#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpj h VAL 2 N 0.00 0.00 -3.20 1.12 2.07 -2.07 -3.40 116.25 110.77 2kpj h VAL 2 Ca 0.00 -0.11 -0.80 0.00 0.82 0.00 0.00 66.70 66.60 2kpj h VAL 2 Cb 0.00 0.00 -0.28 0.00 -1.52 0.00 0.00 31.29 29.49 2kpj h VAL 2 CO 0.00 0.00 0.62 2.29 0.02 0.00 0.00 177.57 180.50 2kpj n LYS 3 N -2.35 4.04 -0.44 1.57 2.85 -1.26 -4.66 118.16 117.91 2kpj n LYS 3 Ca -0.00 -4.52 0.06 0.00 -1.05 0.00 0.00 58.31 52.80 2kpj n LYS 3 Cb 0.00 -2.53 0.19 0.00 -0.65 0.00 0.00 35.03 32.05 2kpj n LYS 3 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2kpj n ASP 4 N 1.92 2.51 0.30 -5.58 9.92 -1.26 -4.68 116.55 119.67 2kpj n ASP 4 Ca 0.25 -3.44 0.15 0.00 -0.53 0.00 0.00 54.79 51.23 2kpj n ASP 4 Cb 0.36 -0.52 0.92 0.00 -0.64 0.00 0.00 41.12 41.23 2kpj n ASP 4 CO 0.00 0.00 0.00 0.50 0.13 0.00 0.00 177.20 177.83 2kpj h LYS 5 N 0.82 0.00 -0.52 -1.24 3.64 -1.95 0.52 116.57 117.85 2kpj h LYS 5 Ca 0.05 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2kpj h LYS 5 Cb 1.23 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.03 2kpj h LYS 5 CO 0.13 0.02 0.34 0.37 -2.27 0.00 0.00 179.45 178.04 2kpj h GLN 6 N 0.00 0.64 0.00 1.90 5.75 -1.93 -1.89 115.11 119.57 2kpj h GLN 6 Ca -0.00 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.36 2kpj h GLN 6 Cb 0.05 -0.14 -0.02 0.00 1.07 0.00 0.00 27.48 28.44 2kpj h GLN 6 CO 0.00 0.42 -0.50 0.87 -2.65 0.00 0.00 178.83 176.97 2kpj h LYS 7 N 0.65 0.00 -0.38 1.69 1.57 -1.23 -0.40 116.57 118.48 2kpj h LYS 7 Ca 0.20 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.82 2kpj h LYS 7 Cb -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2kpj h LYS 7 CO -0.05 0.50 -0.40 0.00 -0.57 0.00 0.00 179.45 178.93 2kpj h ALA 8 N 1.50 0.57 -0.31 3.86 0.00 -1.38 -0.94 119.26 122.56 2kpj h ALA 8 Ca -0.01 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2kpj h ALA 8 Cb 0.94 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2kpj h ALA 8 CO 0.07 0.68 -0.05 0.82 0.00 0.00 0.00 179.25 180.76 2kpj h ILE 9 N 0.75 1.27 0.06 0.00 2.04 -1.22 -1.73 117.51 118.69 2kpj h ILE 9 Ca 0.06 -1.07 0.02 0.00 1.00 0.00 0.00 64.86 64.87 2kpj h ILE 9 Cb 1.00 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 38.38 2kpj h ILE 9 CO 0.10 0.34 -0.23 0.15 0.00 0.00 0.00 178.15 178.52 2kpj h PHE 10 N 0.36 -0.60 -0.26 1.37 3.57 -0.82 -1.63 116.94 118.93 2kpj h PHE 10 Ca 0.08 0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 2kpj h PHE 10 Cb 0.53 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 2kpj h PHE 10 CO 0.05 -0.32 0.04 0.66 -2.23 0.00 0.00 178.31 176.51 2kpj h SER 11 N -0.39 0.42 -0.77 0.41 4.64 -1.18 -1.64 113.55 115.04 2kpj h SER 11 Ca 0.04 -0.26 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 2kpj h SER 11 Cb 0.44 -0.11 -0.04 0.00 -0.31 0.00 0.00 62.40 62.38 2kpj h SER 11 CO -0.17 0.57 0.50 -0.08 -0.87 0.00 0.00 176.83 176.78 2kpj h GLU 12 N 0.25 1.02 -0.50 4.77 4.57 -1.20 0.14 114.58 123.63 2kpj h GLU 12 Ca 0.08 -0.07 -0.04 0.00 -1.18 0.00 0.00 59.36 58.15 2kpj h GLU 12 Cb 0.33 -0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 2kpj h GLU 12 CO 0.00 0.68 0.16 -0.91 -1.18 0.00 0.00 179.01 177.77 2kpj h ASN 13 N 1.04 0.72 0.13 1.04 2.35 -1.22 -2.24 115.58 117.39 2kpj h ASN 13 Ca 0.28 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.83 2kpj h ASN 13 Cb -0.10 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.08 2kpj h ASN 13 CO -0.06 0.73 -0.07 0.25 -1.65 0.00 0.00 177.43 176.63 2kpj h LEU 14 N 0.67 -0.17 -0.59 1.61 5.85 -0.41 -2.52 115.31 119.74 2kpj h LEU 14 Ca 0.16 0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.96 2kpj h LEU 14 Cb 0.26 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 2kpj h LEU 14 CO -0.01 -0.12 0.28 0.78 -0.34 0.00 0.00 178.44 179.04 2kpj h ASN 15 N -0.19 0.38 -0.79 1.25 2.35 -0.69 -1.23 115.58 116.67 2kpj h ASN 15 Ca -0.01 0.04 0.01 0.00 -0.55 0.00 0.00 56.30 55.79 2kpj h ASN 15 Cb 0.15 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.46 2kpj h ASN 15 CO 0.02 0.25 0.52 0.28 -1.65 0.00 0.00 177.43 176.84 2kpj h SER 16 N 0.53 0.92 0.01 5.81 0.02 -1.18 0.11 113.55 119.76 2kpj h SER 16 Ca 0.27 -0.03 -0.23 0.00 -0.84 0.00 0.00 61.79 60.96 2kpj h SER 16 Cb 0.23 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.55 2kpj h SER 16 CO -0.21 0.67 -0.87 1.88 -1.14 0.00 0.00 176.83 177.16 2kpj h TYR 17 N 1.07 0.94 -0.14 3.45 0.05 -1.07 -2.85 116.97 118.43 2kpj h TYR 17 Ca 0.29 -0.46 -0.03 0.00 0.05 0.00 0.00 58.73 58.58 2kpj h TYR 17 Cb -0.11 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 37.49 2kpj h TYR 17 CO -0.02 1.28 -0.05 0.82 -1.05 0.00 0.00 178.16 179.14 2kpj h ILE 18 N 0.43 1.30 0.00 -2.88 2.04 -0.92 -2.62 117.51 114.86 2kpj h ILE 18 Ca -0.08 -1.04 -0.04 0.00 1.00 0.00 0.00 64.86 64.70 2kpj h ILE 18 Cb 1.50 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 39.28 2kpj h ILE 18 CO 0.17 0.30 -0.21 0.00 0.00 0.00 0.00 178.15 178.42 2kpj h ALA 19 N 0.68 1.17 0.00 1.87 0.00 -0.87 -2.13 119.26 119.98 2kpj h ALA 19 Ca 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 2kpj h ALA 19 Cb 0.49 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kpj h ALA 19 CO 0.02 0.26 -0.24 -0.22 0.00 0.00 0.00 179.25 179.07 2kpj h LYS 20 N 0.00 0.00 -7.25 0.00 3.64 -1.41 -3.45 116.57 108.10 2kpj h LYS 20 Ca -0.00 0.00 -0.50 0.00 -1.27 0.00 0.00 60.65 58.88 2kpj h LYS 20 Cb 0.56 0.00 0.05 0.00 -0.41 0.00 0.00 32.23 32.44 2kpj h LYS 20 CO 0.03 0.09 0.33 0.45 -2.27 0.00 0.00 179.45 178.08 2kpj s SER 21 N -6.14 6.16 0.13 4.20 0.15 -0.80 -5.00 113.70 112.40 2kpj s SER 21 Ca 0.05 1.24 -0.02 0.00 0.70 0.00 0.00 55.95 57.93 2kpj s SER 21 Cb 0.06 -2.35 -0.09 0.00 -1.71 0.00 0.00 66.02 61.93 2kpj s SER 21 CO 0.70 -0.83 1.30 -0.08 1.20 0.00 0.00 173.24 175.53 2kpj h GLU 22 N -0.19 0.31 -7.07 5.44 4.22 -1.88 -3.45 114.58 111.96 2kpj h GLU 22 Ca -0.45 -0.36 -0.46 0.00 0.08 0.00 0.00 59.36 58.16 2kpj h GLU 22 Cb 1.20 0.11 0.01 0.00 0.50 0.00 0.00 28.75 30.57 2kpj h GLU 22 CO 0.62 1.07 0.37 0.15 -2.18 0.00 0.00 179.01 179.04 2kpj s LYS 23 N -3.15 3.92 0.67 1.92 3.01 -1.26 -5.05 119.74 119.80 2kpj s LYS 23 Ca -0.04 1.28 -0.03 0.00 -1.01 0.00 0.00 55.97 56.16 2kpj s LYS 23 Cb 0.09 -2.12 0.07 0.00 -1.01 0.00 0.00 37.83 34.86 2kpj s LYS 23 CO 0.86 -0.32 0.95 0.95 0.51 0.00 0.00 175.35 178.30 2kpj s THR 24 N -2.06 2.36 0.35 2.17 -4.23 -1.26 -4.85 115.64 108.12 2kpj s THR 24 Ca 0.65 -0.44 0.08 0.00 -1.18 0.00 0.00 61.69 60.80 2kpj s THR 24 Cb -0.14 -2.91 0.32 0.00 1.34 0.00 0.00 72.50 71.10 2kpj s THR 24 CO 0.18 0.00 1.89 1.56 -0.54 0.00 0.00 174.62 177.71 2kpj h GLN 25 N -0.43 0.70 -0.45 3.99 4.20 -1.97 -1.24 115.11 119.92 2kpj h GLN 25 Ca -0.42 -0.04 -0.12 0.00 0.06 0.00 0.00 58.65 58.12 2kpj h GLN 25 Cb 1.30 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.90 2kpj h GLN 25 CO 0.52 0.46 -0.21 1.25 -0.67 0.00 0.00 178.83 180.19 2kpj h LEU 26 N 0.72 0.91 -0.03 1.46 6.46 -1.97 0.68 115.31 123.54 2kpj h LEU 26 Ca 0.42 -0.33 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 2kpj h LEU 26 Cb 0.62 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.30 2kpj h LEU 26 CO -0.19 1.09 0.01 -0.33 -0.62 0.00 0.00 178.44 178.40 2kpj h GLU 27 N 0.78 0.05 -0.51 1.25 3.07 -1.69 -1.95 114.58 115.58 2kpj h GLU 27 Ca 0.11 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 58.93 2kpj h GLU 27 Cb 0.75 -0.01 -0.02 0.00 -0.84 0.00 0.00 28.75 28.63 2kpj h GLU 27 CO 0.06 0.27 0.24 0.82 -1.40 0.00 0.00 179.01 179.00 2kpj h ILE 28 N -0.18 1.20 -0.64 3.13 2.04 -1.13 0.87 117.51 122.79 2kpj h ILE 28 Ca 0.01 -0.56 0.01 0.00 1.00 0.00 0.00 64.86 65.32 2kpj h ILE 28 Cb 0.25 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.92 2kpj h ILE 28 CO 0.00 0.22 0.42 0.00 0.00 0.00 0.00 178.15 178.79 2kpj h ALA 29 N 1.08 0.82 -0.41 1.87 0.00 -0.86 0.10 119.26 121.87 2kpj h ALA 29 Ca 0.17 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 2kpj h ALA 29 Cb 0.13 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 2kpj h ALA 29 CO -0.02 0.21 -0.25 -0.22 0.00 0.00 0.00 179.25 178.97 2kpj h LYS 30 N 0.84 0.85 -0.65 0.00 3.64 -1.08 0.11 116.57 120.28 2kpj h LYS 30 Ca 0.24 -0.37 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 2kpj h LYS 30 Cb -0.06 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 2kpj h LYS 30 CO -0.07 1.00 0.37 1.03 -2.27 0.00 0.00 179.45 179.52 2kpj h SER 31 N 0.73 0.79 -0.21 4.20 0.87 -0.21 -2.77 113.55 116.94 2kpj h SER 31 Ca 0.09 -0.08 -0.08 0.00 -1.23 0.00 0.00 61.79 60.49 2kpj h SER 31 Cb 0.80 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.55 2kpj h SER 31 CO 0.07 0.64 -0.19 0.40 -0.53 0.00 0.00 176.83 177.21 2kpj h ILE 32 N 0.88 1.32 0.00 2.23 2.04 -0.85 -3.48 117.51 119.65 2kpj h ILE 32 Ca 0.23 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.75 2kpj h ILE 32 Cb 0.01 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 37.80 2kpj h ILE 32 CO -0.04 0.41 0.00 0.61 0.00 0.00 0.00 178.15 179.13 2kpj n GLY 33 N 0.15 1.87 3.45 5.37 0.00 0.21 -5.10 105.19 111.13 2kpj n GLY 33 Ca -0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.72 2kpj n GLY 33 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kpj s VAL 34 N -2.00 2.44 0.41 1.61 -7.23 -0.23 -5.02 120.40 110.39 2kpj s VAL 34 Ca 0.00 -2.20 -0.25 0.00 -1.81 0.00 0.00 61.98 57.72 2kpj s VAL 34 Cb 0.00 -2.23 -0.08 0.00 0.56 0.00 0.00 36.38 34.63 2kpj s VAL 34 CO 0.00 -0.25 1.19 -0.44 -0.31 0.00 0.00 175.10 175.29 2kpj s SER 35 N -3.09 6.40 0.51 4.85 0.01 -1.26 -4.20 113.70 116.92 2kpj s SER 35 Ca 0.25 2.39 0.24 0.00 1.31 0.00 0.00 55.95 60.15 2kpj s SER 35 Cb -0.07 -2.62 1.37 0.00 0.21 0.00 0.00 66.02 64.91 2kpj s SER 35 CO 0.13 -0.76 2.07 1.55 0.41 0.00 0.00 173.24 176.63 2kpj h PRO 36 N 2.52 0.00 -0.42 12.44 0.13 -1.95 -1.29 132.00 143.42 2kpj h PRO 36 Ca -0.49 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.60 2kpj h PRO 36 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.35 2kpj h PRO 36 CO 0.62 0.12 0.10 1.96 -0.23 0.00 0.00 178.00 180.58 2kpj h GLN 37 N 0.00 0.67 -0.31 0.86 4.20 -1.98 1.00 115.11 119.55 2kpj h GLN 37 Ca -0.00 -0.16 -0.10 0.00 0.06 0.00 0.00 58.65 58.44 2kpj h GLN 37 Cb 0.29 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 2kpj h GLN 37 CO 0.02 0.68 -0.22 1.15 -0.67 0.00 0.00 178.83 179.79 2kpj h THR 38 N 0.54 1.30 -0.88 -0.54 2.02 -1.70 -1.02 112.91 112.63 2kpj h THR 38 Ca 0.13 -1.35 0.01 0.00 0.77 0.00 0.00 66.41 65.97 2kpj h THR 38 Cb 0.31 1.50 -0.04 0.00 -1.74 0.00 0.00 68.15 68.17 2kpj h THR 38 CO 0.00 0.44 0.58 0.15 0.37 0.00 0.00 175.52 177.06 2kpj h PHE 39 N 0.45 1.10 -0.34 3.16 3.57 -1.22 -2.06 116.94 121.60 2kpj h PHE 39 Ca 0.06 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 2kpj h PHE 39 Cb 0.77 -0.37 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 2kpj h PHE 39 CO 0.07 0.69 0.06 -0.97 -2.23 0.00 0.00 178.31 175.92 2kpj h ASN 40 N 1.18 0.54 0.30 0.41 -0.73 -0.37 -0.46 115.58 116.45 2kpj h ASN 40 Ca 0.32 -0.26 -0.03 0.00 1.87 0.00 0.00 56.30 58.21 2kpj h ASN 40 Cb -0.13 -0.14 -0.00 0.00 0.27 0.00 0.00 38.32 38.31 2kpj h ASN 40 CO -0.07 0.66 -0.12 0.71 -0.37 0.00 0.00 177.43 178.24 2kpj h THR 41 N 0.40 0.67 -0.00 -3.57 1.35 -0.72 0.24 112.91 111.27 2kpj h THR 41 Ca 0.10 -0.51 -0.11 0.00 -0.55 0.00 0.00 66.41 65.35 2kpj h THR 41 Cb 0.35 1.31 0.01 0.00 -1.73 0.00 0.00 68.15 68.09 2kpj h THR 41 CO 0.01 0.12 -0.41 -0.50 -0.25 0.00 0.00 175.52 174.48 2kpj h TRP 42 N 0.00 0.43 0.00 4.73 6.55 -1.04 0.20 115.95 126.81 2kpj h TRP 42 Ca -0.00 -0.23 0.00 0.00 0.95 0.00 0.00 58.89 59.61 2kpj h TRP 42 Cb 0.31 -0.05 0.00 0.00 -0.86 0.00 0.00 29.16 28.56 2kpj h TRP 42 CO 0.00 1.04 0.00 0.00 -1.05 0.00 0.00 178.44 178.43 2kpj n LYS 44 N -2.90 1.06 -2.07 0.00 4.76 0.76 -4.74 118.16 115.03 2kpj n LYS 44 Ca 0.01 -0.67 -0.08 0.00 -2.87 0.00 0.00 58.31 54.70 2kpj n LYS 44 Cb 0.31 -1.49 -0.01 0.00 -1.84 0.00 0.00 35.03 32.01 2kpj n LYS 44 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kpj n GLY 45 N 1.32 0.12 0.14 0.72 0.00 -0.34 -4.93 105.19 102.22 2kpj n GLY 45 Ca 0.13 -0.56 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 2kpj n GLY 45 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2kpj h ILE 46 N 0.00 1.02 -3.25 -0.61 2.04 -0.81 -3.43 117.51 112.47 2kpj h ILE 46 Ca -0.19 -2.52 -0.09 0.00 1.00 0.00 0.00 64.86 63.06 2kpj h ILE 46 Cb 1.09 2.82 -0.17 0.00 -0.74 0.00 0.00 36.82 39.82 2kpj h ILE 46 CO 0.23 0.83 -0.21 0.00 0.00 0.00 0.00 178.15 178.99 2kpj s ALA 47 N -2.56 -0.75 -0.13 1.87 0.00 -1.04 -5.03 121.76 114.12 2kpj s ALA 47 Ca -0.15 0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.88 2kpj s ALA 47 Cb 0.05 0.33 -0.01 0.00 0.00 0.00 0.00 23.12 23.49 2kpj s ALA 47 CO 0.86 -0.43 -0.14 0.42 0.00 0.00 0.00 175.76 176.46 2kpj s ILE 48 N -2.56 2.92 0.06 0.00 1.01 -1.26 -4.10 121.20 117.27 2kpj s ILE 48 Ca -0.05 -0.71 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 2kpj s ILE 48 Cb -0.01 -2.22 0.01 0.00 0.01 0.00 0.00 42.46 40.26 2kpj s ILE 48 CO -0.03 0.53 0.04 -0.81 0.00 0.00 0.00 174.94 174.67 2kpj n PRO 49 N 3.54 -1.55 -2.59 2.79 -0.04 -1.26 -5.03 135.00 130.86 2kpj n PRO 49 Ca -0.18 -0.07 -0.27 0.00 -0.04 0.00 0.00 63.50 62.94 2kpj n PRO 49 Cb 0.53 -0.07 0.01 0.00 -0.04 0.00 0.00 33.50 33.93 2kpj n PRO 49 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2kpj s ARG 50 N -3.10 3.23 0.42 0.54 1.81 -1.26 -4.79 118.95 115.81 2kpj s ARG 50 Ca 0.03 0.03 0.16 0.00 -1.72 0.00 0.00 55.73 54.23 2kpj s ARG 50 Cb -0.00 -2.36 1.06 0.00 -0.45 0.00 0.00 34.95 33.20 2kpj s ARG 50 CO 0.02 -0.41 1.90 0.00 -0.68 0.00 0.00 175.30 176.13 2kpj h MET 51 N 0.09 0.40 -0.72 3.54 -0.00 -1.97 0.12 114.93 116.38 2kpj h MET 51 Ca -0.46 -0.02 -0.05 0.00 -0.00 0.00 0.00 59.70 59.16 2kpj h MET 51 Cb 1.23 -0.09 -0.03 0.00 -0.00 0.00 0.00 31.60 32.71 2kpj h MET 51 CO 0.61 0.26 0.24 0.78 -0.00 0.00 0.00 176.91 178.80 2kpj h GLY 52 N 0.41 1.19 1.56 -3.00 0.00 -1.98 0.20 103.07 101.45 2kpj h GLY 52 Ca 0.40 -0.69 -0.23 0.00 0.00 0.00 0.00 47.33 46.81 2kpj h GLY 52 CO -0.14 0.65 -1.25 1.70 0.00 0.00 0.00 176.54 177.50 2kpj h LYS 53 N 1.05 0.00 -0.73 4.80 3.64 -1.35 -2.04 116.57 121.94 2kpj h LYS 53 Ca 0.23 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.56 2kpj h LYS 53 Cb 0.28 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.07 2kpj h LYS 53 CO -0.01 0.73 0.25 0.28 -2.27 0.00 0.00 179.45 178.43 2kpj h VAL 54 N 0.00 1.26 -0.63 2.00 2.07 -0.74 -1.54 116.25 118.66 2kpj h VAL 54 Ca -0.12 -0.87 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 2kpj h VAL 54 Cb 1.82 0.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 2kpj h VAL 54 CO 0.10 0.34 0.24 -0.61 0.02 0.00 0.00 177.57 177.66 2kpj h GLN 55 N 1.07 0.92 -0.80 1.57 5.75 -0.53 -1.62 115.11 121.47 2kpj h GLN 55 Ca 0.24 -0.15 -0.01 0.00 -0.15 0.00 0.00 58.65 58.57 2kpj h GLN 55 Cb 0.28 -0.16 -0.04 0.00 1.07 0.00 0.00 27.48 28.63 2kpj h GLN 55 CO -0.01 0.76 0.45 0.00 -2.65 0.00 0.00 178.83 177.38 2kpj h ALA 56 N 1.35 1.29 0.14 3.38 0.00 -0.79 0.59 119.26 125.22 2kpj h ALA 56 Ca 0.21 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2kpj h ALA 56 Cb 0.20 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2kpj h ALA 56 CO -0.02 0.59 -0.06 -0.07 0.00 0.00 0.00 179.25 179.69 2kpj h LEU 57 N 1.11 -0.15 -1.28 0.00 3.38 -0.71 -1.24 115.31 116.43 2kpj h LEU 57 Ca 0.28 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 2kpj h LEU 57 Cb 0.00 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2kpj h LEU 57 CO -0.05 0.02 -0.14 0.00 0.09 0.00 0.00 178.44 178.36 2kpj h ALA 58 N 0.52 1.41 -0.60 1.53 0.00 -0.98 -2.62 119.26 118.53 2kpj h ALA 58 Ca -0.02 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2kpj h ALA 58 Cb 0.26 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2kpj h ALA 58 CO 0.03 0.41 0.20 0.22 0.00 0.00 0.00 179.25 180.11 2kpj h ASP 59 N 0.30 0.86 -0.55 0.00 1.82 0.38 0.25 116.42 119.49 2kpj h ASP 59 Ca 0.06 -0.20 -0.06 0.00 -0.39 0.00 0.00 57.03 56.44 2kpj h ASP 59 Cb 0.43 -0.23 -0.03 0.00 0.68 0.00 0.00 39.33 40.19 2kpj h ASP 59 CO 0.03 0.83 0.13 0.22 -1.61 0.00 0.00 179.24 178.83 2kpj h TYR 60 N 0.84 0.98 -0.01 0.28 3.20 -0.85 -2.20 116.97 119.21 2kpj h TYR 60 Ca 0.19 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2kpj h TYR 60 Cb 0.27 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.26 2kpj h TYR 60 CO 0.02 0.82 -0.27 1.19 -1.64 0.00 0.00 178.16 178.28 2kpj n PHE 61 N -4.25 0.00 -2.16 -3.82 3.72 -1.11 -4.93 117.46 104.91 2kpj n PHE 61 Ca 0.04 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.25 2kpj n PHE 61 Cb 0.25 -0.08 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 2kpj n PHE 61 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2kpj n ASN 62 N -0.36 -5.44 -2.49 4.37 5.15 0.65 -4.98 115.26 112.16 2kpj n ASN 62 Ca 0.12 0.10 -0.04 0.00 -0.60 0.00 0.00 54.58 54.16 2kpj n ASN 62 Cb 0.38 -4.52 0.00 0.00 -0.53 0.00 0.00 39.78 35.12 2kpj n ASN 62 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 2kpj n ILE 63 N -3.63 0.00 -3.64 -1.44 -5.35 0.20 -4.99 119.36 100.51 2kpj n ILE 63 Ca -0.22 -0.37 -0.29 0.00 -0.27 0.00 0.00 62.75 61.60 2kpj n ILE 63 Cb 0.66 -0.52 -0.04 0.00 -1.74 0.00 0.00 39.64 38.00 2kpj n ILE 63 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 2kpj s ASN 64 N -1.57 6.43 0.48 7.28 3.84 -1.26 -4.52 114.94 125.62 2kpj s ASN 64 Ca 0.06 0.51 0.17 0.00 0.21 0.00 0.00 52.86 53.82 2kpj s ASN 64 Cb -0.01 -2.06 1.16 0.00 -0.55 0.00 0.00 41.25 39.79 2kpj s ASN 64 CO 0.04 -0.03 2.05 0.07 -2.79 0.00 0.00 177.10 176.44 2kpj h LYS 65 N 2.25 0.00 0.00 0.43 2.10 -1.92 -1.73 116.57 117.70 2kpj h LYS 65 Ca -0.47 0.00 -0.04 0.00 -2.00 0.00 0.00 60.65 58.14 2kpj h LYS 65 Cb 1.18 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 2kpj h LYS 65 CO 0.69 0.13 -0.19 0.66 -2.00 0.00 0.00 179.45 178.74 2kpj h SER 66 N 0.00 0.00 0.15 7.07 4.64 -1.98 -2.44 113.55 120.99 2kpj h SER 66 Ca -0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 2kpj h SER 66 Cb 0.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2kpj h SER 66 CO 0.02 0.19 -0.04 0.44 -0.87 0.00 0.00 176.83 176.57 2kpj h ASP 67 N 0.00 0.00 0.61 4.97 3.32 -1.68 0.44 116.42 124.08 2kpj h ASP 67 Ca -0.00 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.02 2kpj h ASP 67 Cb 0.55 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.10 2kpj h ASP 67 CO 0.03 0.04 -1.42 0.18 -1.72 0.00 0.00 179.24 176.35 2kpj n LEU 68 N -3.70 0.55 -0.13 1.55 4.77 -0.93 -4.57 117.00 114.54 2kpj n LEU 68 Ca -0.03 0.22 -0.21 0.00 -0.03 0.00 0.00 56.01 55.96 2kpj n LEU 68 Cb 0.14 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.11 2kpj n LEU 68 CO 0.28 -0.07 -1.34 -0.38 -1.33 0.00 0.00 177.39 174.55 2kpj n ILE 69 N -2.57 1.43 -1.50 -0.08 2.08 -0.55 -2.62 119.36 115.55 2kpj n ILE 69 Ca -0.03 -0.49 -0.30 0.00 0.56 0.00 0.00 62.75 62.49 2kpj n ILE 69 Cb 0.61 -1.53 0.08 0.00 -0.75 0.00 0.00 39.64 38.04 2kpj n ILE 69 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 2kpj s GLU 70 N -2.49 2.39 0.58 0.38 0.41 0.14 -4.74 118.70 115.37 2kpj s GLU 70 Ca -0.34 0.85 0.03 0.00 -0.41 0.00 0.00 54.97 55.09 2kpj s GLU 70 Cb 0.10 -1.94 0.11 0.00 -1.78 0.00 0.00 34.13 30.63 2kpj s GLU 70 CO 0.54 -1.46 0.80 -3.47 -0.49 0.00 0.00 175.26 171.17 2kpj n ASP 71 N -3.36 1.41 0.00 -0.19 2.03 -1.26 -4.52 116.55 110.66 2kpj n ASP 71 Ca 0.07 -2.11 0.00 0.00 0.52 0.00 0.00 54.79 53.28 2kpj n ASP 71 Cb 0.55 -0.49 0.00 0.00 -0.72 0.00 0.00 41.12 40.46 2kpj n ASP 71 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2kpj n LYS 72 N -2.40 -0.36 -0.70 -0.67 4.81 -1.26 -4.84 118.16 112.74 2kpj n LYS 72 Ca 0.14 0.09 0.08 0.00 -0.87 0.00 0.00 58.31 57.75 2kpj n LYS 72 Cb 0.51 -3.36 0.36 0.00 0.02 0.00 0.00 35.03 32.56 2kpj n LYS 72 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2kpj n LYS 73 N -1.97 4.04 -2.57 1.64 5.02 -1.26 -4.79 118.16 118.27 2kpj n LYS 73 Ca 0.00 -2.81 -0.43 0.00 -2.02 0.00 0.00 58.31 53.05 2kpj n LYS 73 Cb 0.09 -2.02 0.00 0.00 -0.02 0.00 0.00 35.03 33.08 2kpj n LYS 73 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kpj n LEU 74 N 0.87 5.25 -4.65 -0.35 4.77 -1.26 -4.94 117.00 116.70 2kpj n LEU 74 Ca 0.25 -4.08 -0.35 0.00 -0.03 0.00 0.00 56.01 51.80 2kpj n LEU 74 Cb 0.97 -1.70 -0.09 0.00 -2.33 0.00 0.00 43.42 40.26 2kpj n LEU 74 CO 0.26 0.41 -0.23 0.21 -1.33 0.00 0.00 177.39 176.71 2kpj s ASN 75 N 3.71 5.75 -0.12 -1.43 3.84 -1.26 -5.06 114.94 120.37 2kpj s ASN 75 Ca 0.50 0.10 -0.30 0.00 0.21 0.00 0.00 52.86 53.38 2kpj s ASN 75 Cb 0.04 -1.99 -0.02 0.00 -0.55 0.00 0.00 41.25 38.73 2kpj s ASN 75 CO 0.04 0.16 1.12 -0.63 -2.79 0.00 0.00 177.10 175.01 2kpj s ILE 76 N 0.45 4.51 0.00 -5.21 -1.09 -1.26 -4.79 121.20 113.80 2kpj s ILE 76 Ca 0.04 1.81 0.00 0.00 -2.23 0.00 0.00 60.65 60.27 2kpj s ILE 76 Cb -0.12 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.59 2kpj s ILE 76 CO 0.00 -0.05 0.50 -0.67 -1.23 0.00 0.00 174.94 173.49 2kpj n ASP 77 N 5.56 0.00 -1.28 3.58 2.03 -1.26 -5.11 116.55 120.08 2kpj n ASP 77 Ca 0.11 -1.11 0.00 0.00 0.52 0.00 0.00 54.79 54.31 2kpj n ASP 77 Cb 0.47 -0.02 0.00 0.00 -0.72 0.00 0.00 41.12 40.85 2kpj n ASP 77 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2kpj n THR 78 N 0.00 0.00 -3.54 5.18 -2.24 -1.26 -5.09 114.28 107.33 2kpj n THR 78 Ca 0.00 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 2kpj n THR 78 Cb 0.52 -0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.48 2kpj n THR 78 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2kpj s VAL 79 N 0.06 4.62 -0.41 2.28 1.01 -1.26 -5.05 120.40 121.66 2kpj s VAL 79 Ca 0.00 -2.85 -0.28 0.00 0.00 0.00 0.00 61.98 58.84 2kpj s VAL 79 Cb 0.00 -3.91 -0.00 0.00 0.00 0.00 0.00 36.38 32.46 2kpj s VAL 79 CO 0.00 -0.97 1.59 -2.84 0.00 0.00 0.00 175.10 172.88 2kpj s PRO 80 N -0.12 3.38 0.46 2.72 0.02 -1.26 -5.00 135.00 135.21 2kpj s PRO 80 Ca 0.19 1.04 -0.20 0.00 0.02 0.00 0.00 61.00 62.04 2kpj s PRO 80 Cb -0.15 -4.13 -0.10 0.00 0.02 0.00 0.00 34.50 30.15 2kpj s PRO 80 CO -0.06 -1.80 0.99 0.42 -0.33 0.00 0.00 177.00 176.21 2kpj s ILE 81 N 6.31 4.15 -0.21 2.83 -1.09 -1.26 -4.94 121.20 127.00 2kpj s ILE 81 Ca 0.68 1.31 -0.36 0.00 -2.23 0.00 0.00 60.65 60.05 2kpj s ILE 81 Cb -0.16 -3.54 -0.12 0.00 -1.58 0.00 0.00 42.46 37.05 2kpj s ILE 81 CO 0.31 -0.32 1.93 -1.84 -1.23 0.00 0.00 174.94 173.79 2kpj n GLU 82 N -0.86 1.63 -3.71 2.79 0.28 -1.26 -4.93 120.64 114.58 2kpj n GLU 82 Ca 0.08 0.57 -0.10 0.00 -0.16 0.00 0.00 57.16 57.55 2kpj n GLU 82 Cb 0.53 -2.47 -0.05 0.00 1.43 0.00 0.00 31.44 30.88 2kpj n GLU 82 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 2kpj s SER 83 N 4.84 -0.15 0.38 -1.84 0.01 -1.26 -5.19 113.70 110.49 2kpj s SER 83 Ca 0.99 -0.44 0.06 0.00 1.31 0.00 0.00 55.95 57.87 2kpj s SER 83 Cb -0.82 0.46 -0.02 0.00 0.21 0.00 0.00 66.02 65.84 2kpj s SER 83 CO 0.55 -0.86 0.23 -0.83 0.41 0.00 0.00 173.24 172.74 2kpj s GLY 84 N -2.83 2.55 0.26 3.44 0.00 -1.26 -5.18 107.32 104.29 2kpj s GLY 84 Ca 0.05 -1.67 -0.05 0.00 0.00 0.00 0.00 44.72 43.06 2kpj s GLY 84 CO -0.10 -1.64 0.33 -2.52 0.00 0.00 0.00 173.10 169.18 2kpj s TYR 85 N -3.30 0.91 0.00 1.90 -0.85 -1.26 -5.06 117.35 109.69 2kpj s TYR 85 Ca 0.32 -1.15 0.01 0.00 -0.52 0.00 0.00 57.07 55.73 2kpj s TYR 85 Cb 0.02 -0.21 0.02 0.00 0.38 0.00 0.00 41.96 42.16 2kpj s TYR 85 CO 0.23 -0.88 0.99 2.41 -1.52 0.00 0.00 175.55 176.77 2kpj n THR 86 N -0.39 0.00 -2.57 -3.49 -1.04 -1.26 -5.04 114.28 100.48 2kpj n THR 86 Ca 0.01 -0.05 -0.41 0.00 -2.04 0.00 0.00 64.05 61.56 2kpj n THR 86 Cb 0.63 0.50 -0.03 0.00 -1.82 0.00 0.00 70.33 69.62 2kpj n THR 86 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 2kpj s LEU 87 N 0.00 3.29 -0.01 -4.42 1.98 -1.26 -4.82 118.68 113.44 2kpj s LEU 87 Ca 0.02 -0.34 0.04 0.00 -2.89 0.00 0.00 54.13 50.95 2kpj s LEU 87 Cb 0.02 -2.70 -0.25 0.00 0.66 0.00 0.00 46.19 43.93 2kpj s LEU 87 CO -0.01 -1.73 0.78 1.05 -1.89 0.00 0.00 176.35 174.55 2kpj h GLU 88 N 9.89 0.12 -5.55 1.98 -0.00 -2.08 -3.49 114.58 115.45 2kpj h GLU 88 Ca -0.27 -0.20 -0.21 0.00 -0.00 0.00 0.00 59.36 58.68 2kpj h GLU 88 Cb 1.05 0.07 0.13 0.00 -0.00 0.00 0.00 28.75 30.01 2kpj h GLU 88 CO 1.25 0.87 -0.65 1.58 -0.00 0.00 0.00 179.01 182.06 2kpj n HIS 89 N -3.28 -2.53 -1.76 2.06 -0.00 -1.26 -4.89 115.22 103.56 2kpj n HIS 89 Ca -0.16 0.89 -0.43 0.00 0.46 0.00 0.00 57.72 58.48 2kpj n HIS 89 Cb 1.03 -4.01 -0.03 0.00 -0.12 0.00 0.00 29.99 26.86 2kpj n HIS 89 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kpj s HIS 90 N -3.29 1.43 0.11 1.57 5.04 -1.26 -4.93 115.29 113.96 2kpj s HIS 90 Ca 0.33 0.33 -0.31 0.00 -1.54 0.00 0.00 55.06 53.87 2kpj s HIS 90 Cb -0.06 -4.03 -0.08 0.00 0.04 0.00 0.00 32.58 28.46 2kpj s HIS 90 CO 0.76 -4.07 1.36 -3.38 -2.34 0.00 0.00 174.74 167.06 2kpj s HIS 91 N 6.79 3.28 -0.07 3.88 -3.43 -1.26 -5.01 115.29 119.47 2kpj s HIS 91 Ca 0.90 1.01 -0.02 0.00 -0.80 0.00 0.00 55.06 56.16 2kpj s HIS 91 Cb -0.32 -3.64 0.03 0.00 -1.43 0.00 0.00 32.58 27.22 2kpj s HIS 91 CO 0.35 -2.20 0.02 -1.58 -2.00 0.00 0.00 174.74 169.34 2kpj s HIS 92 N 1.10 0.47 0.30 0.38 5.04 -1.26 -5.15 115.29 116.17 2kpj s HIS 92 Ca 0.64 -0.05 -0.04 0.00 -1.54 0.00 0.00 55.06 54.06 2kpj s HIS 92 Cb -0.36 -0.70 -0.05 0.00 0.04 0.00 0.00 32.58 31.52 2kpj s HIS 92 CO 0.30 -0.30 0.56 -1.01 -2.34 0.00 0.00 174.74 171.95 2kpj s HIS 93 N 2.04 3.49 0.00 3.88 3.76 -1.26 -5.31 115.29 121.88 2kpj s HIS 93 Ca 0.05 0.58 0.00 0.00 -0.15 0.00 0.00 55.06 55.54 2kpj s HIS 93 Cb -0.12 -2.06 0.00 0.00 1.11 0.00 0.00 32.58 31.50 2kpj s HIS 93 CO -0.05 0.15 0.00 0.72 -0.85 0.00 0.00 174.74 174.71