#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 0.00 0.00 5.53 1.35 -2.06 -3.05 112.91 114.68 2kjc h THR 10 Ca 0.00 -0.73 -0.03 0.00 -0.55 0.00 0.00 66.41 65.10 2kjc h THR 10 Cb 0.00 1.71 -0.00 0.00 -1.73 0.00 0.00 68.15 68.12 2kjc h THR 10 CO 0.00 0.00 -0.12 -2.24 -0.25 0.00 0.00 175.52 172.91 2kjc h ASP 11 N 0.00 0.00 -0.93 5.36 3.04 -2.04 -2.82 116.42 119.03 2kjc h ASP 11 Ca 0.00 0.00 0.04 0.00 -3.24 0.00 0.00 57.03 53.83 2kjc h ASP 11 Cb 0.79 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.02 2kjc h ASP 11 CO 0.00 0.12 0.60 0.71 -2.04 0.00 0.00 179.24 178.63 2kjc h THR 12 N 0.00 1.15 -0.01 1.15 1.35 -1.96 0.55 112.91 115.14 2kjc h THR 12 Ca -0.00 -0.40 -0.01 0.00 -0.55 0.00 0.00 66.41 65.45 2kjc h THR 12 Cb 0.47 -0.12 0.00 0.00 -1.73 0.00 0.00 68.15 66.78 2kjc h THR 12 CO 0.02 0.21 -0.03 0.25 -0.25 0.00 0.00 175.52 175.72 2kjc h LEU 13 N 1.17 0.04 -1.52 3.87 7.12 -1.71 -2.24 115.31 122.03 2kjc h LEU 13 Ca 0.37 -0.63 0.00 0.00 0.13 0.00 0.00 57.88 57.75 2kjc h LEU 13 Cb 0.01 -0.01 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 2kjc h LEU 13 CO -0.12 0.66 0.00 -0.08 -0.13 0.00 0.00 178.44 178.77 2kjc h GLU 14 N -0.57 0.00 0.00 1.25 4.81 -1.46 -3.12 114.58 115.49 2kjc h GLU 14 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kjc h GLU 14 Cb 0.66 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2kjc h GLU 14 CO 0.01 0.00 0.00 -2.13 -0.73 0.00 0.00 179.01 176.16 2kjc n ARG 15 N -2.56 0.00 -0.69 1.92 3.00 0.19 -3.75 116.66 114.77 2kjc n ARG 15 Ca -0.00 0.45 0.53 0.00 -0.00 0.00 0.00 57.85 58.82 2kjc n ARG 15 Cb 0.15 -0.95 0.82 0.00 0.00 0.00 0.00 32.46 32.48 2kjc n ARG 15 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.63 177.24 2kjc h VAL 16 N 0.00 0.02 0.07 5.15 -1.51 -1.43 0.46 116.25 119.01 2kjc h VAL 16 Ca 0.00 -0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2kjc h VAL 16 Cb 0.00 0.02 0.00 0.00 -2.13 0.00 0.00 31.29 29.18 2kjc h VAL 16 CO 0.00 0.00 -0.03 0.71 -1.23 0.00 0.00 177.57 177.02 2kjc h THR 17 N 0.00 1.12 -0.02 7.19 1.35 -1.68 -2.90 112.91 117.97 2kjc h THR 17 Ca 0.93 -0.63 0.01 0.00 -0.55 0.00 0.00 66.41 66.16 2kjc h THR 17 Cb 3.71 1.53 -0.00 0.00 -1.73 0.00 0.00 68.15 71.66 2kjc h THR 17 CO -0.02 0.16 0.02 -0.33 -0.25 0.00 0.00 175.52 175.10 2kjc h GLU 18 N -0.37 0.00 0.38 4.72 5.08 -0.16 -2.78 114.58 121.45 2kjc h GLU 18 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 2kjc h GLU 18 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2kjc h GLU 18 CO 0.01 0.00 -0.18 0.82 -1.00 0.00 0.00 179.01 178.66 2kjc h ILE 19 N 0.00 0.00 -0.10 3.13 1.08 -1.33 -2.88 117.51 117.41 2kjc h ILE 19 Ca 0.01 -0.24 0.04 0.00 -0.39 0.00 0.00 64.86 64.27 2kjc h ILE 19 Cb 0.06 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 33.74 2kjc h ILE 19 CO -0.00 0.00 -0.47 -0.26 -0.69 0.00 0.00 178.15 176.73 2kjc h PHE 20 N -0.75 -1.36 -0.98 1.37 0.04 -1.45 -0.90 116.94 112.91 2kjc h PHE 20 Ca -0.05 0.05 0.33 0.00 2.80 0.00 0.00 57.97 61.10 2kjc h PHE 20 Cb 0.39 0.61 -0.16 0.00 2.20 0.00 0.00 35.95 38.99 2kjc h PHE 20 CO 0.05 -0.51 0.45 0.87 -0.60 0.00 0.00 178.31 178.57 2kjc h LYS 21 N -0.55 0.18 0.00 1.51 1.79 -1.61 1.82 116.57 119.71 2kjc h LYS 21 Ca 0.05 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.47 2kjc h LYS 21 Cb 0.66 -0.04 -0.01 0.00 -1.58 0.00 0.00 32.23 31.27 2kjc h LYS 21 CO -0.40 0.12 -0.21 0.00 -1.08 0.00 0.00 179.45 177.89 2kjc h ALA 22 N 1.89 1.21 0.00 3.86 0.00 -0.94 -1.41 119.26 123.88 2kjc h ALA 22 Ca 0.72 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.44 2kjc h ALA 22 Cb 1.69 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.45 2kjc h ALA 22 CO -0.69 0.26 0.00 -0.11 0.00 0.00 0.00 179.25 178.71 2kjc n LEU 23 N -3.65 0.00 -4.57 0.00 7.94 0.62 -4.65 117.00 112.69 2kjc n LEU 23 Ca -0.01 0.22 -0.26 0.00 -1.11 0.00 0.00 56.01 54.85 2kjc n LEU 23 Cb 0.33 -0.22 -0.06 0.00 0.53 0.00 0.00 43.42 44.00 2kjc n LEU 23 CO 0.33 -0.01 1.39 -0.83 -1.11 0.00 0.00 177.39 177.16 2kjc s GLY 24 N -2.44 0.03 -0.21 -3.96 0.00 -0.53 -4.80 107.32 95.40 2kjc s GLY 24 Ca 0.31 -1.75 -0.30 0.00 0.00 0.00 0.00 44.72 42.98 2kjc s GLY 24 CO 0.42 3.61 1.17 -0.35 0.00 0.00 0.00 173.10 177.95 2kjc s ASP 25 N 7.55 -0.21 0.00 1.64 -1.08 -1.26 -5.09 116.67 118.22 2kjc s ASP 25 Ca 0.71 0.21 0.00 0.00 -0.52 0.00 0.00 52.55 52.96 2kjc s ASP 25 Cb -0.04 0.17 0.00 0.00 -1.46 0.00 0.00 42.92 41.59 2kjc s ASP 25 CO 0.07 -0.20 0.00 -1.22 0.52 0.00 0.00 175.17 174.34 2kjc n TYR 26 N 0.57 0.00 0.29 -5.34 4.01 -1.26 -4.21 117.16 111.22 2kjc n TYR 26 Ca -0.05 0.00 0.09 0.00 -0.16 0.00 0.00 57.90 57.77 2kjc n TYR 26 Cb 0.58 -0.24 0.45 0.00 -0.31 0.00 0.00 39.34 39.83 2kjc n TYR 26 CO 0.00 0.00 0.00 -0.91 -0.46 0.00 0.00 176.86 175.49 2kjc h ASN 27 N 0.00 0.00 0.24 7.72 -0.26 -2.00 0.68 115.58 121.97 2kjc h ASN 27 Ca 0.00 0.00 -0.15 0.00 -0.56 0.00 0.00 56.30 55.59 2kjc h ASN 27 Cb 0.00 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.25 2kjc h ASN 27 CO 0.00 0.00 -0.59 -0.09 -1.06 0.00 0.00 177.43 175.69 2kjc h ARG 28 N 0.00 0.35 -0.24 0.81 9.65 -1.97 -2.53 114.38 120.46 2kjc h ARG 28 Ca 0.00 -0.24 -0.10 0.00 -1.10 0.00 0.00 59.98 58.54 2kjc h ARG 28 Cb 1.05 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.65 2kjc h ARG 28 CO 0.00 0.84 -0.28 0.82 2.80 0.00 0.00 179.97 184.15 2kjc h ILE 29 N 0.27 1.27 -0.05 1.20 1.08 0.22 -1.92 117.51 119.57 2kjc h ILE 29 Ca -0.00 -1.33 -0.19 0.00 -0.39 0.00 0.00 64.86 62.95 2kjc h ILE 29 Cb 1.11 1.40 -0.01 0.00 -3.07 0.00 0.00 36.82 36.26 2kjc h ILE 29 CO 0.10 0.42 -0.77 -0.09 -0.69 0.00 0.00 178.15 177.12 2kjc h ARG 30 N 0.42 0.35 0.00 2.37 9.65 -1.54 -2.26 114.38 123.37 2kjc h ARG 30 Ca 0.06 -0.31 -0.07 0.00 -1.10 0.00 0.00 59.98 58.56 2kjc h ARG 30 Cb 0.71 0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.35 2kjc h ARG 30 CO 0.05 0.96 -0.32 0.82 2.80 0.00 0.00 179.97 184.29 2kjc h ILE 31 N 0.23 0.68 0.14 1.20 2.04 -1.27 -2.99 117.51 117.54 2kjc h ILE 31 Ca -0.04 -1.48 -0.29 0.00 1.00 0.00 0.00 64.86 64.06 2kjc h ILE 31 Cb 1.35 1.97 0.01 0.00 -0.74 0.00 0.00 36.82 39.41 2kjc h ILE 31 CO 0.13 0.31 -1.35 -0.03 0.00 0.00 0.00 178.15 177.21 2kjc h MET 32 N 0.00 0.30 -0.18 2.37 4.05 -1.26 -3.13 114.93 117.08 2kjc h MET 32 Ca -0.00 -0.51 -0.05 0.00 -0.28 0.00 0.00 59.70 58.86 2kjc h MET 32 Cb 0.95 0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 31.93 2kjc h MET 32 CO 0.04 1.22 -0.11 1.49 0.23 0.00 0.00 176.91 179.78 2kjc h GLU 33 N 0.08 0.28 0.28 0.39 4.81 -1.34 -2.88 114.58 116.20 2kjc h GLU 33 Ca -0.18 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 58.97 2kjc h GLU 33 Cb 2.01 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.35 2kjc h GLU 33 CO 0.20 0.41 -0.13 1.25 -0.73 0.00 0.00 179.01 180.00 2kjc h LEU 34 N 0.27 -0.32 -1.45 1.64 5.85 -1.58 -3.18 115.31 116.54 2kjc h LEU 34 Ca 0.05 0.01 0.21 0.00 0.84 0.00 0.00 57.88 59.00 2kjc h LEU 34 Cb 0.37 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 2kjc h LEU 34 CO 0.02 -0.03 0.87 -0.07 -0.34 0.00 0.00 178.44 178.89 2kjc h LEU 35 N -0.77 0.00 0.15 2.25 3.38 -1.57 0.35 115.31 119.09 2kjc h LEU 35 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2kjc h LEU 35 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2kjc h LEU 35 CO 0.06 0.00 -0.07 -1.28 0.09 0.00 0.00 178.44 177.24 2kjc h SER 36 N 0.00 -0.17 0.86 -0.43 0.87 -1.49 -3.31 113.55 109.88 2kjc h SER 36 Ca 0.34 -0.22 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 2kjc h SER 36 Cb 2.07 0.04 0.01 0.00 -0.44 0.00 0.00 62.40 64.09 2kjc h SER 36 CO -0.00 0.14 -0.41 0.58 -0.53 0.00 0.00 176.83 176.60 2kjc h VAL 37 N -0.49 0.04 -2.71 2.23 2.07 -0.34 -3.46 116.25 113.59 2kjc h VAL 37 Ca -0.02 -0.13 -0.12 0.00 0.82 0.00 0.00 66.70 67.25 2kjc h VAL 37 Cb 0.38 0.04 -0.25 0.00 -1.52 0.00 0.00 31.29 29.95 2kjc h VAL 37 CO 0.03 0.00 -0.25 -0.44 0.02 0.00 0.00 177.57 176.93 2kjc s SER 38 N -4.23 -0.46 0.62 0.57 0.01 -0.87 -5.14 113.70 104.20 2kjc s SER 38 Ca -0.17 0.85 -0.14 0.00 1.31 0.00 0.00 55.95 57.80 2kjc s SER 38 Cb 0.02 0.82 -0.03 0.00 0.21 0.00 0.00 66.02 67.04 2kjc s SER 38 CO 0.53 -0.16 1.05 -1.83 0.41 0.00 0.00 173.24 173.24 2kjc s GLU 39 N 0.59 3.26 0.30 12.44 1.03 -1.25 -4.12 118.70 130.95 2kjc s GLU 39 Ca -0.03 1.09 -0.09 0.00 0.03 0.00 0.00 54.97 55.97 2kjc s GLU 39 Cb -0.05 -2.03 0.04 0.00 -0.80 0.00 0.00 34.13 31.29 2kjc s GLU 39 CO -0.04 -0.85 0.55 0.00 -1.33 0.00 0.00 175.26 173.60 2kjc n ALA 40 N -2.36 -1.11 -2.22 -0.84 0.00 -1.26 -5.07 120.51 107.66 2kjc n ALA 40 Ca 0.08 -1.04 -0.32 0.00 0.00 0.00 0.00 53.44 52.16 2kjc n ALA 40 Cb 0.53 0.83 -0.05 0.00 0.00 0.00 0.00 19.45 20.76 2kjc n ALA 40 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2kjc s SER 41 N -2.62 6.69 0.26 0.00 1.04 -1.26 -3.71 113.70 114.10 2kjc s SER 41 Ca 0.15 1.16 -0.03 0.00 0.48 0.00 0.00 55.95 57.71 2kjc s SER 41 Cb -0.03 -2.32 0.52 0.00 0.10 0.00 0.00 66.02 64.29 2kjc s SER 41 CO 0.11 -0.21 1.70 1.62 0.98 0.00 0.00 173.24 177.44 2kjc h VAL 42 N 1.80 0.54 0.00 5.02 3.04 -1.96 0.47 116.25 125.15 2kjc h VAL 42 Ca -0.47 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 2kjc h VAL 42 Cb 1.18 0.16 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 2kjc h VAL 42 CO 0.66 0.06 0.00 1.23 -1.01 0.00 0.00 177.57 178.51 2kjc h GLY 43 N 0.35 0.00 2.00 3.17 0.00 -1.94 0.12 103.07 106.77 2kjc h GLY 43 Ca 0.45 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.77 2kjc h GLY 43 CO -0.49 0.00 -0.03 0.84 0.00 0.00 0.00 176.54 176.87 2kjc h HIS 44 N 0.00 0.00 0.00 5.60 6.17 -0.43 -3.09 115.15 123.40 2kjc h HIS 44 Ca 0.00 0.00 -0.15 0.00 0.71 0.00 0.00 60.37 60.93 2kjc h HIS 44 Cb 0.02 0.00 -0.02 0.00 2.52 0.00 0.00 27.41 29.93 2kjc h HIS 44 CO 0.00 0.03 -0.72 0.82 0.71 0.00 0.00 177.93 178.76 2kjc h ILE 45 N 0.00 1.47 -0.83 6.26 5.03 -0.97 -3.28 117.51 125.18 2kjc h ILE 45 Ca -0.00 -2.52 0.19 0.00 -0.12 0.00 0.00 64.86 62.41 2kjc h ILE 45 Cb 0.87 2.38 -0.15 0.00 -3.03 0.00 0.00 36.82 36.89 2kjc h ILE 45 CO 0.00 0.71 -0.04 0.77 -0.68 0.00 0.00 178.15 178.92 2kjc h SER 46 N 0.00 -0.47 0.00 1.72 4.64 -1.61 0.81 113.55 118.65 2kjc h SER 46 Ca -0.01 0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 2kjc h SER 46 Cb 1.32 0.42 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 2kjc h SER 46 CO 0.09 -0.24 0.32 1.41 -0.87 0.00 0.00 176.83 177.54 2kjc n HIS 47 N -5.42 0.34 -0.09 4.77 8.25 -1.24 0.25 115.22 122.08 2kjc n HIS 47 Ca 0.15 0.18 -0.11 0.00 -0.26 0.00 0.00 57.72 57.69 2kjc n HIS 47 Cb 0.53 -0.56 -0.04 0.00 1.12 0.00 0.00 29.99 31.03 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 -1.90 0.50 -0.07 -0.41 6.02 0.28 -4.74 117.38 117.05 2kjc n GLN 48 Ca -0.01 0.45 -0.22 0.00 -0.01 0.00 0.00 57.00 57.21 2kjc n GLN 48 Cb 0.33 -1.64 -0.12 0.00 1.02 0.00 0.00 30.24 29.84 2kjc n GLN 48 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2kjc n LEU 49 N -4.52 2.16 -2.92 1.08 4.77 -0.59 -5.06 117.00 111.92 2kjc n LEU 49 Ca -0.17 0.33 -0.10 0.00 -0.03 0.00 0.00 56.01 56.03 2kjc n LEU 49 Cb 0.45 -1.00 0.01 0.00 -2.33 0.00 0.00 43.42 40.55 2kjc n LEU 49 CO 0.14 0.51 -0.10 -3.20 -1.33 0.00 0.00 177.39 173.41 2kjc n ASN 50 N -4.07 -7.63 0.01 -1.43 2.85 0.68 -4.98 115.26 100.68 2kjc n ASN 50 Ca -0.35 0.60 0.00 0.00 -0.11 0.00 0.00 54.58 54.72 2kjc n ASN 50 Cb 0.83 -4.81 0.00 0.00 1.24 0.00 0.00 39.78 37.04 2kjc n ASN 50 CO 0.00 0.00 0.00 -0.11 -2.11 0.00 0.00 177.26 175.04 2kjc n LEU 51 N -0.06 -0.09 -3.65 1.20 0.00 -1.26 -5.08 117.00 108.04 2kjc n LEU 51 Ca 0.07 0.03 -0.07 0.00 0.00 0.00 0.00 56.01 56.04 2kjc n LEU 51 Cb 0.41 0.36 -0.07 0.00 0.00 0.00 0.00 43.42 44.12 2kjc n LEU 51 CO 0.47 -0.49 0.25 -0.44 0.00 0.00 0.00 177.39 177.19 2kjc s SER 52 N -2.35 -0.85 0.45 1.96 0.01 -1.26 -5.03 113.70 106.62 2kjc s SER 52 Ca 0.00 1.37 0.21 0.00 1.31 0.00 0.00 55.95 58.84 2kjc s SER 52 Cb 0.00 1.42 1.05 0.00 0.21 0.00 0.00 66.02 68.71 2kjc s SER 52 CO 0.00 -0.23 1.92 -0.61 0.41 0.00 0.00 173.24 174.74 2kjc h GLN 53 N 7.28 0.00 0.01 12.44 4.15 -2.00 -2.71 115.11 134.28 2kjc h GLN 53 Ca -0.28 0.00 -0.23 0.00 0.77 0.00 0.00 58.65 58.91 2kjc h GLN 53 Cb 1.19 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.85 2kjc h GLN 53 CO 0.17 0.24 -1.13 0.77 -1.93 0.00 0.00 178.83 176.95 2kjc h SER 54 N 0.00 0.03 -0.19 -0.69 0.02 -1.99 -2.81 113.55 107.93 2kjc h SER 54 Ca -0.00 -0.04 -0.09 0.00 -0.84 0.00 0.00 61.79 60.82 2kjc h SER 54 Cb 0.55 -0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.08 2kjc h SER 54 CO 0.03 1.03 -0.24 -1.13 -1.14 0.00 0.00 176.83 175.38 2kjc h ASN 55 N 0.01 0.54 0.31 3.07 -1.24 -1.90 -1.90 115.58 114.45 2kjc h ASN 55 Ca -0.06 -0.50 -0.15 0.00 0.71 0.00 0.00 56.30 56.29 2kjc h ASN 55 Cb 1.82 -0.15 -0.01 0.00 0.73 0.00 0.00 38.32 40.71 2kjc h ASN 55 CO 0.13 0.93 -0.60 -0.37 -1.29 0.00 0.00 177.43 176.23 2kjc h VAL 56 N 0.15 1.37 0.36 2.57 -1.51 -1.62 -3.22 116.25 114.37 2kjc h VAL 56 Ca 0.02 -1.96 -0.02 0.00 -1.23 0.00 0.00 66.70 63.52 2kjc h VAL 56 Cb 0.80 1.97 0.00 0.00 -2.13 0.00 0.00 31.29 31.93 2kjc h VAL 56 CO 0.06 0.58 -0.17 0.28 -1.23 0.00 0.00 177.57 177.08 2kjc h SER 57 N 0.22 -0.41 -1.06 4.19 0.02 -1.47 -2.80 113.55 112.23 2kjc h SER 57 Ca -0.01 -0.07 0.35 0.00 -0.84 0.00 0.00 61.79 61.23 2kjc h SER 57 Cb 1.11 0.11 -0.15 0.00 0.14 0.00 0.00 62.40 63.61 2kjc h SER 57 CO 0.10 -0.18 0.62 -0.74 -1.14 0.00 0.00 176.83 175.49 2kjc h HIS 58 N -0.64 0.83 0.53 3.45 6.17 -1.35 -0.51 115.15 123.63 2kjc h HIS 58 Ca -0.05 0.03 -0.02 0.00 0.71 0.00 0.00 60.37 61.04 2kjc h HIS 58 Cb 0.46 -0.21 -0.00 0.00 2.52 0.00 0.00 27.41 30.18 2kjc h HIS 58 CO -0.02 -0.21 -0.29 1.96 0.71 0.00 0.00 177.93 180.08 2kjc h GLN 59 N 0.24 -0.74 -0.00 5.26 4.20 -1.51 -2.12 115.11 120.44 2kjc h GLN 59 Ca 0.76 0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.52 2kjc h GLN 59 Cb 1.91 0.17 -0.00 0.00 0.30 0.00 0.00 27.48 29.85 2kjc h GLN 59 CO -0.58 -0.49 0.39 -0.07 -0.67 0.00 0.00 178.83 177.41 2kjc h LEU 60 N -0.77 0.00 -0.22 1.46 4.07 -1.08 0.15 115.31 118.92 2kjc h LEU 60 Ca -0.07 0.00 -0.21 0.00 0.08 0.00 0.00 57.88 57.69 2kjc h LEU 60 Cb 0.61 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.35 2kjc h LEU 60 CO 0.09 0.00 -0.68 0.11 -1.08 0.00 0.00 178.44 176.88 2kjc h LYS 61 N 0.00 0.84 -0.43 1.13 1.79 -1.29 0.05 116.57 118.66 2kjc h LYS 61 Ca 0.00 -0.61 -0.11 0.00 -2.18 0.00 0.00 60.65 57.75 2kjc h LYS 61 Cb 0.78 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.52 2kjc h LYS 61 CO -0.00 1.23 -0.16 -0.07 -1.08 0.00 0.00 179.45 179.37 2kjc h LEU 62 N 0.61 0.81 -0.59 2.94 -0.00 -0.71 -2.28 115.31 116.09 2kjc h LEU 62 Ca -0.02 -0.27 -0.15 0.00 -0.00 0.00 0.00 57.88 57.44 2kjc h LEU 62 Cb 1.30 -0.22 -0.02 0.00 -0.00 0.00 0.00 40.66 41.72 2kjc h LEU 62 CO 0.14 0.97 -0.70 -0.07 -0.00 0.00 0.00 178.44 178.78 2kjc h LEU 63 N 0.72 0.08 -0.17 1.67 3.38 -1.43 -2.69 115.31 116.86 2kjc h LEU 63 Ca 0.11 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2kjc h LEU 63 Cb 0.66 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2kjc h LEU 63 CO 0.05 0.75 0.00 1.17 0.09 0.00 0.00 178.44 180.50 2kjc n LYS 64 N -3.74 0.12 0.05 1.13 4.81 -0.00 -2.61 118.16 117.90 2kjc n LYS 64 Ca -0.02 0.22 -0.15 0.00 -0.87 0.00 0.00 58.31 57.49 2kjc n LYS 64 Cb 0.68 -1.67 -0.14 0.00 0.02 0.00 0.00 35.03 33.92 2kjc n LYS 64 CO 0.00 0.00 0.00 0.77 1.17 0.00 0.00 177.40 179.34 2kjc h SER 65 N 0.00 0.30 0.00 3.14 0.02 -1.07 -3.41 113.55 112.53 2kjc h SER 65 Ca 0.00 -0.45 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 2kjc h SER 65 Cb 0.47 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.92 2kjc h SER 65 CO 0.00 1.38 0.00 0.52 -1.14 0.00 0.00 176.83 177.59 2kjc n VAL 66 N -3.38 0.00 -0.26 2.27 0.31 -1.17 -4.96 118.33 111.13 2kjc n VAL 66 Ca -0.16 0.77 0.00 0.00 -0.01 0.00 0.00 64.34 64.94 2kjc n VAL 66 Cb 1.04 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.33 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 -1.67 0.00 -4.22 3.52 -0.00 -1.22 -5.15 115.22 106.48 2kjc n HIS 67 Ca 0.00 0.00 -0.23 0.00 0.46 0.00 0.00 57.72 57.95 2kjc n HIS 67 Cb 0.00 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 29.81 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 0.00 3.43 0.23 0.27 1.43 -1.07 -4.99 118.68 117.98 2kjc s LEU 68 Ca 0.00 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.63 2kjc s LEU 68 Cb 0.00 -1.98 0.00 0.00 0.03 0.00 0.00 46.19 44.24 2kjc s LEU 68 CO 0.00 0.00 0.00 0.52 0.23 0.00 0.00 176.35 177.10 2kjc n VAL 69 N -0.87 -4.95 -3.82 -1.59 0.31 -1.26 -2.83 118.33 103.32 2kjc n VAL 69 Ca -0.07 1.81 -0.09 0.00 -0.01 0.00 0.00 64.34 65.97 2kjc n VAL 69 Cb 0.58 -2.87 -0.06 0.00 -0.91 0.00 0.00 33.84 30.58 2kjc n VAL 69 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 2kjc s LYS 70 N -2.58 1.02 0.14 5.55 2.20 -1.25 -4.33 119.74 120.49 2kjc s LYS 70 Ca 0.00 -0.95 -0.18 0.00 -0.36 0.00 0.00 55.97 54.47 2kjc s LYS 70 Cb 0.00 0.40 0.05 0.00 -1.51 0.00 0.00 37.83 36.76 2kjc s LYS 70 CO 0.00 -0.37 0.48 0.00 -0.36 0.00 0.00 175.35 175.10 2kjc s ALA 71 N -3.88 -1.16 -0.04 3.13 0.00 -1.26 -3.07 121.76 115.48 2kjc s ALA 71 Ca 0.08 0.12 -0.02 0.00 0.00 0.00 0.00 51.96 52.14 2kjc s ALA 71 Cb 0.03 0.77 0.03 0.00 0.00 0.00 0.00 23.12 23.96 2kjc s ALA 71 CO -0.08 -0.70 0.09 0.21 0.00 0.00 0.00 175.76 175.28 2kjc s LYS 72 N -3.79 0.01 0.70 0.00 2.47 -1.20 -5.02 119.74 112.91 2kjc s LYS 72 Ca 0.03 0.31 -0.16 0.00 -1.56 0.00 0.00 55.97 54.59 2kjc s LYS 72 Cb 0.01 -0.26 0.02 0.00 -1.46 0.00 0.00 37.83 36.14 2kjc s LYS 72 CO -0.12 -0.20 1.26 1.03 0.16 0.00 0.00 175.35 177.48 2kjc s ARG 73 N 1.36 2.27 -0.26 4.03 0.52 -1.26 -3.63 118.95 121.98 2kjc s ARG 73 Ca -0.06 1.95 -0.02 0.00 -0.52 0.00 0.00 55.73 57.07 2kjc s ARG 73 Cb -0.12 -1.83 0.15 0.00 0.52 0.00 0.00 34.95 33.67 2kjc s ARG 73 CO -0.04 -1.78 0.42 -1.14 0.02 0.00 0.00 175.30 172.78 2kjc s GLN 74 N -3.64 0.39 5.06 3.54 2.00 0.10 -4.94 119.66 122.17 2kjc s GLN 74 Ca 0.79 0.57 0.00 0.00 -2.00 0.00 0.00 55.36 54.72 2kjc s GLN 74 Cb -0.34 -0.28 0.00 0.00 0.80 0.00 0.00 33.01 33.19 2kjc s GLN 74 CO 0.43 -0.69 0.00 0.41 -0.50 0.00 0.00 175.29 174.94 2kjc n GLY 75 N 5.37 1.43 0.17 2.59 0.00 -1.26 -2.17 105.19 111.32 2kjc n GLY 75 Ca -0.03 0.11 0.06 0.00 0.00 0.00 0.00 46.02 46.16 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 0.00 1.08 -3.91 1.61 3.00 -1.26 -5.06 117.38 112.84 2kjc n GLN 76 Ca 0.00 -1.92 -0.09 0.00 -0.01 0.00 0.00 57.00 54.98 2kjc n GLN 76 Cb 0.00 -1.12 -0.07 0.00 0.00 0.00 0.00 30.24 29.05 2kjc n GLN 76 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2kjc s SER 77 N -1.99 0.07 -0.06 1.08 0.01 -0.92 -5.17 113.70 106.72 2kjc s SER 77 Ca 0.18 -0.77 0.03 0.00 1.31 0.00 0.00 55.95 56.70 2kjc s SER 77 Cb 0.16 0.39 -0.02 0.00 0.21 0.00 0.00 66.02 66.76 2kjc s SER 77 CO 0.02 -0.82 -0.15 0.00 0.41 0.00 0.00 173.24 172.70 2kjc s MET 78 N -3.92 2.65 -0.08 12.44 0.23 -1.26 -0.72 119.30 128.63 2kjc s MET 78 Ca 0.12 -0.71 0.00 0.00 -1.03 0.00 0.00 55.69 54.07 2kjc s MET 78 Cb 0.04 -2.40 -0.03 0.00 -1.53 0.00 0.00 34.83 30.91 2kjc s MET 78 CO -0.05 0.54 -0.07 0.42 -2.03 0.00 0.00 175.02 173.83 2kjc s ILE 79 N -0.51 3.68 -0.06 3.16 1.01 -1.24 -4.64 121.20 122.61 2kjc s ILE 79 Ca 0.07 -0.48 0.00 0.00 0.00 0.00 0.00 60.65 60.25 2kjc s ILE 79 Cb -0.12 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.80 2kjc s ILE 79 CO 0.01 0.58 -0.04 -0.31 0.00 0.00 0.00 174.94 175.18 2kjc s TYR 80 N -0.60 3.00 0.10 3.97 1.51 -1.24 -3.22 117.35 120.88 2kjc s TYR 80 Ca 0.09 0.07 -0.03 0.00 -1.01 0.00 0.00 57.07 56.18 2kjc s TYR 80 Cb -0.12 -1.71 0.01 0.00 -0.11 0.00 0.00 41.96 40.03 2kjc s TYR 80 CO 0.02 0.39 0.20 -1.13 -1.11 0.00 0.00 175.55 173.91 2kjc n SER 81 N 2.04 -0.58 -3.71 2.29 3.41 -1.18 -4.01 113.62 111.89 2kjc n SER 81 Ca -0.17 -1.44 0.00 0.00 -0.26 0.00 0.00 58.87 57.00 2kjc n SER 81 Cb 0.53 0.97 0.00 0.00 -0.26 0.00 0.00 64.21 65.45 2kjc n SER 81 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2kjc n LEU 82 N 0.00 0.00 0.00 1.04 4.77 -1.26 -3.90 117.00 117.65 2kjc n LEU 82 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2kjc n LEU 82 Cb 0.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.25 2kjc n LEU 82 CO 0.07 -0.01 0.00 0.47 -1.33 0.00 0.00 177.39 176.59 2kjc n ASP 83 N 0.00 0.00 -3.49 -1.43 8.00 -1.26 -4.15 116.55 114.22 2kjc n ASP 83 Ca 0.00 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.39 2kjc n ASP 83 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 2kjc n ASP 83 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2kjc s ASP 84 N -0.65 -0.45 0.00 -2.24 -1.08 -1.26 -5.01 116.67 105.98 2kjc s ASP 84 Ca 0.00 0.10 0.00 0.00 -0.52 0.00 0.00 52.55 52.13 2kjc s ASP 84 Cb 0.00 0.46 0.00 0.00 -1.46 0.00 0.00 42.92 41.92 2kjc s ASP 84 CO 0.00 -0.70 0.85 2.30 0.52 0.00 0.00 175.17 178.15 2kjc n ILE 85 N -0.09 0.00 0.00 4.11 -5.35 -1.26 -4.11 119.36 112.66 2kjc n ILE 85 Ca -0.12 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.36 2kjc n ILE 85 Cb 0.62 -0.12 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 2kjc n ILE 85 CO 0.00 0.00 0.00 1.41 -1.76 0.00 0.00 176.55 176.20 2kjc n HIS 86 N -0.39 0.00 0.02 4.28 8.25 -1.26 -3.75 115.22 122.36 2kjc n HIS 86 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2kjc n HIS 86 Cb 0.05 -0.25 0.02 0.00 1.12 0.00 0.00 29.99 30.93 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 -1.25 0.78 0.39 1.59 0.24 -1.26 -1.85 118.33 116.99 2kjc n VAL 87 Ca 0.00 0.52 -0.15 0.00 -2.04 0.00 0.00 64.34 62.67 2kjc n VAL 87 Cb 0.00 -1.52 -0.07 0.00 -1.47 0.00 0.00 33.84 30.77 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 0.82 -1.19 0.00 2.33 0.00 -1.76 -2.30 119.26 117.16 2kjc h ALA 88 Ca 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2kjc h ALA 88 Cb 0.62 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2kjc h ALA 88 CO 0.00 -1.12 -0.31 0.00 0.00 0.00 0.00 179.25 177.82 2kjc h THR 89 N -1.06 1.15 -0.94 0.00 1.03 -1.53 -2.69 112.91 108.86 2kjc h THR 89 Ca -0.10 -1.11 0.06 0.00 -0.01 0.00 0.00 66.41 65.26 2kjc h THR 89 Cb 0.77 1.61 -0.06 0.00 -1.07 0.00 0.00 68.15 69.39 2kjc h THR 89 CO 0.17 0.31 0.60 -0.03 -0.01 0.00 0.00 175.52 176.55 2kjc h MET 90 N 0.00 1.06 -0.20 0.00 -1.53 -1.50 0.15 114.93 112.91 2kjc h MET 90 Ca -0.00 -0.06 -0.00 0.00 -3.44 0.00 0.00 59.70 56.19 2kjc h MET 90 Cb 0.58 -0.24 -0.01 0.00 -0.55 0.00 0.00 31.60 31.39 2kjc h MET 90 CO 0.04 0.70 0.12 1.25 0.14 0.00 0.00 176.91 179.16 2kjc h LEU 91 N 1.09 0.24 0.64 3.39 5.85 -1.06 -2.91 115.31 122.56 2kjc h LEU 91 Ca 0.41 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 59.03 2kjc h LEU 91 Cb 0.16 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.14 2kjc h LEU 91 CO -0.17 0.24 -0.31 0.11 -0.34 0.00 0.00 178.44 177.97 2kjc h LYS 92 N 0.23 -0.83 -1.51 1.25 1.79 -1.38 -2.91 116.57 113.21 2kjc h LYS 92 Ca 0.07 0.06 0.49 0.00 -2.18 0.00 0.00 60.65 59.09 2kjc h LYS 92 Cb 0.04 0.19 -0.12 0.00 -1.58 0.00 0.00 32.23 30.76 2kjc h LYS 92 CO -0.01 -0.52 1.00 0.37 -1.08 0.00 0.00 179.45 179.21 2kjc h GLN 93 N -1.01 0.02 -0.19 3.15 5.75 -0.71 0.87 115.11 123.00 2kjc h GLN 93 Ca -0.09 -0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.38 2kjc h GLN 93 Cb 0.70 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.24 2kjc h GLN 93 CO 0.15 0.01 -0.01 0.00 -2.65 0.00 0.00 178.83 176.33 2kjc h ALA 94 N 1.47 0.26 0.00 3.38 0.00 -1.31 -2.23 119.26 120.83 2kjc h ALA 94 Ca 0.88 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.58 2kjc h ALA 94 Cb 3.00 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 20.71 2kjc h ALA 94 CO -0.35 -0.01 0.00 -0.89 0.00 0.00 0.00 179.25 178.00 2kjc n ILE 95 N -4.69 0.81 0.06 0.00 2.08 0.29 -2.50 119.36 115.40 2kjc n ILE 95 Ca -0.05 0.19 -0.05 0.00 0.56 0.00 0.00 62.75 63.40 2kjc n ILE 95 Cb 0.24 -1.12 -0.03 0.00 -0.75 0.00 0.00 39.64 37.98 2kjc n ILE 95 CO 0.00 0.00 0.00 -0.74 0.56 0.00 0.00 176.55 176.37 2kjc h HIS 96 N 0.00 -0.23 0.00 1.39 2.76 -0.46 -3.18 115.15 115.43 2kjc h HIS 96 Ca 0.00 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.16 2kjc h HIS 96 Cb 0.39 0.08 -0.00 0.00 1.55 0.00 0.00 27.41 29.43 2kjc h HIS 96 CO 0.00 -0.06 -0.02 1.25 -1.30 0.00 0.00 177.93 177.79 2kjc h HIS 97 N -1.05 0.00 -0.72 5.26 -0.00 -1.45 -1.63 115.15 115.56 2kjc h HIS 97 Ca -0.03 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.29 2kjc h HIS 97 Cb 0.28 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.66 2kjc h HIS 97 CO 0.02 0.02 0.22 0.00 -0.00 0.00 0.00 177.93 178.19 2kjc h ALA 98 N 1.98 1.02 -3.00 5.26 0.00 -1.53 -3.41 119.26 119.58 2kjc h ALA 98 Ca -0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2kjc h ALA 98 Cb 0.13 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2kjc h ALA 98 CO 0.00 0.66 0.00 0.09 0.00 0.00 0.00 179.25 180.00 2kjc n ASN 99 N -4.25 0.00 -3.55 0.00 5.03 -0.61 -4.86 115.26 107.02 2kjc n ASN 99 Ca 0.06 0.00 -0.24 0.00 0.87 0.00 0.00 54.58 55.26 2kjc n ASN 99 Cb 0.23 0.00 0.04 0.00 -1.02 0.00 0.00 39.78 39.03 2kjc n ASN 99 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 2kjc n HIS 100 N 0.00 -2.14 0.03 3.10 8.25 -1.26 -4.92 115.22 118.27 2kjc n HIS 100 Ca 0.00 0.64 -0.19 0.00 -0.26 0.00 0.00 57.72 57.91 2kjc n HIS 100 Cb 0.00 -3.55 -0.12 0.00 1.12 0.00 0.00 29.99 27.43 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 -1.30 0.39 -5.06 -0.41 0.13 -1.96 -3.50 132.00 120.29 2kjc h PRO 101 Ca -0.56 -0.51 0.00 0.00 -0.87 0.00 0.00 66.00 64.06 2kjc h PRO 101 Cb 1.31 0.16 -0.05 0.00 0.13 0.00 0.00 31.00 32.55 2kjc h PRO 101 CO 0.44 1.18 -0.86 1.63 -0.23 0.00 0.00 178.00 180.16 2kjc n LYS 102 N -4.14 -3.35 0.00 0.86 4.76 -1.26 -5.30 118.16 109.72 2kjc n LYS 102 Ca -0.12 2.54 0.06 0.00 -2.87 0.00 0.00 58.31 57.92 2kjc n LYS 102 Cb 0.76 -3.36 0.33 0.00 -1.84 0.00 0.00 35.03 30.92 2kjc n LYS 102 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42