#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 1.62 0.00 5.53 1.35 -2.05 -3.03 112.91 116.32 2kjc h THR 10 Ca 0.00 -3.07 0.00 0.00 -0.55 0.00 0.00 66.41 62.79 2kjc h THR 10 Cb 0.00 2.70 0.00 0.00 -1.73 0.00 0.00 68.15 69.12 2kjc h THR 10 CO 0.00 0.88 -0.09 0.44 -0.25 0.00 0.00 175.52 176.51 2kjc h ASP 11 N 0.03 0.00 0.05 5.36 3.32 -2.06 -3.18 116.42 119.94 2kjc h ASP 11 Ca -0.03 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.01 2kjc h ASP 11 Cb 1.66 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.21 2kjc h ASP 11 CO 0.13 0.00 -0.02 0.74 -1.72 0.00 0.00 179.24 178.37 2kjc h THR 12 N 0.00 0.00 -0.31 0.35 2.02 -1.99 -3.04 112.91 109.94 2kjc h THR 12 Ca 0.00 -0.25 0.09 0.00 0.77 0.00 0.00 66.41 67.02 2kjc h THR 12 Cb 0.92 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 2kjc h THR 12 CO 0.00 0.00 0.55 -0.07 0.37 0.00 0.00 175.52 176.37 2kjc h LEU 13 N -0.32 0.00 0.42 2.58 4.07 -1.69 0.13 115.31 120.50 2kjc h LEU 13 Ca -0.01 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 2kjc h LEU 13 Cb 0.05 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.80 2kjc h LEU 13 CO 0.01 0.00 -0.20 -0.08 -1.08 0.00 0.00 178.44 177.09 2kjc h GLU 14 N 0.00 -0.54 -0.23 1.13 4.57 -1.60 -3.06 114.58 114.84 2kjc h GLU 14 Ca 0.15 0.04 -0.04 0.00 -1.18 0.00 0.00 59.36 58.32 2kjc h GLU 14 Cb 1.24 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 29.94 2kjc h GLU 14 CO -0.00 -0.24 -0.02 -0.09 -1.18 0.00 0.00 179.01 177.48 2kjc h ARG 15 N -0.85 0.42 0.00 1.92 2.43 -0.70 -2.57 114.38 115.04 2kjc h ARG 15 Ca -0.06 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 2kjc h ARG 15 Cb 0.55 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 2kjc h ARG 15 CO 0.09 0.62 0.42 0.28 -1.51 0.00 0.00 179.97 179.87 2kjc h VAL 16 N 0.18 0.00 0.03 0.20 2.07 -1.12 0.96 116.25 118.57 2kjc h VAL 16 Ca 0.06 0.00 -0.32 0.00 0.82 0.00 0.00 66.70 67.26 2kjc h VAL 16 Cb 0.44 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 2kjc h VAL 16 CO 0.02 0.00 -1.89 0.41 0.02 0.00 0.00 177.57 176.12 2kjc n THR 17 N -2.22 1.63 0.20 2.57 -1.04 -0.98 -4.16 114.28 110.28 2kjc n THR 17 Ca -0.01 -0.76 0.11 0.00 -2.04 0.00 0.00 64.05 61.36 2kjc n THR 17 Cb 0.44 -1.18 0.14 0.00 -1.82 0.00 0.00 70.33 67.90 2kjc n THR 17 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 2kjc h GLU 18 N 0.02 0.00 -0.44 -2.82 5.08 0.94 -3.24 114.58 114.12 2kjc h GLU 18 Ca -0.36 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.01 2kjc h GLU 18 Cb 2.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.26 2kjc h GLU 18 CO 0.07 0.04 0.27 0.97 -1.00 0.00 0.00 179.01 179.37 2kjc h ILE 19 N 0.00 1.07 0.12 3.13 2.10 -1.19 -2.39 117.51 120.35 2kjc h ILE 19 Ca -0.00 -0.19 -0.01 0.00 1.08 0.00 0.00 64.86 65.74 2kjc h ILE 19 Cb 1.04 0.47 0.00 0.00 -1.09 0.00 0.00 36.82 37.24 2kjc h ILE 19 CO 0.01 0.10 -0.06 -0.26 -1.08 0.00 0.00 178.15 176.86 2kjc h PHE 20 N 0.55 -0.15 -1.31 2.19 0.04 -1.77 -3.16 116.94 113.34 2kjc h PHE 20 Ca 0.17 -0.00 0.41 0.00 2.80 0.00 0.00 57.97 61.35 2kjc h PHE 20 Cb -0.02 0.05 -0.11 0.00 2.20 0.00 0.00 35.95 38.06 2kjc h PHE 20 CO -0.06 0.30 0.86 -0.22 -0.60 0.00 0.00 178.31 178.59 2kjc h LYS 21 N -0.67 0.12 0.00 1.51 3.64 -1.56 0.97 116.57 120.59 2kjc h LYS 21 Ca -0.02 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2kjc h LYS 21 Cb 0.51 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2kjc h LYS 21 CO 0.03 0.08 -0.14 0.00 -2.27 0.00 0.00 179.45 177.14 2kjc h ALA 22 N 1.55 1.28 -0.38 5.00 0.00 -1.39 -1.70 119.26 123.62 2kjc h ALA 22 Ca 0.77 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.55 2kjc h ALA 22 Cb 2.45 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 20.21 2kjc h ALA 22 CO -0.34 0.18 0.01 1.28 0.00 0.00 0.00 179.25 180.38 2kjc n LEU 23 N -3.67 4.15 0.08 0.00 4.32 0.34 -4.36 117.00 117.85 2kjc n LEU 23 Ca -0.02 -2.10 -0.10 0.00 -0.02 0.00 0.00 56.01 53.77 2kjc n LEU 23 Cb 0.27 -0.63 -0.07 0.00 -1.62 0.00 0.00 43.42 41.37 2kjc n LEU 23 CO 0.31 0.50 0.36 1.23 -1.22 0.00 0.00 177.39 178.58 2kjc h GLY 24 N 4.33 -0.29 -7.00 -0.72 0.00 -1.32 -3.44 103.07 94.63 2kjc h GLY 24 Ca 0.01 0.11 -0.70 0.00 0.00 0.00 0.00 47.33 46.74 2kjc h GLY 24 CO 0.33 -0.10 1.39 1.22 0.00 0.00 0.00 176.54 179.38 2kjc n ASP 25 N -4.96 1.57 -0.31 0.19 8.00 -1.26 -4.78 116.55 115.00 2kjc n ASP 25 Ca -0.07 0.49 0.11 0.00 0.71 0.00 0.00 54.79 56.03 2kjc n ASP 25 Cb 0.25 -1.12 0.28 0.00 -0.02 0.00 0.00 41.12 40.51 2kjc n ASP 25 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2kjc h TYR 26 N 11.20 0.76 -0.02 1.24 -1.99 -1.98 0.10 116.97 126.29 2kjc h TYR 26 Ca -0.20 0.04 -0.07 0.00 2.00 0.00 0.00 58.73 60.49 2kjc h TYR 26 Cb 1.36 -0.20 -0.01 0.00 2.00 0.00 0.00 36.73 39.88 2kjc h TYR 26 CO 0.97 0.08 -0.34 -2.95 -0.00 0.00 0.00 178.16 175.91 2kjc h ASN 27 N 0.53 0.03 -0.13 3.88 7.08 -1.97 -2.91 115.58 122.09 2kjc h ASN 27 Ca 0.53 -0.01 -0.11 0.00 -3.08 0.00 0.00 56.30 53.63 2kjc h ASN 27 Cb 0.89 -0.01 0.00 0.00 -2.08 0.00 0.00 38.32 37.13 2kjc h ASN 27 CO -0.44 0.37 -0.34 -0.09 -2.08 0.00 0.00 177.43 174.85 2kjc h ARG 28 N 0.03 0.46 0.00 4.14 2.43 -1.17 -3.13 114.38 117.14 2kjc h ARG 28 Ca 0.00 -0.32 -0.03 0.00 -0.81 0.00 0.00 59.98 58.82 2kjc h ARG 28 Cb 0.62 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2kjc h ARG 28 CO 0.05 0.93 -0.15 -0.84 -1.51 0.00 0.00 179.97 178.45 2kjc h ILE 29 N 0.06 0.51 0.00 1.20 3.07 -1.41 -2.33 117.51 118.62 2kjc h ILE 29 Ca -0.00 -0.75 -0.09 0.00 1.55 0.00 0.00 64.86 65.57 2kjc h ILE 29 Cb 0.95 1.51 -0.01 0.00 -0.27 0.00 0.00 36.82 38.99 2kjc h ILE 29 CO 0.07 0.15 -0.41 -0.09 -1.05 0.00 0.00 178.15 176.82 2kjc h ARG 30 N 0.00 0.00 0.25 0.16 2.43 -1.46 -3.14 114.38 112.63 2kjc h ARG 30 Ca -0.00 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2kjc h ARG 30 Cb 0.49 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2kjc h ARG 30 CO 0.02 0.41 -0.12 0.82 -1.51 0.00 0.00 179.97 179.59 2kjc h ILE 31 N 0.00 0.00 -1.02 1.20 1.08 -1.42 -3.10 117.51 114.25 2kjc h ILE 31 Ca -0.00 -0.10 0.34 0.00 -0.39 0.00 0.00 64.86 64.71 2kjc h ILE 31 Cb 0.76 0.00 -0.15 0.00 -3.07 0.00 0.00 36.82 34.36 2kjc h ILE 31 CO 0.05 0.00 0.58 0.00 -0.69 0.00 0.00 178.15 178.10 2kjc h MET 32 N -0.45 0.25 -0.42 2.37 -0.00 -1.64 0.41 114.93 115.44 2kjc h MET 32 Ca -0.03 -0.02 0.08 0.00 -0.00 0.00 0.00 59.70 59.73 2kjc h MET 32 Cb 0.26 -0.06 -0.07 0.00 -0.00 0.00 0.00 31.60 31.74 2kjc h MET 32 CO 0.06 0.17 0.02 1.49 -0.00 0.00 0.00 176.91 178.64 2kjc h GLU 33 N 0.26 0.12 -0.21 -0.10 4.81 -1.54 -1.39 114.58 116.54 2kjc h GLU 33 Ca 0.76 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 60.01 2kjc h GLU 33 Cb 1.82 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 31.15 2kjc h GLU 33 CO -0.62 0.08 0.03 1.25 -0.73 0.00 0.00 179.01 179.03 2kjc h LEU 34 N 0.13 -0.01 0.00 1.64 5.85 -0.12 0.11 115.31 122.92 2kjc h LEU 34 Ca 0.21 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.97 2kjc h LEU 34 Cb 0.30 0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.38 2kjc h LEU 34 CO -0.34 0.02 0.00 0.18 -0.34 0.00 0.00 178.44 177.97 2kjc n LEU 35 N -5.10 0.00 0.10 2.25 4.32 -0.75 -2.13 117.00 115.69 2kjc n LEU 35 Ca -0.02 0.40 -0.05 0.00 -0.02 0.00 0.00 56.01 56.32 2kjc n LEU 35 Cb 0.10 -0.40 -0.02 0.00 -1.62 0.00 0.00 43.42 41.47 2kjc n LEU 35 CO 0.28 -0.34 0.15 0.77 -1.22 0.00 0.00 177.39 177.03 2kjc h SER 36 N 0.00 -0.27 -0.70 -1.43 4.64 0.29 -3.32 113.55 112.75 2kjc h SER 36 Ca 0.00 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.28 2kjc h SER 36 Cb 0.06 0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.20 2kjc h SER 36 CO 0.00 0.10 0.23 0.58 -0.87 0.00 0.00 176.83 176.88 2kjc h VAL 37 N -0.92 1.25 -2.05 0.95 2.07 -1.50 -3.44 116.25 112.61 2kjc h VAL 37 Ca -0.03 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 2kjc h VAL 37 Cb 0.25 0.49 -0.21 0.00 -1.52 0.00 0.00 31.29 30.30 2kjc h VAL 37 CO 0.05 0.33 0.04 -0.44 0.02 0.00 0.00 177.57 177.58 2kjc s SER 38 N -6.31 -0.83 1.02 0.57 0.01 -0.91 -5.16 113.70 102.10 2kjc s SER 38 Ca -0.12 1.44 -0.16 0.00 1.31 0.00 0.00 55.95 58.42 2kjc s SER 38 Cb 0.14 1.38 0.12 0.00 0.21 0.00 0.00 66.02 67.87 2kjc s SER 38 CO 0.83 -0.24 0.06 -0.62 0.41 0.00 0.00 173.24 173.68 2kjc n GLU 39 N 3.58 -1.83 -3.66 12.44 4.71 -1.25 -3.57 120.64 131.05 2kjc n GLU 39 Ca -0.17 -0.54 -0.12 0.00 -0.01 0.00 0.00 57.16 56.32 2kjc n GLU 39 Cb 0.57 -1.47 -0.08 0.00 -1.01 0.00 0.00 31.44 29.45 2kjc n GLU 39 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kjc s ALA 40 N -2.11 -1.56 0.77 0.62 0.00 -1.26 -4.77 121.76 113.45 2kjc s ALA 40 Ca 0.40 1.86 0.00 0.00 0.00 0.00 0.00 51.96 54.22 2kjc s ALA 40 Cb -0.06 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 21.98 2kjc s ALA 40 CO 0.44 -0.31 0.00 -1.13 0.00 0.00 0.00 175.76 174.76 2kjc n SER 41 N 3.15 0.00 -0.03 0.00 3.41 -1.26 -4.30 113.62 114.59 2kjc n SER 41 Ca -0.16 -0.25 -0.00 0.00 -0.26 0.00 0.00 58.87 58.20 2kjc n SER 41 Cb 0.56 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.51 2kjc n SER 41 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2kjc h VAL 42 N -0.19 0.00 -0.42 -3.33 2.07 -1.98 -3.35 116.25 109.05 2kjc h VAL 42 Ca 0.00 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 2kjc h VAL 42 Cb 0.00 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.75 2kjc h VAL 42 CO 0.00 0.00 0.13 1.23 0.02 0.00 0.00 177.57 178.95 2kjc h GLY 43 N -0.53 0.70 -0.11 2.17 0.00 -1.97 -2.81 103.07 100.52 2kjc h GLY 43 Ca 0.00 -0.41 0.27 0.00 0.00 0.00 0.00 47.33 47.19 2kjc h GLY 43 CO 0.00 0.39 0.79 0.84 0.00 0.00 0.00 176.54 178.56 2kjc h HIS 44 N 0.53 0.00 -0.01 5.60 6.17 -1.97 0.43 115.15 125.90 2kjc h HIS 44 Ca 0.14 0.00 -0.21 0.00 0.71 0.00 0.00 60.37 61.00 2kjc h HIS 44 Cb 0.26 0.00 -0.00 0.00 2.52 0.00 0.00 27.41 30.19 2kjc h HIS 44 CO 0.01 0.00 -0.89 0.82 0.71 0.00 0.00 177.93 178.58 2kjc h ILE 45 N 0.00 1.43 -1.04 6.26 2.04 -1.63 -3.26 117.51 121.31 2kjc h ILE 45 Ca 0.45 -2.47 0.34 0.00 1.00 0.00 0.00 64.86 64.18 2kjc h ILE 45 Cb 2.03 2.40 -0.14 0.00 -0.74 0.00 0.00 36.82 40.36 2kjc h ILE 45 CO -0.00 0.73 0.61 -1.28 0.00 0.00 0.00 178.15 178.20 2kjc h SER 46 N 0.19 0.47 1.54 1.72 0.87 -0.21 1.63 113.55 119.76 2kjc h SER 46 Ca -0.06 0.18 0.00 0.00 -1.23 0.00 0.00 61.79 60.68 2kjc h SER 46 Cb 1.52 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.61 2kjc h SER 46 CO 0.15 -0.15 0.00 0.45 -0.53 0.00 0.00 176.83 176.75 2kjc h HIS 47 N 0.28 0.00 0.08 2.24 3.86 -1.66 0.16 115.15 120.12 2kjc h HIS 47 Ca 0.74 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.95 2kjc h HIS 47 Cb 1.81 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.28 2kjc h HIS 47 CO -0.01 0.00 -0.04 1.96 0.86 0.00 0.00 177.93 180.70 2kjc h GLN 48 N 0.00 -0.11 -0.00 2.45 1.08 0.22 -3.34 115.11 115.41 2kjc h GLN 48 Ca 0.00 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2kjc h GLN 48 Cb 0.77 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 28.23 2kjc h GLN 48 CO 0.00 0.16 -0.25 1.28 -0.95 0.00 0.00 178.83 179.07 2kjc n LEU 49 N -4.82 0.52 -3.18 1.46 4.77 -0.75 -4.99 117.00 110.00 2kjc n LEU 49 Ca -0.04 0.03 -0.22 0.00 -0.03 0.00 0.00 56.01 55.75 2kjc n LEU 49 Cb 0.16 -0.24 0.02 0.00 -2.33 0.00 0.00 43.42 41.03 2kjc n LEU 49 CO 0.12 0.11 -0.09 0.59 -1.33 0.00 0.00 177.39 176.79 2kjc n ASN 50 N -1.15 -6.76 0.00 -1.43 3.02 0.54 -4.98 115.26 104.49 2kjc n ASN 50 Ca 0.10 0.15 0.00 0.00 -0.03 0.00 0.00 54.58 54.80 2kjc n ASN 50 Cb 0.32 -3.61 0.00 0.00 -0.61 0.00 0.00 39.78 35.88 2kjc n ASN 50 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 2kjc n LEU 51 N -0.39 0.00 -4.86 3.41 7.94 -1.13 -5.05 117.00 116.92 2kjc n LEU 51 Ca 0.01 0.00 -0.31 0.00 -1.11 0.00 0.00 56.01 54.60 2kjc n LEU 51 Cb 0.57 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.48 2kjc n LEU 51 CO 0.52 0.00 0.50 -0.94 -1.11 0.00 0.00 177.39 176.36 2kjc s SER 52 N 2.00 6.62 0.28 1.96 1.04 -1.26 -4.83 113.70 119.52 2kjc s SER 52 Ca 0.00 1.29 0.24 0.00 0.48 0.00 0.00 55.95 57.96 2kjc s SER 52 Cb 0.00 -2.38 0.48 0.00 0.10 0.00 0.00 66.02 64.21 2kjc s SER 52 CO 0.00 -0.39 1.57 0.06 0.98 0.00 0.00 173.24 175.46 2kjc h GLN 53 N 1.46 0.00 0.00 4.02 -0.00 -1.95 -3.23 115.11 115.41 2kjc h GLN 53 Ca -0.47 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.08 2kjc h GLN 53 Cb 1.18 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 28.65 2kjc h GLN 53 CO 0.64 0.00 -0.46 0.66 -0.00 0.00 0.00 178.83 179.66 2kjc h SER 54 N 0.00 0.00 -0.51 0.06 4.64 -1.95 -2.89 113.55 112.89 2kjc h SER 54 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2kjc h SER 54 Cb 0.87 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.93 2kjc h SER 54 CO 0.00 0.46 0.25 -1.13 -0.87 0.00 0.00 176.83 175.54 2kjc h ASN 55 N 0.00 0.66 0.60 4.97 -1.24 -1.97 -2.81 115.58 115.80 2kjc h ASN 55 Ca -0.00 -0.13 -0.22 0.00 0.71 0.00 0.00 56.30 56.66 2kjc h ASN 55 Cb 1.18 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 40.05 2kjc h ASN 55 CO 0.06 0.60 -0.96 -0.37 -1.29 0.00 0.00 177.43 175.47 2kjc h VAL 56 N 0.68 1.51 -0.74 2.57 -1.51 -1.73 -3.17 116.25 113.86 2kjc h VAL 56 Ca 0.18 -2.76 0.15 0.00 -1.23 0.00 0.00 66.70 63.04 2kjc h VAL 56 Cb 0.11 2.58 -0.05 0.00 -2.13 0.00 0.00 31.29 31.81 2kjc h VAL 56 CO -0.02 0.80 0.50 0.77 -1.23 0.00 0.00 177.57 178.39 2kjc h SER 57 N 0.11 0.35 0.11 4.19 4.64 -1.29 -1.93 113.55 119.72 2kjc h SER 57 Ca -0.06 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.27 2kjc h SER 57 Cb 1.62 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.67 2kjc h SER 57 CO 0.15 0.18 -0.05 0.45 -0.87 0.00 0.00 176.83 176.69 2kjc h HIS 58 N 0.37 -0.14 -0.92 4.77 -0.00 -1.48 -2.86 115.15 114.90 2kjc h HIS 58 Ca 0.36 -0.00 0.24 0.00 -0.00 0.00 0.00 60.37 60.97 2kjc h HIS 58 Cb 0.88 0.05 -0.13 0.00 -0.00 0.00 0.00 27.41 28.20 2kjc h HIS 58 CO -0.00 0.35 0.41 1.96 -0.00 0.00 0.00 177.93 180.65 2kjc h GLN 59 N -0.89 0.37 0.00 2.45 7.50 -1.43 1.25 115.11 124.37 2kjc h GLN 59 Ca -0.02 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.11 2kjc h GLN 59 Cb 0.55 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 27.99 2kjc h GLN 59 CO 0.02 0.24 0.00 -0.07 -1.50 0.00 0.00 178.83 177.53 2kjc h LEU 60 N 0.38 0.00 -0.34 1.46 3.38 -1.44 -3.03 115.31 115.72 2kjc h LEU 60 Ca 0.59 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.45 2kjc h LEU 60 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 2kjc h LEU 60 CO -0.55 0.00 -0.21 0.50 0.09 0.00 0.00 178.44 178.27 2kjc h LYS 61 N 0.00 0.75 0.47 1.13 3.64 0.18 -2.72 116.57 120.03 2kjc h LYS 61 Ca 0.00 -0.35 -0.02 0.00 -1.27 0.00 0.00 60.65 59.01 2kjc h LYS 61 Cb 0.63 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 2kjc h LYS 61 CO 0.00 0.96 -0.23 1.25 -2.27 0.00 0.00 179.45 179.17 2kjc h LEU 62 N 0.53 -0.54 -1.54 5.20 6.46 -1.33 -2.49 115.31 121.59 2kjc h LEU 62 Ca 0.07 -0.03 0.28 0.00 -0.12 0.00 0.00 57.88 58.08 2kjc h LEU 62 Cb 0.77 0.14 -0.08 0.00 -0.73 0.00 0.00 40.66 40.76 2kjc h LEU 62 CO 0.06 -0.32 0.70 -0.07 -0.62 0.00 0.00 178.44 178.20 2kjc h LEU 63 N -0.73 0.32 -1.55 2.25 3.38 -1.58 0.61 115.31 118.01 2kjc h LEU 63 Ca -0.07 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2kjc h LEU 63 Cb 0.53 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 2kjc h LEU 63 CO 0.11 0.06 0.35 0.50 0.09 0.00 0.00 178.44 179.55 2kjc h LYS 64 N 0.28 0.58 0.09 1.13 3.64 -1.11 0.23 116.57 121.40 2kjc h LYS 64 Ca 0.57 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.92 2kjc h LYS 64 Cb 1.68 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.37 2kjc h LYS 64 CO -0.21 0.38 -0.04 1.03 -2.27 0.00 0.00 179.45 178.34 2kjc h SER 65 N 0.59 -0.10 0.36 4.20 0.87 0.27 -2.98 113.55 116.77 2kjc h SER 65 Ca 0.21 -0.46 0.00 0.00 -1.23 0.00 0.00 61.79 60.31 2kjc h SER 65 Cb 0.10 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 2kjc h SER 65 CO -0.05 0.45 0.00 0.52 -0.53 0.00 0.00 176.83 177.21 2kjc n VAL 66 N -4.88 1.25 -0.99 2.23 0.31 -1.01 -4.81 118.33 110.42 2kjc n VAL 66 Ca -0.08 0.31 -0.00 0.00 -0.01 0.00 0.00 64.34 64.56 2kjc n VAL 66 Cb 0.28 -1.13 -0.00 0.00 -0.91 0.00 0.00 33.84 32.08 2kjc n VAL 66 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 2kjc n HIS 67 N -1.49 -0.00 0.24 3.52 -0.00 0.77 -4.75 115.22 113.50 2kjc n HIS 67 Ca 0.03 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.81 2kjc n HIS 67 Cb 0.12 -1.99 0.33 0.00 -0.00 0.00 0.00 29.99 28.45 2kjc n HIS 67 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2kjc h LEU 68 N 0.00 0.00 0.00 2.41 5.85 -1.83 -3.41 115.31 118.33 2kjc h LEU 68 Ca -0.00 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.44 2kjc h LEU 68 Cb 0.99 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 41.96 2kjc h LEU 68 CO 0.00 0.00 -0.16 1.33 -0.34 0.00 0.00 178.44 179.27 2kjc n VAL 69 N -2.27 0.00 -4.44 1.05 0.24 -1.26 -4.86 118.33 106.78 2kjc n VAL 69 Ca -0.01 -1.70 -0.22 0.00 -2.04 0.00 0.00 64.34 60.36 2kjc n VAL 69 Cb 0.55 1.03 -0.09 0.00 -1.47 0.00 0.00 33.84 33.85 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 -2.78 1.73 0.13 7.34 1.02 -1.26 -4.88 119.74 121.04 2kjc s LYS 70 Ca 0.28 -2.01 -0.20 0.00 0.02 0.00 0.00 55.97 54.07 2kjc s LYS 70 Cb -0.01 -0.57 0.05 0.00 -0.52 0.00 0.00 37.83 36.78 2kjc s LYS 70 CO 0.20 -0.36 0.49 0.00 -0.92 0.00 0.00 175.35 174.76 2kjc s ALA 71 N -3.36 -1.24 0.02 5.17 0.00 -1.26 -3.87 121.76 117.22 2kjc s ALA 71 Ca 0.31 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.53 2kjc s ALA 71 Cb 0.05 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.89 2kjc s ALA 71 CO 0.15 -0.68 -0.06 0.21 0.00 0.00 0.00 175.76 175.39 2kjc s LYS 72 N -3.61 0.42 -0.05 0.00 2.47 -1.20 -5.05 119.74 112.71 2kjc s LYS 72 Ca 0.01 -0.55 -0.19 0.00 -1.56 0.00 0.00 55.97 53.69 2kjc s LYS 72 Cb 0.00 -0.22 -0.05 0.00 -1.46 0.00 0.00 37.83 36.11 2kjc s LYS 72 CO -0.11 0.04 0.51 1.03 0.16 0.00 0.00 175.35 176.98 2kjc s ARG 73 N -1.12 4.26 -0.27 4.03 0.52 -1.26 -3.17 118.95 121.94 2kjc s ARG 73 Ca -0.08 0.56 -0.00 0.00 -0.52 0.00 0.00 55.73 55.69 2kjc s ARG 73 Cb -0.07 -3.36 0.14 0.00 0.52 0.00 0.00 34.95 32.17 2kjc s ARG 73 CO -0.00 0.33 0.34 -1.14 0.02 0.00 0.00 175.30 174.85 2kjc s GLN 74 N 0.02 0.35 1.90 3.54 0.74 -1.14 -4.99 119.66 120.08 2kjc s GLN 74 Ca 0.28 0.09 0.00 0.00 0.05 0.00 0.00 55.36 55.78 2kjc s GLN 74 Cb -0.17 -0.56 0.00 0.00 1.10 0.00 0.00 33.01 33.39 2kjc s GLN 74 CO 0.14 -0.93 0.00 0.41 -0.55 0.00 0.00 175.29 174.35 2kjc n GLY 75 N 5.33 -1.03 0.25 2.59 0.00 -1.26 -3.11 105.19 107.96 2kjc n GLY 75 Ca -0.02 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.84 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 -0.55 0.64 -5.23 1.61 6.02 -1.26 -4.65 117.38 113.95 2kjc n GLN 76 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 2kjc n GLN 76 Cb 0.00 -1.16 -0.16 0.00 1.02 0.00 0.00 30.24 29.94 2kjc n GLN 76 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2kjc s SER 77 N -0.87 2.97 -0.57 1.08 0.15 -1.18 -5.10 113.70 110.19 2kjc s SER 77 Ca 0.00 -0.49 -0.17 0.00 0.70 0.00 0.00 55.95 55.99 2kjc s SER 77 Cb 0.00 -0.73 0.12 0.00 -1.71 0.00 0.00 66.02 63.70 2kjc s SER 77 CO 0.00 0.25 0.59 -0.32 1.20 0.00 0.00 173.24 174.96 2kjc s MET 78 N -0.22 3.03 0.45 5.44 1.75 -1.26 -2.91 119.30 125.58 2kjc s MET 78 Ca -0.01 -1.59 -0.17 0.00 -1.25 0.00 0.00 55.69 52.67 2kjc s MET 78 Cb -0.13 -4.30 -0.09 0.00 2.84 0.00 0.00 34.83 33.16 2kjc s MET 78 CO 0.03 -1.41 0.92 0.42 -0.65 0.00 0.00 175.02 174.32 2kjc s ILE 79 N 1.98 4.54 0.06 10.11 -1.09 -1.19 -4.70 121.20 130.90 2kjc s ILE 79 Ca 0.07 1.20 0.04 0.00 -2.23 0.00 0.00 60.65 59.73 2kjc s ILE 79 Cb -0.27 -3.67 -0.03 0.00 -1.58 0.00 0.00 42.46 36.92 2kjc s ILE 79 CO 0.04 -0.48 -0.11 -0.31 -1.23 0.00 0.00 174.94 172.84 2kjc s TYR 80 N -2.36 0.95 0.05 3.97 1.51 -1.26 -3.27 117.35 116.94 2kjc s TYR 80 Ca 0.58 -0.47 -0.02 0.00 -1.01 0.00 0.00 57.07 56.16 2kjc s TYR 80 Cb -0.10 -0.55 0.01 0.00 -0.11 0.00 0.00 41.96 41.21 2kjc s TYR 80 CO 0.23 -0.01 0.11 0.43 -1.11 0.00 0.00 175.55 175.20 2kjc n SER 81 N 1.41 -0.31 -4.29 2.29 7.64 -1.25 -4.15 113.62 114.96 2kjc n SER 81 Ca -0.22 -1.22 -0.28 0.00 1.01 0.00 0.00 58.87 58.16 2kjc n SER 81 Cb 0.54 0.52 0.16 0.00 -1.01 0.00 0.00 64.21 64.43 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 2.79 0.00 -3.43 1.02 -1.26 -4.22 118.68 113.58 2kjc s LEU 82 Ca 0.02 0.06 0.00 0.00 0.02 0.00 0.00 54.13 54.23 2kjc s LEU 82 Cb -0.01 -2.18 0.00 0.00 0.02 0.00 0.00 46.19 44.02 2kjc s LEU 82 CO 0.02 -2.48 0.00 -0.67 0.02 0.00 0.00 176.35 173.23 2kjc n ASP 83 N -3.49 0.00 -0.01 2.29 2.03 -1.26 -4.60 116.55 111.50 2kjc n ASP 83 Ca 0.15 0.00 -0.02 0.00 0.52 0.00 0.00 54.79 55.44 2kjc n ASP 83 Cb 0.60 0.00 -0.01 0.00 -0.72 0.00 0.00 41.12 40.99 2kjc n ASP 83 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kjc n ASP 84 N 0.00 0.67 0.00 1.67 8.00 -1.26 -5.01 116.55 120.62 2kjc n ASP 84 Ca 0.00 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.61 2kjc n ASP 84 Cb 0.00 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.68 2kjc n ASP 84 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kjc n ILE 85 N -3.16 0.00 -0.30 0.53 3.06 -1.26 -4.94 119.36 113.30 2kjc n ILE 85 Ca -0.04 0.00 0.26 0.00 -2.50 0.00 0.00 62.75 60.47 2kjc n ILE 85 Cb 0.13 0.00 0.59 0.00 0.54 0.00 0.00 39.64 40.90 2kjc n ILE 85 CO 0.00 0.00 0.00 0.45 -2.50 0.00 0.00 176.55 174.50 2kjc h HIS 86 N 0.00 0.42 0.07 9.51 3.86 -2.00 0.18 115.15 127.20 2kjc h HIS 86 Ca 0.00 0.01 -0.28 0.00 -1.16 0.00 0.00 60.37 58.94 2kjc h HIS 86 Cb 0.00 -0.12 0.03 0.00 1.06 0.00 0.00 27.41 28.37 2kjc h HIS 86 CO 0.00 0.05 -1.15 -0.39 0.86 0.00 0.00 177.93 177.30 2kjc h VAL 87 N 0.26 1.29 0.79 2.45 -1.51 -1.95 -3.15 116.25 114.42 2kjc h VAL 87 Ca 0.55 -2.37 -0.04 0.00 -1.23 0.00 0.00 66.70 63.62 2kjc h VAL 87 Cb 1.65 2.58 0.00 0.00 -2.13 0.00 0.00 31.29 33.40 2kjc h VAL 87 CO -0.19 0.72 -0.42 0.00 -1.23 0.00 0.00 177.57 176.46 2kjc h ALA 88 N 0.32 -1.27 -1.04 5.19 0.00 -1.05 -2.67 119.26 118.74 2kjc h ALA 88 Ca -0.17 -0.24 0.28 0.00 0.00 0.00 0.00 54.91 54.78 2kjc h ALA 88 Cb 1.82 0.49 -0.12 0.00 0.00 0.00 0.00 17.79 19.99 2kjc h ALA 88 CO 0.22 -1.21 0.64 1.15 0.00 0.00 0.00 179.25 180.05 2kjc h THR 89 N -1.11 0.48 -0.80 0.00 2.02 -1.41 0.24 112.91 112.33 2kjc h THR 89 Ca -0.11 -0.15 0.09 0.00 0.77 0.00 0.00 66.41 67.01 2kjc h THR 89 Cb 0.87 -0.01 -0.07 0.00 -1.74 0.00 0.00 68.15 67.20 2kjc h THR 89 CO 0.15 0.08 0.46 -0.03 0.37 0.00 0.00 175.52 176.55 2kjc h MET 90 N 0.45 0.76 0.13 6.66 4.05 -1.43 0.28 114.93 125.83 2kjc h MET 90 Ca 0.65 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 60.02 2kjc h MET 90 Cb 1.48 -0.17 0.00 0.00 -0.80 0.00 0.00 31.60 32.11 2kjc h MET 90 CO -0.42 0.50 -0.06 1.25 0.23 0.00 0.00 176.91 178.42 2kjc h LEU 91 N 0.78 -0.15 0.85 3.39 5.85 -0.32 -2.90 115.31 122.81 2kjc h LEU 91 Ca 0.38 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 59.03 2kjc h LEU 91 Cb 0.32 0.04 0.01 0.00 0.37 0.00 0.00 40.66 41.40 2kjc h LEU 91 CO -0.23 -0.07 -0.41 0.50 -0.34 0.00 0.00 178.44 177.89 2kjc h LYS 92 N -0.21 -1.10 -1.65 1.25 3.64 -1.28 -2.85 116.57 114.38 2kjc h LYS 92 Ca -0.02 0.07 0.52 0.00 -1.27 0.00 0.00 60.65 59.96 2kjc h LYS 92 Cb 0.16 0.25 -0.11 0.00 -0.41 0.00 0.00 32.23 32.12 2kjc h LYS 92 CO 0.03 -0.73 1.13 0.94 -2.27 0.00 0.00 179.45 178.55 2kjc n GLN 93 N -5.15 -0.02 0.11 1.90 7.27 0.04 -1.36 117.38 120.18 2kjc n GLN 93 Ca -0.14 1.16 -0.05 0.00 0.07 0.00 0.00 57.00 58.04 2kjc n GLN 93 Cb 0.45 -2.46 -0.02 0.00 2.41 0.00 0.00 30.24 30.62 2kjc n GLN 93 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2kjc h ALA 94 N 1.29 -0.76 0.00 1.69 0.00 -1.28 -2.88 119.26 117.31 2kjc h ALA 94 Ca 0.90 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.75 2kjc h ALA 94 Cb 3.26 0.11 0.00 0.00 0.00 0.00 0.00 17.79 21.17 2kjc h ALA 94 CO -0.24 -0.74 0.20 0.82 0.00 0.00 0.00 179.25 179.28 2kjc h ILE 95 N -0.40 0.00 0.02 0.00 1.08 -1.21 0.76 117.51 117.77 2kjc h ILE 95 Ca -0.03 0.00 -0.26 0.00 -0.39 0.00 0.00 64.86 64.18 2kjc h ILE 95 Cb 0.23 0.39 0.02 0.00 -3.07 0.00 0.00 36.82 34.39 2kjc h ILE 95 CO 0.05 0.00 -1.05 -0.74 -0.69 0.00 0.00 178.15 175.72 2kjc h HIS 96 N 0.00 0.89 0.00 1.37 2.76 -1.21 -3.20 115.15 115.75 2kjc h HIS 96 Ca 0.00 -0.50 -0.00 0.00 -2.20 0.00 0.00 60.37 57.67 2kjc h HIS 96 Cb 0.40 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.26 2kjc h HIS 96 CO 0.00 1.34 -0.11 1.25 -1.30 0.00 0.00 177.93 179.11 2kjc h HIS 97 N 0.32 0.00 0.00 5.26 -0.00 -0.65 -3.37 115.15 116.71 2kjc h HIS 97 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.25 2kjc h HIS 97 Cb 1.70 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.11 2kjc h HIS 97 CO 0.09 0.01 0.00 0.00 -0.00 0.00 0.00 177.93 178.03 2kjc n ALA 98 N -2.11 -0.25 -1.78 5.26 0.00 -0.98 -4.83 120.51 115.82 2kjc n ALA 98 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.13 2kjc n ALA 98 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 2kjc n ALA 98 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2kjc s ASN 99 N -2.40 6.18 -0.48 0.00 -0.87 -1.21 -5.01 114.94 111.15 2kjc s ASN 99 Ca 0.00 1.96 0.06 0.00 -1.57 0.00 0.00 52.86 53.31 2kjc s ASN 99 Cb 0.00 -2.56 0.26 0.00 -0.02 0.00 0.00 41.25 38.93 2kjc s ASN 99 CO 0.00 -0.90 0.96 1.41 -2.57 0.00 0.00 177.10 176.00 2kjc n HIS 100 N -1.12 -3.16 -0.00 2.20 8.25 -1.26 -4.88 115.22 115.24 2kjc n HIS 100 Ca 0.10 -1.82 -0.00 0.00 -0.26 0.00 0.00 57.72 55.73 2kjc n HIS 100 Cb 0.52 1.58 -0.00 0.00 1.12 0.00 0.00 29.99 33.21 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 3.71 -0.00 -5.62 -0.41 0.11 -1.99 -3.47 132.00 124.33 2kjc h PRO 101 Ca -0.14 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.97 2kjc h PRO 101 Cb 1.05 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.13 2kjc h PRO 101 CO 0.27 -0.00 -0.96 1.17 -0.21 0.00 0.00 178.00 178.26 2kjc n LYS 102 N -2.69 -2.53 0.00 1.05 4.81 -1.26 -5.34 118.16 112.20 2kjc n LYS 102 Ca -0.00 2.15 0.00 0.00 -0.87 0.00 0.00 58.31 59.59 2kjc n LYS 102 Cb 0.00 -3.35 0.00 0.00 0.02 0.00 0.00 35.03 31.70 2kjc n LYS 102 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66