#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpj s VAL 2 N 0.00 4.28 0.04 2.03 1.01 -1.26 -4.97 120.40 121.53 2kpj s VAL 2 Ca 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2kpj s VAL 2 Cb 0.00 -4.72 -0.03 0.00 0.00 0.00 0.00 36.38 31.63 2kpj s VAL 2 CO 0.00 -1.51 -0.05 -0.54 0.00 0.00 0.00 175.10 173.00 2kpj s LYS 3 N 4.16 0.46 0.33 2.72 1.02 -1.26 -5.13 119.74 122.03 2kpj s LYS 3 Ca 0.24 -0.80 -0.29 0.00 0.02 0.00 0.00 55.97 55.14 2kpj s LYS 3 Cb -0.15 -0.03 -0.11 0.00 -0.52 0.00 0.00 37.83 37.02 2kpj s LYS 3 CO 0.09 -0.02 1.52 -0.51 -0.92 0.00 0.00 175.35 175.51 2kpj s ASP 4 N -1.82 6.41 0.52 2.83 1.01 -1.26 -4.87 116.67 119.48 2kpj s ASP 4 Ca -0.09 2.95 0.27 0.00 0.71 0.00 0.00 52.55 56.39 2kpj s ASP 4 Cb -0.06 -2.65 1.42 0.00 1.01 0.00 0.00 42.92 42.63 2kpj s ASP 4 CO -0.02 -0.86 2.06 0.07 0.21 0.00 0.00 175.17 176.64 2kpj h LYS 5 N 4.00 0.00 -0.15 8.23 2.10 -2.00 -0.44 116.57 128.30 2kpj h LYS 5 Ca -0.49 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.07 2kpj h LYS 5 Cb 1.23 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.55 2kpj h LYS 5 CO 0.72 0.12 -0.33 0.37 -2.00 0.00 0.00 179.45 178.33 2kpj h GLN 6 N 0.00 0.30 -0.35 0.07 5.75 -1.98 -1.68 115.11 117.21 2kpj h GLN 6 Ca -0.00 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 2kpj h GLN 6 Cb 0.34 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.86 2kpj h GLN 6 CO 0.02 0.60 0.18 0.87 -2.65 0.00 0.00 178.83 177.85 2kpj h LYS 7 N 0.26 0.50 -0.45 1.69 1.79 -1.44 -0.51 116.57 118.41 2kpj h LYS 7 Ca 0.03 -0.07 -0.07 0.00 -2.18 0.00 0.00 60.65 58.37 2kpj h LYS 7 Cb 0.72 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 31.26 2kpj h LYS 7 CO 0.05 0.43 0.00 0.00 -1.08 0.00 0.00 179.45 178.86 2kpj h ALA 8 N 1.04 0.61 0.11 3.86 0.00 -1.33 -1.69 119.26 121.85 2kpj h ALA 8 Ca 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2kpj h ALA 8 Cb 0.09 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2kpj h ALA 8 CO -0.02 0.40 -0.05 0.82 0.00 0.00 0.00 179.25 180.40 2kpj h ILE 9 N 0.64 1.00 -0.11 0.00 2.04 -1.19 -1.27 117.51 118.63 2kpj h ILE 9 Ca 0.13 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.60 2kpj h ILE 9 Cb 0.49 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2kpj h ILE 9 CO 0.02 0.10 -0.02 0.15 0.00 0.00 0.00 178.15 178.40 2kpj h PHE 10 N -0.33 -0.05 -0.25 1.37 3.57 -1.07 0.11 116.94 120.29 2kpj h PHE 10 Ca -0.01 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 2kpj h PHE 10 Cb 0.27 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 2kpj h PHE 10 CO -0.01 -0.04 0.04 0.66 -2.23 0.00 0.00 178.31 176.73 2kpj h SER 11 N 0.01 0.40 -0.23 0.41 4.64 -1.30 -0.88 113.55 116.59 2kpj h SER 11 Ca 0.05 -0.26 -0.10 0.00 -0.47 0.00 0.00 61.79 61.01 2kpj h SER 11 Cb 0.07 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 2kpj h SER 11 CO -0.10 0.56 -0.19 -0.08 -0.87 0.00 0.00 176.83 176.15 2kpj h GLU 12 N 0.22 0.67 0.21 4.77 4.81 -1.13 0.34 114.58 124.47 2kpj h GLU 12 Ca 0.07 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.05 2kpj h GLU 12 Cb 0.34 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.67 2kpj h GLU 12 CO 0.01 0.82 -0.10 -0.97 -0.73 0.00 0.00 179.01 178.03 2kpj h ASN 13 N 0.60 -0.23 -0.47 1.04 -0.73 -0.81 -1.30 115.58 113.68 2kpj h ASN 13 Ca 0.09 -0.08 -0.01 0.00 1.87 0.00 0.00 56.30 58.17 2kpj h ASN 13 Cb 0.65 0.06 -0.02 0.00 0.27 0.00 0.00 38.32 39.28 2kpj h ASN 13 CO 0.05 -0.06 0.27 0.25 -0.37 0.00 0.00 177.43 177.57 2kpj h LEU 14 N -0.39 0.57 -1.26 0.34 5.85 -0.98 -2.60 115.31 116.84 2kpj h LEU 14 Ca -0.03 -0.07 0.09 0.00 0.84 0.00 0.00 57.88 58.71 2kpj h LEU 14 Cb 0.30 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 2kpj h LEU 14 CO 0.05 0.47 0.55 -1.13 -0.34 0.00 0.00 178.44 178.04 2kpj h ASN 15 N 0.62 0.75 -0.82 1.25 -0.73 -0.19 -0.05 115.58 116.41 2kpj h ASN 15 Ca 0.17 0.02 -0.03 0.00 1.87 0.00 0.00 56.30 58.33 2kpj h ASN 15 Cb 0.02 -0.14 -0.04 0.00 0.27 0.00 0.00 38.32 38.43 2kpj h ASN 15 CO -0.03 0.45 0.41 0.28 -0.37 0.00 0.00 177.43 178.17 2kpj h SER 16 N 0.83 1.06 -0.25 1.15 0.02 -0.85 -2.17 113.55 113.34 2kpj h SER 16 Ca 0.38 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.16 2kpj h SER 16 Cb 0.39 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 2kpj h SER 16 CO -0.15 0.89 -0.03 1.88 -1.14 0.00 0.00 176.83 178.27 2kpj h TYR 17 N 1.16 0.52 -0.11 3.45 0.05 -0.89 -2.26 116.97 118.88 2kpj h TYR 17 Ca 0.28 -0.10 0.04 0.00 0.05 0.00 0.00 58.73 59.00 2kpj h TYR 17 Cb 0.10 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 37.67 2kpj h TYR 17 CO 0.01 0.67 -0.12 0.82 -1.05 0.00 0.00 178.16 178.49 2kpj h ILE 18 N 0.23 0.67 0.00 -2.88 2.04 -0.97 -0.67 117.51 115.92 2kpj h ILE 18 Ca 0.07 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.84 2kpj h ILE 18 Cb 0.48 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 2kpj h ILE 18 CO 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 178.15 177.76 2kpj h ALA 19 N 0.92 0.99 -0.02 1.87 0.00 -1.43 -3.02 119.26 118.57 2kpj h ALA 19 Ca 0.08 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2kpj h ALA 19 Cb 0.27 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2kpj h ALA 19 CO -0.20 0.52 -0.06 1.63 0.00 0.00 0.00 179.25 181.13 2kpj n LYS 20 N -3.58 1.74 0.00 0.00 5.02 -0.85 -3.29 118.16 117.20 2kpj n LYS 20 Ca -0.00 -1.21 0.11 0.00 -2.02 0.00 0.00 58.31 55.19 2kpj n LYS 20 Cb 0.53 -1.48 0.04 0.00 -0.02 0.00 0.00 35.03 34.10 2kpj n LYS 20 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2kpj n SER 21 N 0.42 1.80 -3.80 4.39 7.64 -0.30 -4.98 113.62 118.79 2kpj n SER 21 Ca 0.16 -1.38 -0.25 0.00 1.01 0.00 0.00 58.87 58.42 2kpj n SER 21 Cb 0.44 0.48 0.02 0.00 -1.01 0.00 0.00 64.21 64.13 2kpj n SER 21 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2kpj n GLU 22 N -0.25 -4.80 -4.32 1.43 4.71 -1.21 -5.00 120.64 111.20 2kpj n GLU 22 Ca 0.09 0.58 -0.19 0.00 -0.01 0.00 0.00 57.16 57.63 2kpj n GLU 22 Cb 0.44 -5.16 -0.13 0.00 -1.01 0.00 0.00 31.44 25.58 2kpj n GLU 22 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 2kpj s LYS 23 N -6.25 0.87 0.55 3.49 2.20 -1.23 -5.12 119.74 114.26 2kpj s LYS 23 Ca 0.19 -0.72 -0.08 0.00 -0.36 0.00 0.00 55.97 55.01 2kpj s LYS 23 Cb -0.10 -0.86 -0.03 0.00 -1.51 0.00 0.00 37.83 35.33 2kpj s LYS 23 CO 0.83 0.21 0.89 0.95 -0.36 0.00 0.00 175.35 177.87 2kpj s THR 24 N -0.84 4.70 0.30 3.43 -4.23 -1.26 -4.69 115.64 113.06 2kpj s THR 24 Ca 0.01 0.44 -0.01 0.00 -1.18 0.00 0.00 61.69 60.95 2kpj s THR 24 Cb -0.08 -3.83 0.27 0.00 1.34 0.00 0.00 72.50 70.21 2kpj s THR 24 CO 0.01 -0.93 1.94 1.56 -0.54 0.00 0.00 174.62 176.66 2kpj h GLN 25 N -0.03 1.05 -0.11 3.99 4.20 -1.99 -2.00 115.11 120.22 2kpj h GLN 25 Ca -0.46 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.19 2kpj h GLN 25 Cb 1.20 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.74 2kpj h GLN 25 CO 0.62 0.69 0.07 -0.07 -0.67 0.00 0.00 178.83 179.47 2kpj h LEU 26 N 1.08 0.14 -1.34 1.46 3.38 -1.94 -0.21 115.31 117.87 2kpj h LEU 26 Ca 0.35 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 2kpj h LEU 26 Cb 0.05 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2kpj h LEU 26 CO -0.11 0.15 0.23 -0.33 0.09 0.00 0.00 178.44 178.47 2kpj h GLU 27 N 0.11 0.68 -0.03 1.13 4.39 -1.81 0.12 114.58 119.18 2kpj h GLU 27 Ca 0.04 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 2kpj h GLU 27 Cb 0.03 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 2kpj h GLU 27 CO -0.01 0.53 -0.21 0.82 -1.16 0.00 0.00 179.01 178.98 2kpj h ILE 28 N 0.68 1.50 -0.07 3.13 2.04 -1.16 -3.18 117.51 120.46 2kpj h ILE 28 Ca 0.17 -1.77 -0.02 0.00 1.00 0.00 0.00 64.86 64.24 2kpj h ILE 28 Cb 0.08 2.57 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 2kpj h ILE 28 CO -0.02 0.49 -0.04 0.00 0.00 0.00 0.00 178.15 178.57 2kpj h ALA 29 N 0.34 1.81 -0.84 1.87 0.00 -0.82 -2.14 119.26 119.48 2kpj h ALA 29 Ca -0.02 -0.08 0.08 0.00 0.00 0.00 0.00 54.91 54.89 2kpj h ALA 29 Cb 0.91 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.59 2kpj h ALA 29 CO 0.04 0.15 0.50 -0.22 0.00 0.00 0.00 179.25 179.72 2kpj h LYS 30 N 0.09 0.85 0.02 0.00 3.64 -0.74 0.18 116.57 120.62 2kpj h LYS 30 Ca 0.02 -0.05 -0.21 0.00 -1.27 0.00 0.00 60.65 59.14 2kpj h LYS 30 Cb 0.14 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2kpj h LYS 30 CO 0.01 0.56 -0.96 1.03 -2.27 0.00 0.00 179.45 177.82 2kpj h SER 31 N 0.87 0.23 -0.05 4.20 0.87 -1.40 -3.31 113.55 114.97 2kpj h SER 31 Ca 0.39 -0.21 -0.12 0.00 -1.23 0.00 0.00 61.79 60.61 2kpj h SER 31 Cb 0.27 -0.07 0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2kpj h SER 31 CO -0.21 1.06 -0.45 0.40 -0.53 0.00 0.00 176.83 177.10 2kpj h ILE 32 N 0.08 1.42 0.00 2.23 2.04 -1.15 -3.48 117.51 118.65 2kpj h ILE 32 Ca -0.05 -1.89 0.00 0.00 1.00 0.00 0.00 64.86 63.92 2kpj h ILE 32 Cb 1.63 2.42 0.00 0.00 -0.74 0.00 0.00 36.82 40.13 2kpj h ILE 32 CO 0.14 0.55 0.00 0.61 0.00 0.00 0.00 178.15 179.45 2kpj n GLY 33 N 0.85 1.01 3.21 5.37 0.00 0.58 -5.11 105.19 111.10 2kpj n GLY 33 Ca -0.09 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.80 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 0.96 0.37 1.61 -7.23 -1.03 -5.07 120.40 108.00 2kpj s VAL 34 Ca 0.00 -1.99 -0.25 0.00 -1.81 0.00 0.00 61.98 57.94 2kpj s VAL 34 Cb 0.00 -1.75 -0.10 0.00 0.56 0.00 0.00 36.38 35.09 2kpj s VAL 34 CO 0.00 -0.79 1.00 -0.44 -0.31 0.00 0.00 175.10 174.56 2kpj s SER 35 N -3.08 7.02 0.44 4.85 0.01 -1.26 -4.50 113.70 117.18 2kpj s SER 35 Ca 0.14 1.94 0.12 0.00 1.31 0.00 0.00 55.95 59.46 2kpj s SER 35 Cb 0.03 -2.58 1.00 0.00 0.21 0.00 0.00 66.02 64.69 2kpj s SER 35 CO -0.02 -0.30 2.03 1.55 0.41 0.00 0.00 173.24 176.91 2kpj h PRO 36 N 2.77 0.40 -0.09 12.44 0.13 -1.94 -0.72 132.00 144.98 2kpj h PRO 36 Ca -0.48 -0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 2kpj h PRO 36 Cb 1.20 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2kpj h PRO 36 CO 0.63 0.26 -0.28 1.96 -0.23 0.00 0.00 178.00 180.35 2kpj h GLN 37 N 0.41 0.17 0.00 0.86 4.20 -1.99 0.11 115.11 118.87 2kpj h GLN 37 Ca 0.20 -0.06 -0.20 0.00 0.06 0.00 0.00 58.65 58.66 2kpj h GLN 37 Cb 0.27 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 2kpj h GLN 37 CO -0.05 0.44 -0.93 1.15 -0.67 0.00 0.00 178.83 178.77 2kpj h THR 38 N 0.15 1.67 -0.15 -0.54 2.02 -1.55 -2.99 112.91 111.52 2kpj h THR 38 Ca 0.02 -3.19 -0.15 0.00 0.77 0.00 0.00 66.41 63.86 2kpj h THR 38 Cb 0.58 2.72 -0.01 0.00 -1.74 0.00 0.00 68.15 69.70 2kpj h THR 38 CO 0.04 0.91 -0.55 0.15 0.37 0.00 0.00 175.52 176.44 2kpj h PHE 39 N 0.00 0.58 -0.55 3.16 3.57 -0.89 -3.20 116.94 119.61 2kpj h PHE 39 Ca -0.01 -0.20 -0.04 0.00 3.53 0.00 0.00 57.97 61.24 2kpj h PHE 39 Cb 1.65 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 40.25 2kpj h PHE 39 CO 0.00 0.91 0.16 -0.97 -2.23 0.00 0.00 178.31 176.18 2kpj h ASN 40 N 0.35 0.76 -0.08 0.41 -1.24 -0.66 -0.25 115.58 114.86 2kpj h ASN 40 Ca 0.01 -0.12 -0.03 0.00 0.71 0.00 0.00 56.30 56.86 2kpj h ASN 40 Cb 1.08 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.92 2kpj h ASN 40 CO 0.10 0.73 -0.03 0.71 -1.29 0.00 0.00 177.43 177.65 2kpj h THR 41 N 0.80 1.14 -0.04 -3.57 1.35 -1.52 0.34 112.91 111.41 2kpj h THR 41 Ca 0.18 -0.57 -0.15 0.00 -0.55 0.00 0.00 66.41 65.32 2kpj h THR 41 Cb 0.25 1.03 0.01 0.00 -1.73 0.00 0.00 68.15 67.71 2kpj h THR 41 CO -0.01 0.19 -0.58 -0.50 -0.25 0.00 0.00 175.52 174.37 2kpj h TRP 42 N 0.28 0.65 0.00 4.73 6.55 -1.38 -0.08 115.95 126.70 2kpj h TRP 42 Ca 0.06 -0.33 -0.06 0.00 0.95 0.00 0.00 58.89 59.51 2kpj h TRP 42 Cb 0.24 -0.08 -0.01 0.00 -0.86 0.00 0.00 29.16 28.45 2kpj h TRP 42 CO 0.00 1.13 -0.30 0.00 -1.05 0.00 0.00 178.44 178.22 2kpj n LYS 44 N -3.95 0.99 -2.25 0.00 4.81 0.11 -4.88 118.16 113.00 2kpj n LYS 44 Ca -0.02 -0.37 -0.08 0.00 -0.87 0.00 0.00 58.31 56.97 2kpj n LYS 44 Cb 0.37 -1.49 0.00 0.00 0.02 0.00 0.00 35.03 33.93 2kpj n LYS 44 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kpj n GLY 45 N 1.20 0.07 0.12 3.14 0.00 -0.51 -4.94 105.19 104.27 2kpj n GLY 45 Ca 0.17 -0.51 -0.18 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.13 0.73 -3.37 -0.61 2.04 -1.21 -3.44 117.51 111.52 2kpj h ILE 46 Ca -0.20 -2.47 -0.04 0.00 1.00 0.00 0.00 64.86 63.15 2kpj h ILE 46 Cb 1.14 2.52 -0.11 0.00 -0.74 0.00 0.00 36.82 39.63 2kpj h ILE 46 CO 0.23 0.79 -0.02 0.00 0.00 0.00 0.00 178.15 179.14 2kpj s ALA 47 N -2.57 -0.88 -0.10 1.87 0.00 -1.14 -5.04 121.76 113.90 2kpj s ALA 47 Ca -0.17 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 51.59 2kpj s ALA 47 Cb 0.07 0.81 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 2kpj s ALA 47 CO 0.79 -0.74 -0.09 0.42 0.00 0.00 0.00 175.76 176.14 2kpj s ILE 48 N -3.86 3.42 1.10 0.00 1.01 -1.26 -4.19 121.20 117.43 2kpj s ILE 48 Ca 0.08 -0.55 -0.16 0.00 0.00 0.00 0.00 60.65 60.02 2kpj s ILE 48 Cb 0.00 -2.42 0.24 0.00 0.01 0.00 0.00 42.46 40.29 2kpj s ILE 48 CO -0.06 0.55 1.10 -2.16 0.00 0.00 0.00 174.94 174.38 2kpj s PRO 49 N -0.17 -0.40 0.75 2.79 0.04 -1.26 -5.02 135.00 131.72 2kpj s PRO 49 Ca 0.01 0.21 -0.11 0.00 0.04 0.00 0.00 61.00 61.15 2kpj s PRO 49 Cb -0.13 -1.67 0.05 0.00 0.04 0.00 0.00 34.50 32.79 2kpj s PRO 49 CO 0.03 -3.22 1.09 0.50 0.04 0.00 0.00 177.00 175.44 2kpj s ARG 50 N -5.19 2.38 0.23 4.56 3.52 -1.26 -4.68 118.95 118.51 2kpj s ARG 50 Ca 0.68 1.18 -0.07 0.00 -0.13 0.00 0.00 55.73 57.39 2kpj s ARG 50 Cb -0.14 -1.91 0.38 0.00 -1.56 0.00 0.00 34.95 31.71 2kpj s ARG 50 CO 0.57 -1.55 1.71 1.98 -0.81 0.00 0.00 175.30 177.20 2kpj h MET 51 N -0.93 0.31 -0.87 5.12 1.85 -1.99 0.51 114.93 118.93 2kpj h MET 51 Ca -0.44 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 58.62 2kpj h MET 51 Cb 1.23 -0.07 -0.04 0.00 0.43 0.00 0.00 31.60 33.15 2kpj h MET 51 CO 0.52 0.21 0.50 0.78 -0.40 0.00 0.00 176.91 178.52 2kpj h GLY 52 N 0.32 1.27 2.00 1.39 0.00 -1.99 -0.20 103.07 105.86 2kpj h GLY 52 Ca 0.37 -0.54 -0.13 0.00 0.00 0.00 0.00 47.33 47.02 2kpj h GLY 52 CO -0.42 0.52 -0.63 0.50 0.00 0.00 0.00 176.54 176.51 2kpj h LYS 53 N 1.20 0.00 -0.57 4.80 1.57 -1.40 -1.70 116.57 120.47 2kpj h LYS 53 Ca 0.31 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 59.01 2kpj h LYS 53 Cb -0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2kpj h LYS 53 CO -0.05 0.63 0.05 0.28 -0.57 0.00 0.00 179.45 179.79 2kpj h VAL 54 N 0.00 1.26 -0.41 0.50 2.07 -0.29 -2.22 116.25 117.16 2kpj h VAL 54 Ca -0.01 -1.05 -0.04 0.00 0.82 0.00 0.00 66.70 66.42 2kpj h VAL 54 Cb 1.16 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 2kpj h VAL 54 CO 0.08 0.38 0.08 1.56 0.02 0.00 0.00 177.57 179.70 2kpj h GLN 55 N 0.87 0.61 -0.45 1.57 1.08 -0.76 -1.68 115.11 116.33 2kpj h GLN 55 Ca 0.17 -0.11 -0.05 0.00 -1.45 0.00 0.00 58.65 57.21 2kpj h GLN 55 Cb 0.48 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.79 2kpj h GLN 55 CO 0.02 0.57 0.08 0.00 -0.95 0.00 0.00 178.83 178.54 2kpj h ALA 56 N 1.51 1.28 0.15 3.87 0.00 -0.96 0.33 119.26 125.44 2kpj h ALA 56 Ca 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2kpj h ALA 56 Cb 0.25 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.85 2kpj h ALA 56 CO -0.00 0.50 -0.07 -0.07 0.00 0.00 0.00 179.25 179.60 2kpj h LEU 57 N 0.67 -0.17 -1.12 0.00 3.38 -0.77 -1.98 115.31 115.32 2kpj h LEU 57 Ca 0.15 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2kpj h LEU 57 Cb 0.31 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2kpj h LEU 57 CO 0.00 0.08 0.09 0.00 0.09 0.00 0.00 178.44 178.71 2kpj h ALA 58 N 0.37 1.29 -0.39 1.53 0.00 -1.09 -2.67 119.26 118.31 2kpj h ALA 58 Ca -0.02 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2kpj h ALA 58 Cb 0.34 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2kpj h ALA 58 CO 0.03 0.49 0.24 0.22 0.00 0.00 0.00 179.25 180.24 2kpj h ASP 59 N 0.69 0.46 0.26 0.00 1.82 -0.28 0.28 116.42 119.65 2kpj h ASP 59 Ca 0.15 -0.05 -0.08 0.00 -0.39 0.00 0.00 57.03 56.66 2kpj h ASP 59 Cb 0.29 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.17 2kpj h ASP 59 CO 0.00 0.37 -0.34 0.22 -1.61 0.00 0.00 179.24 177.89 2kpj h TYR 60 N 0.51 0.13 -0.01 0.28 3.20 -1.03 -0.69 116.97 119.37 2kpj h TYR 60 Ca 0.14 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2kpj h TYR 60 Cb -0.01 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.23 2kpj h TYR 60 CO -0.04 0.45 -0.24 1.19 -1.64 0.00 0.00 178.16 177.88 2kpj n PHE 61 N -4.11 0.00 -3.42 -3.82 3.72 -1.06 -4.96 117.46 103.81 2kpj n PHE 61 Ca -0.02 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.21 2kpj n PHE 61 Cb 0.40 -0.13 0.08 0.00 -0.94 0.00 0.00 39.48 38.89 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 -0.68 -3.00 -1.57 4.37 5.15 0.11 -5.02 115.26 114.62 2kpj n ASN 62 Ca 0.12 -0.67 -0.03 0.00 -0.60 0.00 0.00 54.58 53.40 2kpj n ASN 62 Cb 0.34 -5.01 -0.01 0.00 -0.53 0.00 0.00 39.78 34.57 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 -3.95 0.00 -4.03 -1.44 -5.35 0.75 -5.01 119.36 100.33 2kpj n ILE 63 Ca -0.24 -0.37 -0.22 0.00 -0.27 0.00 0.00 62.75 61.65 2kpj n ILE 63 Cb 0.66 0.16 -0.03 0.00 -1.74 0.00 0.00 39.64 38.69 2kpj n ILE 63 CO 0.00 0.00 0.00 0.20 -1.76 0.00 0.00 176.55 174.99 2kpj s ASN 64 N -1.37 6.00 0.43 7.28 -0.87 -1.26 -4.35 114.94 120.79 2kpj s ASN 64 Ca 0.05 -0.06 0.16 0.00 -1.57 0.00 0.00 52.86 51.45 2kpj s ASN 64 Cb 0.00 -1.68 0.95 0.00 -0.02 0.00 0.00 41.25 40.51 2kpj s ASN 64 CO 0.03 -0.05 1.93 0.07 -2.57 0.00 0.00 177.10 176.51 2kpj h LYS 65 N 1.33 0.00 -0.05 -0.60 2.10 -1.93 -2.15 116.57 115.27 2kpj h LYS 65 Ca -0.51 0.00 0.01 0.00 -2.00 0.00 0.00 60.65 58.16 2kpj h LYS 65 Cb 1.23 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.56 2kpj h LYS 65 CO 0.61 0.26 0.05 0.77 -2.00 0.00 0.00 179.45 179.14 2kpj h SER 66 N 0.00 0.00 1.24 7.07 0.02 -1.97 0.42 113.55 120.33 2kpj h SER 66 Ca -0.00 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.87 2kpj h SER 66 Cb 0.49 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.02 2kpj h SER 66 CO 0.03 0.00 -0.37 0.44 -1.14 0.00 0.00 176.83 175.79 2kpj h ASP 67 N 0.00 0.00 0.05 3.07 3.32 -1.69 -2.50 116.42 118.66 2kpj h ASP 67 Ca 0.02 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.71 2kpj h ASP 67 Cb 0.13 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 2kpj h ASP 67 CO -0.00 0.37 -2.09 0.18 -1.72 0.00 0.00 179.24 175.98 2kpj n LEU 68 N -3.32 2.49 -0.04 1.55 4.77 0.03 -4.59 117.00 117.89 2kpj n LEU 68 Ca 0.01 0.17 -0.13 0.00 -0.03 0.00 0.00 56.01 56.03 2kpj n LEU 68 Cb 0.59 -0.99 -0.08 0.00 -2.33 0.00 0.00 43.42 40.62 2kpj n LEU 68 CO 0.37 0.73 0.59 0.40 -1.33 0.00 0.00 177.39 178.16 2kpj h ILE 69 N -0.31 1.37 -4.12 -0.08 1.08 -0.36 -3.38 117.51 111.71 2kpj h ILE 69 Ca -0.50 -1.31 -0.49 0.00 -0.39 0.00 0.00 64.86 62.16 2kpj h ILE 69 Cb 1.80 2.01 0.03 0.00 -3.07 0.00 0.00 36.82 37.59 2kpj h ILE 69 CO -0.10 0.37 0.33 -1.61 -0.69 0.00 0.00 178.15 176.46 2kpj s GLU 70 N -4.21 3.74 -0.11 2.37 8.01 -0.94 -4.67 118.70 122.88 2kpj s GLU 70 Ca -0.15 0.72 -0.15 0.00 0.01 0.00 0.00 54.97 55.41 2kpj s GLU 70 Cb 0.04 -2.17 -0.05 0.00 -4.31 0.00 0.00 34.13 27.64 2kpj s GLU 70 CO 0.73 -0.35 0.35 0.34 0.01 0.00 0.00 175.26 176.34 2kpj s ASP 71 N -3.65 6.57 0.00 -0.19 2.15 -1.26 -4.79 116.67 115.50 2kpj s ASP 71 Ca 0.55 0.67 0.26 0.00 0.43 0.00 0.00 52.55 54.46 2kpj s ASP 71 Cb -0.10 -2.21 0.59 0.00 -0.30 0.00 0.00 42.92 40.89 2kpj s ASP 71 CO 0.42 0.14 1.46 0.29 -0.17 0.00 0.00 175.17 177.32 2kpj n LYS 72 N 3.12 0.82 -0.05 4.34 5.02 -1.26 -3.12 118.16 127.04 2kpj n LYS 72 Ca -0.12 -0.53 0.10 0.00 -2.02 0.00 0.00 58.31 55.75 2kpj n LYS 72 Cb 0.52 -1.49 0.45 0.00 -0.02 0.00 0.00 35.03 34.49 2kpj n LYS 72 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2kpj n LYS 73 N -0.63 1.45 -3.09 1.97 4.81 -1.26 -4.40 118.16 117.02 2kpj n LYS 73 Ca 0.11 -0.68 -0.44 0.00 -0.87 0.00 0.00 58.31 56.43 2kpj n LYS 73 Cb 0.37 -1.36 -0.00 0.00 0.02 0.00 0.00 35.03 34.05 2kpj n LYS 73 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2kpj s LEU 74 N -1.59 5.53 -0.26 3.14 1.43 -1.18 -4.99 118.68 120.75 2kpj s LEU 74 Ca 0.31 -3.18 -0.28 0.00 -1.03 0.00 0.00 54.13 49.94 2kpj s LEU 74 Cb 0.16 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 44.01 2kpj s LEU 74 CO 0.25 -0.59 2.01 0.21 0.23 0.00 0.00 176.35 178.46 2kpj s ASN 75 N 2.31 5.70 0.24 2.29 3.84 -1.26 -4.90 114.94 123.15 2kpj s ASN 75 Ca 0.38 1.65 -0.31 0.00 0.21 0.00 0.00 52.86 54.78 2kpj s ASN 75 Cb -0.05 -2.52 -0.13 0.00 -0.55 0.00 0.00 41.25 38.00 2kpj s ASN 75 CO -0.03 -1.81 1.52 -0.38 -2.79 0.00 0.00 177.10 173.61 2kpj n ILE 76 N 7.52 0.72 -4.05 -5.21 2.08 -1.26 -4.96 119.36 114.21 2kpj n ILE 76 Ca 0.26 -0.18 -0.32 0.00 0.56 0.00 0.00 62.75 63.08 2kpj n ILE 76 Cb 0.46 -1.68 -0.15 0.00 -0.75 0.00 0.00 39.64 37.51 2kpj n ILE 76 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2kpj s ASP 77 N 0.54 4.10 0.96 4.38 2.15 -1.26 -5.11 116.67 122.43 2kpj s ASP 77 Ca 0.69 -1.23 -0.13 0.00 0.43 0.00 0.00 52.55 52.31 2kpj s ASP 77 Cb -0.59 -1.45 0.02 0.00 -0.30 0.00 0.00 42.92 40.60 2kpj s ASP 77 CO 0.46 -0.17 0.30 1.07 -0.17 0.00 0.00 175.17 176.65 2kpj n THR 78 N 4.52 0.00 -3.45 1.71 5.66 -1.26 -4.96 114.28 116.50 2kpj n THR 78 Ca -0.14 -0.22 -0.43 0.00 -3.05 0.00 0.00 64.05 60.21 2kpj n THR 78 Cb 0.44 -0.57 -0.04 0.00 -1.55 0.00 0.00 70.33 68.60 2kpj n THR 78 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kpj s VAL 79 N -2.36 5.08 0.91 1.08 0.11 -1.26 -5.07 120.40 118.89 2kpj s VAL 79 Ca 0.55 -2.81 -0.11 0.00 -2.93 0.00 0.00 61.98 56.68 2kpj s VAL 79 Cb -0.20 -4.16 0.14 0.00 -1.53 0.00 0.00 36.38 30.63 2kpj s VAL 79 CO 0.69 -1.01 1.09 -2.84 -3.33 0.00 0.00 175.10 169.70 2kpj s PRO 80 N -0.17 1.11 0.36 1.54 0.02 -1.26 -4.97 135.00 131.63 2kpj s PRO 80 Ca 0.20 1.01 -0.28 0.00 0.02 0.00 0.00 61.00 61.95 2kpj s PRO 80 Cb -0.12 -1.78 -0.10 0.00 0.02 0.00 0.00 34.50 32.51 2kpj s PRO 80 CO -0.08 -2.39 1.40 -1.50 -0.33 0.00 0.00 177.00 174.10 2kpj s ILE 81 N -2.82 2.35 0.47 2.83 2.07 -1.26 -5.01 121.20 119.83 2kpj s ILE 81 Ca 0.64 0.34 0.01 0.00 -1.41 0.00 0.00 60.65 60.23 2kpj s ILE 81 Cb -0.20 -3.22 0.00 0.00 0.13 0.00 0.00 42.46 39.18 2kpj s ILE 81 CO 0.58 0.08 0.69 -1.83 -1.91 0.00 0.00 174.94 172.55 2kpj s GLU 82 N -2.01 2.96 -0.26 3.50 4.04 -1.26 -5.08 118.70 120.58 2kpj s GLU 82 Ca 0.52 -0.56 -0.03 0.00 0.04 0.00 0.00 54.97 54.94 2kpj s GLU 82 Cb -0.43 -2.55 0.02 0.00 0.02 0.00 0.00 34.13 31.19 2kpj s GLU 82 CO 0.58 -0.36 -0.01 0.45 -1.84 0.00 0.00 175.26 174.08 2kpj s SER 83 N -4.26 4.59 0.00 0.83 0.15 -1.26 -4.89 113.70 108.86 2kpj s SER 83 Ca 0.50 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 56.32 2kpj s SER 83 Cb -0.10 -1.73 0.00 0.00 -1.71 0.00 0.00 66.02 62.48 2kpj s SER 83 CO 0.38 -0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.28 2kpj n GLY 84 N 4.73 1.42 2.85 9.45 0.00 -1.26 -4.12 105.19 118.26 2kpj n GLY 84 Ca -0.16 0.32 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 2kpj n GLY 84 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 2kpj s TYR 85 N 0.00 -0.58 -0.02 1.61 1.13 -1.26 -5.15 117.35 113.08 2kpj s TYR 85 Ca 0.00 0.58 0.04 0.00 -1.41 0.00 0.00 57.07 56.28 2kpj s TYR 85 Cb 0.00 -0.14 -0.01 0.00 -1.10 0.00 0.00 41.96 40.71 2kpj s TYR 85 CO 0.00 -0.66 -0.13 0.99 -2.51 0.00 0.00 175.55 173.25 2kpj s THR 86 N 2.45 1.02 -1.05 -3.49 2.01 -1.26 -5.07 115.64 110.25 2kpj s THR 86 Ca 0.10 -0.53 -0.23 0.00 0.31 0.00 0.00 61.69 61.34 2kpj s THR 86 Cb -0.15 -0.87 0.02 0.00 0.01 0.00 0.00 72.50 71.50 2kpj s THR 86 CO -0.14 0.30 1.66 -0.76 -0.69 0.00 0.00 174.62 174.99 2kpj s LEU 87 N -0.12 3.44 0.00 4.42 1.43 -1.26 -4.92 118.68 121.66 2kpj s LEU 87 Ca 0.02 -1.44 0.00 0.00 -1.03 0.00 0.00 54.13 51.68 2kpj s LEU 87 Cb -0.07 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.58 2kpj s LEU 87 CO 0.00 -1.89 0.00 -1.84 0.23 0.00 0.00 176.35 172.85 2kpj n GLU 88 N 8.75 2.49 -3.85 1.70 -0.00 -1.26 -5.13 120.64 123.34 2kpj n GLU 88 Ca 0.38 0.00 -0.28 0.00 -0.00 0.00 0.00 57.16 57.26 2kpj n GLU 88 Cb 0.49 0.00 -0.16 0.00 -0.00 0.00 0.00 31.44 31.76 2kpj n GLU 88 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2kpj s HIS 89 N 1.18 1.59 -0.33 -1.84 2.46 -1.26 -5.09 115.29 112.00 2kpj s HIS 89 Ca 0.00 -1.11 -0.20 0.00 0.47 0.00 0.00 55.06 54.22 2kpj s HIS 89 Cb 0.00 -1.26 -0.01 0.00 -0.13 0.00 0.00 32.58 31.19 2kpj s HIS 89 CO 0.00 -0.63 0.62 -1.01 -2.47 0.00 0.00 174.74 171.25 2kpj s HIS 90 N 1.67 3.19 -0.33 3.88 3.76 -1.26 -4.97 115.29 121.22 2kpj s HIS 90 Ca -0.01 0.47 -0.00 0.00 -0.15 0.00 0.00 55.06 55.36 2kpj s HIS 90 Cb -0.16 -3.03 0.11 0.00 1.11 0.00 0.00 32.58 30.60 2kpj s HIS 90 CO -0.07 -0.53 0.13 -1.58 -0.85 0.00 0.00 174.74 171.83 2kpj s HIS 91 N 2.62 1.65 0.18 1.40 2.46 -1.26 -5.12 115.29 117.22 2kpj s HIS 91 Ca 0.24 -1.81 -0.17 0.00 0.47 0.00 0.00 55.06 53.80 2kpj s HIS 91 Cb -0.15 -1.67 -0.07 0.00 -0.13 0.00 0.00 32.58 30.55 2kpj s HIS 91 CO 0.13 -0.86 0.62 -1.58 -2.47 0.00 0.00 174.74 170.58 2kpj s HIS 92 N 1.42 3.63 -0.12 3.88 2.46 -1.26 -4.96 115.29 120.34 2kpj s HIS 92 Ca 0.11 1.20 0.01 0.00 0.47 0.00 0.00 55.06 56.85 2kpj s HIS 92 Cb -0.19 -2.48 0.10 0.00 -0.13 0.00 0.00 32.58 29.89 2kpj s HIS 92 CO -0.20 0.39 1.11 1.58 -2.47 0.00 0.00 174.74 175.14 2kpj n HIS 93 N 0.78 0.44 -0.76 3.88 -0.00 -1.26 -5.35 115.22 112.96 2kpj n HIS 93 Ca -0.04 -0.66 0.00 0.00 0.46 0.00 0.00 57.72 57.48 2kpj n HIS 93 Cb 0.51 -0.34 0.00 0.00 -0.12 0.00 0.00 29.99 30.04 2kpj n HIS 93 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38