#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjc h THR 10 N 0.00 0.92 0.00 -0.44 2.02 -2.05 -3.13 112.91 110.22 2kjc h THR 10 Ca 0.00 -2.61 -0.08 0.00 0.77 0.00 0.00 66.41 64.49 2kjc h THR 10 Cb 0.00 2.63 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 2kjc h THR 10 CO 0.00 0.79 -0.36 0.44 0.37 0.00 0.00 175.52 176.76 2kjc h ASP 11 N 0.06 0.00 0.08 4.18 5.19 -2.06 -3.09 116.42 120.78 2kjc h ASP 11 Ca -0.31 0.00 -0.00 0.00 -0.62 0.00 0.00 57.03 56.09 2kjc h ASP 11 Cb 2.03 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.54 2kjc h ASP 11 CO 0.13 0.36 -0.04 0.71 -3.12 0.00 0.00 179.24 177.28 2kjc h THR 12 N 0.00 0.00 -0.63 0.35 1.35 -2.01 -2.75 112.91 109.23 2kjc h THR 12 Ca -0.00 -0.34 0.18 0.00 -0.55 0.00 0.00 66.41 65.70 2kjc h THR 12 Cb 1.08 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.47 2kjc h THR 12 CO 0.05 0.00 0.83 0.25 -0.25 0.00 0.00 175.52 176.39 2kjc h LEU 13 N -0.44 0.00 0.18 3.87 5.85 -1.68 0.24 115.31 123.33 2kjc h LEU 13 Ca -0.01 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 2kjc h LEU 13 Cb 0.08 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2kjc h LEU 13 CO 0.02 0.00 -0.09 -0.08 -0.34 0.00 0.00 178.44 177.95 2kjc h GLU 14 N 0.00 -0.23 -0.96 1.25 4.81 -1.58 -3.25 114.58 114.62 2kjc h GLU 14 Ca 0.30 0.02 0.23 0.00 -0.13 0.00 0.00 59.36 59.77 2kjc h GLU 14 Cb 1.95 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 31.31 2kjc h GLU 14 CO -0.00 0.16 0.63 -0.09 -0.73 0.00 0.00 179.01 178.98 2kjc h ARG 15 N -0.91 0.38 0.00 1.92 2.43 -0.21 0.56 114.38 118.55 2kjc h ARG 15 Ca -0.02 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2kjc h ARG 15 Cb 0.50 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.96 2kjc h ARG 15 CO 0.04 0.25 0.65 0.28 -1.51 0.00 0.00 179.97 179.69 2kjc h VAL 16 N 0.39 0.00 0.11 0.20 2.07 -1.46 1.25 116.25 118.81 2kjc h VAL 16 Ca 0.51 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 67.70 2kjc h VAL 16 Cb 1.31 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 2kjc h VAL 16 CO -0.20 0.00 -1.79 0.74 0.02 0.00 0.00 177.57 176.34 2kjc h THR 17 N 0.00 0.84 -0.23 2.57 2.02 -1.07 -3.37 112.91 113.68 2kjc h THR 17 Ca 0.00 -2.55 -0.10 0.00 0.77 0.00 0.00 66.41 64.53 2kjc h THR 17 Cb 1.31 2.59 -0.01 0.00 -1.74 0.00 0.00 68.15 70.30 2kjc h THR 17 CO 0.00 0.80 -0.30 -0.33 0.37 0.00 0.00 175.52 176.06 2kjc h GLU 18 N 0.06 0.46 0.00 6.66 5.08 0.14 -2.82 114.58 124.17 2kjc h GLU 18 Ca -0.34 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 57.82 2kjc h GLU 18 Cb 2.04 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 31.27 2kjc h GLU 18 CO 0.12 0.72 -0.02 -0.84 -1.00 0.00 0.00 179.01 177.98 2kjc h ILE 19 N 0.40 0.76 0.04 3.13 3.07 -1.57 -2.46 117.51 120.89 2kjc h ILE 19 Ca 0.05 -0.09 -0.10 0.00 1.55 0.00 0.00 64.86 66.27 2kjc h ILE 19 Cb 0.73 1.05 0.01 0.00 -0.27 0.00 0.00 36.82 38.34 2kjc h ILE 19 CO 0.06 0.02 -0.41 -0.26 -1.05 0.00 0.00 178.15 176.51 2kjc h PHE 20 N 0.00 0.34 -0.01 0.16 0.04 -1.68 -3.17 116.94 112.62 2kjc h PHE 20 Ca -0.00 -0.21 0.00 0.00 2.80 0.00 0.00 57.97 60.56 2kjc h PHE 20 Cb 0.05 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.17 2kjc h PHE 20 CO 0.00 1.08 0.46 0.87 -0.60 0.00 0.00 178.31 180.12 2kjc h LYS 21 N -0.50 0.00 -0.45 1.51 1.79 -1.37 0.71 116.57 118.26 2kjc h LYS 21 Ca -0.06 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.30 2kjc h LYS 21 Cb 1.22 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.86 2kjc h LYS 21 CO 0.08 0.00 -0.16 0.00 -1.08 0.00 0.00 179.45 178.29 2kjc h ALA 22 N 1.10 0.88 0.00 3.86 0.00 -1.49 -1.22 119.26 122.39 2kjc h ALA 22 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.57 2kjc h ALA 22 Cb 0.91 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2kjc h ALA 22 CO -0.00 0.63 0.00 1.28 0.00 0.00 0.00 179.25 181.16 2kjc n LEU 23 N -4.14 0.22 -0.02 0.00 4.32 0.24 -3.36 117.00 114.27 2kjc n LEU 23 Ca 0.01 0.54 0.21 0.00 -0.02 0.00 0.00 56.01 56.75 2kjc n LEU 23 Cb 0.40 -0.50 0.47 0.00 -1.62 0.00 0.00 43.42 42.17 2kjc n LEU 23 CO 0.44 -0.27 1.19 1.23 -1.22 0.00 0.00 177.39 178.76 2kjc h GLY 24 N 3.06 0.00 -3.20 -0.72 0.00 -1.07 -3.39 103.07 97.74 2kjc h GLY 24 Ca 0.00 0.00 -0.48 0.00 0.00 0.00 0.00 47.33 46.85 2kjc h GLY 24 CO 0.00 0.00 0.36 0.99 0.00 0.00 0.00 176.54 177.89 2kjc s ASP 25 N -3.88 7.33 0.00 0.19 1.01 -1.21 -5.02 116.67 115.09 2kjc s ASP 25 Ca -0.03 1.92 0.00 0.00 0.71 0.00 0.00 52.55 55.15 2kjc s ASP 25 Cb 0.12 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.46 2kjc s ASP 25 CO 0.40 -0.07 0.00 0.00 0.21 0.00 0.00 175.17 175.71 2kjc n TYR 26 N 0.73 0.00 0.11 4.23 9.36 -1.26 -4.17 117.16 126.15 2kjc n TYR 26 Ca 0.01 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.25 2kjc n TYR 26 Cb 0.49 -0.26 0.10 0.00 -0.63 0.00 0.00 39.34 39.04 2kjc n TYR 26 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2kjc n ASN 27 N -1.98 0.10 0.00 2.98 5.15 -1.26 0.43 115.26 120.68 2kjc n ASN 27 Ca 0.00 0.29 -0.18 0.00 -0.60 0.00 0.00 54.58 54.10 2kjc n ASN 27 Cb 0.00 -0.19 -0.10 0.00 -0.53 0.00 0.00 39.78 38.96 2kjc n ASN 27 CO 0.00 0.00 0.00 -0.09 1.40 0.00 0.00 177.26 178.57 2kjc h ARG 28 N 0.00 0.53 -0.90 1.20 1.12 -1.95 -3.15 114.38 111.23 2kjc h ARG 28 Ca 0.00 -0.52 0.07 0.00 -1.11 0.00 0.00 59.98 58.42 2kjc h ARG 28 Cb 0.98 0.14 -0.07 0.00 -0.01 0.00 0.00 29.97 31.01 2kjc h ARG 28 CO 0.00 1.15 0.56 0.97 -3.11 0.00 0.00 179.97 179.55 2kjc h ILE 29 N 0.10 1.04 -0.15 1.20 6.09 -0.20 -0.42 117.51 125.17 2kjc h ILE 29 Ca -0.08 -0.35 -0.08 0.00 -1.37 0.00 0.00 64.86 62.98 2kjc h ILE 29 Cb 1.37 -0.06 -0.01 0.00 0.47 0.00 0.00 36.82 38.58 2kjc h ILE 29 CO 0.14 0.18 -0.28 0.03 -3.07 0.00 0.00 178.15 175.15 2kjc h ARG 30 N 1.01 0.28 -0.04 2.19 3.08 -1.65 -2.80 114.38 116.45 2kjc h ARG 30 Ca 0.40 -0.10 -0.20 0.00 0.07 0.00 0.00 59.98 60.15 2kjc h ARG 30 Cb 0.20 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 2kjc h ARG 30 CO -0.18 0.55 -0.82 0.82 -1.07 0.00 0.00 179.97 179.27 2kjc h ILE 31 N 0.25 1.40 -0.84 2.04 2.04 -1.22 -3.18 117.51 118.00 2kjc h ILE 31 Ca 0.04 -2.29 -0.03 0.00 1.00 0.00 0.00 64.86 63.58 2kjc h ILE 31 Cb 0.64 2.25 -0.04 0.00 -0.74 0.00 0.00 36.82 38.93 2kjc h ILE 31 CO 0.05 0.68 0.42 -0.03 0.00 0.00 0.00 178.15 179.27 2kjc h MET 32 N 0.25 1.19 0.16 2.37 4.05 -0.88 -2.94 114.93 119.12 2kjc h MET 32 Ca -0.05 -0.16 -0.01 0.00 -0.28 0.00 0.00 59.70 59.20 2kjc h MET 32 Cb 1.42 -0.22 0.00 0.00 -0.80 0.00 0.00 31.60 32.00 2kjc h MET 32 CO 0.14 0.90 -0.08 0.93 0.23 0.00 0.00 176.91 179.02 2kjc h GLU 33 N 1.19 -0.21 0.00 0.39 4.39 -1.48 -2.30 114.58 116.54 2kjc h GLU 33 Ca 0.29 0.01 0.00 0.00 0.34 0.00 0.00 59.36 60.01 2kjc h GLU 33 Cb 0.09 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 2kjc h GLU 33 CO -0.04 -0.14 0.23 1.47 -1.16 0.00 0.00 179.01 179.37 2kjc n LEU 34 N -2.66 0.12 -0.05 1.33 -0.00 -1.22 -1.32 117.00 113.20 2kjc n LEU 34 Ca -0.03 0.39 -0.01 0.00 -0.00 0.00 0.00 56.01 56.37 2kjc n LEU 34 Cb 0.09 -0.37 -0.01 0.00 -0.00 0.00 0.00 43.42 43.13 2kjc n LEU 34 CO 0.07 -0.43 0.02 0.25 -0.00 0.00 0.00 177.39 177.29 2kjc h LEU 35 N 0.00 -0.00 -1.08 1.47 6.46 -1.24 -3.18 115.31 117.73 2kjc h LEU 35 Ca 0.00 -0.05 0.27 0.00 -0.12 0.00 0.00 57.88 57.98 2kjc h LEU 35 Cb 0.46 0.00 -0.12 0.00 -0.73 0.00 0.00 40.66 40.27 2kjc h LEU 35 CO 0.00 0.52 0.61 -1.28 -0.62 0.00 0.00 178.44 177.67 2kjc h SER 36 N -1.00 0.59 -0.67 1.25 0.87 -0.75 0.77 113.55 114.61 2kjc h SER 36 Ca -0.00 0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 2kjc h SER 36 Cb 0.05 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 2kjc h SER 36 CO 0.00 0.05 0.43 0.58 -0.53 0.00 0.00 176.83 177.36 2kjc h VAL 37 N 0.49 1.18 -1.89 2.23 2.07 -1.61 -3.45 116.25 115.26 2kjc h VAL 37 Ca 0.66 -0.36 0.14 0.00 0.82 0.00 0.00 66.70 67.96 2kjc h VAL 37 Cb 1.40 0.20 -0.18 0.00 -1.52 0.00 0.00 31.29 31.19 2kjc h VAL 37 CO -0.46 0.18 0.60 -0.94 0.02 0.00 0.00 177.57 176.96 2kjc s SER 38 N -6.43 -0.30 1.10 0.57 1.04 0.27 -5.13 113.70 104.81 2kjc s SER 38 Ca -0.10 0.09 -0.12 0.00 0.48 0.00 0.00 55.95 56.29 2kjc s SER 38 Cb 0.18 0.30 0.24 0.00 0.10 0.00 0.00 66.02 66.83 2kjc s SER 38 CO 0.77 -0.45 1.01 -0.62 0.98 0.00 0.00 173.24 174.93 2kjc n GLU 39 N 0.02 -1.84 -3.66 4.02 1.02 -1.25 -4.14 120.64 114.82 2kjc n GLU 39 Ca -0.06 -0.50 -0.06 0.00 -0.02 0.00 0.00 57.16 56.51 2kjc n GLU 39 Cb 0.60 -2.21 -0.07 0.00 -0.02 0.00 0.00 31.44 29.74 2kjc n GLU 39 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kjc s ALA 40 N -2.47 -1.66 1.00 0.62 0.00 -1.26 -4.96 121.76 113.04 2kjc s ALA 40 Ca 0.68 2.12 0.00 0.00 0.00 0.00 0.00 51.96 54.75 2kjc s ALA 40 Cb -0.24 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.48 2kjc s ALA 40 CO 0.63 -0.53 0.00 0.45 0.00 0.00 0.00 175.76 176.31 2kjc n SER 41 N 4.70 0.00 0.18 0.00 2.88 -1.26 -4.56 113.62 115.56 2kjc n SER 41 Ca -0.17 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.29 2kjc n SER 41 Cb 0.55 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.97 2kjc n SER 41 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2kjc h VAL 42 N -0.13 0.00 -0.56 2.46 2.07 -1.99 -3.29 116.25 114.80 2kjc h VAL 42 Ca 0.00 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.26 2kjc h VAL 42 Cb 0.00 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 29.74 2kjc h VAL 42 CO 0.00 0.00 0.36 1.23 0.02 0.00 0.00 177.57 179.18 2kjc h GLY 43 N -0.76 0.80 0.13 2.17 0.00 -1.96 -2.17 103.07 101.27 2kjc h GLY 43 Ca -0.05 -0.30 0.24 0.00 0.00 0.00 0.00 47.33 47.22 2kjc h GLY 43 CO 0.08 0.30 0.70 0.45 0.00 0.00 0.00 176.54 178.07 2kjc h HIS 44 N 0.77 0.00 0.16 5.60 -0.00 -1.91 0.10 115.15 119.86 2kjc h HIS 44 Ca 0.21 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.57 2kjc h HIS 44 Cb -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.34 2kjc h HIS 44 CO 0.00 0.00 -0.08 0.82 -0.00 0.00 0.00 177.93 178.67 2kjc h ILE 45 N 0.00 0.75 0.00 2.45 2.04 -1.45 -3.12 117.51 118.18 2kjc h ILE 45 Ca 0.40 -1.16 0.00 0.00 1.00 0.00 0.00 64.86 65.10 2kjc h ILE 45 Cb 1.79 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 39.16 2kjc h ILE 45 CO -0.00 0.21 0.00 -1.54 0.00 0.00 0.00 178.15 176.81 2kjc n SER 46 N -4.91 0.00 -0.27 1.72 3.41 -0.63 -4.11 113.62 108.84 2kjc n SER 46 Ca -0.07 -0.11 0.07 0.00 -0.26 0.00 0.00 58.87 58.50 2kjc n SER 46 Cb 0.25 -0.19 0.15 0.00 -0.26 0.00 0.00 64.21 64.16 2kjc n SER 46 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2kjc n HIS 47 N -1.19 0.35 -0.11 7.33 -0.00 0.25 0.85 115.22 122.70 2kjc n HIS 47 Ca 0.09 0.93 -0.24 0.00 -0.00 0.00 0.00 57.72 58.50 2kjc n HIS 47 Cb 0.10 -0.99 -0.11 0.00 -0.00 0.00 0.00 29.99 28.98 2kjc n HIS 47 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2kjc n GLN 48 N -5.18 0.63 0.34 1.57 6.02 -1.26 -4.59 117.38 114.91 2kjc n GLN 48 Ca 0.14 0.27 -0.18 0.00 -0.01 0.00 0.00 57.00 57.23 2kjc n GLN 48 Cb 0.46 -1.57 -0.09 0.00 1.02 0.00 0.00 30.24 30.06 2kjc n GLN 48 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2kjc h LEU 49 N -0.52 -1.08 -2.35 1.08 3.38 -1.61 -3.48 115.31 110.73 2kjc h LEU 49 Ca -0.57 0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2kjc h LEU 49 Cb 1.72 0.33 -0.03 0.00 0.09 0.00 0.00 40.66 42.78 2kjc h LEU 49 CO -0.21 -0.63 -1.07 0.59 0.09 0.00 0.00 178.44 177.21 2kjc n ASN 50 N -5.54 -6.40 0.07 -0.43 4.13 0.25 -5.02 115.26 102.32 2kjc n ASN 50 Ca -0.13 1.25 0.00 0.00 1.68 0.00 0.00 54.58 57.38 2kjc n ASN 50 Cb 0.43 -4.61 0.00 0.00 -1.54 0.00 0.00 39.78 34.06 2kjc n ASN 50 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 2kjc n LEU 51 N 1.06 -0.43 -3.66 3.41 7.94 -1.26 -5.12 117.00 118.95 2kjc n LEU 51 Ca -0.08 0.26 -0.06 0.00 -1.11 0.00 0.00 56.01 55.02 2kjc n LEU 51 Cb 0.20 0.54 -0.08 0.00 0.53 0.00 0.00 43.42 44.61 2kjc n LEU 51 CO 0.35 -0.54 0.12 -0.44 -1.11 0.00 0.00 177.39 175.78 2kjc s SER 52 N -3.88 -0.61 0.16 1.96 0.01 -1.26 -5.03 113.70 105.05 2kjc s SER 52 Ca 0.00 1.21 -0.02 0.00 1.31 0.00 0.00 55.95 58.46 2kjc s SER 52 Cb 0.00 1.64 0.01 0.00 0.21 0.00 0.00 66.02 67.88 2kjc s SER 52 CO 0.00 -0.23 1.40 1.56 0.41 0.00 0.00 173.24 176.38 2kjc h GLN 53 N 7.98 0.38 -0.05 12.44 4.20 -2.00 -2.99 115.11 135.07 2kjc h GLN 53 Ca -0.19 -0.34 0.01 0.00 0.06 0.00 0.00 58.65 58.19 2kjc h GLN 53 Cb 1.12 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.98 2kjc h GLN 53 CO 0.13 1.00 0.05 0.77 -0.67 0.00 0.00 178.83 180.11 2kjc h SER 54 N 0.24 0.00 0.05 1.46 0.02 -2.00 -1.02 113.55 112.30 2kjc h SER 54 Ca -0.04 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.63 2kjc h SER 54 Cb 1.39 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.96 2kjc h SER 54 CO 0.14 0.00 -1.11 0.78 -1.14 0.00 0.00 176.83 175.50 2kjc h ASN 55 N 0.00 0.89 -0.92 3.07 4.21 -1.95 -3.11 115.58 117.77 2kjc h ASN 55 Ca 0.02 -0.77 0.02 0.00 1.21 0.00 0.00 56.30 56.78 2kjc h ASN 55 Cb 0.13 -0.28 -0.05 0.00 -1.12 0.00 0.00 38.32 37.00 2kjc h ASN 55 CO -0.00 1.56 0.60 0.58 -1.29 0.00 0.00 177.43 178.88 2kjc h VAL 56 N 0.32 1.19 -0.36 2.81 2.07 -1.18 0.11 116.25 121.22 2kjc h VAL 56 Ca -0.15 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.93 2kjc h VAL 56 Cb 1.77 -0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2kjc h VAL 56 CO 0.22 0.22 0.12 0.77 0.02 0.00 0.00 177.57 178.91 2kjc h SER 57 N 1.20 0.46 0.18 0.57 4.64 -1.46 0.21 113.55 119.35 2kjc h SER 57 Ca 0.35 -0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.61 2kjc h SER 57 Cb -0.07 -0.12 0.00 0.00 -0.31 0.00 0.00 62.40 61.91 2kjc h SER 57 CO -0.10 0.45 -0.08 -0.74 -0.87 0.00 0.00 176.83 175.49 2kjc h HIS 58 N 0.51 -0.22 -0.49 4.77 6.17 -1.13 -3.10 115.15 121.66 2kjc h HIS 58 Ca 0.12 -0.01 0.10 0.00 0.71 0.00 0.00 60.37 61.30 2kjc h HIS 58 Cb 0.15 0.07 -0.09 0.00 2.52 0.00 0.00 27.41 30.06 2kjc h HIS 58 CO 0.01 -0.14 -0.13 1.96 0.71 0.00 0.00 177.93 180.34 2kjc h GLN 59 N -0.62 -0.01 -1.03 5.26 4.20 -1.05 0.93 115.11 122.80 2kjc h GLN 59 Ca -0.02 0.00 0.25 0.00 0.06 0.00 0.00 58.65 58.94 2kjc h GLN 59 Cb 0.18 0.00 -0.10 0.00 0.30 0.00 0.00 27.48 27.86 2kjc h GLN 59 CO 0.04 -0.01 0.65 1.25 -0.67 0.00 0.00 178.83 180.09 2kjc h LEU 60 N -0.01 0.52 -0.66 1.46 5.85 -1.08 0.35 115.31 121.75 2kjc h LEU 60 Ca 0.24 0.10 -0.14 0.00 0.84 0.00 0.00 57.88 58.91 2kjc h LEU 60 Cb 0.37 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2kjc h LEU 60 CO -0.51 0.11 -0.44 0.50 -0.34 0.00 0.00 178.44 177.75 2kjc h LYS 61 N 0.47 0.53 -0.83 1.25 1.63 -0.74 -3.02 116.57 115.84 2kjc h LYS 61 Ca 0.60 -0.28 -0.00 0.00 -0.85 0.00 0.00 60.65 60.11 2kjc h LYS 61 Cb 1.39 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.99 2kjc h LYS 61 CO -0.34 0.87 0.50 1.25 -3.45 0.00 0.00 179.45 178.28 2kjc h LEU 62 N 0.43 0.99 -1.81 5.20 5.85 0.18 -0.67 115.31 125.48 2kjc h LEU 62 Ca 0.03 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 2kjc h LEU 62 Cb 0.95 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 2kjc h LEU 62 CO 0.08 0.76 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.84 2kjc h LEU 63 N 1.14 0.00 -1.10 2.25 3.38 -1.33 -1.68 115.31 117.98 2kjc h LEU 63 Ca 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.25 2kjc h LEU 63 Cb -0.05 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 2kjc h LEU 63 CO -0.06 0.04 -0.09 0.50 0.09 0.00 0.00 178.44 178.92 2kjc h LYS 64 N 0.00 0.00 0.39 1.13 3.64 -1.08 -3.05 116.57 117.60 2kjc h LYS 64 Ca -0.00 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.36 2kjc h LYS 64 Cb 0.40 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2kjc h LYS 64 CO 0.00 0.09 -0.19 0.66 -2.27 0.00 0.00 179.45 177.75 2kjc h SER 65 N 0.00 -0.44 0.00 4.20 4.64 -1.26 -3.01 113.55 117.67 2kjc h SER 65 Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2kjc h SER 65 Cb 0.68 0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 2kjc h SER 65 CO 0.01 -0.00 0.01 0.52 -0.87 0.00 0.00 176.83 176.50 2kjc n VAL 66 N -5.12 1.26 -1.02 0.95 0.31 -1.23 -4.75 118.33 108.72 2kjc n VAL 66 Ca -0.07 0.33 -0.01 0.00 -0.01 0.00 0.00 64.34 64.58 2kjc n VAL 66 Cb 0.22 -1.33 -0.00 0.00 -0.91 0.00 0.00 33.84 31.82 2kjc n VAL 66 CO 0.00 0.00 0.00 1.57 -1.32 0.00 0.00 176.83 177.08 2kjc n HIS 67 N -1.31 0.00 0.15 3.52 -0.00 -1.14 -4.82 115.22 111.63 2kjc n HIS 67 Ca 0.00 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.20 2kjc n HIS 67 Cb 0.01 -1.39 0.09 0.00 -0.12 0.00 0.00 29.99 28.58 2kjc n HIS 67 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 2kjc n LEU 68 N -0.09 0.00 -4.04 0.27 4.77 -1.19 -4.68 117.00 112.04 2kjc n LEU 68 Ca -0.01 0.46 -0.09 0.00 -0.03 0.00 0.00 56.01 56.35 2kjc n LEU 68 Cb 0.34 -0.46 -0.09 0.00 -2.33 0.00 0.00 43.42 40.88 2kjc n LEU 68 CO 0.01 -0.40 -0.24 -0.69 -1.33 0.00 0.00 177.39 174.75 2kjc s VAL 69 N -2.93 0.15 -0.05 4.08 1.01 -1.25 -4.52 120.40 116.88 2kjc s VAL 69 Ca 0.02 -1.65 -0.03 0.00 0.00 0.00 0.00 61.98 60.33 2kjc s VAL 69 Cb 0.03 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.74 2kjc s VAL 69 CO 0.07 -0.66 0.11 -0.75 0.00 0.00 0.00 175.10 173.87 2kjc s LYS 70 N -3.95 0.09 0.21 2.72 2.20 -1.25 -4.80 119.74 114.95 2kjc s LYS 70 Ca 0.13 0.23 0.07 0.00 -0.36 0.00 0.00 55.97 56.05 2kjc s LYS 70 Cb 0.06 -0.07 -0.04 0.00 -1.51 0.00 0.00 37.83 36.27 2kjc s LYS 70 CO -0.05 -0.09 0.06 0.00 -0.36 0.00 0.00 175.35 174.91 2kjc s ALA 71 N 0.60 3.32 0.04 3.13 0.00 -1.26 -3.59 121.76 124.01 2kjc s ALA 71 Ca -0.05 -1.41 -0.00 0.00 0.00 0.00 0.00 51.96 50.50 2kjc s ALA 71 Cb -0.06 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 2kjc s ALA 71 CO -0.03 0.40 -0.03 -1.59 0.00 0.00 0.00 175.76 174.51 2kjc s LYS 72 N -3.29 0.50 0.09 0.00 -2.85 -1.19 -5.04 119.74 107.96 2kjc s LYS 72 Ca 0.30 -0.98 -0.19 0.00 -1.00 0.00 0.00 55.97 54.09 2kjc s LYS 72 Cb -0.09 0.15 -0.07 0.00 -2.06 0.00 0.00 37.83 35.77 2kjc s LYS 72 CO 0.21 -0.08 0.59 0.50 0.10 0.00 0.00 175.35 176.66 2kjc s ARG 73 N -2.95 4.21 -0.29 1.78 3.52 -1.26 -2.60 118.95 121.36 2kjc s ARG 73 Ca -0.02 0.75 0.03 0.00 -0.13 0.00 0.00 55.73 56.36 2kjc s ARG 73 Cb 0.01 -3.20 0.17 0.00 -1.56 0.00 0.00 34.95 30.37 2kjc s ARG 73 CO -0.06 0.61 0.44 -1.14 -0.81 0.00 0.00 175.30 174.33 2kjc s GLN 74 N -1.22 0.44 5.97 5.12 0.74 -0.58 -4.94 119.66 125.18 2kjc s GLN 74 Ca 0.31 0.17 0.00 0.00 0.05 0.00 0.00 55.36 55.88 2kjc s GLN 74 Cb -0.19 -0.23 0.00 0.00 1.10 0.00 0.00 33.01 33.69 2kjc s GLN 74 CO 0.20 -1.04 0.00 0.41 -0.55 0.00 0.00 175.29 174.30 2kjc n GLY 75 N 5.34 1.06 1.88 2.59 0.00 -1.26 -2.83 105.19 111.97 2kjc n GLY 75 Ca 0.02 -0.62 -0.06 0.00 0.00 0.00 0.00 46.02 45.36 2kjc n GLY 75 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kjc n GLN 76 N 12.48 3.46 -3.98 1.61 7.27 -1.26 -4.95 117.38 132.01 2kjc n GLN 76 Ca 0.00 -3.08 -0.09 0.00 0.07 0.00 0.00 57.00 53.89 2kjc n GLN 76 Cb 0.00 -2.16 -0.06 0.00 2.41 0.00 0.00 30.24 30.43 2kjc n GLN 76 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2kjc s SER 77 N -1.23 -0.07 0.02 1.69 1.04 -1.13 -5.17 113.70 108.85 2kjc s SER 77 Ca 0.54 -0.91 0.06 0.00 0.48 0.00 0.00 55.95 56.12 2kjc s SER 77 Cb 0.44 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 67.07 2kjc s SER 77 CO 0.12 -1.07 -0.17 0.00 0.98 0.00 0.00 173.24 173.10 2kjc s MET 78 N -4.01 2.19 -0.14 4.02 0.23 -1.26 -1.53 119.30 118.80 2kjc s MET 78 Ca 0.22 -0.91 0.01 0.00 -1.03 0.00 0.00 55.69 53.97 2kjc s MET 78 Cb 0.00 -2.24 -0.01 0.00 -1.53 0.00 0.00 34.83 31.06 2kjc s MET 78 CO 0.07 0.56 -0.16 0.42 -2.03 0.00 0.00 175.02 173.88 2kjc s ILE 79 N -0.88 2.70 -0.02 3.16 -1.09 -1.07 -4.97 121.20 119.03 2kjc s ILE 79 Ca 0.14 -0.77 -0.16 0.00 -2.23 0.00 0.00 60.65 57.63 2kjc s ILE 79 Cb -0.11 -2.13 -0.06 0.00 -1.58 0.00 0.00 42.46 38.59 2kjc s ILE 79 CO 0.04 0.52 0.43 -0.31 -1.23 0.00 0.00 174.94 174.40 2kjc s TYR 80 N 0.63 3.70 0.24 3.97 2.02 -1.26 -3.19 117.35 123.46 2kjc s TYR 80 Ca -0.09 0.99 -0.06 0.00 -0.37 0.00 0.00 57.07 57.55 2kjc s TYR 80 Cb -0.16 -2.35 0.02 0.00 -0.40 0.00 0.00 41.96 39.07 2kjc s TYR 80 CO 0.03 0.55 0.42 0.43 -1.57 0.00 0.00 175.55 175.41 2kjc n SER 81 N 2.15 -1.21 -4.76 2.29 7.64 -1.24 -4.19 113.62 114.31 2kjc n SER 81 Ca -0.13 -2.14 -0.39 0.00 1.01 0.00 0.00 58.87 57.23 2kjc n SER 81 Cb 0.52 2.10 0.00 0.00 -1.01 0.00 0.00 64.21 65.82 2kjc n SER 81 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kjc s LEU 82 N 0.00 4.12 0.32 -3.43 1.43 -1.26 -3.92 118.68 115.93 2kjc s LEU 82 Ca 0.15 2.65 0.25 0.00 -1.03 0.00 0.00 54.13 56.14 2kjc s LEU 82 Cb -0.02 -4.01 0.60 0.00 0.03 0.00 0.00 46.19 42.79 2kjc s LEU 82 CO 0.11 -1.01 1.70 -0.78 0.23 0.00 0.00 176.35 176.60 2kjc h ASP 83 N 2.36 0.00 -5.37 2.29 1.82 -1.86 -3.44 116.42 112.23 2kjc h ASP 83 Ca -0.50 0.00 0.26 0.00 -0.39 0.00 0.00 57.03 56.40 2kjc h ASP 83 Cb 1.26 0.00 -0.12 0.00 0.68 0.00 0.00 39.33 41.15 2kjc h ASP 83 CO 0.61 0.00 0.70 -0.62 -1.61 0.00 0.00 179.24 178.32 2kjc s ASP 84 N -5.30 -0.13 0.01 2.28 2.15 -1.26 -4.94 116.67 109.48 2kjc s ASP 84 Ca 0.09 -0.19 0.23 0.00 0.43 0.00 0.00 52.55 53.11 2kjc s ASP 84 Cb 0.09 0.27 0.96 0.00 -0.30 0.00 0.00 42.92 43.95 2kjc s ASP 84 CO 0.63 -0.50 1.73 2.30 -0.17 0.00 0.00 175.17 179.16 2kjc n ILE 85 N -0.42 0.45 0.18 4.11 -5.35 -1.26 -3.01 119.36 114.06 2kjc n ILE 85 Ca -0.07 0.10 0.02 0.00 -0.27 0.00 0.00 62.75 62.54 2kjc n ILE 85 Cb 0.62 -0.73 0.32 0.00 -1.74 0.00 0.00 39.64 38.11 2kjc n ILE 85 CO 0.00 0.00 0.00 0.45 -1.76 0.00 0.00 176.55 175.24 2kjc h HIS 86 N 0.00 0.00 -0.29 4.28 3.86 -2.01 -3.13 115.15 117.86 2kjc h HIS 86 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2kjc h HIS 86 Cb 0.40 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.85 2kjc h HIS 86 CO 0.00 0.43 0.15 0.28 0.86 0.00 0.00 177.93 179.65 2kjc h VAL 87 N 0.00 1.14 -0.84 2.45 2.07 -1.96 -1.29 116.25 117.82 2kjc h VAL 87 Ca -0.00 -0.37 0.16 0.00 0.82 0.00 0.00 66.70 67.30 2kjc h VAL 87 Cb 0.78 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 31.33 2kjc h VAL 87 CO 0.06 0.14 0.55 0.00 0.02 0.00 0.00 177.57 178.33 2kjc h ALA 88 N 1.02 2.01 0.07 1.67 0.00 -1.75 -1.39 119.26 120.90 2kjc h ALA 88 Ca 0.10 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 2kjc h ALA 88 Cb 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kjc h ALA 88 CO -0.02 -0.25 -0.03 1.15 0.00 0.00 0.00 179.25 180.10 2kjc h THR 89 N 0.53 0.00 -1.07 0.00 2.02 -1.55 -3.20 112.91 109.65 2kjc h THR 89 Ca 0.42 -0.65 0.36 0.00 0.77 0.00 0.00 66.41 67.31 2kjc h THR 89 Cb 0.85 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 67.11 2kjc h THR 89 CO -0.17 0.00 0.62 -0.03 0.37 0.00 0.00 175.52 176.32 2kjc h MET 90 N -0.74 0.20 0.11 6.66 -1.53 -1.13 0.60 114.93 119.10 2kjc h MET 90 Ca -0.01 -0.01 -0.01 0.00 -3.44 0.00 0.00 59.70 56.23 2kjc h MET 90 Cb 0.07 -0.05 0.00 0.00 -0.55 0.00 0.00 31.60 31.07 2kjc h MET 90 CO 0.01 0.13 -0.05 1.25 0.14 0.00 0.00 176.91 178.39 2kjc h LEU 91 N 0.21 -0.13 -0.35 3.39 5.85 -1.37 -2.86 115.31 120.05 2kjc h LEU 91 Ca 0.77 0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.52 2kjc h LEU 91 Cb 1.97 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 43.01 2kjc h LEU 91 CO -0.59 -0.09 0.17 0.11 -0.34 0.00 0.00 178.44 177.70 2kjc h LYS 92 N -0.16 0.34 -0.22 1.25 1.57 -1.33 -1.74 116.57 116.27 2kjc h LYS 92 Ca -0.02 -0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.81 2kjc h LYS 92 Cb 0.12 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2kjc h LYS 92 CO 0.03 0.22 0.59 0.37 -0.57 0.00 0.00 179.45 180.09 2kjc h GLN 93 N 0.35 0.00 0.02 3.15 4.15 0.12 -0.35 115.11 122.54 2kjc h GLN 93 Ca 0.15 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.57 2kjc h GLN 93 Cb 0.07 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.76 2kjc h GLN 93 CO -0.11 0.00 -0.01 0.00 -1.93 0.00 0.00 178.83 176.78 2kjc h ALA 94 N 1.02 -0.03 0.00 3.38 0.00 -1.07 -3.20 119.26 119.36 2kjc h ALA 94 Ca 0.10 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kjc h ALA 94 Cb 1.29 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 2kjc h ALA 94 CO -0.00 -0.05 0.04 -0.89 0.00 0.00 0.00 179.25 178.35 2kjc n ILE 95 N -4.70 1.30 0.00 0.00 -0.00 -0.19 -1.99 119.36 113.79 2kjc n ILE 95 Ca -0.07 0.65 -0.09 0.00 -0.00 0.00 0.00 62.75 63.23 2kjc n ILE 95 Cb 0.34 -1.65 -0.07 0.00 -0.00 0.00 0.00 39.64 38.25 2kjc n ILE 95 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.55 177.00 2kjc h HIS 96 N 0.00 -0.11 -0.31 1.39 3.86 -1.43 -3.26 115.15 115.29 2kjc h HIS 96 Ca 0.00 -0.00 0.07 0.00 -1.16 0.00 0.00 60.37 59.27 2kjc h HIS 96 Cb 0.09 0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 2kjc h HIS 96 CO 0.00 0.36 0.21 1.25 0.86 0.00 0.00 177.93 180.62 2kjc h HIS 97 N -0.93 0.11 -0.28 2.45 -0.00 -1.43 -2.07 115.15 113.00 2kjc h HIS 97 Ca -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.41 2kjc h HIS 97 Cb 0.53 -0.04 -0.05 0.00 -0.00 0.00 0.00 27.41 27.85 2kjc h HIS 97 CO 0.11 0.06 -0.01 0.00 -0.00 0.00 0.00 177.93 178.09 2kjc h ALA 98 N 1.84 0.24 -2.99 5.26 0.00 -1.56 -3.46 119.26 118.59 2kjc h ALA 98 Ca 0.14 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2kjc h ALA 98 Cb 0.42 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2kjc h ALA 98 CO -0.02 -0.42 0.21 0.54 0.00 0.00 0.00 179.25 179.56 2kjc s ASN 99 N -5.24 0.08 -0.44 0.00 2.20 -0.78 -5.12 114.94 105.64 2kjc s ASN 99 Ca -0.13 -1.13 0.06 0.00 -0.94 0.00 0.00 52.86 50.72 2kjc s ASN 99 Cb 0.12 0.81 0.20 0.00 -2.00 0.00 0.00 41.25 40.38 2kjc s ASN 99 CO 0.70 -1.60 0.52 1.41 -2.94 0.00 0.00 177.10 175.19 2kjc n HIS 100 N -0.52 -1.78 -0.27 1.54 8.25 -1.26 -4.56 115.22 116.62 2kjc n HIS 100 Ca -0.07 -2.73 0.07 0.00 -0.26 0.00 0.00 57.72 54.73 2kjc n HIS 100 Cb 0.60 0.57 0.19 0.00 1.12 0.00 0.00 29.99 32.47 2kjc n HIS 100 CO 0.00 0.00 0.00 -1.35 0.64 0.00 0.00 176.34 175.63 2kjc h PRO 101 N 4.99 0.11 0.00 -0.41 0.11 -1.97 -3.38 132.00 131.45 2kjc h PRO 101 Ca 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 2kjc h PRO 101 Cb 0.96 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2kjc h PRO 101 CO 0.30 0.07 0.00 0.36 -0.21 0.00 0.00 178.00 178.52 2kjc n LYS 102 N -5.34 0.00 0.00 1.05 2.85 -1.26 -5.36 118.16 110.10 2kjc n LYS 102 Ca 0.15 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.43 2kjc n LYS 102 Cb 0.52 0.00 0.12 0.00 -0.65 0.00 0.00 35.03 35.03 2kjc n LYS 102 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74