#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 0.59 0.00 -0.44 1.35 -2.06 -3.16 112.91 109.20 2kjc h THR 10 Ca 0.00 -1.85 -0.00 0.00 -0.55 0.00 0.00 66.41 64.01 2kjc h THR 10 Cb 0.00 2.28 -0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2kjc h THR 10 CO 0.00 0.34 -0.09 -0.78 -0.25 0.00 0.00 175.52 174.74 2kjc h ASP 11 N 0.00 0.00 0.00 5.36 3.58 -2.05 -3.25 116.42 120.06 2kjc h ASP 11 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 2kjc h ASP 11 Cb 1.28 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.33 2kjc h ASP 11 CO 0.05 0.01 0.00 0.35 -2.88 0.00 0.00 179.24 176.77 2kjc n THR 12 N -3.07 0.00 0.29 2.25 -2.24 -1.19 -2.10 114.28 108.22 2kjc n THR 12 Ca 0.04 0.72 0.10 0.00 -2.27 0.00 0.00 64.05 62.64 2kjc n THR 12 Cb 0.54 -1.65 0.46 0.00 -2.10 0.00 0.00 70.33 67.58 2kjc n THR 12 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2kjc h LEU 13 N 0.00 0.00 0.09 3.22 4.07 -1.73 0.80 115.31 121.76 2kjc h LEU 13 Ca 0.00 0.00 -0.14 0.00 0.08 0.00 0.00 57.88 57.82 2kjc h LEU 13 Cb 0.00 0.00 0.02 0.00 1.08 0.00 0.00 40.66 41.76 2kjc h LEU 13 CO 0.00 0.00 -0.61 -0.33 -1.08 0.00 0.00 178.44 176.42 2kjc h GLU 14 N 0.00 0.25 0.00 1.13 4.39 -1.60 -2.71 114.58 116.04 2kjc h GLU 14 Ca 0.04 -0.40 -0.17 0.00 0.34 0.00 0.00 59.36 59.17 2kjc h GLU 14 Cb 1.35 0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 30.12 2kjc h GLU 14 CO -0.00 1.17 -0.96 -0.09 -1.16 0.00 0.00 179.01 177.96 2kjc h ARG 15 N -0.46 0.00 0.01 2.33 2.43 0.67 -3.23 114.38 116.14 2kjc h ARG 15 Ca -0.10 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.81 2kjc h ARG 15 Cb 1.46 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 31.03 2kjc h ARG 15 CO 0.12 0.58 -1.02 0.28 -1.51 0.00 0.00 179.97 178.42 2kjc h VAL 16 N 0.00 1.29 0.00 0.20 2.07 0.14 -3.02 116.25 116.94 2kjc h VAL 16 Ca -0.07 -2.25 0.00 0.00 0.82 0.00 0.00 66.70 65.20 2kjc h VAL 16 Cb 1.59 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 33.81 2kjc h VAL 16 CO 0.08 0.69 0.00 0.74 0.02 0.00 0.00 177.57 179.10 2kjc h THR 17 N 0.33 0.00 0.01 2.57 2.02 -1.60 -3.26 112.91 112.98 2kjc h THR 17 Ca -0.13 -0.38 -0.00 0.00 0.77 0.00 0.00 66.41 66.67 2kjc h THR 17 Cb 1.68 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 2kjc h THR 17 CO 0.20 0.00 -0.01 -0.08 0.37 0.00 0.00 175.52 176.00 2kjc h GLU 18 N 0.00 -0.02 -0.82 6.66 4.81 -1.55 -3.25 114.58 120.41 2kjc h GLU 18 Ca 0.00 0.00 0.24 0.00 -0.13 0.00 0.00 59.36 59.47 2kjc h GLU 18 Cb 0.39 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 2kjc h GLU 18 CO 0.00 -0.01 0.97 0.44 -0.73 0.00 0.00 179.01 179.68 2kjc n ILE 19 N -2.15 0.00 0.00 2.32 -5.35 -1.15 -0.36 119.36 112.67 2kjc n ILE 19 Ca -0.00 1.00 0.00 0.00 -0.27 0.00 0.00 62.75 63.47 2kjc n ILE 19 Cb 0.01 -1.79 0.00 0.00 -1.74 0.00 0.00 39.64 36.12 2kjc n ILE 19 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2kjc n PHE 20 N -2.83 0.00 0.16 4.28 3.72 -1.25 -3.72 117.46 117.81 2kjc n PHE 20 Ca 0.19 0.00 0.18 0.00 -0.05 0.00 0.00 57.45 57.77 2kjc n PHE 20 Cb 1.22 -0.48 0.71 0.00 -0.94 0.00 0.00 39.48 39.99 2kjc n PHE 20 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2kjc h LYS 21 N 0.00 0.00 0.00 -1.08 1.57 -0.76 0.11 116.57 116.41 2kjc h LYS 21 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kjc h LYS 21 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2kjc h LYS 21 CO 0.00 0.00 0.21 0.00 -0.57 0.00 0.00 179.45 179.09 2kjc h ALA 22 N 1.29 1.20 -0.34 3.86 0.00 -0.78 0.51 119.26 125.00 2kjc h ALA 22 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2kjc h ALA 22 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2kjc h ALA 22 CO -0.00 -0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.33 2kjc n LEU 23 N -2.80 2.18 0.00 0.00 7.99 0.39 -4.57 117.00 120.19 2kjc n LEU 23 Ca -0.02 -1.10 0.00 0.00 -0.01 0.00 0.00 56.01 54.88 2kjc n LEU 23 Cb 0.26 -0.31 0.00 0.00 -0.11 0.00 0.00 43.42 43.26 2kjc n LEU 23 CO 0.14 0.46 0.26 0.61 -1.51 0.00 0.00 177.39 177.35 2kjc n GLY 24 N 0.90 -3.32 3.54 -0.72 0.00 0.18 -4.59 105.19 101.18 2kjc n GLY 24 Ca 0.12 0.40 -0.50 0.00 0.00 0.00 0.00 46.02 46.05 2kjc n GLY 24 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kjc n ASP 25 N -0.80 0.71 0.12 1.61 9.92 -1.26 -4.85 116.55 122.00 2kjc n ASP 25 Ca 0.00 1.15 -0.02 0.00 -0.53 0.00 0.00 54.79 55.38 2kjc n ASP 25 Cb 0.00 -1.14 0.14 0.00 -0.64 0.00 0.00 41.12 39.48 2kjc n ASP 25 CO 0.00 0.00 0.00 1.88 0.13 0.00 0.00 177.20 179.21 2kjc h TYR 26 N 2.76 0.04 -0.77 1.24 0.05 -1.98 -3.20 116.97 115.10 2kjc h TYR 26 Ca -0.41 -0.02 0.17 0.00 0.05 0.00 0.00 58.73 58.52 2kjc h TYR 26 Cb 1.37 -0.01 -0.11 0.00 1.01 0.00 0.00 36.73 39.00 2kjc h TYR 26 CO 0.52 0.67 0.25 -0.97 -1.05 0.00 0.00 178.16 177.58 2kjc h ASN 27 N 0.02 0.14 -0.49 3.88 -0.73 -1.95 0.09 115.58 116.54 2kjc h ASN 27 Ca -0.01 0.14 -0.09 0.00 1.87 0.00 0.00 56.30 58.21 2kjc h ASN 27 Cb 1.15 0.16 -0.02 0.00 0.27 0.00 0.00 38.32 39.88 2kjc h ASN 27 CO 0.09 0.01 -0.03 0.03 -0.37 0.00 0.00 177.43 177.15 2kjc h ARG 28 N 0.34 0.93 -0.04 6.67 3.08 -1.93 -2.73 114.38 120.70 2kjc h ARG 28 Ca 0.44 -0.29 0.01 0.00 0.07 0.00 0.00 59.98 60.21 2kjc h ARG 28 Cb 0.75 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.71 2kjc h ARG 28 CO -0.48 0.94 0.03 0.82 -1.07 0.00 0.00 179.97 180.21 2kjc h ILE 29 N 0.85 0.86 -0.22 2.04 2.04 -1.08 -1.65 117.51 120.36 2kjc h ILE 29 Ca 0.15 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.89 2kjc h ILE 29 Cb 0.55 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 2kjc h ILE 29 CO 0.03 0.00 -0.39 -0.09 0.00 0.00 0.00 178.15 177.70 2kjc h ARG 30 N 0.00 0.50 0.00 2.37 9.65 -1.14 -2.19 114.38 123.57 2kjc h ARG 30 Ca 0.02 -0.24 0.00 0.00 -1.10 0.00 0.00 59.98 58.66 2kjc h ARG 30 Cb 0.09 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.67 2kjc h ARG 30 CO -0.00 0.81 -0.09 0.82 2.80 0.00 0.00 179.97 184.30 2kjc h ILE 31 N 0.41 0.00 0.23 1.20 5.03 -1.38 -2.17 117.51 120.84 2kjc h ILE 31 Ca 0.04 -0.63 -0.34 0.00 -0.12 0.00 0.00 64.86 63.80 2kjc h ILE 31 Cb 0.86 1.58 0.03 0.00 -3.03 0.00 0.00 36.82 36.26 2kjc h ILE 31 CO 0.07 0.00 -1.57 -0.03 -0.68 0.00 0.00 178.15 175.94 2kjc h MET 32 N 0.00 0.49 0.20 2.37 4.05 -1.10 -2.95 114.93 118.00 2kjc h MET 32 Ca 0.00 -0.84 -0.28 0.00 -0.28 0.00 0.00 59.70 58.30 2kjc h MET 32 Cb 0.82 0.31 0.03 0.00 -0.80 0.00 0.00 31.60 31.96 2kjc h MET 32 CO 0.00 1.40 -1.25 1.05 0.23 0.00 0.00 176.91 178.34 2kjc h GLU 33 N 0.13 0.43 0.19 0.39 4.11 -1.46 -3.14 114.58 115.23 2kjc h GLU 33 Ca -0.29 -0.74 -0.01 0.00 0.07 0.00 0.00 59.36 58.40 2kjc h GLU 33 Cb 2.15 0.27 0.00 0.00 0.50 0.00 0.00 28.75 31.68 2kjc h GLU 33 CO 0.24 1.35 -0.09 1.25 0.07 0.00 0.00 179.01 181.84 2kjc h LEU 34 N -0.07 -0.21 -0.70 3.06 7.12 -1.55 -3.23 115.31 119.74 2kjc h LEU 34 Ca -0.22 0.01 0.15 0.00 0.13 0.00 0.00 57.88 57.94 2kjc h LEU 34 Cb 1.95 0.05 -0.13 0.00 -0.53 0.00 0.00 40.66 42.01 2kjc h LEU 34 CO 0.21 -0.09 -0.08 0.25 -0.13 0.00 0.00 178.44 178.60 2kjc h LEU 35 N -0.37 -0.48 -1.00 2.25 5.85 -1.70 0.15 115.31 120.02 2kjc h LEU 35 Ca -0.03 0.19 0.35 0.00 0.84 0.00 0.00 57.88 59.24 2kjc h LEU 35 Cb 0.19 0.37 -0.16 0.00 0.37 0.00 0.00 40.66 41.43 2kjc h LEU 35 CO 0.04 -0.19 0.55 0.77 -0.34 0.00 0.00 178.44 179.26 2kjc h SER 36 N 0.05 0.43 -0.20 1.25 4.64 -1.63 1.59 113.55 119.68 2kjc h SER 36 Ca 0.36 0.22 -0.07 0.00 -0.47 0.00 0.00 61.79 61.83 2kjc h SER 36 Cb 0.58 0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.85 2kjc h SER 36 CO -0.66 -0.24 -0.08 0.58 -0.87 0.00 0.00 176.83 175.55 2kjc h VAL 37 N 0.21 1.22 -1.64 0.95 2.07 -0.70 -3.45 116.25 114.91 2kjc h VAL 37 Ca 0.77 -0.97 0.06 0.00 0.82 0.00 0.00 66.70 67.38 2kjc h VAL 37 Cb 1.86 1.06 -0.26 0.00 -1.52 0.00 0.00 31.29 32.43 2kjc h VAL 37 CO -0.67 0.32 0.39 -0.44 0.02 0.00 0.00 177.57 177.20 2kjc s SER 38 N -6.75 -0.51 0.84 0.57 0.01 0.54 -5.15 113.70 103.25 2kjc s SER 38 Ca -0.08 0.94 -0.11 0.00 1.31 0.00 0.00 55.95 58.01 2kjc s SER 38 Cb 0.15 1.01 0.10 0.00 0.21 0.00 0.00 66.02 67.49 2kjc s SER 38 CO 0.78 -0.16 1.15 -1.61 0.41 0.00 0.00 173.24 173.81 2kjc s GLU 39 N 0.53 1.57 0.21 12.44 0.41 -1.21 -4.27 118.70 128.37 2kjc s GLU 39 Ca -0.00 1.53 -0.19 0.00 -0.41 0.00 0.00 54.97 55.89 2kjc s GLU 39 Cb -0.05 -1.79 0.03 0.00 -1.78 0.00 0.00 34.13 30.55 2kjc s GLU 39 CO -0.08 -2.22 0.58 0.00 -0.49 0.00 0.00 175.26 173.05 2kjc s ALA 40 N -2.53 -1.11 0.31 5.21 0.00 -1.26 -5.05 121.76 117.33 2kjc s ALA 40 Ca 0.68 -0.11 0.08 0.00 0.00 0.00 0.00 51.96 52.60 2kjc s ALA 40 Cb -0.23 0.86 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 2kjc s ALA 40 CO 0.54 -0.85 0.20 -1.54 0.00 0.00 0.00 175.76 174.11 2kjc s SER 41 N -2.86 5.07 0.26 0.00 1.04 -1.26 -4.30 113.70 111.65 2kjc s SER 41 Ca 0.08 -0.55 -0.04 0.00 0.48 0.00 0.00 55.95 55.93 2kjc s SER 41 Cb -0.02 -0.97 0.53 0.00 0.10 0.00 0.00 66.02 65.66 2kjc s SER 41 CO -0.03 -0.24 1.65 0.58 0.98 0.00 0.00 173.24 176.18 2kjc h VAL 42 N 1.46 0.36 0.02 5.02 2.07 -2.01 -1.74 116.25 121.42 2kjc h VAL 42 Ca -0.45 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.04 2kjc h VAL 42 Cb 1.25 0.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 2kjc h VAL 42 CO 0.60 0.03 -0.22 1.23 0.02 0.00 0.00 177.57 179.24 2kjc h GLY 43 N 0.17 -0.33 1.84 2.17 0.00 -1.97 -2.53 103.07 102.42 2kjc h GLY 43 Ca 0.46 0.26 -0.01 0.00 0.00 0.00 0.00 47.33 48.04 2kjc h GLY 43 CO -0.64 -0.19 0.06 0.84 0.00 0.00 0.00 176.54 176.61 2kjc h HIS 44 N -0.36 0.20 -0.03 5.60 6.17 -1.73 -2.05 115.15 122.96 2kjc h HIS 44 Ca 0.06 -0.00 -0.13 0.00 0.71 0.00 0.00 60.37 61.00 2kjc h HIS 44 Cb 0.43 -0.07 -0.02 0.00 2.52 0.00 0.00 27.41 30.28 2kjc h HIS 44 CO -0.25 0.17 -0.60 0.82 0.71 0.00 0.00 177.93 178.77 2kjc h ILE 45 N 0.21 1.41 0.00 6.26 2.04 -1.14 -2.95 117.51 123.34 2kjc h ILE 45 Ca 0.05 -2.02 0.00 0.00 1.00 0.00 0.00 64.86 63.90 2kjc h ILE 45 Cb 0.05 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 2kjc h ILE 45 CO -0.01 0.58 0.79 -1.28 0.00 0.00 0.00 178.15 178.24 2kjc h SER 46 N 0.07 0.00 0.43 1.72 0.87 -1.00 2.31 113.55 117.95 2kjc h SER 46 Ca -0.01 0.00 -0.30 0.00 -1.23 0.00 0.00 61.79 60.25 2kjc h SER 46 Cb 1.08 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.98 2kjc h SER 46 CO 0.08 0.00 -1.78 1.41 -0.53 0.00 0.00 176.83 176.01 2kjc n HIS 47 N -2.55 0.90 -0.08 2.24 8.25 -1.11 -3.93 115.22 118.94 2kjc n HIS 47 Ca -0.01 0.32 -0.09 0.00 -0.26 0.00 0.00 57.72 57.69 2kjc n HIS 47 Cb 0.81 -1.17 -0.03 0.00 1.12 0.00 0.00 29.99 30.72 2kjc n HIS 47 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2kjc n GLN 48 N -3.02 0.49 -2.68 -0.41 6.02 0.75 -4.97 117.38 113.55 2kjc n GLN 48 Ca -0.19 0.47 -0.04 0.00 -0.01 0.00 0.00 57.00 57.23 2kjc n GLN 48 Cb 1.06 -1.64 0.05 0.00 1.02 0.00 0.00 30.24 30.73 2kjc n GLN 48 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2kjc n LEU 49 N -4.55 -1.68 0.00 1.08 7.94 0.83 -4.99 117.00 115.63 2kjc n LEU 49 Ca -0.13 -1.64 0.00 0.00 -1.11 0.00 0.00 56.01 53.12 2kjc n LEU 49 Cb 0.39 0.59 0.00 0.00 0.53 0.00 0.00 43.42 44.93 2kjc n LEU 49 CO 0.13 1.47 0.00 -3.20 -1.11 0.00 0.00 177.39 174.68 2kjc n ASN 50 N 2.10 0.00 -0.35 1.96 5.15 -1.16 -4.85 115.26 118.11 2kjc n ASN 50 Ca 0.08 0.00 0.28 0.00 -0.60 0.00 0.00 54.58 54.34 2kjc n ASN 50 Cb 0.66 0.00 0.43 0.00 -0.53 0.00 0.00 39.78 40.34 2kjc n ASN 50 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kjc n LEU 51 N 0.00 0.00 -4.05 1.20 -0.00 -1.25 -0.27 117.00 112.63 2kjc n LEU 51 Ca 0.00 0.56 -0.43 0.00 -0.00 0.00 0.00 56.01 56.14 2kjc n LEU 51 Cb 0.00 -0.26 0.01 0.00 -0.00 0.00 0.00 43.42 43.17 2kjc n LEU 51 CO 0.00 -0.56 1.39 -0.24 -0.00 0.00 0.00 177.39 177.98 2kjc n SER 52 N -2.96 5.75 -0.23 1.45 2.88 -1.26 -4.90 113.62 114.35 2kjc n SER 52 Ca 0.23 -3.22 -0.06 0.00 -1.33 0.00 0.00 58.87 54.49 2kjc n SER 52 Cb 1.14 -1.38 -0.05 0.00 -0.75 0.00 0.00 64.21 63.16 2kjc n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2kjc n GLN 53 N 2.77 -0.24 0.27 -1.46 3.00 0.63 0.12 117.38 122.48 2kjc n GLN 53 Ca 0.31 1.12 0.02 0.00 -0.01 0.00 0.00 57.00 58.44 2kjc n GLN 53 Cb 0.36 -1.65 0.11 0.00 0.00 0.00 0.00 30.24 29.06 2kjc n GLN 53 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2kjc h SER 54 N 0.00 0.00 0.03 1.08 0.87 -1.90 0.81 113.55 114.43 2kjc h SER 54 Ca 0.09 0.00 -0.18 0.00 -1.23 0.00 0.00 61.79 60.47 2kjc h SER 54 Cb 0.22 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2kjc h SER 54 CO -0.51 0.00 -0.73 -1.13 -0.53 0.00 0.00 176.83 173.93 2kjc h ASN 55 N 0.00 0.59 0.19 6.23 -0.73 0.64 -3.23 115.58 119.27 2kjc h ASN 55 Ca 0.00 -0.79 -0.29 0.00 1.87 0.00 0.00 56.30 57.09 2kjc h ASN 55 Cb 1.63 -0.18 0.02 0.00 0.27 0.00 0.00 38.32 40.06 2kjc h ASN 55 CO 0.00 1.31 -1.35 0.58 -0.37 0.00 0.00 177.43 177.60 2kjc h VAL 56 N -0.06 1.23 -0.62 2.57 2.07 0.54 -3.05 116.25 118.93 2kjc h VAL 56 Ca -0.10 -2.57 0.13 0.00 0.82 0.00 0.00 66.70 64.98 2kjc h VAL 56 Cb 1.44 2.98 -0.11 0.00 -1.52 0.00 0.00 31.29 34.09 2kjc h VAL 56 CO 0.14 0.78 -0.03 -1.28 0.02 0.00 0.00 177.57 177.20 2kjc h SER 57 N -0.07 -0.34 1.02 0.57 0.87 -1.44 0.28 113.55 114.44 2kjc h SER 57 Ca -0.25 0.16 -0.09 0.00 -1.23 0.00 0.00 61.79 60.38 2kjc h SER 57 Cb 1.95 0.30 -0.01 0.00 -0.44 0.00 0.00 62.40 64.20 2kjc h SER 57 CO 0.19 -0.14 -0.43 0.45 -0.53 0.00 0.00 176.83 176.37 2kjc h HIS 58 N 0.09 0.00 0.51 2.24 3.86 -1.69 -3.20 115.15 116.96 2kjc h HIS 58 Ca 0.32 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.51 2kjc h HIS 58 Cb 0.52 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.99 2kjc h HIS 58 CO -0.40 0.43 -0.25 0.37 0.86 0.00 0.00 177.93 178.95 2kjc h GLN 59 N 0.00 -0.66 -0.12 2.45 5.75 -0.45 -3.18 115.11 118.90 2kjc h GLN 59 Ca -0.00 0.05 0.03 0.00 -0.15 0.00 0.00 58.65 58.58 2kjc h GLN 59 Cb 1.05 0.15 -0.00 0.00 1.07 0.00 0.00 27.48 29.75 2kjc h GLN 59 CO 0.06 -0.44 0.20 -0.07 -2.65 0.00 0.00 178.83 175.92 2kjc h LEU 60 N -1.09 0.00 -0.47 -2.39 3.38 -0.98 -0.44 115.31 113.31 2kjc h LEU 60 Ca -0.07 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 2kjc h LEU 60 Cb 0.53 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2kjc h LEU 60 CO 0.12 0.00 0.01 0.50 0.09 0.00 0.00 178.44 179.15 2kjc h LYS 61 N 0.00 0.83 0.62 1.13 3.64 -1.54 -2.40 116.57 118.84 2kjc h LYS 61 Ca 0.06 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.14 2kjc h LYS 61 Cb 0.45 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2kjc h LYS 61 CO -0.00 0.88 -0.30 1.25 -2.27 0.00 0.00 179.45 179.01 2kjc h LEU 62 N 0.69 -0.70 -1.06 5.20 5.85 -1.07 -3.05 115.31 121.17 2kjc h LEU 62 Ca 0.14 -0.02 0.31 0.00 0.84 0.00 0.00 57.88 59.14 2kjc h LEU 62 Cb 0.50 0.18 -0.14 0.00 0.37 0.00 0.00 40.66 41.57 2kjc h LEU 62 CO 0.02 -0.35 0.60 -0.07 -0.34 0.00 0.00 178.44 178.31 2kjc h LEU 63 N -1.10 0.53 -0.81 2.25 3.38 -1.52 0.47 115.31 118.50 2kjc h LEU 63 Ca -0.08 0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.11 2kjc h LEU 63 Cb 0.68 0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 2kjc h LEU 63 CO 0.14 -0.07 0.50 0.50 0.09 0.00 0.00 178.44 179.60 2kjc h LYS 64 N 0.37 0.90 -0.63 1.13 3.64 -1.32 -0.83 116.57 119.81 2kjc h LYS 64 Ca 0.71 -0.05 -0.07 0.00 -1.27 0.00 0.00 60.65 59.96 2kjc h LYS 64 Cb 1.63 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 33.23 2kjc h LYS 64 CO -0.54 0.59 0.10 1.03 -2.27 0.00 0.00 179.45 178.37 2kjc h SER 65 N 0.92 0.99 0.00 4.20 0.87 -0.00 -1.74 113.55 118.79 2kjc h SER 65 Ca 0.35 -0.23 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 2kjc h SER 65 Cb 0.15 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 2kjc h SER 65 CO -0.16 0.98 0.00 0.52 -0.53 0.00 0.00 176.83 177.64 2kjc n VAL 66 N -4.22 0.00 -1.23 2.23 0.31 -0.75 -4.76 118.33 109.91 2kjc n VAL 66 Ca 0.04 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.29 2kjc n VAL 66 Cb 0.28 -0.22 -0.03 0.00 -0.91 0.00 0.00 33.84 32.96 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 -0.31 0.00 -3.68 3.52 -0.00 -0.65 -4.98 115.22 109.12 2kjc n HIS 67 Ca 0.00 0.00 -0.37 0.00 0.46 0.00 0.00 57.72 57.81 2kjc n HIS 67 Cb 0.04 -2.08 -0.06 0.00 -0.12 0.00 0.00 29.99 27.77 2kjc n HIS 67 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2kjc s LEU 68 N -1.80 4.42 0.12 0.27 1.43 -0.39 -4.97 118.68 117.77 2kjc s LEU 68 Ca 0.00 0.71 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 2kjc s LEU 68 Cb 0.00 -2.33 0.00 0.00 0.03 0.00 0.00 46.19 43.89 2kjc s LEU 68 CO 0.00 0.36 0.00 1.33 0.23 0.00 0.00 176.35 178.27 2kjc n VAL 69 N 1.97 0.00 -3.52 -1.59 0.24 -1.26 -3.28 118.33 110.89 2kjc n VAL 69 Ca -0.17 0.04 -0.11 0.00 -2.04 0.00 0.00 64.34 62.06 2kjc n VAL 69 Cb 0.54 -0.20 -0.04 0.00 -1.47 0.00 0.00 33.84 32.66 2kjc n VAL 69 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 2kjc s LYS 70 N -1.84 0.86 0.13 7.34 2.20 -1.26 -4.65 119.74 122.52 2kjc s LYS 70 Ca 0.00 -0.07 0.03 0.00 -0.36 0.00 0.00 55.97 55.57 2kjc s LYS 70 Cb 0.00 0.40 -0.04 0.00 -1.51 0.00 0.00 37.83 36.68 2kjc s LYS 70 CO 0.00 -0.33 0.17 0.00 -0.36 0.00 0.00 175.35 174.83 2kjc s ALA 71 N -2.20 3.73 0.03 3.13 0.00 -1.26 -4.09 121.76 121.10 2kjc s ALA 71 Ca -0.01 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 50.87 2kjc s ALA 71 Cb -0.01 -1.55 -0.03 0.00 0.00 0.00 0.00 23.12 21.54 2kjc s ALA 71 CO -0.02 0.61 -0.02 0.15 0.00 0.00 0.00 175.76 176.48 2kjc s LYS 72 N -2.90 0.43 -0.25 0.00 1.02 -1.15 -5.01 119.74 111.90 2kjc s LYS 72 Ca 0.32 -0.83 -0.24 0.00 0.02 0.00 0.00 55.97 55.23 2kjc s LYS 72 Cb -0.11 0.15 -0.01 0.00 -0.52 0.00 0.00 37.83 37.35 2kjc s LYS 72 CO 0.25 -0.08 0.82 0.50 -0.92 0.00 0.00 175.35 175.92 2kjc s ARG 73 N -2.40 4.17 -0.23 1.68 3.52 -1.26 -3.68 118.95 120.76 2kjc s ARG 73 Ca -0.07 0.91 -0.05 0.00 -0.13 0.00 0.00 55.73 56.38 2kjc s ARG 73 Cb -0.03 -3.65 0.11 0.00 -1.56 0.00 0.00 34.95 29.82 2kjc s ARG 73 CO -0.04 -0.52 0.43 -1.14 -0.81 0.00 0.00 175.30 173.21 2kjc s GLN 74 N 2.83 0.36 -1.21 5.12 0.74 -0.45 -4.96 119.66 122.09 2kjc s GLN 74 Ca 0.34 0.88 -0.15 0.00 0.05 0.00 0.00 55.36 56.49 2kjc s GLN 74 Cb -0.15 0.10 -0.01 0.00 1.10 0.00 0.00 33.01 34.05 2kjc s GLN 74 CO 0.08 -0.41 0.70 0.41 -0.55 0.00 0.00 175.29 175.52 2kjc n GLY 75 N 5.39 -0.76 2.60 2.59 0.00 -1.26 0.02 105.19 113.77 2kjc n GLY 75 Ca -0.06 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.32 2kjc n GLY 75 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kjc n GLN 76 N -4.26 -1.73 -4.75 1.61 6.02 -1.26 -4.86 117.38 108.15 2kjc n GLN 76 Ca -0.16 0.23 -0.27 0.00 -0.01 0.00 0.00 57.00 56.79 2kjc n GLN 76 Cb 0.62 -3.69 -0.14 0.00 1.02 0.00 0.00 30.24 28.04 2kjc n GLN 76 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2kjc s SER 77 N -1.06 2.63 -0.17 1.08 0.01 0.10 -5.13 113.70 111.17 2kjc s SER 77 Ca 0.00 -0.52 -0.04 0.00 1.31 0.00 0.00 55.95 56.70 2kjc s SER 77 Cb 0.00 -0.23 -0.02 0.00 0.21 0.00 0.00 66.02 65.97 2kjc s SER 77 CO 0.00 0.19 -0.04 0.00 0.41 0.00 0.00 173.24 173.81 2kjc s MET 78 N -1.11 3.62 0.15 12.44 0.23 -1.26 -1.34 119.30 132.03 2kjc s MET 78 Ca 0.08 -0.54 0.03 0.00 -1.03 0.00 0.00 55.69 54.23 2kjc s MET 78 Cb -0.09 -2.93 -0.05 0.00 -1.53 0.00 0.00 34.83 30.24 2kjc s MET 78 CO 0.02 0.17 -0.05 0.96 -2.03 0.00 0.00 175.02 174.08 2kjc s ILE 79 N 0.55 0.92 0.28 3.16 -4.36 -1.24 -4.72 121.20 115.78 2kjc s ILE 79 Ca -0.03 -2.01 0.02 0.00 -0.26 0.00 0.00 60.65 58.37 2kjc s ILE 79 Cb -0.14 -1.95 -0.04 0.00 1.25 0.00 0.00 42.46 41.58 2kjc s ILE 79 CO 0.03 -0.65 0.14 -0.72 0.24 0.00 0.00 174.94 173.98 2kjc s TYR 80 N -3.49 1.52 0.00 1.37 -0.85 -1.26 -2.93 117.35 111.71 2kjc s TYR 80 Ca 0.19 -1.33 0.00 0.00 -0.52 0.00 0.00 57.07 55.41 2kjc s TYR 80 Cb 0.04 -0.81 0.00 0.00 0.38 0.00 0.00 41.96 41.57 2kjc s TYR 80 CO 0.01 -0.51 0.00 0.45 -1.52 0.00 0.00 175.55 173.99 2kjc n SER 81 N -0.73 0.00 -4.10 -0.18 2.88 -1.26 -4.30 113.62 105.93 2kjc n SER 81 Ca 0.01 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.31 2kjc n SER 81 Cb 0.65 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.26 2kjc n SER 81 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2kjc n LEU 82 N 0.00 0.00 0.00 2.46 4.77 -1.26 -4.24 117.00 118.73 2kjc n LEU 82 Ca 0.00 -1.69 0.00 0.00 -0.03 0.00 0.00 56.01 54.29 2kjc n LEU 82 Cb 0.00 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 2kjc n LEU 82 CO 0.00 -1.14 0.00 -0.67 -1.33 0.00 0.00 177.39 174.25 2kjc n ASP 83 N -3.31 0.00 -0.00 -1.43 2.03 -1.26 -4.89 116.55 107.69 2kjc n ASP 83 Ca 0.15 -0.07 0.02 0.00 0.52 0.00 0.00 54.79 55.41 2kjc n ASP 83 Cb 0.54 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.91 2kjc n ASP 83 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2kjc n ASP 84 N 0.00 4.07 -3.44 1.67 5.75 -1.26 -5.06 116.55 118.28 2kjc n ASP 84 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 54.79 54.58 2kjc n ASP 84 Cb 0.02 1.18 0.01 0.00 -1.03 0.00 0.00 41.12 41.30 2kjc n ASP 84 CO 0.00 0.00 0.00 -0.38 -0.11 0.00 0.00 177.20 176.71 2kjc n ILE 85 N -1.64 -6.02 0.11 2.12 5.41 -1.26 -4.86 119.36 113.21 2kjc n ILE 85 Ca -0.01 0.08 0.00 0.00 1.00 0.00 0.00 62.75 63.82 2kjc n ILE 85 Cb 0.11 -4.54 0.00 0.00 -0.71 0.00 0.00 39.64 34.49 2kjc n ILE 85 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 2kjc n HIS 86 N -1.56 -3.43 0.09 1.39 8.25 -1.26 -4.90 115.22 113.80 2kjc n HIS 86 Ca -0.14 0.73 0.02 0.00 -0.26 0.00 0.00 57.72 58.07 2kjc n HIS 86 Cb 0.62 2.07 0.11 0.00 1.12 0.00 0.00 29.99 33.90 2kjc n HIS 86 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 2kjc n VAL 87 N -2.92 0.44 0.45 1.59 0.24 -1.26 -1.30 118.33 115.58 2kjc n VAL 87 Ca 0.00 0.64 -0.18 0.00 -2.04 0.00 0.00 64.34 62.76 2kjc n VAL 87 Cb 0.00 -1.64 -0.09 0.00 -1.47 0.00 0.00 33.84 30.64 2kjc n VAL 87 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2kjc h ALA 88 N 0.62 -1.17 -0.00 2.33 0.00 -1.99 -2.99 119.26 116.05 2kjc h ALA 88 Ca 0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 2kjc h ALA 88 Cb 0.89 0.45 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2kjc h ALA 88 CO 0.00 -1.09 -0.11 1.79 0.00 0.00 0.00 179.25 179.84 2kjc h THR 89 N -1.31 1.08 -0.65 0.00 1.35 -1.60 -2.70 112.91 109.09 2kjc h THR 89 Ca -0.12 -0.40 0.14 0.00 -0.55 0.00 0.00 66.41 65.48 2kjc h THR 89 Cb 0.90 1.21 -0.10 0.00 -1.73 0.00 0.00 68.15 68.42 2kjc h THR 89 CO 0.20 0.11 0.06 -0.03 -0.25 0.00 0.00 175.52 175.61 2kjc h MET 90 N 0.01 0.17 -0.63 4.72 -1.53 -1.50 0.07 114.93 116.23 2kjc h MET 90 Ca 0.00 -0.01 -0.05 0.00 -3.44 0.00 0.00 59.70 56.20 2kjc h MET 90 Cb 0.20 -0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 31.19 2kjc h MET 90 CO 0.01 0.11 0.20 -0.07 0.14 0.00 0.00 176.91 177.30 2kjc h LEU 91 N 0.17 0.91 0.00 3.39 3.38 -1.43 -3.04 115.31 118.70 2kjc h LEU 91 Ca 0.35 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2kjc h LEU 91 Cb 0.57 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2kjc h LEU 91 CO -0.51 0.88 0.00 1.17 0.09 0.00 0.00 178.44 180.07 2kjc n LYS 92 N -4.37 0.00 -0.30 1.13 4.81 -0.11 -2.67 118.16 116.65 2kjc n LYS 92 Ca 0.04 0.47 0.34 0.00 -0.87 0.00 0.00 58.31 58.28 2kjc n LYS 92 Cb 0.21 -1.45 0.60 0.00 0.02 0.00 0.00 35.03 34.41 2kjc n LYS 92 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 2kjc h GLN 93 N 0.00 0.00 0.28 1.64 4.20 -1.34 0.28 115.11 120.17 2kjc h GLN 93 Ca 0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2kjc h GLN 93 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 2kjc h GLN 93 CO 0.00 0.00 -0.13 0.00 -0.67 0.00 0.00 178.83 178.03 2kjc h ALA 94 N 0.84 -0.37 0.00 3.87 0.00 -1.38 -2.54 119.26 119.68 2kjc h ALA 94 Ca 0.56 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2kjc h ALA 94 Cb 2.83 0.14 0.00 0.00 0.00 0.00 0.00 17.79 20.76 2kjc h ALA 94 CO -0.01 -0.63 0.00 0.82 0.00 0.00 0.00 179.25 179.43 2kjc h ILE 95 N -0.52 0.00 -0.75 0.00 1.08 -0.41 -2.84 117.51 114.08 2kjc h ILE 95 Ca -0.04 -0.33 -0.05 0.00 -0.39 0.00 0.00 64.86 64.06 2kjc h ILE 95 Cb 0.39 1.18 -0.03 0.00 -3.07 0.00 0.00 36.82 35.29 2kjc h ILE 95 CO 0.06 0.00 0.28 -0.74 -0.69 0.00 0.00 178.15 177.06 2kjc h HIS 96 N 0.00 1.15 0.33 1.37 2.76 -1.01 -1.96 115.15 117.79 2kjc h HIS 96 Ca 0.00 -0.10 -0.02 0.00 -2.20 0.00 0.00 60.37 58.06 2kjc h HIS 96 Cb 0.38 -0.34 0.00 0.00 1.55 0.00 0.00 27.41 29.00 2kjc h HIS 96 CO 0.00 0.89 -0.16 1.25 -1.30 0.00 0.00 177.93 178.61 2kjc h HIS 97 N 1.08 -0.41 -1.33 5.26 -0.00 -1.45 -3.09 115.15 115.22 2kjc h HIS 97 Ca 0.25 -0.01 0.39 0.00 -0.00 0.00 0.00 60.37 60.99 2kjc h HIS 97 Cb 0.24 0.13 -0.05 0.00 -0.00 0.00 0.00 27.41 27.73 2kjc h HIS 97 CO 0.02 -0.25 1.08 0.00 -0.00 0.00 0.00 177.93 178.77 2kjc h ALA 98 N -1.43 3.23 -1.60 5.26 0.00 -1.60 -3.39 119.26 119.73 2kjc h ALA 98 Ca -0.04 -0.05 0.10 0.00 0.00 0.00 0.00 54.91 54.91 2kjc h ALA 98 Cb 0.34 0.10 -0.26 0.00 0.00 0.00 0.00 17.79 17.96 2kjc h ALA 98 CO 0.07 -1.76 0.34 0.54 0.00 0.00 0.00 179.25 178.44 2kjc s ASN 99 N -4.38 -0.56 0.42 0.00 2.20 -0.74 -5.12 114.94 106.75 2kjc s ASN 99 Ca -0.04 0.91 -0.21 0.00 -0.94 0.00 0.00 52.86 52.58 2kjc s ASN 99 Cb 0.21 1.21 -0.11 0.00 -2.00 0.00 0.00 41.25 40.56 2kjc s ASN 99 CO 0.73 -0.14 0.93 -1.00 -2.94 0.00 0.00 177.10 174.68 2kjc s HIS 100 N 1.29 3.33 -0.02 1.54 3.76 -1.17 -3.92 115.29 120.09 2kjc s HIS 100 Ca -0.08 1.58 -0.22 0.00 -0.15 0.00 0.00 55.06 56.19 2kjc s HIS 100 Cb -0.04 -2.83 -0.23 0.00 1.11 0.00 0.00 32.58 30.60 2kjc s HIS 100 CO -0.15 -0.08 1.08 -1.00 -0.85 0.00 0.00 174.74 173.74 2kjc h PRO 101 N 1.98 0.29 0.00 8.40 0.13 -1.91 -3.40 132.00 137.48 2kjc h PRO 101 Ca -0.49 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.34 2kjc h PRO 101 Cb 1.18 0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2kjc h PRO 101 CO 0.61 0.99 0.00 1.63 -0.23 0.00 0.00 178.00 181.01 2kjc n LYS 102 N -4.38 0.00 0.00 0.86 5.02 -1.26 -5.27 118.16 113.14 2kjc n LYS 102 Ca -0.10 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.19 2kjc n LYS 102 Cb 0.57 -0.49 0.00 0.00 -0.02 0.00 0.00 35.03 35.10 2kjc n LYS 102 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27