#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kjc n THR 10 N 0.00 0.25 0.02 -0.44 5.66 -1.26 -3.83 114.28 114.68 2kjc n THR 10 Ca 0.00 -0.17 -0.16 0.00 -3.05 0.00 0.00 64.05 60.66 2kjc n THR 10 Cb 0.00 -0.12 -0.06 0.00 -1.55 0.00 0.00 70.33 68.60 2kjc n THR 10 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 175.07 171.24 2kjc h ASP 11 N 0.00 0.79 0.10 1.09 1.82 -2.05 -3.18 116.42 114.99 2kjc h ASP 11 Ca 0.00 -0.57 -0.00 0.00 -0.39 0.00 0.00 57.03 56.07 2kjc h ASP 11 Cb 0.65 -0.24 -0.01 0.00 0.68 0.00 0.00 39.33 40.42 2kjc h ASP 11 CO 0.00 1.36 -0.15 0.74 -1.61 0.00 0.00 179.24 179.59 2kjc h THR 12 N 0.40 0.00 -1.20 2.25 2.02 -1.99 0.52 112.91 114.91 2kjc h THR 12 Ca -0.08 0.00 0.34 0.00 0.77 0.00 0.00 66.41 67.45 2kjc h THR 12 Cb 1.51 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.83 2kjc h THR 12 CO 0.17 0.00 0.81 -0.07 0.37 0.00 0.00 175.52 176.80 2kjc h LEU 13 N -0.26 0.24 -0.43 2.58 4.07 -1.75 1.54 115.31 121.30 2kjc h LEU 13 Ca -0.01 0.06 -0.18 0.00 0.08 0.00 0.00 57.88 57.83 2kjc h LEU 13 Cb 0.24 0.03 -0.00 0.00 1.08 0.00 0.00 40.66 42.01 2kjc h LEU 13 CO -0.04 -0.00 -0.69 -0.08 -1.08 0.00 0.00 178.44 176.55 2kjc h GLU 14 N 0.18 0.46 0.04 1.13 4.22 -1.30 -2.84 114.58 116.48 2kjc h GLU 14 Ca 0.65 -0.35 -0.00 0.00 0.08 0.00 0.00 59.36 59.74 2kjc h GLU 14 Cb 2.10 0.07 0.00 0.00 0.50 0.00 0.00 28.75 31.42 2kjc h GLU 14 CO -0.22 0.98 -0.02 -0.09 -2.18 0.00 0.00 179.01 177.48 2kjc h ARG 15 N 0.32 -0.05 -1.00 1.92 2.43 0.69 -2.96 114.38 115.74 2kjc h ARG 15 Ca -0.02 0.00 0.20 0.00 -0.81 0.00 0.00 59.98 59.35 2kjc h ARG 15 Cb 1.25 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 30.71 2kjc h ARG 15 CO 0.12 0.60 0.62 0.28 -1.51 0.00 0.00 179.97 180.08 2kjc h VAL 16 N -0.83 0.67 -0.33 0.20 2.07 0.08 0.20 116.25 118.31 2kjc h VAL 16 Ca -0.01 -0.23 -0.11 0.00 0.82 0.00 0.00 66.70 67.17 2kjc h VAL 16 Cb 0.68 -0.05 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 2kjc h VAL 16 CO 0.01 0.12 -0.27 0.74 0.02 0.00 0.00 177.57 178.19 2kjc h THR 17 N 0.67 1.28 -0.00 2.57 2.02 -1.56 -2.59 112.91 115.29 2kjc h THR 17 Ca 0.57 -1.37 0.00 0.00 0.77 0.00 0.00 66.41 66.38 2kjc h THR 17 Cb 1.02 1.31 -0.00 0.00 -1.74 0.00 0.00 68.15 68.74 2kjc h THR 17 CO -0.35 0.45 0.00 -0.08 0.37 0.00 0.00 175.52 175.91 2kjc h GLU 18 N 0.58 0.00 -0.08 6.66 4.81 -0.43 -0.96 114.58 125.16 2kjc h GLU 18 Ca 0.08 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.18 2kjc h GLU 18 Cb 0.76 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 2kjc h GLU 18 CO 0.06 0.00 -0.51 0.82 -0.73 0.00 0.00 179.01 178.65 2kjc h ILE 19 N 0.00 1.35 0.08 2.32 1.08 -1.22 -2.60 117.51 118.53 2kjc h ILE 19 Ca 0.00 -1.77 -0.00 0.00 -0.39 0.00 0.00 64.86 62.70 2kjc h ILE 19 Cb 0.00 1.86 0.00 0.00 -3.07 0.00 0.00 36.82 35.61 2kjc h ILE 19 CO -0.00 0.52 -0.04 -0.26 -0.69 0.00 0.00 178.15 177.68 2kjc h PHE 20 N 0.18 -0.10 -0.59 1.37 -1.00 -1.28 -3.30 116.94 112.20 2kjc h PHE 20 Ca 0.01 -0.00 0.17 0.00 2.81 0.00 0.00 57.97 60.96 2kjc h PHE 20 Cb 0.97 0.03 -0.02 0.00 3.61 0.00 0.00 35.95 40.54 2kjc h PHE 20 CO 0.02 -0.06 0.60 -0.22 -1.61 0.00 0.00 178.31 177.04 2kjc h LYS 21 N -0.64 0.00 0.00 1.51 3.64 -1.64 1.04 116.57 120.48 2kjc h LYS 21 Ca -0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2kjc h LYS 21 Cb 0.09 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 2kjc h LYS 21 CO 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 179.45 177.20 2kjc n ALA 22 N -2.38 2.38 -1.09 5.00 0.00 -0.98 -2.46 120.51 120.98 2kjc n ALA 22 Ca 0.12 -0.11 0.02 0.00 0.00 0.00 0.00 53.44 53.48 2kjc n ALA 22 Cb 0.83 -1.27 0.03 0.00 0.00 0.00 0.00 19.45 19.03 2kjc n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kjc n LEU 23 N -0.84 0.99 0.17 0.00 4.77 0.36 -4.88 117.00 117.56 2kjc n LEU 23 Ca 0.13 -1.45 -0.09 0.00 -0.03 0.00 0.00 56.01 54.56 2kjc n LEU 23 Cb 0.06 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.00 2kjc n LEU 23 CO 0.10 0.35 0.51 1.23 -1.33 0.00 0.00 177.39 178.25 2kjc h GLY 24 N 0.00 -0.93 -6.26 -0.72 0.00 -1.39 -3.42 103.07 90.35 2kjc h GLY 24 Ca 0.00 0.41 -0.73 0.00 0.00 0.00 0.00 47.33 47.00 2kjc h GLY 24 CO 0.00 -0.31 0.87 1.22 0.00 0.00 0.00 176.54 178.32 2kjc n ASP 25 N -3.88 2.34 0.23 0.19 8.00 -1.26 -4.81 116.55 117.35 2kjc n ASP 25 Ca -0.07 1.08 0.10 0.00 0.71 0.00 0.00 54.79 56.61 2kjc n ASP 25 Cb 0.24 -1.15 0.54 0.00 -0.02 0.00 0.00 41.12 40.73 2kjc n ASP 25 CO 0.00 0.00 0.00 0.10 -0.39 0.00 0.00 177.20 176.91 2kjc h TYR 26 N 7.03 0.00 -0.84 1.24 -0.00 -2.01 -2.96 116.97 119.43 2kjc h TYR 26 Ca -0.47 0.00 0.07 0.00 -0.00 0.00 0.00 58.73 58.33 2kjc h TYR 26 Cb 1.32 0.00 -0.05 0.00 -0.00 0.00 0.00 36.73 37.99 2kjc h TYR 26 CO 0.76 0.22 0.55 -0.97 -0.00 0.00 0.00 178.16 178.72 2kjc h ASN 27 N 0.00 0.80 1.29 0.10 -1.24 -1.95 -0.40 115.58 114.18 2kjc h ASN 27 Ca -0.00 0.01 -0.03 0.00 0.71 0.00 0.00 56.30 56.98 2kjc h ASN 27 Cb 0.60 -0.16 -0.00 0.00 0.73 0.00 0.00 38.32 39.48 2kjc h ASN 27 CO 0.03 0.51 -0.16 0.03 -1.29 0.00 0.00 177.43 176.55 2kjc h ARG 28 N 0.90 0.00 0.04 6.67 3.08 -1.90 -3.13 114.38 120.04 2kjc h ARG 28 Ca 0.36 0.00 -0.24 0.00 0.07 0.00 0.00 59.98 60.17 2kjc h ARG 28 Cb 0.26 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.31 2kjc h ARG 28 CO -0.13 0.16 -1.03 0.82 -1.07 0.00 0.00 179.97 178.72 2kjc h ILE 29 N 0.00 1.41 -0.07 2.04 2.04 -1.17 -2.63 117.51 119.13 2kjc h ILE 29 Ca -0.00 -2.57 -0.12 0.00 1.00 0.00 0.00 64.86 63.16 2kjc h ILE 29 Cb 0.85 2.55 -0.01 0.00 -0.74 0.00 0.00 36.82 39.46 2kjc h ILE 29 CO 0.02 0.76 -0.51 0.03 0.00 0.00 0.00 178.15 178.45 2kjc h ARG 30 N 0.20 0.19 0.14 2.37 3.08 -1.41 -2.92 114.38 116.04 2kjc h ARG 30 Ca -0.10 -0.11 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 2kjc h ARG 30 Cb 1.68 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.74 2kjc h ARG 30 CO 0.18 0.66 -0.07 0.82 -1.07 0.00 0.00 179.97 180.49 2kjc h ILE 31 N 0.15 0.97 -1.01 2.04 2.04 -1.57 -3.09 117.51 117.04 2kjc h ILE 31 Ca 0.00 -1.09 0.26 0.00 1.00 0.00 0.00 64.86 65.04 2kjc h ILE 31 Cb 0.96 1.59 -0.07 0.00 -0.74 0.00 0.00 36.82 38.55 2kjc h ILE 31 CO 0.08 0.23 0.68 0.24 0.00 0.00 0.00 178.15 179.38 2kjc h MET 32 N -0.77 0.27 -0.61 2.37 2.86 -1.49 0.30 114.93 117.86 2kjc h MET 32 Ca -0.02 -0.02 -0.09 0.00 -2.06 0.00 0.00 59.70 57.51 2kjc h MET 32 Cb 0.53 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 2kjc h MET 32 CO 0.03 0.18 0.01 1.49 1.06 0.00 0.00 176.91 179.68 2kjc h GLU 33 N 0.27 1.07 0.65 1.72 4.81 -1.48 -2.40 114.58 119.22 2kjc h GLU 33 Ca 0.54 -0.33 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 2kjc h GLU 33 Cb 1.59 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 30.87 2kjc h GLU 33 CO -0.18 1.04 -0.31 1.25 -0.73 0.00 0.00 179.01 180.08 2kjc h LEU 34 N 0.97 -0.74 -2.16 1.64 7.12 -0.33 -2.21 115.31 119.61 2kjc h LEU 34 Ca 0.18 -0.00 0.04 0.00 0.13 0.00 0.00 57.88 58.22 2kjc h LEU 34 Cb 0.55 0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.86 2kjc h LEU 34 CO 0.03 -0.46 0.29 -0.07 -0.13 0.00 0.00 178.44 178.10 2kjc h LEU 35 N -0.97 0.00 -1.36 2.25 4.07 -1.43 0.40 115.31 118.27 2kjc h LEU 35 Ca -0.09 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.83 2kjc h LEU 35 Cb 0.70 0.00 -0.02 0.00 1.08 0.00 0.00 40.66 42.42 2kjc h LEU 35 CO 0.15 0.00 0.02 0.28 -1.08 0.00 0.00 178.44 177.80 2kjc h SER 36 N 0.00 0.40 0.27 -0.43 0.02 -0.86 -2.45 113.55 110.51 2kjc h SER 36 Ca 0.06 -0.06 -0.30 0.00 -0.84 0.00 0.00 61.79 60.64 2kjc h SER 36 Cb 0.64 -0.10 0.03 0.00 0.14 0.00 0.00 62.40 63.11 2kjc h SER 36 CO -0.00 0.46 -1.31 0.58 -1.14 0.00 0.00 176.83 175.42 2kjc h VAL 37 N 0.43 1.33 -1.53 2.27 2.07 -0.19 -3.47 116.25 117.16 2kjc h VAL 37 Ca 0.10 -2.64 0.11 0.00 0.82 0.00 0.00 66.70 65.09 2kjc h VAL 37 Cb 0.26 2.83 -0.27 0.00 -1.52 0.00 0.00 31.29 32.59 2kjc h VAL 37 CO 0.00 0.79 0.40 -0.94 0.02 0.00 0.00 177.57 177.85 2kjc s SER 38 N -7.42 -0.49 1.04 0.57 1.04 -0.93 -5.16 113.70 102.36 2kjc s SER 38 Ca -0.08 0.80 -0.19 0.00 0.48 0.00 0.00 55.95 56.96 2kjc s SER 38 Cb 0.06 1.17 0.04 0.00 0.10 0.00 0.00 66.02 67.39 2kjc s SER 38 CO 0.93 -0.13 -0.31 -1.84 0.98 0.00 0.00 173.24 172.87 2kjc n GLU 39 N 3.58 -1.34 -3.61 4.02 0.00 -1.22 -4.11 120.64 117.96 2kjc n GLU 39 Ca -0.18 -0.38 -0.16 0.00 0.00 0.00 0.00 57.16 56.44 2kjc n GLU 39 Cb 0.57 -1.45 -0.07 0.00 0.00 0.00 0.00 31.44 30.50 2kjc n GLU 39 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kjc s ALA 40 N -2.13 -1.54 0.53 -1.84 0.00 -1.25 -4.93 121.76 110.60 2kjc s ALA 40 Ca 0.44 1.34 -0.00 0.00 0.00 0.00 0.00 51.96 53.74 2kjc s ALA 40 Cb -0.04 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.70 2kjc s ALA 40 CO 0.56 -0.33 0.02 0.45 0.00 0.00 0.00 175.76 176.46 2kjc n SER 41 N 1.66 0.02 0.21 0.00 2.88 -1.26 -4.01 113.62 113.12 2kjc n SER 41 Ca -0.17 -1.02 -0.09 0.00 -1.33 0.00 0.00 58.87 56.25 2kjc n SER 41 Cb 0.56 -0.02 -0.04 0.00 -0.75 0.00 0.00 64.21 63.96 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 -0.53 0.00 -0.81 2.46 2.07 -1.98 -0.91 116.25 116.55 2kjc h VAL 42 Ca -0.01 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.13 2kjc h VAL 42 Cb 0.03 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.75 2kjc h VAL 42 CO 0.01 0.00 0.53 1.23 0.02 0.00 0.00 177.57 179.36 2kjc h GLY 43 N -1.01 1.14 0.90 2.17 0.00 -1.99 -2.43 103.07 101.85 2kjc h GLY 43 Ca -0.06 -0.39 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 2kjc h GLY 43 CO 0.10 0.32 -0.41 0.45 0.00 0.00 0.00 176.54 177.00 2kjc h HIS 44 N 0.97 0.74 0.00 5.60 -0.00 -1.95 -3.20 115.15 117.31 2kjc h HIS 44 Ca 0.33 -0.28 0.00 0.00 -0.00 0.00 0.00 60.37 60.42 2kjc h HIS 44 Cb 0.08 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.36 2kjc h HIS 44 CO -0.00 1.04 0.00 0.97 -0.00 0.00 0.00 177.93 179.93 2kjc h ILE 45 N 0.23 0.00 0.00 2.45 2.10 -0.99 -2.78 117.51 118.52 2kjc h ILE 45 Ca -0.00 -0.55 0.00 0.00 1.08 0.00 0.00 64.86 65.38 2kjc h ILE 45 Cb 1.02 1.50 0.00 0.00 -1.09 0.00 0.00 36.82 38.25 2kjc h ILE 45 CO 0.09 0.00 0.00 0.28 -1.08 0.00 0.00 178.15 177.44 2kjc h SER 46 N 0.00 0.00 1.01 2.19 0.02 -1.43 0.18 113.55 115.53 2kjc h SER 46 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2kjc h SER 46 Cb 0.61 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.15 2kjc h SER 46 CO 0.00 0.00 -0.11 1.41 -1.14 0.00 0.00 176.83 176.99 2kjc n HIS 47 N -2.34 0.22 -0.02 3.45 8.25 -1.05 -3.56 115.22 120.17 2kjc n HIS 47 Ca -0.00 0.06 -0.16 0.00 -0.26 0.00 0.00 57.72 57.36 2kjc n HIS 47 Cb 0.10 -0.56 -0.11 0.00 1.12 0.00 0.00 29.99 30.55 2kjc n HIS 47 CO 0.00 0.00 0.00 0.37 0.64 0.00 0.00 176.34 177.35 2kjc h GLN 48 N 0.00 0.31 0.00 -0.41 5.75 -0.82 -3.46 115.11 116.48 2kjc h GLN 48 Ca 0.00 -0.30 0.00 0.00 -0.15 0.00 0.00 58.65 58.20 2kjc h GLN 48 Cb 0.56 0.08 0.00 0.00 1.07 0.00 0.00 27.48 29.19 2kjc h GLN 48 CO 0.00 0.98 0.00 -0.11 -2.65 0.00 0.00 178.83 177.05 2kjc n LEU 49 N -4.38 0.00 -4.71 -2.39 7.94 -1.24 -5.12 117.00 107.10 2kjc n LEU 49 Ca -0.09 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.40 2kjc n LEU 49 Cb 0.56 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.47 2kjc n LEU 49 CO 0.43 0.00 0.51 0.20 -1.11 0.00 0.00 177.39 177.42 2kjc s ASN 50 N -0.48 7.10 -0.08 1.96 -0.87 -1.23 -4.98 114.94 116.35 2kjc s ASN 50 Ca 0.00 1.33 -0.04 0.00 -1.57 0.00 0.00 52.86 52.57 2kjc s ASN 50 Cb 0.00 -2.46 -0.01 0.00 -0.02 0.00 0.00 41.25 38.75 2kjc s ASN 50 CO 0.00 -0.20 -0.09 -0.07 -2.57 0.00 0.00 177.10 174.18 2kjc h LEU 51 N 6.98 0.00 -9.88 0.60 4.07 -1.95 -3.38 115.31 111.76 2kjc h LEU 51 Ca -0.39 0.00 -0.50 0.00 0.08 0.00 0.00 57.88 57.06 2kjc h LEU 51 Cb 1.19 0.00 0.03 0.00 1.08 0.00 0.00 40.66 42.97 2kjc h LEU 51 CO 0.76 0.43 0.50 -0.44 -1.08 0.00 0.00 178.44 178.61 2kjc s SER 52 N -4.81 6.93 -0.14 -0.43 0.01 -1.26 -4.95 113.70 109.05 2kjc s SER 52 Ca -0.07 2.32 -0.24 0.00 1.31 0.00 0.00 55.95 59.26 2kjc s SER 52 Cb 0.01 -2.62 -0.21 0.00 0.21 0.00 0.00 66.02 63.40 2kjc s SER 52 CO 0.10 -0.39 0.60 1.56 0.41 0.00 0.00 173.24 175.53 2kjc h GLN 53 N 3.25 0.00 -1.16 12.44 1.08 -1.95 -3.31 115.11 125.46 2kjc h GLN 53 Ca -0.48 0.00 0.34 0.00 -1.45 0.00 0.00 58.65 57.06 2kjc h GLN 53 Cb 1.22 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.60 2kjc h GLN 53 CO 0.65 0.84 1.02 1.03 -0.95 0.00 0.00 178.83 181.42 2kjc h SER 54 N -1.00 0.00 -0.31 1.46 0.87 -1.99 0.72 113.55 113.30 2kjc h SER 54 Ca -0.03 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.47 2kjc h SER 54 Cb 0.88 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.83 2kjc h SER 54 CO -0.02 0.00 -0.07 0.78 -0.53 0.00 0.00 176.83 177.00 2kjc h ASN 55 N 0.00 0.59 0.22 6.23 4.21 -1.98 -2.64 115.58 122.22 2kjc h ASN 55 Ca 0.55 -0.36 -0.16 0.00 1.21 0.00 0.00 56.30 57.54 2kjc h ASN 55 Cb 2.58 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 39.61 2kjc h ASN 55 CO -0.01 0.81 -0.64 0.58 -1.29 0.00 0.00 177.43 176.89 2kjc h VAL 56 N 0.36 1.36 -0.95 2.81 2.07 0.28 -2.82 116.25 119.36 2kjc h VAL 56 Ca 0.08 -1.99 0.06 0.00 0.82 0.00 0.00 66.70 65.67 2kjc h VAL 56 Cb 0.55 1.98 -0.06 0.00 -1.52 0.00 0.00 31.29 32.23 2kjc h VAL 56 CO 0.03 0.60 0.60 0.77 0.02 0.00 0.00 177.57 179.59 2kjc h SER 57 N 0.29 0.96 0.18 0.57 4.64 -1.21 -1.25 113.55 117.73 2kjc h SER 57 Ca -0.01 0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2kjc h SER 57 Cb 1.18 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2kjc h SER 57 CO 0.11 0.62 -0.09 0.45 -0.87 0.00 0.00 176.83 177.05 2kjc h HIS 58 N 1.10 -0.22 -0.02 4.77 3.86 -1.35 -3.17 115.15 120.11 2kjc h HIS 58 Ca 0.41 -0.01 0.01 0.00 -1.16 0.00 0.00 60.37 59.63 2kjc h HIS 58 Cb 0.16 0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.67 2kjc h HIS 58 CO -0.01 0.03 -0.34 1.96 0.86 0.00 0.00 177.93 180.43 2kjc h GLN 59 N -0.45 -0.39 -0.96 2.45 1.08 -1.17 0.14 115.11 115.81 2kjc h GLN 59 Ca -0.02 0.03 0.28 0.00 -1.45 0.00 0.00 58.65 57.48 2kjc h GLN 59 Cb 0.35 0.09 -0.04 0.00 -0.05 0.00 0.00 27.48 27.83 2kjc h GLN 59 CO 0.04 -0.26 1.09 -0.07 -0.95 0.00 0.00 178.83 178.67 2kjc h LEU 60 N -0.41 0.00 -0.25 1.46 3.38 -1.30 0.71 115.31 118.90 2kjc h LEU 60 Ca 0.01 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2kjc h LEU 60 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2kjc h LEU 60 CO -0.24 0.00 -0.40 0.50 0.09 0.00 0.00 178.44 178.40 2kjc h LYS 61 N 0.00 0.71 -0.11 1.13 3.64 -0.93 -2.96 116.57 118.05 2kjc h LYS 61 Ca 0.46 -0.43 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 2kjc h LYS 61 Cb 2.62 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 34.48 2kjc h LYS 61 CO -0.00 1.05 -0.03 -0.07 -2.27 0.00 0.00 179.45 178.13 2kjc h LEU 62 N 0.44 0.21 -2.10 5.20 -0.00 0.49 -2.86 115.31 116.69 2kjc h LEU 62 Ca 0.02 -0.38 0.09 0.00 -0.00 0.00 0.00 57.88 57.61 2kjc h LEU 62 Cb 0.99 -0.06 -0.01 0.00 -0.00 0.00 0.00 40.66 41.58 2kjc h LEU 62 CO 0.09 0.54 0.27 -0.07 -0.00 0.00 0.00 178.44 179.27 2kjc h LEU 63 N -0.12 0.00 -0.69 1.67 3.38 -1.56 0.10 115.31 118.09 2kjc h LEU 63 Ca 0.03 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.86 2kjc h LEU 63 Cb 0.45 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2kjc h LEU 63 CO 0.01 0.00 -0.61 0.50 0.09 0.00 0.00 178.44 178.43 2kjc h LYS 64 N 0.00 0.16 0.38 1.13 1.63 -1.33 -2.96 116.57 115.58 2kjc h LYS 64 Ca 0.14 -0.11 -0.00 0.00 -0.85 0.00 0.00 60.65 59.83 2kjc h LYS 64 Cb 0.69 0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 32.31 2kjc h LYS 64 CO -0.00 0.72 -0.41 1.03 -3.45 0.00 0.00 179.45 177.33 2kjc h SER 65 N 0.12 -1.14 0.00 4.20 0.87 -0.74 0.19 113.55 117.05 2kjc h SER 65 Ca -0.01 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2kjc h SER 65 Cb 1.10 0.38 0.00 0.00 -0.44 0.00 0.00 62.40 63.44 2kjc h SER 65 CO 0.09 -0.56 0.00 0.55 -0.53 0.00 0.00 176.83 176.38 2kjc n VAL 66 N -5.50 0.00 -1.24 2.23 3.14 -1.23 -4.75 118.33 110.98 2kjc n VAL 66 Ca -0.10 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.19 2kjc n VAL 66 Cb 0.40 -0.89 -0.04 0.00 -1.06 0.00 0.00 33.84 32.25 2kjc n VAL 66 CO 0.00 0.00 0.00 1.57 -6.46 0.00 0.00 176.83 171.94 2kjc n HIS 67 N -0.97 0.00 0.00 1.45 -0.00 0.65 -4.96 115.22 111.40 2kjc n HIS 67 Ca 0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.21 2kjc n HIS 67 Cb 0.02 -2.20 0.00 0.00 -0.12 0.00 0.00 29.99 27.68 2kjc n HIS 67 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2kjc n LEU 68 N -0.95 0.00 -4.06 0.27 7.94 -1.12 -4.87 117.00 114.21 2kjc n LEU 68 Ca -0.08 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.56 2kjc n LEU 68 Cb 0.46 0.00 0.11 0.00 0.53 0.00 0.00 43.42 44.52 2kjc n LEU 68 CO 0.13 0.00 -0.69 1.33 -1.11 0.00 0.00 177.39 177.05 2kjc n VAL 69 N 0.00 0.00 -4.19 1.96 0.24 -1.26 -4.81 118.33 110.27 2kjc n VAL 69 Ca 0.00 -0.10 -0.15 0.00 -2.04 0.00 0.00 64.34 62.05 2kjc n VAL 69 Cb 0.00 -0.35 -0.08 0.00 -1.47 0.00 0.00 33.84 31.95 2kjc n VAL 69 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2kjc s LYS 70 N -2.93 1.57 0.12 7.34 1.02 -1.26 -4.74 119.74 120.86 2kjc s LYS 70 Ca 0.38 -1.77 -0.19 0.00 0.02 0.00 0.00 55.97 54.41 2kjc s LYS 70 Cb -0.03 0.34 0.05 0.00 -0.52 0.00 0.00 37.83 37.67 2kjc s LYS 70 CO 0.47 -0.58 0.48 0.00 -0.92 0.00 0.00 175.35 174.80 2kjc s ALA 71 N -3.68 -1.21 -0.19 5.17 0.00 -1.26 -3.93 121.76 116.67 2kjc s ALA 71 Ca 0.37 0.25 -0.05 0.00 0.00 0.00 0.00 51.96 52.53 2kjc s ALA 71 Cb 0.03 0.68 0.09 0.00 0.00 0.00 0.00 23.12 23.92 2kjc s ALA 71 CO 0.19 -0.65 0.34 0.21 0.00 0.00 0.00 175.76 175.86 2kjc s LYS 72 N -3.47 0.26 0.68 0.00 2.20 -1.24 -5.03 119.74 113.14 2kjc s LYS 72 Ca 0.00 0.77 -0.17 0.00 -0.36 0.00 0.00 55.97 56.21 2kjc s LYS 72 Cb 0.00 -0.09 0.01 0.00 -1.51 0.00 0.00 37.83 36.24 2kjc s LYS 72 CO -0.10 -0.38 1.27 1.03 -0.36 0.00 0.00 175.35 176.81 2kjc s ARG 73 N 2.51 2.39 -0.41 4.03 0.52 -1.26 -3.76 118.95 122.97 2kjc s ARG 73 Ca 0.03 1.99 0.05 0.00 -0.52 0.00 0.00 55.73 57.29 2kjc s ARG 73 Cb -0.13 -1.83 0.17 0.00 0.52 0.00 0.00 34.95 33.68 2kjc s ARG 73 CO -0.12 -1.71 0.51 -0.65 0.02 0.00 0.00 175.30 173.36 2kjc s GLN 74 N -3.53 0.79 -0.28 3.54 -0.21 0.14 -4.95 119.66 115.16 2kjc s GLN 74 Ca 0.81 -0.82 -0.01 0.00 0.02 0.00 0.00 55.36 55.36 2kjc s GLN 74 Cb -0.35 -0.41 -0.01 0.00 1.00 0.00 0.00 33.01 33.23 2kjc s GLN 74 CO 0.42 -1.23 0.25 0.41 -2.12 0.00 0.00 175.29 173.01 2kjc n GLY 75 N 3.97 0.05 3.66 3.09 0.00 -1.26 -3.33 105.19 111.36 2kjc n GLY 75 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.78 -0.23 -4.41 1.61 1.13 -1.26 -4.90 117.38 107.54 2kjc n GLN 76 Ca -0.01 0.05 -0.34 0.00 -1.94 0.00 0.00 57.00 54.76 2kjc n GLN 76 Cb 0.52 -4.14 -0.12 0.00 0.11 0.00 0.00 30.24 26.62 2kjc n GLN 76 CO 0.00 0.00 0.00 -1.12 -1.44 0.00 0.00 177.06 174.50 2kjc s SER 77 N -1.76 4.87 -0.30 1.08 0.01 -1.21 -5.09 113.70 111.30 2kjc s SER 77 Ca 0.00 -0.07 -0.13 0.00 1.31 0.00 0.00 55.95 57.06 2kjc s SER 77 Cb 0.00 -1.67 -0.03 0.00 0.21 0.00 0.00 66.02 64.53 2kjc s SER 77 CO 0.00 0.22 0.27 0.00 0.41 0.00 0.00 173.24 174.15 2kjc s MET 78 N 0.04 3.81 -0.23 12.44 0.23 -1.26 0.27 119.30 134.61 2kjc s MET 78 Ca 0.00 -0.31 -0.15 0.00 -1.03 0.00 0.00 55.69 54.20 2kjc s MET 78 Cb -0.13 -3.71 -0.04 0.00 -1.53 0.00 0.00 34.83 29.42 2kjc s MET 78 CO 0.03 -0.31 0.36 -1.50 -2.03 0.00 0.00 175.02 171.57 2kjc s ILE 79 N 1.87 5.21 -0.14 3.16 1.10 -1.25 -4.66 121.20 126.49 2kjc s ILE 79 Ca 0.10 0.60 -0.07 0.00 -0.51 0.00 0.00 60.65 60.77 2kjc s ILE 79 Cb -0.16 -3.69 -0.04 0.00 0.15 0.00 0.00 42.46 38.71 2kjc s ILE 79 CO 0.11 0.23 0.11 -0.47 -2.11 0.00 0.00 174.94 172.80 2kjc s TYR 80 N 1.57 3.45 0.00 3.50 5.04 -1.26 -3.62 117.35 126.04 2kjc s TYR 80 Ca 0.16 0.37 0.00 0.00 -2.44 0.00 0.00 57.07 55.16 2kjc s TYR 80 Cb -0.15 -2.00 0.00 0.00 0.35 0.00 0.00 41.96 40.16 2kjc s TYR 80 CO 0.08 0.51 0.00 -1.13 -1.34 0.00 0.00 175.55 173.67 2kjc n SER 81 N 2.61 0.00 -4.22 4.32 3.41 -1.25 -3.83 113.62 114.66 2kjc n SER 81 Ca -0.18 -0.04 -0.30 0.00 -0.26 0.00 0.00 58.87 58.09 2kjc n SER 81 Cb 0.54 0.00 0.18 0.00 -0.26 0.00 0.00 64.21 64.66 2kjc n SER 81 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2kjc s LEU 82 N 0.00 2.46 -0.11 1.04 1.43 -1.26 -4.17 118.68 118.08 2kjc s LEU 82 Ca 0.00 0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 53.41 2kjc s LEU 82 Cb 0.00 -2.47 -0.03 0.00 0.03 0.00 0.00 46.19 43.73 2kjc s LEU 82 CO 0.00 -2.76 -0.16 -0.67 0.23 0.00 0.00 176.35 172.98 2kjc n ASP 83 N -3.81 1.26 0.00 2.29 -0.08 -1.26 -4.27 116.55 110.68 2kjc n ASP 83 Ca 0.14 0.41 0.00 0.00 -1.51 0.00 0.00 54.79 53.83 2kjc n ASP 83 Cb 0.60 -0.72 0.00 0.00 2.34 0.00 0.00 41.12 43.33 2kjc n ASP 83 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kjc n ASP 84 N -3.86 0.00 0.00 1.67 8.00 -1.26 -4.94 116.55 116.16 2kjc n ASP 84 Ca -0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.43 2kjc n ASP 84 Cb 0.24 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.34 2kjc n ASP 84 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2kjc n ILE 85 N -0.64 0.00 0.09 0.53 -6.64 -1.26 -4.91 119.36 106.53 2kjc n ILE 85 Ca 0.00 0.00 -0.15 0.00 -1.77 0.00 0.00 62.75 60.83 2kjc n ILE 85 Cb 0.00 0.27 -0.09 0.00 -1.44 0.00 0.00 39.64 38.37 2kjc n ILE 85 CO 0.00 0.00 0.00 0.45 -1.77 0.00 0.00 176.55 175.23 2kjc h HIS 86 N 0.00 0.60 -0.37 4.28 3.86 -1.97 -1.15 115.15 120.40 2kjc h HIS 86 Ca 0.00 -0.38 -0.08 0.00 -1.16 0.00 0.00 60.37 58.75 2kjc h HIS 86 Cb 0.36 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 2kjc h HIS 86 CO 0.00 1.24 -0.07 0.28 0.86 0.00 0.00 177.93 180.24 2kjc h VAL 87 N 0.17 1.27 0.13 2.45 2.07 -1.99 -2.02 116.25 118.32 2kjc h VAL 87 Ca -0.12 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.27 2kjc h VAL 87 Cb 1.78 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 2kjc h VAL 87 CO 0.19 0.37 -0.06 0.00 0.02 0.00 0.00 177.57 178.09 2kjc h ALA 88 N 0.84 -0.17 -1.07 1.67 0.00 -1.91 -3.05 119.26 115.56 2kjc h ALA 88 Ca 0.10 -0.24 0.30 0.00 0.00 0.00 0.00 54.91 55.07 2kjc h ALA 88 Cb 0.57 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 2kjc h ALA 88 CO 0.03 -0.31 0.76 1.15 0.00 0.00 0.00 179.25 180.88 2kjc h THR 89 N -0.74 0.47 -0.71 0.00 2.02 -1.25 0.47 112.91 113.17 2kjc h THR 89 Ca -0.02 -0.02 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 2kjc h THR 89 Cb 0.53 0.40 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 2kjc h THR 89 CO 0.03 0.01 0.32 -0.03 0.37 0.00 0.00 175.52 176.23 2kjc h MET 90 N 0.07 1.03 -0.00 6.66 4.05 -1.25 -2.07 114.93 123.42 2kjc h MET 90 Ca 0.53 -0.16 -0.00 0.00 -0.28 0.00 0.00 59.70 59.78 2kjc h MET 90 Cb 1.96 -0.18 0.00 0.00 -0.80 0.00 0.00 31.60 32.58 2kjc h MET 90 CO -0.06 0.82 -0.00 -0.07 0.23 0.00 0.00 176.91 177.83 2kjc h LEU 91 N 1.00 0.01 -2.32 3.39 3.38 -0.10 -2.79 115.31 117.87 2kjc h LEU 91 Ca 0.24 -0.62 0.04 0.00 0.09 0.00 0.00 57.88 57.63 2kjc h LEU 91 Cb 0.14 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 2kjc h LEU 91 CO -0.03 0.62 0.18 0.11 0.09 0.00 0.00 178.44 179.41 2kjc h LYS 92 N -0.61 0.00 0.00 1.13 1.57 -1.28 0.19 116.57 117.57 2kjc h LYS 92 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2kjc h LYS 92 Cb 0.62 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.92 2kjc h LYS 92 CO 0.00 0.00 -0.90 1.96 -0.57 0.00 0.00 179.45 179.94 2kjc h GLN 93 N 0.00 0.00 -0.04 3.15 4.20 -1.35 -3.14 115.11 117.93 2kjc h GLN 93 Ca 0.06 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 2kjc h GLN 93 Cb 0.41 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.20 2kjc h GLN 93 CO -0.00 0.25 -0.18 0.00 -0.67 0.00 0.00 178.83 178.23 2kjc h ALA 94 N 1.64 0.08 0.00 3.87 0.00 -0.36 -2.95 119.26 121.55 2kjc h ALA 94 Ca -0.06 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 2kjc h ALA 94 Cb 1.33 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.11 2kjc h ALA 94 CO 0.04 0.03 -0.15 0.82 0.00 0.00 0.00 179.25 179.99 2kjc h ILE 95 N -0.36 0.48 0.63 0.00 1.08 -1.57 -2.73 117.51 115.04 2kjc h ILE 95 Ca -0.01 -0.78 -0.03 0.00 -0.39 0.00 0.00 64.86 63.65 2kjc h ILE 95 Cb 0.83 1.54 0.01 0.00 -3.07 0.00 0.00 36.82 36.13 2kjc h ILE 95 CO 0.04 0.15 -0.30 -0.74 -0.69 0.00 0.00 178.15 176.60 2kjc h HIS 96 N 0.00 -0.78 0.00 1.37 2.76 -1.50 -3.09 115.15 113.91 2kjc h HIS 96 Ca -0.00 -0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.15 2kjc h HIS 96 Cb 0.52 0.26 0.00 0.00 1.55 0.00 0.00 27.41 29.74 2kjc h HIS 96 CO 0.00 -0.49 0.00 1.25 -1.30 0.00 0.00 177.93 177.39 2kjc h HIS 97 N -1.20 0.00 0.00 5.26 -0.00 -1.52 -3.28 115.15 114.40 2kjc h HIS 97 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 2kjc h HIS 97 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.06 2kjc h HIS 97 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.93 177.93 2kjc n ALA 98 N -1.98 -0.10 -1.98 5.26 0.00 -1.03 -4.78 120.51 115.90 2kjc n ALA 98 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.17 2kjc n ALA 98 Cb 0.13 0.09 0.05 0.00 0.00 0.00 0.00 19.45 19.72 2kjc n ALA 98 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2kjc s ASN 99 N -2.28 5.09 -0.48 0.00 2.20 -1.24 -5.07 114.94 113.16 2kjc s ASN 99 Ca 0.00 0.45 0.06 0.00 -0.94 0.00 0.00 52.86 52.43 2kjc s ASN 99 Cb 0.00 -1.22 0.26 0.00 -2.00 0.00 0.00 41.25 38.28 2kjc s ASN 99 CO 0.00 -1.39 0.91 1.41 -2.94 0.00 0.00 177.10 175.10 2kjc n HIS 100 N -2.74 -3.08 0.15 1.54 8.25 -1.26 -4.92 115.22 113.15 2kjc n HIS 100 Ca 0.07 -1.93 0.08 0.00 -0.26 0.00 0.00 57.72 55.68 2kjc n HIS 100 Cb 0.60 1.47 0.06 0.00 1.12 0.00 0.00 29.99 33.24 2kjc n HIS 100 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2kjc h PRO 101 N 3.80 0.00 -6.89 -0.41 0.13 -1.97 -3.46 132.00 123.20 2kjc h PRO 101 Ca -0.13 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.48 2kjc h PRO 101 Cb 1.04 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.24 2kjc h PRO 101 CO 0.30 0.16 0.65 0.21 -0.23 0.00 0.00 178.00 179.09 2kjc s LYS 102 N -3.15 4.30 0.00 0.86 2.20 -1.26 -5.36 119.74 117.33 2kjc s LYS 102 Ca 0.03 2.24 0.00 0.00 -0.36 0.00 0.00 55.97 57.88 2kjc s LYS 102 Cb 0.07 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.36 2kjc s LYS 102 CO 0.73 -0.24 0.00 -1.91 -0.36 0.00 0.00 175.35 173.57