#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 3.30 -0.22 3.17 -7.23 -1.26 -4.74 120.40 113.42 2kpj s VAL 2 Ca 0.00 -0.57 0.18 0.00 -1.81 0.00 0.00 61.98 59.78 2kpj s VAL 2 Cb 0.00 -2.41 -0.26 0.00 0.56 0.00 0.00 36.38 34.28 2kpj s VAL 2 CO 0.00 0.51 0.48 1.17 -0.31 0.00 0.00 175.10 176.95 2kpj n LYS 3 N 3.53 0.71 -3.76 4.82 3.00 -1.26 -5.00 118.16 120.21 2kpj n LYS 3 Ca -0.18 -0.12 -0.13 0.00 -0.00 0.00 0.00 58.31 57.87 2kpj n LYS 3 Cb 0.53 -1.40 -0.09 0.00 0.00 0.00 0.00 35.03 34.06 2kpj n LYS 3 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2kpj s ASP 4 N -3.72 -0.24 0.19 3.14 2.15 -1.26 -5.06 116.67 111.86 2kpj s ASP 4 Ca -0.03 0.26 -0.12 0.00 0.43 0.00 0.00 52.55 53.09 2kpj s ASP 4 Cb 0.12 0.43 0.12 0.00 -0.30 0.00 0.00 42.92 43.28 2kpj s ASP 4 CO 0.74 -0.36 1.86 0.11 -0.17 0.00 0.00 175.17 177.35 2kpj h LYS 5 N 4.35 0.87 -0.46 4.34 1.57 -1.99 -1.79 116.57 123.47 2kpj h LYS 5 Ca -0.29 -0.06 -0.04 0.00 -1.87 0.00 0.00 60.65 58.40 2kpj h LYS 5 Cb 1.18 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.27 2kpj h LYS 5 CO 0.37 0.59 0.14 0.37 -0.57 0.00 0.00 179.45 180.34 2kpj h GLN 6 N 0.89 0.68 -0.14 3.15 5.75 -1.97 0.61 115.11 124.08 2kpj h GLN 6 Ca 0.24 -0.11 -0.15 0.00 -0.15 0.00 0.00 58.65 58.47 2kpj h GLN 6 Cb -0.09 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.34 2kpj h GLN 6 CO -0.05 0.60 -0.57 0.87 -2.65 0.00 0.00 178.83 177.03 2kpj h LYS 7 N 0.67 0.44 -0.04 1.69 1.57 -1.80 -1.67 116.57 117.43 2kpj h LYS 7 Ca 0.16 -0.28 -0.18 0.00 -1.87 0.00 0.00 60.65 58.48 2kpj h LYS 7 Cb 0.21 0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.57 2kpj h LYS 7 CO -0.01 0.89 -0.67 0.00 -0.57 0.00 0.00 179.45 179.09 2kpj h ALA 8 N 1.05 0.13 -0.71 3.86 0.00 -0.42 -2.74 119.26 120.44 2kpj h ALA 8 Ca 0.00 -0.58 -0.02 0.00 0.00 0.00 0.00 54.91 54.32 2kpj h ALA 8 Cb 1.09 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.87 2kpj h ALA 8 CO 0.10 0.44 0.38 0.82 0.00 0.00 0.00 179.25 180.99 2kpj h ILE 9 N 0.08 1.22 -0.14 0.00 2.04 0.18 0.77 117.51 121.67 2kpj h ILE 9 Ca -0.07 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.23 2kpj h ILE 9 Cb 1.35 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 2kpj h ILE 9 CO 0.13 0.24 0.09 0.15 0.00 0.00 0.00 178.15 178.77 2kpj h PHE 10 N 0.97 0.18 -0.43 1.37 3.57 -1.35 0.25 116.94 121.50 2kpj h PHE 10 Ca 0.25 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.63 2kpj h PHE 10 Cb 0.05 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.72 2kpj h PHE 10 CO -0.00 0.11 -0.22 0.66 -2.23 0.00 0.00 178.31 176.63 2kpj h SER 11 N 0.19 0.89 -0.48 0.41 4.64 -1.24 0.68 113.55 118.64 2kpj h SER 11 Ca 0.05 -0.33 -0.07 0.00 -0.47 0.00 0.00 61.79 60.97 2kpj h SER 11 Cb -0.02 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 61.81 2kpj h SER 11 CO -0.01 1.07 0.01 -0.08 -0.87 0.00 0.00 176.83 176.94 2kpj h GLU 12 N 0.76 0.84 -0.04 4.77 4.81 -0.65 -0.70 114.58 124.36 2kpj h GLU 12 Ca 0.10 -0.26 0.01 0.00 -0.13 0.00 0.00 59.36 59.08 2kpj h GLU 12 Cb 0.76 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 2kpj h GLU 12 CO 0.06 0.88 -0.02 -0.91 -0.73 0.00 0.00 179.01 178.29 2kpj h ASN 13 N 0.69 -0.06 -0.48 1.04 2.35 -0.24 -1.09 115.58 117.79 2kpj h ASN 13 Ca 0.14 0.02 0.06 0.00 -0.55 0.00 0.00 56.30 55.96 2kpj h ASN 13 Cb 0.50 0.04 -0.05 0.00 0.05 0.00 0.00 38.32 38.85 2kpj h ASN 13 CO 0.02 -0.03 0.17 0.25 -1.65 0.00 0.00 177.43 176.20 2kpj h LEU 14 N -0.02 0.18 -1.33 1.61 5.85 -0.73 -1.04 115.31 119.83 2kpj h LEU 14 Ca 0.02 0.06 0.04 0.00 0.84 0.00 0.00 57.88 58.83 2kpj h LEU 14 Cb 0.05 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 2kpj h LEU 14 CO -0.05 0.13 0.48 0.78 -0.34 0.00 0.00 178.44 179.44 2kpj h ASN 15 N 0.35 0.75 -0.05 1.25 2.35 -0.83 -2.26 115.58 117.14 2kpj h ASN 15 Ca 0.23 -0.01 0.03 0.00 -0.55 0.00 0.00 56.30 56.00 2kpj h ASN 15 Cb 0.23 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.39 2kpj h ASN 15 CO -0.23 0.52 -0.17 0.28 -1.65 0.00 0.00 177.43 176.18 2kpj h SER 16 N 0.87 -0.49 0.66 5.81 0.02 0.13 0.21 113.55 120.76 2kpj h SER 16 Ca 0.29 0.08 -0.19 0.00 -0.84 0.00 0.00 61.79 61.13 2kpj h SER 16 Cb 0.07 0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 2kpj h SER 16 CO -0.08 -0.22 -0.87 1.88 -1.14 0.00 0.00 176.83 176.39 2kpj h TYR 17 N -0.25 0.21 -0.08 3.45 0.05 -1.38 -1.63 116.97 117.34 2kpj h TYR 17 Ca 0.07 -0.12 -0.11 0.00 0.05 0.00 0.00 58.73 58.62 2kpj h TYR 17 Cb 0.34 -0.02 0.00 0.00 1.01 0.00 0.00 36.73 38.06 2kpj h TYR 17 CO -0.24 0.94 -0.38 0.82 -1.05 0.00 0.00 178.16 178.25 2kpj h ILE 18 N 0.07 1.40 0.00 -2.88 2.04 -1.21 -0.78 117.51 116.16 2kpj h ILE 18 Ca -0.04 -1.76 -0.03 0.00 1.00 0.00 0.00 64.86 64.04 2kpj h ILE 18 Cb 1.51 2.28 -0.00 0.00 -0.74 0.00 0.00 36.82 39.86 2kpj h ILE 18 CO 0.13 0.51 -0.12 0.00 0.00 0.00 0.00 178.15 178.67 2kpj h ALA 19 N 0.44 1.01 0.26 1.87 0.00 -0.60 -2.80 119.26 119.44 2kpj h ALA 19 Ca -0.02 -0.11 -0.34 0.00 0.00 0.00 0.00 54.91 54.43 2kpj h ALA 19 Cb 1.03 -0.02 0.04 0.00 0.00 0.00 0.00 17.79 18.84 2kpj h ALA 19 CO 0.08 0.16 -1.49 -0.22 0.00 0.00 0.00 179.25 177.78 2kpj h LYS 20 N 0.00 0.54 -7.51 0.00 1.63 -1.25 -3.46 116.57 106.52 2kpj h LYS 20 Ca -0.00 -0.93 -0.44 0.00 -0.85 0.00 0.00 60.65 58.43 2kpj h LYS 20 Cb 0.68 0.35 0.16 0.00 -0.60 0.00 0.00 32.23 32.81 2kpj h LYS 20 CO 0.02 1.45 0.26 -1.12 -3.45 0.00 0.00 179.45 176.60 2kpj s SER 21 N -7.59 2.58 -0.05 4.20 0.01 -0.30 -5.01 113.70 107.54 2kpj s SER 21 Ca -0.09 0.77 0.18 0.00 1.31 0.00 0.00 55.95 58.12 2kpj s SER 21 Cb 0.04 -1.17 -0.27 0.00 0.21 0.00 0.00 66.02 64.83 2kpj s SER 21 CO 0.95 -3.11 0.34 1.21 0.41 0.00 0.00 173.24 173.04 2kpj n GLU 22 N -4.10 0.67 -2.69 12.44 2.13 -1.26 -4.92 120.64 122.90 2kpj n GLU 22 Ca 0.10 -0.14 -0.37 0.00 0.66 0.00 0.00 57.16 57.41 2kpj n GLU 22 Cb 0.59 -1.43 -0.06 0.00 0.27 0.00 0.00 31.44 30.81 2kpj n GLU 22 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 2kpj s LYS 23 N -3.12 4.41 0.66 5.31 2.47 -1.26 -5.02 119.74 123.20 2kpj s LYS 23 Ca -0.07 1.39 -0.13 0.00 -1.56 0.00 0.00 55.97 55.60 2kpj s LYS 23 Cb 0.11 -2.67 -0.01 0.00 -1.46 0.00 0.00 37.83 33.79 2kpj s LYS 23 CO 0.75 0.11 1.06 0.95 0.16 0.00 0.00 175.35 178.38 2kpj s THR 24 N -1.66 3.87 0.28 3.43 -4.23 -1.26 -4.90 115.64 111.18 2kpj s THR 24 Ca 0.54 0.72 -0.01 0.00 -1.18 0.00 0.00 61.69 61.76 2kpj s THR 24 Cb -0.19 -3.35 0.16 0.00 1.34 0.00 0.00 72.50 70.46 2kpj s THR 24 CO 0.25 -0.68 1.84 1.56 -0.54 0.00 0.00 174.62 177.04 2kpj h GLN 25 N -0.26 0.83 -0.36 3.99 4.20 -1.95 -1.23 115.11 120.33 2kpj h GLN 25 Ca -0.45 -0.16 0.02 0.00 0.06 0.00 0.00 58.65 58.12 2kpj h GLN 25 Cb 1.22 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.84 2kpj h GLN 25 CO 0.57 0.74 0.19 1.25 -0.67 0.00 0.00 178.83 180.90 2kpj h LEU 26 N 0.81 0.28 -0.49 1.46 6.46 -1.96 0.69 115.31 122.56 2kpj h LEU 26 Ca 0.18 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.96 2kpj h LEU 26 Cb 0.26 -0.04 -0.03 0.00 -0.73 0.00 0.00 40.66 40.13 2kpj h LEU 26 CO -0.01 0.20 0.32 -0.33 -0.62 0.00 0.00 178.44 178.01 2kpj h GLU 27 N 0.38 0.63 0.22 1.25 4.39 -1.78 -0.55 114.58 119.13 2kpj h GLU 27 Ca 0.15 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 2kpj h GLU 27 Cb 0.05 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 28.56 2kpj h GLU 27 CO -0.10 0.42 -0.11 0.82 -1.16 0.00 0.00 179.01 178.88 2kpj h ILE 28 N 0.65 0.78 -0.91 3.13 2.04 -0.91 -2.46 117.51 119.84 2kpj h ILE 28 Ca 0.18 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 66.07 2kpj h ILE 28 Cb -0.06 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 2kpj h ILE 28 CO -0.05 0.00 0.60 0.00 0.00 0.00 0.00 178.15 178.70 2kpj h ALA 29 N 0.47 1.43 -0.45 1.87 0.00 -0.65 0.30 119.26 122.24 2kpj h ALA 29 Ca -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2kpj h ALA 29 Cb 0.23 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2kpj h ALA 29 CO 0.05 0.47 0.21 -0.22 0.00 0.00 0.00 179.25 179.76 2kpj h LYS 30 N 1.13 0.65 0.00 0.00 3.64 -0.95 0.59 116.57 121.63 2kpj h LYS 30 Ca 0.37 -0.10 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 2kpj h LYS 30 Cb 0.04 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2kpj h LYS 30 CO -0.11 0.56 -0.10 0.77 -2.27 0.00 0.00 179.45 178.30 2kpj h SER 31 N 0.58 0.00 -0.12 4.20 0.02 -0.90 -2.88 113.55 114.45 2kpj h SER 31 Ca 0.15 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.97 2kpj h SER 31 Cb 0.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2kpj h SER 31 CO -0.02 0.10 -0.43 0.40 -1.14 0.00 0.00 176.83 175.74 2kpj h ILE 32 N 0.00 1.37 0.00 3.27 1.08 -0.52 -3.48 117.51 119.22 2kpj h ILE 32 Ca -0.00 -1.75 0.00 0.00 -0.39 0.00 0.00 64.86 62.72 2kpj h ILE 32 Cb 0.86 2.15 0.00 0.00 -3.07 0.00 0.00 36.82 36.76 2kpj h ILE 32 CO 0.01 0.52 0.00 0.61 -0.69 0.00 0.00 178.15 178.61 2kpj n GLY 33 N 0.63 1.86 3.33 5.37 0.00 0.09 -5.08 105.19 111.40 2kpj n GLY 33 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 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 0.24 0.26 1.61 -7.23 -0.57 -5.04 120.40 107.66 2kpj s VAL 34 Ca 0.00 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.07 2kpj s VAL 34 Cb 0.00 -2.48 -0.07 0.00 0.56 0.00 0.00 36.38 34.38 2kpj s VAL 34 CO 0.00 0.00 0.59 -0.44 -0.31 0.00 0.00 175.10 174.94 2kpj s SER 35 N -3.39 6.64 0.61 4.85 0.01 -1.26 -4.03 113.70 117.12 2kpj s SER 35 Ca 0.36 0.98 0.31 0.00 1.31 0.00 0.00 55.95 58.91 2kpj s SER 35 Cb 0.04 -2.25 1.82 0.00 0.21 0.00 0.00 66.02 65.83 2kpj s SER 35 CO 0.20 -0.12 2.18 -0.65 0.41 0.00 0.00 173.24 175.26 2kpj h PRO 36 N 2.39 0.00 -0.29 12.44 0.11 -1.91 -1.12 132.00 143.62 2kpj h PRO 36 Ca -0.47 0.00 0.04 0.00 0.11 0.00 0.00 66.00 65.68 2kpj h PRO 36 Cb 1.17 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.24 2kpj h PRO 36 CO 0.68 0.00 0.06 0.37 -0.21 0.00 0.00 178.00 178.90 2kpj h GLN 37 N 0.00 0.16 -0.06 1.05 -0.00 -1.99 0.24 115.11 114.51 2kpj h GLN 37 Ca 0.04 -0.01 -0.12 0.00 -0.00 0.00 0.00 58.65 58.57 2kpj h GLN 37 Cb 0.28 -0.04 -0.01 0.00 0.00 0.00 0.00 27.48 27.71 2kpj h GLN 37 CO -0.00 0.11 -0.49 1.15 0.00 0.00 0.00 178.83 179.60 2kpj h THR 38 N 0.17 1.35 -0.22 2.39 2.02 -1.61 -2.37 112.91 114.64 2kpj h THR 38 Ca 0.14 -1.70 -0.14 0.00 0.77 0.00 0.00 66.41 65.48 2kpj h THR 38 Cb 0.14 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 2kpj h THR 38 CO -0.18 0.50 -0.43 0.15 0.37 0.00 0.00 175.52 175.93 2kpj h PHE 39 N 0.12 0.66 -0.35 3.16 3.04 -1.11 -2.90 116.94 119.56 2kpj h PHE 39 Ca 0.00 -0.20 -0.14 0.00 3.98 0.00 0.00 57.97 61.61 2kpj h PHE 39 Cb 0.91 -0.14 -0.01 0.00 2.56 0.00 0.00 35.95 39.27 2kpj h PHE 39 CO 0.01 0.89 -0.36 -0.97 -2.02 0.00 0.00 178.31 175.86 2kpj h ASN 40 N 0.45 0.86 0.43 0.41 -1.24 -0.10 -0.55 115.58 115.85 2kpj h ASN 40 Ca 0.03 -0.38 -0.03 0.00 0.71 0.00 0.00 56.30 56.64 2kpj h ASN 40 Cb 0.94 -0.24 -0.00 0.00 0.73 0.00 0.00 38.32 39.74 2kpj h ASN 40 CO 0.08 1.13 -0.12 0.71 -1.29 0.00 0.00 177.43 177.94 2kpj h THR 41 N 0.68 0.53 0.08 -3.57 1.35 -1.36 0.27 112.91 110.88 2kpj h THR 41 Ca 0.06 -0.58 -0.24 0.00 -0.55 0.00 0.00 66.41 65.11 2kpj h THR 41 Cb 0.92 1.38 0.02 0.00 -1.73 0.00 0.00 68.15 68.74 2kpj h THR 41 CO 0.08 0.12 -0.98 -0.50 -0.25 0.00 0.00 175.52 173.99 2kpj h TRP 42 N 0.00 0.84 0.00 4.73 6.55 -1.23 -0.51 115.95 126.33 2kpj h TRP 42 Ca -0.00 -0.51 -0.05 0.00 0.95 0.00 0.00 58.89 59.28 2kpj h TRP 42 Cb 0.37 -0.07 -0.01 0.00 -0.86 0.00 0.00 29.16 28.59 2kpj h TRP 42 CO 0.00 1.36 -0.24 0.00 -1.05 0.00 0.00 178.44 178.51 2kpj n LYS 44 N -4.13 1.67 -2.31 0.00 4.76 -0.01 -4.79 118.16 113.35 2kpj n LYS 44 Ca -0.02 -1.01 -0.18 0.00 -2.87 0.00 0.00 58.31 54.23 2kpj n LYS 44 Cb 0.30 -1.40 -0.01 0.00 -1.84 0.00 0.00 35.03 32.08 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 1.12 -0.27 0.17 0.72 0.00 -0.24 -4.59 105.19 102.09 2kpj n GLY 45 Ca 0.17 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 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 1.34 -3.26 -0.61 2.04 -1.30 -3.44 117.51 112.28 2kpj h ILE 46 Ca -0.43 -2.22 -0.19 0.00 1.00 0.00 0.00 64.86 63.02 2kpj h ILE 46 Cb 1.32 2.53 -0.27 0.00 -0.74 0.00 0.00 36.82 39.65 2kpj h ILE 46 CO 0.52 0.67 -0.51 0.00 0.00 0.00 0.00 178.15 178.82 2kpj s ALA 47 N -3.20 -0.44 -0.25 1.87 0.00 -1.17 -5.06 121.76 113.51 2kpj s ALA 47 Ca -0.11 0.59 -0.17 0.00 0.00 0.00 0.00 51.96 52.26 2kpj s ALA 47 Cb 0.05 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 2kpj s ALA 47 CO 0.88 -0.11 0.49 0.42 0.00 0.00 0.00 175.76 177.45 2kpj s ILE 48 N 0.36 5.09 0.66 0.00 1.01 -1.26 -4.33 121.20 122.73 2kpj s ILE 48 Ca -0.02 0.84 -0.18 0.00 0.00 0.00 0.00 60.65 61.29 2kpj s ILE 48 Cb -0.04 -3.81 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 2kpj s ILE 48 CO -0.02 0.11 1.29 -2.16 0.00 0.00 0.00 174.94 174.17 2kpj s PRO 49 N 2.15 2.49 0.87 2.79 0.04 -1.26 -4.97 135.00 137.12 2kpj s PRO 49 Ca 0.21 2.06 -0.11 0.00 0.04 0.00 0.00 61.00 63.20 2kpj s PRO 49 Cb -0.16 -1.84 0.12 0.00 0.04 0.00 0.00 34.50 32.66 2kpj s PRO 49 CO 0.09 -1.64 1.10 1.03 0.04 0.00 0.00 177.00 177.62 2kpj s ARG 50 N -3.41 1.43 0.53 4.56 0.52 -1.26 -4.62 118.95 116.70 2kpj s ARG 50 Ca 0.82 1.17 0.22 0.00 -0.52 0.00 0.00 55.73 57.42 2kpj s ARG 50 Cb -0.37 -1.80 1.38 0.00 0.52 0.00 0.00 34.95 34.67 2kpj s ARG 50 CO 0.40 -2.22 2.08 0.00 0.02 0.00 0.00 175.30 175.58 2kpj h MET 51 N -1.55 0.00 0.00 3.54 -0.00 -1.99 0.22 114.93 115.15 2kpj h MET 51 Ca -0.46 0.00 -0.07 0.00 -0.00 0.00 0.00 59.70 59.17 2kpj h MET 51 Cb 1.26 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.85 2kpj h MET 51 CO 0.49 0.00 -0.33 0.78 -0.00 0.00 0.00 176.91 177.85 2kpj h GLY 52 N 0.00 0.00 1.16 -3.00 0.00 -2.01 -1.85 103.07 97.38 2kpj h GLY 52 Ca 0.13 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.16 2kpj h GLY 52 CO -0.00 0.00 -1.59 1.70 0.00 0.00 0.00 176.54 176.65 2kpj h LYS 53 N 0.00 0.10 -0.53 4.80 1.63 -0.93 -3.31 116.57 118.33 2kpj h LYS 53 Ca -0.00 -0.17 -0.03 0.00 -0.85 0.00 0.00 60.65 59.60 2kpj h LYS 53 Cb 0.65 0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 32.32 2kpj h LYS 53 CO 0.04 0.83 0.21 0.28 -3.45 0.00 0.00 179.45 177.36 2kpj h VAL 54 N 0.03 1.20 -0.73 2.00 2.07 -1.08 -2.28 116.25 117.45 2kpj h VAL 54 Ca -0.25 -0.62 0.05 0.00 0.82 0.00 0.00 66.70 66.70 2kpj h VAL 54 Cb 1.98 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 32.26 2kpj h VAL 54 CO 0.11 0.24 0.44 1.56 0.02 0.00 0.00 177.57 179.94 2kpj h GLN 55 N 0.76 0.80 -0.39 1.57 1.08 -1.42 0.17 115.11 117.68 2kpj h GLN 55 Ca 0.18 -0.05 -0.03 0.00 -1.45 0.00 0.00 58.65 57.31 2kpj h GLN 55 Cb 0.16 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.39 2kpj h GLN 55 CO -0.02 0.53 0.14 0.00 -0.95 0.00 0.00 178.83 178.53 2kpj h ALA 56 N 1.34 0.51 -0.05 3.87 0.00 -1.52 0.16 119.26 123.57 2kpj h ALA 56 Ca 0.31 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.07 2kpj h ALA 56 Cb 0.12 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2kpj h ALA 56 CO -0.15 0.13 0.02 -0.07 0.00 0.00 0.00 179.25 179.18 2kpj h LEU 57 N 0.48 0.06 -1.01 0.00 3.38 -1.00 -1.22 115.31 116.01 2kpj h LEU 57 Ca 0.13 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 2kpj h LEU 57 Cb 0.23 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2kpj h LEU 57 CO -0.01 0.18 0.30 0.00 0.09 0.00 0.00 178.44 179.00 2kpj h ALA 58 N 0.89 1.22 -0.43 1.53 0.00 -0.59 -2.67 119.26 119.20 2kpj h ALA 58 Ca 0.02 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.62 2kpj h ALA 58 Cb 0.13 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2kpj h ALA 58 CO -0.00 0.58 -0.30 0.22 0.00 0.00 0.00 179.25 179.75 2kpj h ASP 59 N 0.99 1.00 -0.69 0.00 1.82 -0.81 0.36 116.42 119.09 2kpj h ASP 59 Ca 0.24 -0.42 0.03 0.00 -0.39 0.00 0.00 57.03 56.49 2kpj h ASP 59 Cb 0.16 -0.28 -0.04 0.00 0.68 0.00 0.00 39.33 39.84 2kpj h ASP 59 CO -0.02 1.22 0.42 0.22 -1.61 0.00 0.00 179.24 179.47 2kpj h TYR 60 N 0.81 0.79 0.00 0.28 3.20 -0.90 -1.95 116.97 119.20 2kpj h TYR 60 Ca 0.09 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.98 2kpj h TYR 60 Cb 0.88 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.90 2kpj h TYR 60 CO 0.06 0.45 -0.48 1.19 -1.64 0.00 0.00 178.16 177.74 2kpj n PHE 61 N -4.69 0.26 -3.18 -3.82 3.72 -1.04 -4.95 117.46 103.76 2kpj n PHE 61 Ca 0.07 0.07 -0.14 0.00 -0.05 0.00 0.00 57.45 57.41 2kpj n PHE 61 Cb 0.09 -0.47 0.07 0.00 -0.94 0.00 0.00 39.48 38.24 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 -1.77 -2.05 -3.38 4.37 5.15 0.32 -5.04 115.26 112.85 2kpj n ASN 62 Ca 0.05 -0.51 -0.19 0.00 -0.60 0.00 0.00 54.58 53.33 2kpj n ASN 62 Cb 0.38 -4.32 -0.05 0.00 -0.53 0.00 0.00 39.78 35.26 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 -3.59 0.00 -3.97 -1.44 -5.35 0.98 -5.01 119.36 100.98 2kpj n ILE 63 Ca -0.24 -1.62 -0.24 0.00 -0.27 0.00 0.00 62.75 60.38 2kpj n ILE 63 Cb 0.64 0.48 -0.03 0.00 -1.74 0.00 0.00 39.64 38.99 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 -2.77 6.21 0.47 7.28 2.47 -1.26 -4.44 114.94 122.90 2kpj s ASN 64 Ca 0.09 0.09 0.15 0.00 0.42 0.00 0.00 52.86 53.61 2kpj s ASN 64 Cb 0.00 -1.83 1.11 0.00 -1.45 0.00 0.00 41.25 39.09 2kpj s ASN 64 CO 0.06 0.01 2.05 0.07 -3.72 0.00 0.00 177.10 175.57 2kpj h LYS 65 N 1.86 0.00 0.00 0.43 2.10 -1.94 -1.82 116.57 117.20 2kpj h LYS 65 Ca -0.49 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.06 2kpj h LYS 65 Cb 1.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.52 2kpj h LYS 65 CO 0.66 0.12 -0.44 0.66 -2.00 0.00 0.00 179.45 178.45 2kpj h SER 66 N 0.00 0.00 0.36 7.07 4.64 -1.99 -2.87 113.55 120.77 2kpj h SER 66 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2kpj h SER 66 Cb 0.22 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2kpj h SER 66 CO 0.02 0.44 -0.09 0.44 -0.87 0.00 0.00 176.83 176.77 2kpj h ASP 67 N 0.00 0.00 0.30 4.97 3.32 -1.68 0.60 116.42 123.92 2kpj h ASP 67 Ca -0.00 0.00 -0.32 0.00 0.02 0.00 0.00 57.03 56.72 2kpj h ASP 67 Cb 0.79 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.28 2kpj h ASP 67 CO 0.06 0.09 -1.97 0.18 -1.72 0.00 0.00 179.24 175.88 2kpj n LEU 68 N -3.56 0.74 -0.10 1.55 4.77 -1.10 -4.65 117.00 114.64 2kpj n LEU 68 Ca -0.02 0.25 -0.22 0.00 -0.03 0.00 0.00 56.01 56.00 2kpj n LEU 68 Cb 0.22 0.18 -0.12 0.00 -2.33 0.00 0.00 43.42 41.37 2kpj n LEU 68 CO 0.29 0.46 -0.55 0.40 -1.33 0.00 0.00 177.39 176.66 2kpj h ILE 69 N 0.00 0.89 -4.32 -0.08 1.08 -1.20 -3.37 117.51 110.50 2kpj h ILE 69 Ca -0.39 -2.19 -0.51 0.00 -0.39 0.00 0.00 64.86 61.38 2kpj h ILE 69 Cb 2.09 2.23 0.10 0.00 -3.07 0.00 0.00 36.82 38.18 2kpj h ILE 69 CO 0.06 0.35 0.36 -1.61 -0.69 0.00 0.00 178.15 176.62 2kpj s GLU 70 N -2.38 2.78 0.40 2.37 0.41 0.14 -4.48 118.70 117.95 2kpj s GLU 70 Ca -0.28 1.02 -0.25 0.00 -0.41 0.00 0.00 54.97 55.05 2kpj s GLU 70 Cb 0.06 -1.97 -0.08 0.00 -1.78 0.00 0.00 34.13 30.36 2kpj s GLU 70 CO 0.60 -1.23 1.15 0.34 -0.49 0.00 0.00 175.26 175.64 2kpj s ASP 71 N -3.64 6.53 -0.07 -0.19 2.15 -1.26 -4.91 116.67 115.27 2kpj s ASP 71 Ca 0.59 2.30 0.19 0.00 0.43 0.00 0.00 52.55 56.06 2kpj s ASP 71 Cb -0.15 -2.61 0.66 0.00 -0.30 0.00 0.00 42.92 40.52 2kpj s ASP 71 CO 0.54 -0.67 1.56 1.17 -0.17 0.00 0.00 175.17 177.60 2kpj n LYS 72 N 0.02 3.21 -0.04 4.34 4.81 -1.26 -3.93 118.16 125.31 2kpj n LYS 72 Ca 0.05 -2.63 0.09 0.00 -0.87 0.00 0.00 58.31 54.94 2kpj n LYS 72 Cb 0.47 -1.74 0.43 0.00 0.02 0.00 0.00 35.03 34.21 2kpj n LYS 72 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2kpj n LYS 73 N 1.26 1.34 0.00 1.64 0.00 -1.26 -3.89 118.16 117.25 2kpj n LYS 73 Ca 0.24 -0.51 0.00 0.00 0.00 0.00 0.00 58.31 58.04 2kpj n LYS 73 Cb 0.75 -1.32 0.00 0.00 0.00 0.00 0.00 35.03 34.46 2kpj n LYS 73 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2kpj n LEU 74 N -0.26 0.27 -2.06 3.14 4.77 -1.25 -4.87 117.00 116.74 2kpj n LEU 74 Ca 0.14 -0.14 -0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2kpj n LEU 74 Cb 0.18 -0.14 -0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2kpj n LEU 74 CO 0.11 0.07 -0.24 -3.20 -1.33 0.00 0.00 177.39 172.79 2kpj n ASN 75 N -0.34 -4.35 -4.44 -1.43 2.85 -1.25 -5.07 115.26 101.23 2kpj n ASN 75 Ca 0.00 0.67 -0.33 0.00 -0.11 0.00 0.00 54.58 54.81 2kpj n ASN 75 Cb 0.07 -3.03 -0.14 0.00 1.24 0.00 0.00 39.78 37.92 2kpj n ASN 75 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2kpj s ILE 76 N -0.71 2.95 -1.03 -1.44 1.09 -1.26 -5.06 121.20 115.75 2kpj s ILE 76 Ca -0.02 -0.75 -0.21 0.00 -1.10 0.00 0.00 60.65 58.57 2kpj s ILE 76 Cb 0.00 -2.16 0.08 0.00 -1.06 0.00 0.00 42.46 39.32 2kpj s ILE 76 CO 0.37 0.58 1.38 -0.62 -0.10 0.00 0.00 174.94 176.55 2kpj s ASP 77 N -0.48 6.60 0.38 3.58 2.15 -1.26 -4.94 116.67 122.69 2kpj s ASP 77 Ca 0.06 -1.79 0.06 0.00 0.43 0.00 0.00 52.55 51.31 2kpj s ASP 77 Cb -0.12 -2.51 -0.07 0.00 -0.30 0.00 0.00 42.92 39.92 2kpj s ASP 77 CO 0.02 -1.31 0.03 0.28 -0.17 0.00 0.00 175.17 174.01 2kpj s THR 78 N 4.09 1.67 -0.67 1.71 -1.32 -1.26 -5.11 115.64 114.75 2kpj s THR 78 Ca 0.43 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.91 2kpj s THR 78 Cb -0.01 -2.91 0.17 0.00 -1.51 0.00 0.00 72.50 68.24 2kpj s THR 78 CO -0.08 0.00 0.48 -0.69 -2.21 0.00 0.00 174.62 172.12 2kpj s VAL 79 N -2.94 3.47 0.64 5.08 1.01 -1.26 -5.09 120.40 121.32 2kpj s VAL 79 Ca 0.35 -3.43 0.06 0.00 0.00 0.00 0.00 61.98 58.96 2kpj s VAL 79 Cb 0.09 -3.26 0.11 0.00 0.00 0.00 0.00 36.38 33.32 2kpj s VAL 79 CO 0.17 -0.92 0.88 -2.16 0.00 0.00 0.00 175.10 173.07 2kpj s PRO 80 N -0.60 2.01 -0.02 2.72 0.04 -1.26 -5.13 135.00 132.76 2kpj s PRO 80 Ca 0.20 -1.48 0.03 0.00 0.04 0.00 0.00 61.00 59.79 2kpj s PRO 80 Cb -0.17 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.86 2kpj s PRO 80 CO -0.06 -1.14 -0.09 -1.50 0.04 0.00 0.00 177.00 174.25 2kpj s ILE 81 N -2.87 0.80 -0.24 0.56 2.07 -1.26 -5.13 121.20 115.13 2kpj s ILE 81 Ca 0.64 -0.38 -0.06 0.00 -1.41 0.00 0.00 60.65 59.44 2kpj s ILE 81 Cb -0.05 -0.70 -0.02 0.00 0.13 0.00 0.00 42.46 41.81 2kpj s ILE 81 CO 0.41 0.25 0.04 -1.61 -1.91 0.00 0.00 174.94 172.11 2kpj s GLU 82 N 0.12 3.58 0.51 3.50 2.02 -1.26 -5.09 118.70 122.07 2kpj s GLU 82 Ca -0.02 -0.52 -0.18 0.00 0.02 0.00 0.00 54.97 54.27 2kpj s GLU 82 Cb -0.08 -3.22 -0.08 0.00 0.10 0.00 0.00 34.13 30.85 2kpj s GLU 82 CO 0.00 -0.18 1.01 -1.12 0.02 0.00 0.00 175.26 174.99 2kpj s SER 83 N 1.55 6.41 -0.08 -0.19 0.01 -1.26 -5.01 113.70 115.13 2kpj s SER 83 Ca 0.06 1.75 -0.06 0.00 1.31 0.00 0.00 55.95 59.01 2kpj s SER 83 Cb -0.15 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.51 2kpj s SER 83 CO 0.02 -0.73 -0.15 0.61 0.41 0.00 0.00 173.24 173.40 2kpj n GLY 84 N -0.87 -0.21 3.83 3.44 0.00 -1.26 -5.12 105.19 105.01 2kpj n GLY 84 Ca 0.08 -0.09 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.27 -0.05 -0.06 1.61 1.13 -1.26 -5.17 117.35 111.29 2kpj s TYR 85 Ca -0.15 -0.49 0.04 0.00 -1.41 0.00 0.00 57.07 55.07 2kpj s TYR 85 Cb 0.05 0.74 -0.00 0.00 -1.10 0.00 0.00 41.96 41.65 2kpj s TYR 85 CO 0.19 -1.36 -0.19 0.99 -2.51 0.00 0.00 175.55 172.67 2kpj s THR 86 N -3.30 1.60 -0.23 -3.49 2.01 -1.26 -5.12 115.64 105.84 2kpj s THR 86 Ca 0.13 -0.80 -0.03 0.00 0.31 0.00 0.00 61.69 61.30 2kpj s THR 86 Cb -0.06 -1.37 0.00 0.00 0.01 0.00 0.00 72.50 71.08 2kpj s THR 86 CO 0.09 0.46 -0.05 -1.48 -0.69 0.00 0.00 174.62 172.94 2kpj s LEU 87 N 0.11 2.96 0.00 4.42 0.05 -1.26 -5.08 118.68 119.88 2kpj s LEU 87 Ca -0.07 -0.56 0.02 0.00 0.05 0.00 0.00 54.13 53.57 2kpj s LEU 87 Cb -0.13 -1.70 -0.01 0.00 -2.05 0.00 0.00 46.19 42.30 2kpj s LEU 87 CO 0.03 -0.06 0.15 -0.62 -0.55 0.00 0.00 176.35 175.30 2kpj n GLU 88 N 4.75 0.21 -3.43 1.48 1.02 -1.26 -5.03 120.64 118.39 2kpj n GLU 88 Ca -0.18 -1.32 -0.32 0.00 -0.02 0.00 0.00 57.16 55.32 2kpj n GLU 88 Cb 0.50 1.14 0.03 0.00 -0.02 0.00 0.00 31.44 33.08 2kpj n GLU 88 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2kpj n HIS 89 N -0.26 -2.76 -2.89 -0.32 1.44 -1.26 -4.87 115.22 104.30 2kpj n HIS 89 Ca 0.02 1.15 -0.43 0.00 -2.01 0.00 0.00 57.72 56.45 2kpj n HIS 89 Cb 0.25 -2.31 -0.04 0.00 0.12 0.00 0.00 29.99 28.02 2kpj n HIS 89 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2kpj s HIS 90 N -1.85 2.74 -0.03 -1.40 -3.43 -1.26 -5.01 115.29 105.05 2kpj s HIS 90 Ca 0.32 -0.66 -0.22 0.00 -0.80 0.00 0.00 55.06 53.70 2kpj s HIS 90 Cb -0.04 -4.26 -0.05 0.00 -1.43 0.00 0.00 32.58 26.80 2kpj s HIS 90 CO 0.86 -1.60 0.64 -1.58 -2.00 0.00 0.00 174.74 171.06 2kpj s HIS 91 N 3.81 3.64 -0.42 0.38 2.46 -1.26 -5.04 115.29 118.86 2kpj s HIS 91 Ca 0.22 1.22 -0.01 0.00 0.47 0.00 0.00 55.06 56.96 2kpj s HIS 91 Cb -0.17 -2.69 0.11 0.00 -0.13 0.00 0.00 32.58 29.71 2kpj s HIS 91 CO 0.08 0.25 0.19 -1.58 -2.47 0.00 0.00 174.74 171.21 2kpj s HIS 92 N 0.20 3.60 -0.41 3.88 2.46 -1.26 -4.98 115.29 118.79 2kpj s HIS 92 Ca 0.33 -2.63 0.03 0.00 0.47 0.00 0.00 55.06 53.27 2kpj s HIS 92 Cb -0.18 -3.13 0.16 0.00 -0.13 0.00 0.00 32.58 29.30 2kpj s HIS 92 CO 0.17 -0.94 0.36 -1.58 -2.47 0.00 0.00 174.74 170.28 2kpj s HIS 93 N 0.90 0.55 0.00 3.88 5.04 -1.26 -5.36 115.29 119.04 2kpj s HIS 93 Ca 0.10 -1.82 0.00 0.00 -1.54 0.00 0.00 55.06 51.80 2kpj s HIS 93 Cb -0.22 -0.71 0.00 0.00 0.04 0.00 0.00 32.58 31.69 2kpj s HIS 93 CO -0.05 -0.90 0.00 1.58 -2.34 0.00 0.00 174.74 173.03