#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kpj n VAL 2 N 0.00 0.00 -1.02 2.03 0.31 -1.26 -4.91 118.33 113.49 2kpj n VAL 2 Ca 0.00 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.47 2kpj n VAL 2 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 2kpj n VAL 2 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 2kpj n LYS 3 N 0.00 -2.09 -2.62 5.55 4.81 -1.26 -4.92 118.16 117.62 2kpj n LYS 3 Ca 0.00 1.44 -0.14 0.00 -0.87 0.00 0.00 58.31 58.74 2kpj n LYS 3 Cb 0.00 -2.53 0.02 0.00 0.02 0.00 0.00 35.03 32.53 2kpj n LYS 3 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2kpj n ASP 4 N -3.43 -4.33 0.21 3.14 2.03 -1.26 -4.89 116.55 108.01 2kpj n ASP 4 Ca -0.00 -0.14 0.08 0.00 0.52 0.00 0.00 54.79 55.24 2kpj n ASP 4 Cb 0.47 -3.28 0.42 0.00 -0.72 0.00 0.00 41.12 38.00 2kpj n ASP 4 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2kpj h LYS 5 N -0.68 0.00 -0.74 -0.67 3.64 -1.95 -3.28 116.57 112.89 2kpj h LYS 5 Ca -0.33 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.07 2kpj h LYS 5 Cb 1.23 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.01 2kpj h LYS 5 CO 0.36 0.29 0.49 0.37 -2.27 0.00 0.00 179.45 178.69 2kpj h GLN 6 N 0.00 0.95 -0.47 1.90 5.75 -1.97 -2.48 115.11 118.79 2kpj h GLN 6 Ca -0.00 -0.06 -0.07 0.00 -0.15 0.00 0.00 58.65 58.37 2kpj h GLN 6 Cb 0.78 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 29.10 2kpj h GLN 6 CO 0.04 0.63 -0.00 1.57 -2.65 0.00 0.00 178.83 178.41 2kpj h LYS 7 N 0.98 0.78 -0.69 1.69 2.10 -1.87 -2.31 116.57 117.25 2kpj h LYS 7 Ca 0.28 -0.21 0.05 0.00 -2.00 0.00 0.00 60.65 58.77 2kpj h LYS 7 Cb -0.07 -0.09 -0.05 0.00 -0.90 0.00 0.00 32.23 31.11 2kpj h LYS 7 CO -0.08 0.79 0.40 0.00 -2.00 0.00 0.00 179.45 178.56 2kpj h ALA 8 N 1.26 0.92 0.08 0.07 0.00 -1.63 0.23 119.26 120.20 2kpj h ALA 8 Ca 0.14 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2kpj h ALA 8 Cb 0.45 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.09 2kpj h ALA 8 CO 0.02 0.09 -0.04 0.82 0.00 0.00 0.00 179.25 180.14 2kpj h ILE 9 N 0.74 1.11 -0.26 0.00 2.04 -1.39 -1.54 117.51 118.21 2kpj h ILE 9 Ca 0.30 -0.73 0.05 0.00 1.00 0.00 0.00 64.86 65.48 2kpj h ILE 9 Cb 0.16 1.58 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 2kpj h ILE 9 CO -0.17 0.18 -0.01 0.15 0.00 0.00 0.00 178.15 178.30 2kpj h PHE 10 N -0.45 -0.03 0.16 1.37 3.57 -1.07 -0.68 116.94 119.81 2kpj h PHE 10 Ca -0.01 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 2kpj h PHE 10 Cb 0.38 0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.18 2kpj h PHE 10 CO 0.04 -0.05 -0.08 1.03 -2.23 0.00 0.00 178.31 177.02 2kpj h SER 11 N 0.06 -0.18 -0.48 0.41 0.87 -0.60 -0.59 113.55 113.05 2kpj h SER 11 Ca 0.12 -0.05 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 2kpj h SER 11 Cb 0.16 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.15 2kpj h SER 11 CO -0.22 -0.07 0.18 -0.08 -0.53 0.00 0.00 176.83 176.12 2kpj h GLU 12 N -0.28 0.78 0.22 2.24 4.57 -0.98 0.17 114.58 121.29 2kpj h GLU 12 Ca -0.02 -0.13 -0.01 0.00 -1.18 0.00 0.00 59.36 58.02 2kpj h GLU 12 Cb 0.22 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2kpj h GLU 12 CO 0.04 0.66 -0.11 -0.91 -1.18 0.00 0.00 179.01 177.51 2kpj h ASN 13 N 0.76 -0.25 -0.40 1.04 4.21 -1.05 -3.20 115.58 116.69 2kpj h ASN 13 Ca 0.18 -0.26 -0.01 0.00 1.21 0.00 0.00 56.30 57.42 2kpj h ASN 13 Cb 0.20 0.06 -0.02 0.00 -1.12 0.00 0.00 38.32 37.45 2kpj h ASN 13 CO -0.01 0.27 0.23 0.25 -1.29 0.00 0.00 177.43 176.87 2kpj h LEU 14 N -0.92 0.50 -1.11 1.61 5.85 -0.94 -2.86 115.31 117.44 2kpj h LEU 14 Ca -0.03 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.65 2kpj h LEU 14 Cb 0.49 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.34 2kpj h LEU 14 CO 0.05 0.44 0.60 -1.13 -0.34 0.00 0.00 178.44 178.06 2kpj h ASN 15 N 0.52 0.98 -0.49 1.25 -0.73 -0.80 -1.38 115.58 114.93 2kpj h ASN 15 Ca 0.14 -0.01 -0.01 0.00 1.87 0.00 0.00 56.30 58.29 2kpj h ASN 15 Cb 0.05 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.40 2kpj h ASN 15 CO -0.02 0.66 0.25 0.28 -0.37 0.00 0.00 177.43 178.23 2kpj h SER 16 N 1.13 0.63 0.37 1.15 0.02 -1.49 -1.52 113.55 113.83 2kpj h SER 16 Ca 0.37 -0.11 -0.12 0.00 -0.84 0.00 0.00 61.79 61.09 2kpj h SER 16 Cb 0.06 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 2kpj h SER 16 CO -0.12 0.56 -0.52 1.88 -1.14 0.00 0.00 176.83 177.49 2kpj h TYR 17 N 0.64 0.21 -0.76 3.45 0.05 -1.28 -0.10 116.97 119.19 2kpj h TYR 17 Ca 0.17 -0.07 -0.06 0.00 0.05 0.00 0.00 58.73 58.82 2kpj h TYR 17 Cb 0.09 -0.04 -0.03 0.00 1.01 0.00 0.00 36.73 37.76 2kpj h TYR 17 CO -0.01 0.65 0.25 0.82 -1.05 0.00 0.00 178.16 178.83 2kpj h ILE 18 N 0.13 1.26 -0.07 -2.88 2.04 -0.91 -0.73 117.51 116.35 2kpj h ILE 18 Ca 0.00 -0.89 -0.22 0.00 1.00 0.00 0.00 64.86 64.76 2kpj h ILE 18 Cb 0.96 0.41 0.01 0.00 -0.74 0.00 0.00 36.82 37.46 2kpj h ILE 18 CO 0.08 0.35 -0.85 0.00 0.00 0.00 0.00 178.15 177.73 2kpj h ALA 19 N 1.13 0.39 -0.09 1.87 0.00 -0.92 -1.98 119.26 119.66 2kpj h ALA 19 Ca 0.25 -0.65 -0.16 0.00 0.00 0.00 0.00 54.91 54.35 2kpj h ALA 19 Cb 0.28 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2kpj h ALA 19 CO -0.01 0.74 -0.63 0.87 0.00 0.00 0.00 179.25 180.22 2kpj h LYS 20 N 0.35 0.34 0.00 0.00 1.57 -0.87 -2.49 116.57 115.47 2kpj h LYS 20 Ca -0.06 -0.24 -0.11 0.00 -1.87 0.00 0.00 60.65 58.36 2kpj h LYS 20 Cb 1.46 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 33.80 2kpj h LYS 20 CO 0.16 0.86 -0.52 0.66 -0.57 0.00 0.00 179.45 180.04 2kpj h SER 21 N 0.25 0.00 -2.82 0.86 4.64 -1.19 -3.47 113.55 111.81 2kpj h SER 21 Ca -0.01 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.94 2kpj h SER 21 Cb 1.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.25 2kpj h SER 21 CO 0.10 0.52 -0.48 1.21 -0.87 0.00 0.00 176.83 177.31 2kpj n GLU 22 N -3.42 -1.90 -3.61 4.77 2.13 -0.75 -4.99 120.64 112.88 2kpj n GLU 22 Ca 0.00 0.88 -0.31 0.00 0.66 0.00 0.00 57.16 58.39 2kpj n GLU 22 Cb 0.65 -5.41 -0.05 0.00 0.27 0.00 0.00 31.44 26.90 2kpj n GLU 22 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2kpj s LYS 23 N -5.01 3.65 0.40 5.31 1.02 -1.23 -5.06 119.74 118.82 2kpj s LYS 23 Ca 0.04 -0.02 -0.24 0.00 0.02 0.00 0.00 55.97 55.77 2kpj s LYS 23 Cb -0.02 -2.80 -0.09 0.00 -0.52 0.00 0.00 37.83 34.40 2kpj s LYS 23 CO 0.05 0.42 1.04 0.95 -0.92 0.00 0.00 175.35 176.89 2kpj s THR 24 N -1.72 3.79 0.29 2.17 -4.23 -1.26 -4.86 115.64 109.83 2kpj s THR 24 Ca 0.42 1.35 -0.02 0.00 -1.18 0.00 0.00 61.69 62.27 2kpj s THR 24 Cb -0.12 -3.69 0.27 0.00 1.34 0.00 0.00 72.50 70.30 2kpj s THR 24 CO 0.24 -0.01 1.94 1.56 -0.54 0.00 0.00 174.62 177.80 2kpj h GLN 25 N 2.46 1.10 -0.42 3.99 4.20 -1.97 -0.22 115.11 124.25 2kpj h GLN 25 Ca -0.48 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.14 2kpj h GLN 25 Cb 1.21 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 28.72 2kpj h GLN 25 CO 0.62 0.73 0.19 1.25 -0.67 0.00 0.00 178.83 180.95 2kpj h LEU 26 N 1.13 0.56 0.20 1.46 6.46 -1.92 -0.40 115.31 122.80 2kpj h LEU 26 Ca 0.35 -0.14 -0.01 0.00 -0.12 0.00 0.00 57.88 57.96 2kpj h LEU 26 Cb 0.01 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 39.79 2kpj h LEU 26 CO -0.10 0.55 -0.09 -0.08 -0.62 0.00 0.00 178.44 178.09 2kpj h GLU 27 N 0.54 -0.25 -0.68 1.25 4.22 -1.71 -2.75 114.58 115.20 2kpj h GLU 27 Ca 0.14 0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.53 2kpj h GLU 27 Cb 0.14 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2kpj h GLU 27 CO -0.02 -0.12 0.15 0.82 -2.18 0.00 0.00 179.01 177.66 2kpj h ILE 28 N -0.33 1.26 -0.76 2.32 2.04 -1.04 -2.94 117.51 118.06 2kpj h ILE 28 Ca -0.03 -0.99 0.09 0.00 1.00 0.00 0.00 64.86 64.93 2kpj h ILE 28 Cb 0.26 0.59 -0.07 0.00 -0.74 0.00 0.00 36.82 36.86 2kpj h ILE 28 CO 0.04 0.38 0.42 0.00 0.00 0.00 0.00 178.15 178.99 2kpj h ALA 29 N 1.07 1.05 -0.54 1.87 0.00 -0.96 -0.27 119.26 121.49 2kpj h ALA 29 Ca 0.21 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 2kpj h ALA 29 Cb 0.40 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2kpj h ALA 29 CO 0.01 0.05 0.14 0.87 0.00 0.00 0.00 179.25 180.32 2kpj h LYS 30 N 0.72 0.85 0.00 0.00 1.57 -1.32 0.10 116.57 118.49 2kpj h LYS 30 Ca 0.36 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 2kpj h LYS 30 Cb 0.32 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 2kpj h LYS 30 CO -0.24 0.80 -0.31 0.77 -0.57 0.00 0.00 179.45 179.90 2kpj h SER 31 N 0.75 0.00 -0.05 0.86 0.02 -1.21 -2.70 113.55 111.22 2kpj h SER 31 Ca 0.17 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 60.96 2kpj h SER 31 Cb 0.32 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.87 2kpj h SER 31 CO -0.00 0.31 -0.58 0.40 -1.14 0.00 0.00 176.83 175.82 2kpj h ILE 32 N 0.00 1.38 0.00 3.27 1.08 -0.61 -3.48 117.51 119.15 2kpj h ILE 32 Ca -0.00 -1.96 0.00 0.00 -0.39 0.00 0.00 64.86 62.51 2kpj h ILE 32 Cb 0.56 2.37 0.00 0.00 -3.07 0.00 0.00 36.82 36.67 2kpj h ILE 32 CO 0.04 0.58 0.00 0.61 -0.69 0.00 0.00 178.15 178.69 2kpj n GLY 33 N 0.88 1.91 3.54 5.37 0.00 0.20 -5.00 105.19 112.08 2kpj n GLY 33 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 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 1.08 0.43 1.61 -7.23 -0.31 -5.01 120.40 108.97 2kpj s VAL 34 Ca 0.00 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.06 2kpj s VAL 34 Cb 0.00 -2.58 -0.06 0.00 0.56 0.00 0.00 36.38 34.30 2kpj s VAL 34 CO 0.00 0.00 0.81 -0.44 -0.31 0.00 0.00 175.10 175.16 2kpj s SER 35 N -3.61 6.51 0.53 4.85 0.01 -1.26 -3.64 113.70 117.10 2kpj s SER 35 Ca 0.28 1.20 0.22 0.00 1.31 0.00 0.00 55.95 58.95 2kpj s SER 35 Cb 0.06 -2.35 1.35 0.00 0.21 0.00 0.00 66.02 65.29 2kpj s SER 35 CO 0.14 -0.45 2.06 1.55 0.41 0.00 0.00 173.24 176.94 2kpj h PRO 36 N 1.09 0.00 -0.61 12.44 0.13 -1.86 -0.56 132.00 142.64 2kpj h PRO 36 Ca -0.47 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 2kpj h PRO 36 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 2kpj h PRO 36 CO 0.63 0.00 0.02 0.37 -0.23 0.00 0.00 178.00 178.79 2kpj h GLN 37 N 0.00 1.06 -0.25 0.86 4.15 -1.95 0.23 115.11 119.21 2kpj h GLN 37 Ca 0.15 -0.33 -0.15 0.00 0.77 0.00 0.00 58.65 59.09 2kpj h GLN 37 Cb 0.61 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 28.20 2kpj h GLN 37 CO -0.00 1.03 -0.47 1.15 -1.93 0.00 0.00 178.83 178.60 2kpj h THR 38 N 0.96 1.30 -0.20 2.39 2.02 -1.51 -2.07 112.91 115.79 2kpj h THR 38 Ca 0.17 -1.68 -0.12 0.00 0.77 0.00 0.00 66.41 65.56 2kpj h THR 38 Cb 0.54 1.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.56 2kpj h THR 38 CO 0.03 0.53 -0.38 0.15 0.37 0.00 0.00 175.52 176.22 2kpj h PHE 39 N 0.52 0.54 -0.61 3.16 3.57 -1.10 -2.72 116.94 120.31 2kpj h PHE 39 Ca 0.03 -0.15 -0.06 0.00 3.53 0.00 0.00 57.97 61.32 2kpj h PHE 39 Cb 1.02 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 2kpj h PHE 39 CO 0.05 0.78 0.12 -0.97 -2.23 0.00 0.00 178.31 176.06 2kpj h ASN 40 N 0.38 0.92 0.86 0.41 -1.24 -0.17 -0.72 115.58 116.02 2kpj h ASN 40 Ca 0.04 -0.19 -0.03 0.00 0.71 0.00 0.00 56.30 56.83 2kpj h ASN 40 Cb 0.85 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 39.65 2kpj h ASN 40 CO 0.07 0.91 -0.13 0.71 -1.29 0.00 0.00 177.43 177.69 2kpj h THR 41 N 0.92 0.36 0.06 -3.57 1.35 -1.17 -0.45 112.91 110.42 2kpj h THR 41 Ca 0.19 -0.82 -0.26 0.00 -0.55 0.00 0.00 66.41 64.97 2kpj h THR 41 Cb 0.37 1.61 0.02 0.00 -1.73 0.00 0.00 68.15 68.42 2kpj h THR 41 CO 0.00 0.13 -1.06 -0.50 -0.25 0.00 0.00 175.52 173.85 2kpj h TRP 42 N 0.00 0.94 -0.54 4.73 6.55 -1.01 0.42 115.95 127.04 2kpj h TRP 42 Ca -0.00 -0.56 -0.07 0.00 0.95 0.00 0.00 58.89 59.21 2kpj h TRP 42 Cb 0.60 -0.09 -0.02 0.00 -0.86 0.00 0.00 29.16 28.79 2kpj h TRP 42 CO 0.00 1.40 0.05 0.00 -1.05 0.00 0.00 178.44 178.84 2kpj h LYS 44 N 0.83 0.00 -3.29 0.00 1.79 -1.13 -3.46 116.57 111.30 2kpj h LYS 44 Ca 0.17 0.00 -0.20 0.00 -2.18 0.00 0.00 60.65 58.43 2kpj h LYS 44 Cb 0.42 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.13 2kpj h LYS 44 CO 0.01 0.00 -0.34 0.41 -1.08 0.00 0.00 179.45 178.46 2kpj n GLY 45 N 0.13 0.18 0.14 3.86 0.00 -0.27 -4.96 105.19 104.26 2kpj n GLY 45 Ca 0.01 -0.22 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.26 0.94 -3.93 -0.61 2.04 -0.42 -3.44 117.51 110.84 2kpj h ILE 46 Ca -0.29 -2.50 -0.20 0.00 1.00 0.00 0.00 64.86 62.88 2kpj h ILE 46 Cb 1.19 2.76 -0.23 0.00 -0.74 0.00 0.00 36.82 39.80 2kpj h ILE 46 CO 0.28 0.85 -0.71 0.00 0.00 0.00 0.00 178.15 178.57 2kpj s ALA 47 N -2.57 0.14 -0.18 1.87 0.00 -1.22 -5.07 121.76 114.74 2kpj s ALA 47 Ca -0.16 -0.47 -0.03 0.00 0.00 0.00 0.00 51.96 51.29 2kpj s ALA 47 Cb 0.05 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 2kpj s ALA 47 CO 0.85 -0.11 -0.07 0.42 0.00 0.00 0.00 175.76 176.85 2kpj s ILE 48 N -1.12 3.42 1.01 0.00 1.09 -1.26 -4.50 121.20 119.84 2kpj s ILE 48 Ca -0.12 -0.50 -0.15 0.00 -1.10 0.00 0.00 60.65 58.77 2kpj s ILE 48 Cb -0.08 -2.51 0.20 0.00 -1.06 0.00 0.00 42.46 39.01 2kpj s ILE 48 CO -0.01 0.47 1.19 -2.16 -0.10 0.00 0.00 174.94 174.33 2kpj s PRO 49 N 0.89 0.33 0.00 2.79 0.04 -1.26 -5.10 135.00 132.69 2kpj s PRO 49 Ca -0.01 -0.03 0.00 0.00 0.04 0.00 0.00 61.00 61.00 2kpj s PRO 49 Cb -0.15 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2kpj s PRO 49 CO 0.01 -2.68 0.00 0.54 0.04 0.00 0.00 177.00 174.91 2kpj n ARG 50 N -4.04 1.38 -0.21 4.56 1.74 -1.26 -4.72 116.66 114.11 2kpj n ARG 50 Ca 0.11 0.00 0.02 0.00 -0.77 0.00 0.00 57.85 57.21 2kpj n ARG 50 Cb 0.59 0.00 0.12 0.00 -1.02 0.00 0.00 32.46 32.16 2kpj n ARG 50 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 2kpj h MET 51 N 0.00 0.20 -0.43 5.56 -1.53 -1.98 0.10 114.93 116.85 2kpj h MET 51 Ca 0.00 -0.01 0.01 0.00 -3.44 0.00 0.00 59.70 56.26 2kpj h MET 51 Cb 0.00 -0.05 -0.02 0.00 -0.55 0.00 0.00 31.60 30.98 2kpj h MET 51 CO 0.00 0.13 0.28 0.78 0.14 0.00 0.00 176.91 178.25 2kpj h GLY 52 N 0.21 0.58 0.59 1.39 0.00 -1.99 0.78 103.07 104.62 2kpj h GLY 52 Ca 0.34 -0.21 -0.34 0.00 0.00 0.00 0.00 47.33 47.11 2kpj h GLY 52 CO -0.47 0.20 -2.00 0.28 0.00 0.00 0.00 176.54 174.55 2kpj n LYS 53 N -4.47 0.69 -0.18 4.80 4.01 -0.39 -3.33 118.16 119.28 2kpj n LYS 53 Ca 0.04 0.22 -0.09 0.00 -0.51 0.00 0.00 58.31 57.97 2kpj n LYS 53 Cb 0.08 -1.69 0.01 0.00 -0.51 0.00 0.00 35.03 32.92 2kpj n LYS 53 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2kpj h VAL 54 N 0.03 1.24 -0.71 -0.18 2.07 -0.60 -0.95 116.25 117.15 2kpj h VAL 54 Ca -0.41 -0.86 -0.05 0.00 0.82 0.00 0.00 66.70 66.20 2kpj h VAL 54 Cb 2.04 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.59 2kpj h VAL 54 CO 0.05 0.31 0.25 -0.61 0.02 0.00 0.00 177.57 177.60 2kpj h GLN 55 N 0.72 1.07 -0.67 1.57 -0.00 -1.01 0.10 115.11 116.89 2kpj h GLN 55 Ca 0.16 -0.20 -0.07 0.00 -0.00 0.00 0.00 58.65 58.54 2kpj h GLN 55 Cb 0.34 -0.17 -0.03 0.00 0.00 0.00 0.00 27.48 27.62 2kpj h GLN 55 CO 0.00 0.89 0.14 0.00 0.00 0.00 0.00 178.83 179.86 2kpj h ALA 56 N 1.23 0.89 0.01 3.38 0.00 -1.49 0.16 119.26 123.44 2kpj h ALA 56 Ca 0.23 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 2kpj h ALA 56 Cb 0.24 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kpj h ALA 56 CO -0.01 0.63 -0.00 -0.07 0.00 0.00 0.00 179.25 179.79 2kpj h LEU 57 N 1.02 -0.01 -0.64 0.00 3.38 -0.73 -1.41 115.31 116.92 2kpj h LEU 57 Ca 0.21 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.97 2kpj h LEU 57 Cb 0.40 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 2kpj h LEU 57 CO 0.01 0.23 0.39 0.00 0.09 0.00 0.00 178.44 179.16 2kpj h ALA 58 N 0.73 0.84 -0.61 1.53 0.00 -0.58 -1.37 119.26 119.80 2kpj h ALA 58 Ca -0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2kpj h ALA 58 Cb 0.25 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2kpj h ALA 58 CO 0.00 0.13 0.20 0.22 0.00 0.00 0.00 179.25 179.80 2kpj h ASP 59 N 0.76 0.88 -0.03 0.00 3.58 -0.67 0.35 116.42 121.28 2kpj h ASP 59 Ca 0.26 -0.20 -0.07 0.00 0.42 0.00 0.00 57.03 57.45 2kpj h ASP 59 Cb 0.05 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 40.86 2kpj h ASP 59 CO -0.12 0.84 -0.16 0.22 -2.88 0.00 0.00 179.24 177.15 2kpj h TYR 60 N 0.86 0.39 -0.44 0.28 3.20 -0.62 -2.06 116.97 118.58 2kpj h TYR 60 Ca 0.20 -0.06 0.00 0.00 3.14 0.00 0.00 58.73 62.01 2kpj h TYR 60 Cb 0.27 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.44 2kpj h TYR 60 CO 0.02 0.52 0.00 1.19 -1.64 0.00 0.00 178.16 178.25 2kpj n PHE 61 N -4.21 0.57 -3.51 -3.82 3.72 -0.57 -4.97 117.46 104.67 2kpj n PHE 61 Ca -0.00 -0.29 -0.20 0.00 -0.05 0.00 0.00 57.45 56.91 2kpj n PHE 61 Cb 0.32 -0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.92 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 1.52 -3.61 -1.51 4.37 2.85 -0.03 -5.01 115.26 113.83 2kpj n ASN 62 Ca 0.20 -0.77 -0.03 0.00 -0.11 0.00 0.00 54.58 53.86 2kpj n ASN 62 Cb 0.61 -4.53 -0.01 0.00 1.24 0.00 0.00 39.78 37.09 2kpj n ASN 62 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 2kpj n ILE 63 N -3.92 0.00 -3.80 -1.44 -5.35 0.10 -5.02 119.36 99.94 2kpj n ILE 63 Ca -0.20 -0.36 -0.20 0.00 -0.27 0.00 0.00 62.75 61.72 2kpj n ILE 63 Cb 0.65 0.16 -0.02 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 -1.36 6.09 0.47 7.28 0.01 -1.26 -4.34 114.94 121.83 2kpj s ASN 64 Ca 0.05 -0.07 0.12 0.00 -0.71 0.00 0.00 52.86 52.25 2kpj s ASN 64 Cb 0.00 -1.56 1.10 0.00 0.41 0.00 0.00 41.25 41.20 2kpj s ASN 64 CO 0.04 -0.21 2.11 0.07 -1.51 0.00 0.00 177.10 177.59 2kpj h LYS 65 N 1.10 0.21 0.00 -0.60 2.10 -1.93 -2.23 116.57 115.21 2kpj h LYS 65 Ca -0.49 -0.01 -0.01 0.00 -2.00 0.00 0.00 60.65 58.13 2kpj h LYS 65 Cb 1.24 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 32.52 2kpj h LYS 65 CO 0.58 0.15 -0.05 0.66 -2.00 0.00 0.00 179.45 178.79 2kpj h SER 66 N 0.21 0.00 0.59 7.07 4.64 -1.97 -2.87 113.55 121.22 2kpj h SER 66 Ca 0.06 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.34 2kpj h SER 66 Cb -0.01 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2kpj h SER 66 CO -0.01 0.05 -0.18 0.44 -0.87 0.00 0.00 176.83 176.26 2kpj h ASP 67 N 0.00 0.00 0.68 4.97 5.19 -1.70 0.12 116.42 125.68 2kpj h ASP 67 Ca -0.00 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 56.39 2kpj h ASP 67 Cb 0.67 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.18 2kpj h ASP 67 CO 0.01 0.18 -1.34 0.18 -3.12 0.00 0.00 179.24 175.15 2kpj n LEU 68 N -3.56 0.60 -0.10 1.55 4.77 -1.09 -4.45 117.00 114.73 2kpj n LEU 68 Ca -0.01 0.24 -0.23 0.00 -0.03 0.00 0.00 56.01 55.98 2kpj n LEU 68 Cb 0.33 -0.02 -0.12 0.00 -2.33 0.00 0.00 43.42 41.28 2kpj n LEU 68 CO 0.32 -0.10 -0.62 -0.38 -1.33 0.00 0.00 177.39 175.28 2kpj n ILE 69 N -2.58 1.55 -2.72 -0.08 2.08 -0.91 -4.02 119.36 112.68 2kpj n ILE 69 Ca -0.02 -0.10 -0.26 0.00 0.56 0.00 0.00 62.75 62.93 2kpj n ILE 69 Cb 0.59 -2.01 0.01 0.00 -0.75 0.00 0.00 39.64 37.49 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 -2.39 3.21 0.56 0.38 0.41 0.38 -4.78 118.70 116.46 2kpj s GLU 70 Ca -0.29 -0.10 -0.13 0.00 -0.41 0.00 0.00 54.97 54.04 2kpj s GLU 70 Cb 0.07 -2.42 -0.06 0.00 -1.78 0.00 0.00 34.13 29.94 2kpj s GLU 70 CO 0.59 -0.35 0.98 0.34 -0.49 0.00 0.00 175.26 176.34 2kpj s ASP 71 N -4.19 6.40 -0.01 -0.19 -1.08 -1.26 -4.76 116.67 111.56 2kpj s ASP 71 Ca 0.49 1.43 0.04 0.00 -0.52 0.00 0.00 52.55 53.99 2kpj s ASP 71 Cb -0.10 -2.46 0.14 0.00 -1.46 0.00 0.00 42.92 39.03 2kpj s ASP 71 CO 0.42 -0.72 1.00 2.29 0.52 0.00 0.00 175.17 178.68 2kpj n LYS 72 N -2.19 1.46 -0.60 4.34 2.85 -1.26 -3.50 118.16 119.25 2kpj n LYS 72 Ca 0.06 -0.54 0.01 0.00 -1.05 0.00 0.00 58.31 56.79 2kpj n LYS 72 Cb 0.54 -1.27 0.23 0.00 -0.65 0.00 0.00 35.03 33.88 2kpj n LYS 72 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2kpj n LYS 73 N -0.02 3.19 -2.49 -1.58 4.81 -1.26 -4.86 118.16 115.94 2kpj n LYS 73 Ca 0.05 -1.96 -0.39 0.00 -0.87 0.00 0.00 58.31 55.13 2kpj n LYS 73 Cb 0.21 -1.95 -0.03 0.00 0.02 0.00 0.00 35.03 33.29 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 -1.78 3.49 -0.59 3.14 1.43 -1.23 -4.93 118.68 118.21 2kpj s LEU 74 Ca 0.34 -1.48 -0.27 0.00 -1.03 0.00 0.00 54.13 51.69 2kpj s LEU 74 Cb 0.27 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.92 2kpj s LEU 74 CO 0.09 -1.65 1.54 0.20 0.23 0.00 0.00 176.35 176.77 2kpj s ASN 75 N 5.29 5.88 0.14 2.29 -0.87 -1.26 -4.98 114.94 121.42 2kpj s ASN 75 Ca 0.50 0.26 -0.30 0.00 -1.57 0.00 0.00 52.86 51.75 2kpj s ASN 75 Cb -0.00 -2.54 -0.07 0.00 -0.02 0.00 0.00 41.25 38.61 2kpj s ASN 75 CO -0.06 -1.91 1.27 -0.63 -2.57 0.00 0.00 177.10 173.19 2kpj s ILE 76 N 6.90 3.55 -0.72 0.60 -1.09 -1.26 -4.98 121.20 124.21 2kpj s ILE 76 Ca 0.56 1.19 -0.10 0.00 -2.23 0.00 0.00 60.65 60.06 2kpj s ILE 76 Cb -0.12 -3.76 0.19 0.00 -1.58 0.00 0.00 42.46 37.19 2kpj s ILE 76 CO 0.23 0.14 0.62 -1.81 -1.23 0.00 0.00 174.94 172.88 2kpj s ASP 77 N 0.67 6.19 -0.53 3.58 1.01 -1.26 -5.02 116.67 121.31 2kpj s ASP 77 Ca 0.58 -2.61 -0.26 0.00 0.71 0.00 0.00 52.55 50.96 2kpj s ASP 77 Cb -0.34 -2.09 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 2kpj s ASP 77 CO 0.33 -0.54 2.11 0.42 0.21 0.00 0.00 175.17 177.70 2kpj s THR 78 N 0.29 3.20 -0.53 -1.27 -4.23 -1.26 -4.91 115.64 106.93 2kpj s THR 78 Ca 0.16 0.12 0.04 0.00 -1.18 0.00 0.00 61.69 60.83 2kpj s THR 78 Cb -0.16 -3.48 0.14 0.00 1.34 0.00 0.00 72.50 70.34 2kpj s THR 78 CO -0.06 -0.46 0.30 -0.69 -0.54 0.00 0.00 174.62 173.18 2kpj s VAL 79 N 10.33 2.24 1.13 2.29 1.01 -1.26 -5.12 120.40 131.02 2kpj s VAL 79 Ca 0.82 -3.27 -0.18 0.00 0.00 0.00 0.00 61.98 59.35 2kpj s VAL 79 Cb -0.16 -2.54 0.26 0.00 0.00 0.00 0.00 36.38 33.95 2kpj s VAL 79 CO 0.24 -0.88 1.18 -2.16 0.00 0.00 0.00 175.10 173.48 2kpj s PRO 80 N -0.33 -0.67 -0.04 2.72 0.04 -1.26 -5.08 135.00 130.37 2kpj s PRO 80 Ca 0.19 -0.21 0.04 0.00 0.04 0.00 0.00 61.00 61.06 2kpj s PRO 80 Cb -0.20 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.66 2kpj s PRO 80 CO -0.04 -3.32 -0.14 -1.50 0.04 0.00 0.00 177.00 172.03 2kpj s ILE 81 N -3.31 1.24 -0.87 0.56 2.07 -1.26 -5.08 121.20 114.56 2kpj s ILE 81 Ca 0.72 -0.60 -0.24 0.00 -1.41 0.00 0.00 60.65 59.13 2kpj s ILE 81 Cb -0.07 -1.08 0.05 0.00 0.13 0.00 0.00 42.46 41.49 2kpj s ILE 81 CO 0.55 0.37 1.30 -0.70 -1.91 0.00 0.00 174.94 174.54 2kpj s GLU 82 N 0.19 3.39 0.26 3.50 -6.30 -1.26 -4.98 118.70 113.50 2kpj s GLU 82 Ca -0.06 -0.83 0.10 0.00 -2.50 0.00 0.00 54.97 51.68 2kpj s GLU 82 Cb -0.12 -4.75 -0.04 0.00 0.00 0.00 0.00 34.13 29.22 2kpj s GLU 82 CO 0.02 -2.10 -0.07 -1.12 0.02 0.00 0.00 175.26 172.02 2kpj s SER 83 N 4.23 4.27 0.00 -1.70 0.01 -1.26 -5.14 113.70 114.12 2kpj s SER 83 Ca 0.38 -0.73 0.00 0.00 1.31 0.00 0.00 55.95 56.91 2kpj s SER 83 Cb -0.05 -0.69 0.00 0.00 0.21 0.00 0.00 66.02 65.48 2kpj s SER 83 CO 0.02 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.30 2kpj n GLY 84 N -0.68 0.48 3.45 3.44 0.00 -1.26 -5.13 105.19 105.48 2kpj n GLY 84 Ca -0.07 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 2kpj n GLY 84 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2kpj n TYR 85 N 0.00 0.13 -4.16 1.61 4.01 -1.26 -5.16 117.16 112.33 2kpj n TYR 85 Ca 0.00 -2.23 -0.28 0.00 -0.16 0.00 0.00 57.90 55.24 2kpj n TYR 85 Cb 0.00 -0.37 -0.04 0.00 -0.31 0.00 0.00 39.34 38.63 2kpj n TYR 85 CO 0.00 0.00 0.00 -0.08 -0.46 0.00 0.00 176.86 176.32 2kpj s THR 86 N -2.60 1.62 -0.01 -0.72 -1.32 -1.26 -5.12 115.64 106.23 2kpj s THR 86 Ca 0.16 -1.66 -0.18 0.00 -1.21 0.00 0.00 61.69 58.79 2kpj s THR 86 Cb -0.01 -2.28 -0.05 0.00 -1.51 0.00 0.00 72.50 68.64 2kpj s THR 86 CO 0.10 0.00 0.52 -0.76 -2.21 0.00 0.00 174.62 172.27 2kpj s LEU 87 N -4.11 4.42 0.88 9.08 1.43 -1.26 -5.07 118.68 124.04 2kpj s LEU 87 Ca 0.27 1.05 -0.13 0.00 -1.03 0.00 0.00 54.13 54.30 2kpj s LEU 87 Cb -0.00 -2.79 0.15 0.00 0.03 0.00 0.00 46.19 43.58 2kpj s LEU 87 CO 0.16 0.16 1.23 -1.61 0.23 0.00 0.00 176.35 176.52 2kpj s GLU 88 N -0.39 1.22 -0.99 1.70 2.02 -1.26 -5.01 118.70 116.00 2kpj s GLU 88 Ca 0.28 -0.33 -0.06 0.00 0.02 0.00 0.00 54.97 54.88 2kpj s GLU 88 Cb -0.17 -1.95 0.25 0.00 0.10 0.00 0.00 34.13 32.35 2kpj s GLU 88 CO 0.15 -2.00 0.93 -1.01 0.02 0.00 0.00 175.26 173.35 2kpj s HIS 89 N -3.68 4.06 -0.44 1.61 3.76 -1.26 -4.97 115.29 114.37 2kpj s HIS 89 Ca 0.69 -2.78 -0.07 0.00 -0.15 0.00 0.00 55.06 52.75 2kpj s HIS 89 Cb -0.06 -3.58 -0.21 0.00 1.11 0.00 0.00 32.58 29.83 2kpj s HIS 89 CO 0.50 -0.86 3.36 1.58 -0.85 0.00 0.00 174.74 178.47 2kpj n HIS 90 N 2.66 0.66 -3.59 1.40 -0.00 -1.26 -4.91 115.22 110.19 2kpj n HIS 90 Ca 0.22 -1.89 0.06 0.00 0.46 0.00 0.00 57.72 56.56 2kpj n HIS 90 Cb 0.39 -1.81 -0.01 0.00 -0.12 0.00 0.00 29.99 28.43 2kpj n HIS 90 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2kpj n HIS 91 N 2.82 -2.39 -4.11 1.57 8.25 -1.26 -5.02 115.22 115.09 2kpj n HIS 91 Ca 0.51 0.54 -0.11 0.00 -0.26 0.00 0.00 57.72 58.40 2kpj n HIS 91 Cb 0.71 -0.83 -0.08 0.00 1.12 0.00 0.00 29.99 30.91 2kpj n HIS 91 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2kpj s HIS 92 N -0.71 0.83 -1.57 4.41 -3.43 -1.26 -5.03 115.29 108.53 2kpj s HIS 92 Ca 0.00 -1.11 0.12 0.00 -0.80 0.00 0.00 55.06 53.27 2kpj s HIS 92 Cb 0.00 -0.23 0.41 0.00 -1.43 0.00 0.00 32.58 31.33 2kpj s HIS 92 CO 0.00 -0.81 1.29 0.72 -2.00 0.00 0.00 174.74 173.94 2kpj n HIS 93 N -0.33 0.77 -1.15 0.38 8.25 -1.26 -5.32 115.22 116.55 2kpj n HIS 93 Ca 0.01 -0.33 0.00 0.00 -0.26 0.00 0.00 57.72 57.14 2kpj n HIS 93 Cb 0.64 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.65 2kpj n HIS 93 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56