 0.16 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 2kcv h PHE 7 Cb 0.53 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.17 2kcv h PHE 7 CO -0.50 0.47 -0.24 1.15 -2.23 0.00 0.00 178.31 176.96 2kcv h THR 8 N 0.35 0.51 0.00 4.41 2.02 -1.49 -0.18 112.91 118.52 2kcv h THR 8 Ca 0.07 -0.12 -0.08 0.00 0.77 0.00 0.00 66.41 67.05 2kcv h THR 8 Cb 0.39 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2kcv h THR 8 CO 0.02 0.02 -0.39 0.08 0.37 0.00 0.00 175.52 175.62 2kcv h ARG 9 N -0.73 0.00 0.25 6.66 -0.00 -1.55 -0.59 114.38 118.41 2kcv h ARG 9 Ca -0.07 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.90 2kcv h ARG 9 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.52 2kcv h ARG 9 CO 0.11 0.39 -0.12 -0.92 -0.00 0.00 0.00 179.97 179.43 2kcv h TYR 10 N 0.00 -0.31 -0.52 4.08 3.20 -1.34 -0.37 116.97 121.71 2kcv h TYR 10 Ca -0.00 -0.01 -0.12 0.00 3.14 0.00 0.00 58.73 61.74 2kcv h TYR 10 Cb 0.82 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.18 2kcv h TYR 10 CO 0.00 -0.06 -0.15 0.00 -1.64 0.00 0.00 178.16 176.31 2kcv h ALA 11 N 0.17 0.73 -0.64 1.82 0.00 -0.97 -2.52 119.26 117.84 2kcv h ALA 11 Ca -0.03 -0.37 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 2kcv h ALA 11 Cb 0.39 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2kcv h ALA 11 CO 0.06 0.68 0.26 1.25 0.00 0.00 0.00 179.25 181.49 2kcv h LEU 12 N 0.90 0.86 -0.48 0.00 5.85 -1.12 -1.19 115.31 120.13 2kcv h LEU 12 Ca 0.13 -0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 2kcv h LEU 12 Cb 0.73 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2kcv h LEU 12 CO 0.06 0.77 0.21 0.00 -0.34 0.00 0.00 178.44 179.13 2kcv h ALA 13 N 1.36 0.62 0.00 1.25 0.00 -0.89 -0.51 119.26 121.09 2kcv h ALA 13 Ca 0.22 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2kcv h ALA 13 Cb 0.18 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2kcv h ALA 13 CO -0.02 0.21 -0.20 1.96 0.00 0.00 0.00 179.25 181.21 2kcv h GLN 14 N 0.63 0.00 -0.15 0.00 4.20 -0.98 -1.24 115.11 117.57 2kcv h GLN 14 Ca 0.16 0.00 -0.15 0.00 0.06 0.00 0.00 58.65 58.72 2kcv h GLN 14 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2kcv h GLN 14 CO -0.02 0.20 -0.50 0.93 -0.67 0.00 0.00 178.83 178.77 2kcv h GLU 15 N 0.00 0.60 -0.73 1.46 5.08 -0.88 -3.19 114.58 116.93 2kcv h GLU 15 Ca -0.00 -0.45 0.04 0.00 -1.00 0.00 0.00 59.36 57.95 2kcv h GLU 15 Cb 0.35 0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 2kcv h GLU 15 CO 0.03 1.07 0.48 0.45 -1.00 0.00 0.00 179.01 180.03 2kcv h HIS 16 N 0.26 0.82 -0.97 4.33 3.86 -0.47 -1.01 115.15 121.98 2kcv h HIS 16 Ca -0.02 0.02 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 2kcv h HIS 16 Cb 1.12 -0.27 -0.06 0.00 1.06 0.00 0.00 27.41 29.26 2kcv h HIS 16 CO 0.10 0.46 0.63 -0.07 0.86 0.00 0.00 177.93 179.91 2kcv h LEU 17 N 0.84 1.02 -0.10 2.43 3.38 -1.25 0.18 115.31 121.80 2kcv h LEU 17 Ca 0.30 -0.00 -0.23 0.00 0.09 0.00 0.00 57.88 58.04 2kcv h LEU 17 Cb 0.13 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2kcv h LEU 17 CO -0.09 0.68 -1.02 0.11 0.09 0.00 0.00 178.44 178.21 2kcv h LYS 18 N 1.17 0.25 -0.64 1.13 1.57 -1.34 -3.22 116.57 115.49 2kcv h LYS 18 Ca 0.40 -0.32 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2kcv h LYS 18 Cb 0.09 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.51 2kcv h LYS 18 CO -0.14 1.08 0.00 0.72 -0.57 0.00 0.00 179.45 180.54 2kcv n HIS 19 N -3.61 0.68 -0.75 -1.35 8.25 -0.46 -4.91 115.22 113.08 2kcv n HIS 19 Ca -0.05 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.15 2kcv n HIS 19 Cb 0.90 -0.17 0.00 0.00 1.12 0.00 0.00 29.99 31.84 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 0.30 0.00 -2.78 0.41 2.03 -0.82 -4.89 116.55 110.80 2kcv n ASP 20 Ca 0.11 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.12 2kcv n ASP 20 Cb 0.50 -0.99 -0.06 0.00 -0.72 0.00 0.00 41.12 39.85 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 6.95 0.02 1.67 5.03 0.55 -4.71 115.26 124.77 2kcv n ASN 21 Ca 0.00 -3.01 -0.01 0.00 0.87 0.00 0.00 54.58 52.44 2kcv n ASN 21 Cb 0.00 -1.33 0.28 0.00 -1.02 0.00 0.00 39.78 37.71 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 3.66 1.32 -0.10 5.41 0.00 -1.87 -1.50 119.26 126.18 2kcv h ALA 22 Ca 0.50 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2kcv h ALA 22 Cb 0.69 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 2kcv h ALA 22 CO 1.03 0.46 -0.23 1.03 0.00 0.00 0.00 179.25 181.54 2kcv h SER 23 N 0.45 0.17 0.36 0.00 0.87 -1.93 0.70 113.55 114.17 2kcv h SER 23 Ca 0.09 -0.05 -0.18 0.00 -1.23 0.00 0.00 61.79 60.43 2kcv h SER 23 Cb 0.41 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.32 2kcv h SER 23 CO 0.02 0.41 -0.74 0.03 -0.53 0.00 0.00 176.83 176.03 2kcv h ARG 24 N 0.16 0.32 -0.56 2.24 2.47 -1.70 -1.47 114.38 115.85 2kcv h ARG 24 Ca 0.03 -0.27 -0.07 0.00 -1.26 0.00 0.00 59.98 58.41 2kcv h ARG 24 Cb 0.51 0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.86 2kcv h ARG 24 CO 0.03 0.92 0.07 0.00 0.56 0.00 0.00 179.97 181.55 2kcv h ALA 25 N 1.00 0.74 -0.22 0.04 0.00 -1.03 -1.73 119.26 118.05 2kcv h ALA 25 Ca -0.03 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kcv h ALA 25 Cb 1.31 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2kcv h ALA 25 CO 0.12 0.51 0.12 1.25 0.00 0.00 0.00 179.25 181.25 2kcv h LEU 26 N 0.83 0.28 -0.75 0.00 5.85 -0.77 -1.92 115.31 118.83 2kcv h LEU 26 Ca 0.17 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.80 2kcv h LEU 26 Cb 0.44 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 2kcv h LEU 26 CO 0.01 0.29 0.48 0.00 -0.34 0.00 0.00 178.44 178.88 2kcv h ALA 27 N 1.00 0.95 -0.11 1.25 0.00 -1.21 -0.51 119.26 120.63 2kcv h ALA 27 Ca 0.08 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 2kcv h ALA 27 Cb 0.07 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2kcv h ALA 27 CO -0.01 0.39 -0.41 -0.07 0.00 0.00 0.00 179.25 179.15 2kcv h LEU 28 N 1.02 0.25 -0.38 0.00 3.38 -1.03 0.23 115.31 118.79 2kcv h LEU 28 Ca 0.27 -0.11 -0.18 0.00 0.09 0.00 0.00 57.88 57.95 2kcv h LEU 28 Cb -0.08 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 40.60 2kcv h LEU 28 CO -0.06 0.64 -0.59 -0.26 0.09 0.00 0.00 178.44 178.27 2kcv h PHE 29 N 0.20 0.90 0.00 1.13 0.04 -1.13 -1.62 116.94 116.46 2kcv h PHE 29 Ca 0.02 -0.33 -0.04 0.00 2.80 0.00 0.00 57.97 60.41 2kcv h PHE 29 Cb 0.82 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.80 2kcv h PHE 29 CO 0.01 1.12 -0.21 0.93 -0.60 0.00 0.00 178.31 179.57 2kcv h GLU 30 N 0.53 0.00 -0.24 1.51 5.08 -0.73 -1.31 114.58 119.42 2kcv h GLU 30 Ca 0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 2kcv h GLU 30 Cb 1.17 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 2kcv h GLU 30 CO 0.12 0.21 -0.41 1.49 -1.00 0.00 0.00 179.01 179.42 2kcv h GLU 31 N 0.00 0.69 -0.15 2.33 4.57 -0.44 -2.46 114.58 119.12 2kcv h GLU 31 Ca -0.00 -0.43 0.01 0.00 -1.18 0.00 0.00 59.36 57.76 2kcv h GLU 31 Cb 0.61 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 2kcv h GLU 31 CO 0.03 1.05 0.06 -0.07 -1.18 0.00 0.00 179.01 178.90 2kcv h LEU 32 N 0.41 0.09 0.16 1.64 3.38 -0.94 -2.69 115.31 117.35 2kcv h LEU 32 Ca 0.02 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2kcv h LEU 32 Cb 1.01 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2kcv h LEU 32 CO 0.09 0.07 -0.08 0.58 0.09 0.00 0.00 178.44 179.20 2kcv h VAL 33 N 0.14 0.84 -0.68 1.22 2.07 -1.23 0.47 116.25 119.08 2kcv h VAL 33 Ca 0.06 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.54 2kcv h VAL 33 Cb 0.02 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2kcv h VAL 33 CO -0.05 0.00 0.26 1.05 0.02 0.00 0.00 177.57 178.85 2kcv h GLU 34 N -0.22 1.03 0.02 1.57 4.11 -1.48 -3.17 114.58 116.44 2kcv h GLU 34 Ca -0.02 -0.20 -0.37 0.00 0.07 0.00 0.00 59.36 58.84 2kcv h GLU 34 Cb 0.17 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.20 2kcv h GLU 34 CO 0.04 0.86 -2.31 0.25 0.07 0.00 0.00 179.01 177.92 2kcv n THR 35 N -4.37 1.54 -3.36 -1.06 -2.24 -1.02 -4.74 114.28 99.03 2kcv n THR 35 Ca 0.05 -0.66 -0.26 0.00 -2.27 0.00 0.00 64.05 60.91 2kcv n THR 35 Cb 0.19 -1.26 -0.08 0.00 -2.10 0.00 0.00 70.33 67.08 2kcv n THR 35 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2kcv n ASP 36 N -3.18 2.05 0.02 3.42 9.92 0.15 -4.96 116.55 123.97 2kcv n ASP 36 Ca -0.38 -3.07 0.07 0.00 -0.53 0.00 0.00 54.79 50.88 2kcv n ASP 36 Cb 1.04 -0.66 0.33 0.00 -0.64 0.00 0.00 41.12 41.19 2kcv n ASP 36 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 2kcv n PRO 37 N 1.25 0.03 0.11 -0.24 -0.02 -1.20 -2.42 135.00 132.51 2kcv n PRO 37 Ca 0.26 0.28 -0.01 0.00 -2.02 0.00 0.00 63.50 62.00 2kcv n PRO 37 Cb 0.46 -1.55 -0.03 0.00 -0.02 0.00 0.00 33.50 32.36 2kcv n PRO 37 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 2kcv h ASP 38 N 0.00 0.00 -1.82 2.55 5.19 -1.89 -3.44 116.42 117.01 2kcv h ASP 38 Ca 0.00 0.00 -0.48 0.00 -0.62 0.00 0.00 57.03 55.93 2kcv h ASP 38 Cb 0.26 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.75 2kcv h ASP 38 CO 0.00 0.70 1.45 -0.47 -3.12 0.00 0.00 179.24 177.80 2kcv s TYR 39 N -2.86 1.43 0.26 4.55 6.14 -1.01 -4.80 117.35 121.05 2kcv s TYR 39 Ca 0.03 1.09 0.01 0.00 0.64 0.00 0.00 57.07 58.84 2kcv s TYR 39 Cb 0.08 -3.89 0.34 0.00 0.42 0.00 0.00 41.96 38.92 2kcv s TYR 39 CO 0.78 -2.39 1.68 0.28 0.64 0.00 0.00 175.55 176.54 2kcv h VAL 40 N 7.20 1.27 -0.00 3.14 2.07 -1.89 -3.11 116.25 124.93 2kcv h VAL 40 Ca -0.25 -1.34 0.00 0.00 0.82 0.00 0.00 66.70 65.93 2kcv h VAL 40 Cb 1.20 1.38 -0.00 0.00 -1.52 0.00 0.00 31.29 32.35 2kcv h VAL 40 CO 1.20 0.43 0.00 1.23 0.02 0.00 0.00 177.57 180.45 2kcv h GLY 41 N 1.03 0.00 0.46 2.17 0.00 -1.99 -2.34 103.07 102.41 2kcv h GLY 41 Ca 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 2kcv h GLY 41 CO 0.06 0.00 -0.49 -0.84 0.00 0.00 0.00 176.54 175.27 2kcv h THR 42 N 0.00 0.05 -0.78 4.70 2.02 -1.93 -3.16 112.91 113.81 2kcv h THR 42 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.14 2kcv h THR 42 Cb 0.01 0.05 -0.03 0.00 -1.74 0.00 0.00 68.15 66.43 2kcv h THR 42 CO -0.00 0.00 0.34 1.88 0.37 0.00 0.00 175.52 178.11 2kcv h TYR 43 N -0.92 1.16 0.66 3.16 0.05 -1.59 0.11 116.97 119.61 2kcv h TYR 43 Ca -0.04 -0.08 -0.03 0.00 0.05 0.00 0.00 58.73 58.63 2kcv h TYR 43 Cb 0.83 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 38.21 2kcv h TYR 43 CO -0.28 0.87 -0.44 -0.92 -1.05 0.00 0.00 178.16 176.34 2kcv h TYR 44 N 1.12 -1.17 -0.26 4.88 3.20 -1.67 -1.70 116.97 121.36 2kcv h TYR 44 Ca 0.26 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.09 2kcv h TYR 44 Cb 0.18 0.42 -0.01 0.00 1.54 0.00 0.00 36.73 38.85 2kcv h TYR 44 CO 0.02 -0.64 -0.00 0.45 -1.64 0.00 0.00 178.16 176.35 2kcv h HIS 45 N -1.04 0.40 -0.28 -3.82 3.86 -1.40 -0.90 115.15 111.98 2kcv h HIS 45 Ca -0.09 -0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 58.96 2kcv h HIS 45 Cb 0.84 -0.12 -0.00 0.00 1.06 0.00 0.00 27.41 29.19 2kcv h HIS 45 CO -0.10 0.41 -0.34 1.25 0.86 0.00 0.00 177.93 180.01 2kcv h LEU 46 N 0.39 0.79 -0.47 2.43 5.85 -0.84 -2.58 115.31 120.88 2kcv h LEU 46 Ca 0.09 -0.49 -0.14 0.00 0.84 0.00 0.00 57.88 58.18 2kcv h LEU 46 Cb 0.26 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 2kcv h LEU 46 CO 0.01 1.12 -0.26 1.23 -0.34 0.00 0.00 178.44 180.21 2kcv h GLY 47 N 0.48 1.08 0.82 3.75 0.00 -0.83 -1.55 103.07 106.81 2kcv h GLY 47 Ca 0.04 -0.99 0.05 0.00 0.00 0.00 0.00 47.33 46.43 2kcv h GLY 47 CO 0.08 0.90 0.62 0.50 0.00 0.00 0.00 176.54 178.64 2kcv h LYS 48 N 0.84 1.14 -0.18 4.80 1.79 -1.16 -1.62 116.57 122.18 2kcv h LYS 48 Ca 0.10 -0.07 -0.17 0.00 -2.18 0.00 0.00 60.65 58.33 2kcv h LYS 48 Cb 0.84 -0.26 -0.00 0.00 -1.58 0.00 0.00 32.23 31.23 2kcv h LYS 48 CO 0.07 0.75 -0.58 1.25 -1.08 0.00 0.00 179.45 179.87 2kcv h LEU 49 N 1.17 0.64 -0.48 2.94 5.85 -1.31 -2.97 115.31 121.16 2kcv h LEU 49 Ca 0.40 -0.35 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2kcv h LEU 49 Cb 0.07 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.87 2kcv h LEU 49 CO -0.14 1.08 0.24 1.88 -0.34 0.00 0.00 178.44 181.15 2kcv h TYR 50 N 0.43 0.43 -0.81 1.25 0.05 -0.68 -2.48 116.97 115.17 2kcv h TYR 50 Ca 0.00 0.02 0.10 0.00 0.05 0.00 0.00 58.73 58.90 2kcv h TYR 50 Cb 1.14 -0.13 -0.06 0.00 1.01 0.00 0.00 36.73 38.70 2kcv h TYR 50 CO 0.05 0.21 0.53 0.93 -1.05 0.00 0.00 178.16 178.83 2kcv h GLU 51 N 0.47 0.73 -0.28 4.88 5.08 -1.20 0.13 114.58 124.39 2kcv h GLU 51 Ca 0.21 -0.04 -0.10 0.00 -1.00 0.00 0.00 59.36 58.42 2kcv h GLU 51 Cb 0.12 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 2kcv h GLU 51 CO -0.15 0.48 -0.25 0.00 -1.00 0.00 0.00 179.01 178.09 2kcv h ARG 52 N 0.75 0.54 -0.77 2.33 3.08 -1.31 -2.95 114.38 116.06 2kcv h ARG 52 Ca 0.37 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2kcv h ARG 52 Cb 0.44 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2kcv h ARG 52 CO -0.14 0.75 0.00 1.28 -1.07 0.00 0.00 179.97 180.79 2kcv n LEU 53 N -4.11 3.42 -0.09 3.04 4.77 -0.51 -4.88 117.00 118.64 2kcv n LEU 53 Ca -0.00 -1.73 -0.01 0.00 -0.03 0.00 0.00 56.01 54.23 2kcv n LEU 53 Cb 0.42 -0.58 -0.01 0.00 -2.33 0.00 0.00 43.42 40.92 2kcv n LEU 53 CO 0.43 0.45 -0.01 0.47 -1.33 0.00 0.00 177.39 177.39 2kcv n ASP 54 N 0.34 -5.35 -2.55 -1.43 9.92 -1.11 -4.88 116.55 111.49 2kcv n ASP 54 Ca 0.14 0.03 -0.31 0.00 -0.53 0.00 0.00 54.79 54.13 2kcv n ASP 54 Cb 0.73 -2.95 -0.00 0.00 -0.64 0.00 0.00 41.12 38.25 2kcv n ASP 54 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 2kcv n ARG 55 N -0.03 2.48 -0.01 -1.24 5.12 0.36 -4.68 116.66 118.66 2kcv n ARG 55 Ca -0.01 -2.73 0.01 0.00 -1.93 0.00 0.00 57.85 53.19 2kcv n ARG 55 Cb 0.41 -2.14 0.34 0.00 -1.16 0.00 0.00 32.46 29.90 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 1.80 1.16 -0.31 0.55 2.02 -1.84 -1.14 112.91 115.16 2kcv h THR 56 Ca 0.46 -0.56 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 2kcv h THR 56 Cb 0.52 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 2kcv h THR 56 CO 1.11 0.21 0.13 -0.78 0.37 0.00 0.00 175.52 176.56 2kcv h ASP 57 N 0.54 0.42 -0.31 4.18 3.58 -1.94 -2.14 116.42 120.74 2kcv h ASP 57 Ca 0.13 -0.16 -0.04 0.00 0.42 0.00 0.00 57.03 57.38 2kcv h ASP 57 Cb 0.18 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 2kcv h ASP 57 CO -0.01 0.46 0.08 0.44 -2.88 0.00 0.00 179.24 177.33 2kcv h ASP 58 N 0.35 0.53 -0.15 2.28 5.19 -1.73 -2.24 116.42 120.65 2kcv h ASP 58 Ca 0.10 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.43 2kcv h ASP 58 Cb 0.17 -0.14 -0.01 0.00 0.18 0.00 0.00 39.33 39.53 2kcv h ASP 58 CO -0.01 0.55 0.10 0.00 -3.12 0.00 0.00 179.24 176.76 2kcv h ALA 59 N 1.53 0.19 -0.59 3.45 0.00 -0.96 -1.60 119.26 121.27 2kcv h ALA 59 Ca 0.13 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.10 2kcv h ALA 59 Cb 0.24 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 17.90 2kcv h ALA 59 CO -0.00 -0.31 0.23 0.82 0.00 0.00 0.00 179.25 179.99 2kcv h ILE 60 N 0.19 0.80 -0.43 0.00 1.08 -0.80 -0.41 117.51 117.94 2kcv h ILE 60 Ca 0.06 -0.14 -0.08 0.00 -0.39 0.00 0.00 64.86 64.30 2kcv h ILE 60 Cb -0.00 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.07 2kcv h ILE 60 CO -0.01 0.08 -0.06 -0.78 -0.69 0.00 0.00 178.15 176.69 2kcv h ASP 61 N 0.42 0.80 -0.57 1.72 3.58 -1.40 -1.47 116.42 119.51 2kcv h ASP 61 Ca 0.29 -0.34 -0.11 0.00 0.42 0.00 0.00 57.03 57.30 2kcv h ASP 61 Cb 0.34 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 2kcv h ASP 61 CO -0.28 0.95 -0.07 0.74 -2.88 0.00 0.00 179.24 177.70 2kcv h THR 62 N 0.64 1.27 -0.62 2.25 2.02 -0.71 -1.66 112.91 116.09 2kcv h THR 62 Ca 0.12 -1.23 -0.07 0.00 0.77 0.00 0.00 66.41 65.99 2kcv h THR 62 Cb 0.58 0.90 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 2kcv h THR 62 CO 0.03 0.44 0.09 1.88 0.37 0.00 0.00 175.52 178.34 2kcv h TYR 63 N 0.94 1.07 -0.29 3.16 0.05 -1.04 -0.78 116.97 120.08 2kcv h TYR 63 Ca 0.15 -0.14 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 2kcv h TYR 63 Cb 0.64 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 2kcv h TYR 63 CO 0.04 0.91 0.16 0.00 -1.05 0.00 0.00 178.16 178.23 2kcv h ALA 64 N 1.14 0.38 -0.95 3.88 0.00 -1.03 0.20 119.26 122.88 2kcv h ALA 64 Ca 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2kcv h ALA 64 Cb 0.42 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 2kcv h ALA 64 CO 0.01 -0.10 0.60 0.37 0.00 0.00 0.00 179.25 180.13 2kcv h GLN 65 N 0.36 1.26 -0.74 0.00 -0.00 -1.22 -2.17 115.11 112.60 2kcv h GLN 65 Ca 0.10 -0.10 -0.01 0.00 -0.00 0.00 0.00 58.65 58.65 2kcv h GLN 65 Cb 0.06 -0.27 -0.04 0.00 0.00 0.00 0.00 27.48 27.23 2kcv h GLN 65 CO -0.02 0.86 0.43 0.78 0.00 0.00 0.00 178.83 180.88 2kcv h GLY 66 N 1.30 1.09 0.82 2.39 0.00 -0.70 -3.05 103.07 104.91 2kcv h GLY 66 Ca 0.34 -0.47 0.04 0.00 0.00 0.00 0.00 47.33 47.24 2kcv h GLY 66 CO -0.07 0.46 0.43 -2.22 0.00 0.00 0.00 176.54 175.14 2kcv h ILE 67 N 1.02 1.07 -0.37 2.60 2.04 0.04 0.36 117.51 124.26 2kcv h ILE 67 Ca 0.26 -0.29 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 2kcv h ILE 67 Cb -0.00 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.22 2kcv h ILE 67 CO -0.05 0.15 0.15 -0.33 0.00 0.00 0.00 178.15 178.08 2kcv h GLU 68 N 0.83 0.56 0.00 2.37 5.08 -1.46 -2.12 114.58 119.84 2kcv h GLU 68 Ca 0.29 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 2kcv h GLU 68 Cb 0.06 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.22 2kcv h GLU 68 CO -0.13 0.54 -0.14 -0.39 -1.00 0.00 0.00 179.01 177.90 2kcv h VAL 69 N 0.46 0.00 -0.13 3.13 -1.51 -1.39 -3.14 116.25 113.67 2kcv h VAL 69 Ca 0.12 -0.95 -0.17 0.00 -1.23 0.00 0.00 66.70 64.47 2kcv h VAL 69 Cb 0.19 1.88 0.01 0.00 -2.13 0.00 0.00 31.29 31.23 2kcv h VAL 69 CO -0.01 0.00 -0.60 0.00 -1.23 0.00 0.00 177.57 175.73 2kcv h ALA 70 N 2.05 0.25 0.00 5.19 0.00 0.05 0.86 119.26 127.67 2kcv h ALA 70 Ca 0.00 -0.54 -0.12 0.00 0.00 0.00 0.00 54.91 54.25 2kcv h ALA 70 Cb 0.97 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2kcv h ALA 70 CO 0.00 0.50 -0.56 0.07 0.00 0.00 0.00 179.25 179.26 2kcv h ARG 71 N 0.29 0.00 0.00 0.00 0.11 -1.48 -2.08 114.38 111.22 2kcv h ARG 71 Ca -0.04 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.93 2kcv h ARG 71 Cb 1.24 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.30 2kcv h ARG 71 CO 0.12 0.56 -0.76 0.93 0.10 0.00 0.00 179.97 180.92 2kcv h GLU 72 N 0.00 0.00 0.00 0.08 4.39 -1.58 -3.44 114.58 114.03 2kcv h GLU 72 Ca -0.01 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.45 2kcv h GLU 72 Cb 1.24 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.85 2kcv h GLU 72 CO 0.07 0.58 -1.33 0.39 -1.16 0.00 0.00 179.01 177.56 2kcv n GLU 73 N -4.54 0.56 -0.66 2.33 -0.58 0.27 -5.01 120.64 113.01 2kcv n GLU 73 Ca -0.19 0.56 -0.05 0.00 -0.42 0.00 0.00 57.16 57.06 2kcv n GLU 73 Cb 0.46 -1.73 0.03 0.00 -0.57 0.00 0.00 31.44 29.63 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 1.42 -0.24 4.00 0.62 0.00 -0.78 -5.02 105.19 105.20 2kcv n GLY 74 Ca -0.33 -1.82 -0.21 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.96 2.39 0.50 2.61 -4.23 -1.24 -4.61 115.64 110.09 2kcv s THR 75 Ca 0.13 -0.74 0.15 0.00 -1.18 0.00 0.00 61.69 60.05 2kcv s THR 75 Cb -0.01 -2.65 0.26 0.00 1.34 0.00 0.00 72.50 71.44 2kcv s THR 75 CO 0.09 0.00 2.11 -0.61 -0.54 0.00 0.00 174.62 175.67 2kcv h GLN 76 N -0.08 0.06 -0.19 3.99 5.75 -1.96 -2.21 115.11 120.47 2kcv h GLN 76 Ca -0.37 -0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.16 2kcv h GLN 76 Cb 1.28 -0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.79 2kcv h GLN 76 CO 0.44 0.07 -0.02 -0.22 -2.65 0.00 0.00 178.83 176.45 2kcv h LYS 77 N 0.06 0.03 -0.39 1.69 3.64 -1.95 -0.32 116.57 119.33 2kcv h LYS 77 Ca 0.02 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 2kcv h LYS 77 Cb 0.05 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.84 2kcv h LYS 77 CO 0.00 0.02 0.19 -0.44 -2.27 0.00 0.00 179.45 176.95 2kcv h ASP 78 N 0.03 0.51 -0.67 4.20 3.32 -1.77 -2.32 116.42 119.72 2kcv h ASP 78 Ca 0.09 -0.13 0.05 0.00 0.02 0.00 0.00 57.03 57.06 2kcv h ASP 78 Cb 0.13 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.50 2kcv h ASP 78 CO -0.18 0.49 0.39 0.25 -1.72 0.00 0.00 179.24 178.48 2kcv h LEU 79 N 0.49 0.61 -1.08 1.55 5.85 -1.25 -2.62 115.31 118.86 2kcv h LEU 79 Ca 0.13 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 2kcv h LEU 79 Cb 0.12 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 2kcv h LEU 79 CO -0.02 0.41 -0.30 0.28 -0.34 0.00 0.00 178.44 178.48 2kcv h SER 80 N 0.75 0.28 -0.14 1.25 0.02 -0.74 -2.00 113.55 112.97 2kcv h SER 80 Ca 0.29 -0.09 -0.04 0.00 -0.84 0.00 0.00 61.79 61.11 2kcv h SER 80 Cb 0.11 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 2kcv h SER 80 CO -0.15 0.58 -0.05 -0.33 -1.14 0.00 0.00 176.83 175.74 2kcv h GLU 81 N 0.25 0.28 -0.34 3.45 4.39 -1.08 -1.69 114.58 119.85 2kcv h GLU 81 Ca 0.03 -0.12 -0.14 0.00 0.34 0.00 0.00 59.36 59.48 2kcv h GLU 81 Cb 0.66 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.29 2kcv h GLU 81 CO 0.05 0.59 -0.34 -0.07 -1.16 0.00 0.00 179.01 178.08 2kcv h LEU 82 N -0.05 0.80 -0.08 1.33 3.38 -1.38 0.20 115.31 119.50 2kcv h LEU 82 Ca 0.03 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2kcv h LEU 82 Cb 0.50 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2kcv h LEU 82 CO 0.02 1.07 0.01 1.56 0.09 0.00 0.00 178.44 181.19 2kcv h GLN 83 N 0.64 0.14 -0.71 1.13 4.20 -1.42 -2.81 115.11 116.28 2kcv h GLN 83 Ca 0.06 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2kcv h GLN 83 Cb 0.88 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 2kcv h GLN 83 CO 0.08 0.37 0.39 0.22 -0.67 0.00 0.00 178.83 179.21 2kcv h ASP 84 N -0.10 0.89 -0.23 1.46 3.58 -1.20 -2.81 116.42 118.01 2kcv h ASP 84 Ca 0.03 -0.10 -0.02 0.00 0.42 0.00 0.00 57.03 57.36 2kcv h ASP 84 Cb 0.30 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 41.11 2kcv h ASP 84 CO 0.00 0.73 0.07 0.00 -2.88 0.00 0.00 179.24 177.16 2kcv h ALA 85 N 1.20 0.31 -0.38 -0.78 0.00 -0.95 -2.52 119.26 116.14 2kcv h ALA 85 Ca 0.25 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 2kcv h ALA 85 Cb 0.04 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2kcv h ALA 85 CO -0.04 -0.06 -0.36 1.57 0.00 0.00 0.00 179.25 180.36 2kcv h LYS 86 N 0.20 0.88 -0.43 0.00 2.10 -1.50 -1.39 116.57 116.44 2kcv h LYS 86 Ca 0.07 -0.45 -0.13 0.00 -2.00 0.00 0.00 60.65 58.14 2kcv h LYS 86 Cb 0.25 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.58 2kcv h LYS 86 CO -0.00 1.10 -0.26 1.37 -2.00 0.00 0.00 179.45 179.66 2kcv h LEU 87 N 0.73 0.94 -0.31 7.07 8.10 -1.43 -1.48 115.31 128.92 2kcv h LEU 87 Ca 0.06 -0.37 -0.18 0.00 0.11 0.00 0.00 57.88 57.51 2kcv h LEU 87 Cb 0.94 -0.26 -0.02 0.00 -0.44 0.00 0.00 40.66 40.88 2kcv h LEU 87 CO 0.09 1.14 -0.84 0.07 -4.11 0.00 0.00 178.44 174.78 2kcv h LYS 88 N 0.78 0.01 -0.32 0.17 2.10 -1.51 -3.09 116.57 114.70 2kcv h LYS 88 Ca 0.09 -0.01 -0.03 0.00 -2.00 0.00 0.00 60.65 58.71 2kcv h LYS 88 Cb 0.82 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.13 2kcv h LYS 88 CO 0.07 0.85 0.09 0.00 -2.00 0.00 0.00 179.45 178.46 2kcv h ALA 89 N 1.15 1.56 0.00 0.07 0.00 -1.02 -0.76 119.26 120.26 2kcv h ALA 89 Ca -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2kcv h ALA 89 Cb 1.49 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 2kcv h ALA 89 CO 0.11 0.33 -0.11 0.93 0.00 0.00 0.00 179.25 180.52 2kcv h GLU 90 N 0.45 0.00 0.00 0.00 4.39 -1.19 -1.81 114.58 116.42 2kcv h GLU 90 Ca 0.11 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.65 2kcv h GLU 90 Cb 0.16 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.79 2kcv h GLU 90 CO -0.01 0.11 -0.76 0.78 -1.16 0.00 0.00 179.01 177.97 2kcv h GLY 91 N 0.89 0.00 0.57 -3.84 0.00 -1.15 -3.01 103.07 96.53 2kcv h GLY 91 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.40 2kcv h GLY 91 CO 0.01 0.00 0.27 1.41 0.00 0.00 0.00 176.54 178.24 2kcv h LEU 92 N 0.00 0.36 -7.09 3.11 3.38 -0.71 -3.33 115.31 111.03 2kcv h LEU 92 Ca -0.01 0.05 -0.58 0.00 0.09 0.00 0.00 57.88 57.43 2kcv h LEU 92 Cb 1.44 -0.01 -0.40 0.00 0.09 0.00 0.00 40.66 41.78 2kcv h LEU 92 CO 0.10 0.23 -0.76 -1.83 0.09 0.00 0.00 178.44 176.27 2kcv s GLU 93 N -6.10 0.71 -1.20 1.13 -1.05 -1.21 -5.06 118.70 105.92 2kcv s GLU 93 Ca -0.13 -1.12 -0.20 0.00 -0.15 0.00 0.00 54.97 53.37 2kcv s GLU 93 Cb 0.16 -1.93 -0.03 0.00 -0.44 0.00 0.00 34.13 31.89 2kcv s GLU 93 CO 0.75 -1.01 1.90 1.58 0.95 0.00 0.00 175.26 179.42 2kcv n HIS 94 N 4.74 3.38 -3.94 4.83 -0.00 -1.14 -4.74 115.22 118.36 2kcv n HIS 94 Ca -0.01 -2.15 -0.14 0.00 -0.00 0.00 0.00 57.72 55.42 2kcv n HIS 94 Cb 0.41 -2.50 -0.14 0.00 -0.00 0.00 0.00 29.99 27.76 2kcv n HIS 94 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2kcv s HIS 95 N 6.99 0.14 0.25 1.57 5.04 -1.26 -5.11 115.29 122.90 2kcv s HIS 95 Ca 0.60 -0.01 -0.30 0.00 -1.54 0.00 0.00 55.06 53.81 2kcv s HIS 95 Cb 0.05 -0.12 -0.09 0.00 0.04 0.00 0.00 32.58 32.45 2kcv s HIS 95 CO 0.09 -0.02 1.23 -1.01 -2.34 0.00 0.00 174.74 172.70 2kcv s HIS 96 N 0.12 3.32 -1.05 3.88 3.76 -1.26 -4.94 115.29 119.13 2kcv s HIS 96 Ca -0.01 1.43 0.26 0.00 -0.15 0.00 0.00 55.06 56.59 2kcv s HIS 96 Cb -0.02 -3.51 1.12 0.00 1.11 0.00 0.00 32.58 31.28 2kcv s HIS 96 CO -0.00 -1.40 1.83 0.72 -0.85 0.00 0.00 174.74 175.04 2kcv n HIS 97 N 1.82 0.00 -3.70 1.40 -0.00 -1.26 -4.64 115.22 108.84 2kcv n HIS 97 Ca 0.03 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.63 2kcv n HIS 97 Cb 0.43 -0.48 -0.11 0.00 -0.00 0.00 0.00 29.99 29.84 2kcv n HIS 97 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kcv s HIS 98 N -2.95 -0.56 -2.00 4.41 -3.43 -1.26 -5.27 115.29 104.22 2kcv s HIS 98 Ca 0.14 1.23 0.14 0.00 -0.80 0.00 0.00 55.06 55.77 2kcv s HIS 98 Cb 0.17 0.23 0.82 0.00 -1.43 0.00 0.00 32.58 32.37 2kcv s HIS 98 CO 0.46 -0.31 1.24 1.58 -2.00 0.00 0.00 174.74 175.71