#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 -3.44 3.17 0.31 -1.26 -4.99 118.33 112.12 2kpj n VAL 2 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.97 2kpj n VAL 2 Cb 0.00 -0.40 -0.06 0.00 -0.91 0.00 0.00 33.84 32.48 2kpj n VAL 2 CO 0.00 0.00 0.00 -0.54 -1.32 0.00 0.00 176.83 174.97 2kpj s LYS 3 N -0.80 3.92 0.16 5.55 1.02 -1.26 -4.94 119.74 123.39 2kpj s LYS 3 Ca 0.00 0.40 0.01 0.00 0.02 0.00 0.00 55.97 56.41 2kpj s LYS 3 Cb 0.00 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.24 2kpj s LYS 3 CO 0.00 0.55 0.01 -0.51 -0.92 0.00 0.00 175.35 174.48 2kpj s ASP 4 N -1.58 1.01 0.11 2.83 1.01 -1.26 -5.06 116.67 113.73 2kpj s ASP 4 Ca 0.33 -1.17 -0.19 0.00 0.71 0.00 0.00 52.55 52.23 2kpj s ASP 4 Cb -0.15 0.16 -0.06 0.00 1.01 0.00 0.00 42.92 43.87 2kpj s ASP 4 CO 0.18 -0.60 1.70 0.50 0.21 0.00 0.00 175.17 177.15 2kpj h LYS 5 N 2.74 0.34 -0.64 8.23 1.63 -1.99 -0.70 116.57 126.18 2kpj h LYS 5 Ca -0.36 -0.04 0.06 0.00 -0.85 0.00 0.00 60.65 59.45 2kpj h LYS 5 Cb 1.20 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 32.71 2kpj h LYS 5 CO 0.62 0.32 0.35 1.96 -3.45 0.00 0.00 179.45 179.26 2kpj h GLN 6 N 0.27 0.64 -0.81 1.90 7.50 -1.99 0.77 115.11 123.39 2kpj h GLN 6 Ca 0.08 -0.04 -0.02 0.00 0.50 0.00 0.00 58.65 59.17 2kpj h GLN 6 Cb 0.09 -0.14 -0.04 0.00 0.05 0.00 0.00 27.48 27.44 2kpj h GLN 6 CO -0.01 0.42 0.42 0.87 -1.50 0.00 0.00 178.83 179.03 2kpj h LYS 7 N 0.65 1.14 -0.15 1.46 1.57 -1.80 -1.08 116.57 118.36 2kpj h LYS 7 Ca 0.29 -0.15 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 2kpj h LYS 7 Cb 0.18 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2kpj h LYS 7 CO -0.18 0.86 0.01 0.00 -0.57 0.00 0.00 179.45 179.57 2kpj h ALA 8 N 1.22 0.21 -0.09 3.86 0.00 -0.15 -1.71 119.26 122.60 2kpj h ALA 8 Ca 0.28 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2kpj h ALA 8 Cb 0.06 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2kpj h ALA 8 CO -0.04 -0.11 0.06 0.82 0.00 0.00 0.00 179.25 179.98 2kpj h ILE 9 N 0.02 1.04 -0.18 0.00 2.04 -0.69 0.79 117.51 120.53 2kpj h ILE 9 Ca 0.04 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.83 2kpj h ILE 9 Cb 0.34 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.34 2kpj h ILE 9 CO 0.01 0.03 0.08 0.15 0.00 0.00 0.00 178.15 178.42 2kpj h PHE 10 N 0.10 0.16 -0.51 1.37 3.57 -1.21 -1.93 116.94 118.50 2kpj h PHE 10 Ca 0.03 0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 2kpj h PHE 10 Cb 0.01 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 2kpj h PHE 10 CO -0.07 0.09 0.04 0.66 -2.23 0.00 0.00 178.31 176.80 2kpj h SER 11 N 0.18 0.85 -0.50 0.41 4.64 -1.15 -0.87 113.55 117.12 2kpj h SER 11 Ca 0.07 -0.29 0.04 0.00 -0.47 0.00 0.00 61.79 61.15 2kpj h SER 11 Cb 0.02 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 61.84 2kpj h SER 11 CO -0.05 0.92 0.25 -0.33 -0.87 0.00 0.00 176.83 176.75 2kpj h GLU 12 N 0.74 0.47 0.55 4.77 4.39 -0.62 0.34 114.58 125.23 2kpj h GLU 12 Ca 0.15 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 2kpj h GLU 12 Cb 0.47 -0.11 0.01 0.00 -0.10 0.00 0.00 28.75 29.02 2kpj h GLU 12 CO 0.02 0.31 -0.27 -0.91 -1.16 0.00 0.00 179.01 177.00 2kpj h ASN 13 N 0.49 -0.63 -0.55 1.42 2.35 -1.22 -2.56 115.58 114.88 2kpj h ASN 13 Ca 0.22 -0.05 0.07 0.00 -0.55 0.00 0.00 56.30 56.00 2kpj h ASN 13 Cb 0.13 0.16 -0.06 0.00 0.05 0.00 0.00 38.32 38.61 2kpj h ASN 13 CO -0.16 -0.26 0.22 0.25 -1.65 0.00 0.00 177.43 175.83 2kpj h LEU 14 N -1.05 0.25 -0.57 1.61 5.85 -0.98 -2.09 115.31 118.33 2kpj h LEU 14 Ca -0.08 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.66 2kpj h LEU 14 Cb 0.64 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 2kpj h LEU 14 CO 0.12 0.16 0.18 -1.13 -0.34 0.00 0.00 178.44 177.44 2kpj h ASN 15 N 0.41 0.84 -0.22 1.25 -0.73 -0.40 -2.02 115.58 114.71 2kpj h ASN 15 Ca 0.26 -0.21 -0.08 0.00 1.87 0.00 0.00 56.30 58.14 2kpj h ASN 15 Cb 0.27 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.62 2kpj h ASN 15 CO -0.25 0.83 -0.11 0.77 -0.37 0.00 0.00 177.43 178.30 2kpj h SER 16 N 0.81 0.59 -0.03 1.15 4.64 -0.95 0.26 113.55 120.02 2kpj h SER 16 Ca 0.18 -0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 61.32 2kpj h SER 16 Cb 0.29 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2kpj h SER 16 CO -0.01 0.74 -0.05 1.88 -0.87 0.00 0.00 176.83 178.52 2kpj h TYR 17 N 0.56 0.12 -0.22 4.77 0.05 -1.26 -2.43 116.97 118.56 2kpj h TYR 17 Ca 0.10 -0.04 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 2kpj h TYR 17 Cb 0.53 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.23 2kpj h TYR 17 CO 0.02 0.62 0.08 0.82 -1.05 0.00 0.00 178.16 178.64 2kpj h ILE 18 N -0.41 1.18 0.00 -2.88 2.04 -1.19 -2.66 117.51 113.58 2kpj h ILE 18 Ca 0.00 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.30 2kpj h ILE 18 Cb 0.61 1.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 2kpj h ILE 18 CO 0.01 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.34 2kpj n ALA 19 N -2.26 1.89 0.06 1.87 0.00 0.91 -1.90 120.51 121.08 2kpj n ALA 19 Ca -0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 53.44 53.25 2kpj n ALA 19 Cb 0.14 -1.32 0.04 0.00 0.00 0.00 0.00 19.45 18.32 2kpj n ALA 19 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2kpj h LYS 20 N 0.00 0.35 -7.48 0.00 3.64 -1.06 -3.45 116.57 108.57 2kpj h LYS 20 Ca 0.00 -0.29 -0.47 0.00 -1.27 0.00 0.00 60.65 58.63 2kpj h LYS 20 Cb 0.34 0.06 0.09 0.00 -0.41 0.00 0.00 32.23 32.31 2kpj h LYS 20 CO 0.00 0.93 0.34 0.45 -2.27 0.00 0.00 179.45 178.90 2kpj s SER 21 N -6.95 4.72 -0.20 4.20 0.15 -0.80 -4.98 113.70 109.84 2kpj s SER 21 Ca -0.05 0.69 0.15 0.00 0.70 0.00 0.00 55.95 57.45 2kpj s SER 21 Cb 0.11 -1.28 0.78 0.00 -1.71 0.00 0.00 66.02 63.92 2kpj s SER 21 CO 0.83 -1.73 1.70 -1.84 1.20 0.00 0.00 173.24 173.40 2kpj n GLU 22 N -3.13 4.48 -2.93 5.44 0.28 -1.26 -4.96 120.64 118.55 2kpj n GLU 22 Ca 0.08 -3.07 -0.27 0.00 -0.16 0.00 0.00 57.16 53.74 2kpj n GLU 22 Cb 0.60 -2.14 -0.01 0.00 1.43 0.00 0.00 31.44 31.33 2kpj n GLU 22 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 2kpj s LYS 23 N -2.51 3.55 0.21 3.44 2.47 -1.26 -5.09 119.74 120.55 2kpj s LYS 23 Ca 0.53 0.04 -0.02 0.00 -1.56 0.00 0.00 55.97 54.96 2kpj s LYS 23 Cb 0.39 -2.49 -0.05 0.00 -1.46 0.00 0.00 37.83 34.23 2kpj s LYS 23 CO 0.18 -0.05 0.42 0.95 0.16 0.00 0.00 175.35 177.01 2kpj s THR 24 N -2.53 5.16 0.25 3.43 -4.23 -1.26 -4.93 115.64 111.53 2kpj s THR 24 Ca 0.45 -0.23 -0.05 0.00 -1.18 0.00 0.00 61.69 60.68 2kpj s THR 24 Cb -0.10 -3.72 0.23 0.00 1.34 0.00 0.00 72.50 70.25 2kpj s THR 24 CO 0.40 -0.18 1.88 1.56 -0.54 0.00 0.00 174.62 177.75 2kpj h GLN 25 N 2.04 1.09 -0.50 3.99 7.50 -1.98 -2.45 115.11 124.81 2kpj h GLN 25 Ca -0.48 -0.07 0.05 0.00 0.50 0.00 0.00 58.65 58.66 2kpj h GLN 25 Cb 1.19 -0.25 -0.05 0.00 0.05 0.00 0.00 27.48 28.42 2kpj h GLN 25 CO 0.68 0.72 0.23 1.25 -1.50 0.00 0.00 178.83 180.21 2kpj h LEU 26 N 1.13 0.30 -0.39 1.46 6.46 -1.95 0.25 115.31 122.56 2kpj h LEU 26 Ca 0.38 0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 58.15 2kpj h LEU 26 Cb 0.06 -0.01 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 2kpj h LEU 26 CO -0.14 0.21 0.13 -0.08 -0.62 0.00 0.00 178.44 177.93 2kpj h GLU 27 N 0.44 0.61 -0.47 1.25 4.22 -1.87 -1.81 114.58 116.96 2kpj h GLU 27 Ca 0.23 -0.13 -0.11 0.00 0.08 0.00 0.00 59.36 59.42 2kpj h GLU 27 Cb 0.18 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 2kpj h GLU 27 CO -0.19 0.61 -0.16 0.82 -2.18 0.00 0.00 179.01 177.91 2kpj h ILE 28 N 0.49 1.27 -0.61 2.32 2.04 -1.06 -2.62 117.51 119.35 2kpj h ILE 28 Ca 0.13 -1.29 0.01 0.00 1.00 0.00 0.00 64.86 64.71 2kpj h ILE 28 Cb 0.25 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 2kpj h ILE 28 CO -0.00 0.45 0.40 0.00 0.00 0.00 0.00 178.15 178.99 2kpj h ALA 29 N 1.01 0.78 -0.51 1.87 0.00 -0.31 -1.61 119.26 120.48 2kpj h ALA 29 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 2kpj h ALA 29 Cb 0.70 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2kpj h ALA 29 CO 0.05 0.18 0.30 0.87 0.00 0.00 0.00 179.25 180.65 2kpj h LYS 30 N 0.80 0.69 -0.06 0.00 1.57 -1.16 0.26 116.57 118.67 2kpj h LYS 30 Ca 0.23 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.84 2kpj h LYS 30 Cb -0.07 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 2kpj h LYS 30 CO -0.06 0.50 -0.44 0.77 -0.57 0.00 0.00 179.45 179.65 2kpj h SER 31 N 0.71 0.15 0.11 0.86 0.02 -0.95 -3.20 113.55 111.25 2kpj h SER 31 Ca 0.18 -0.06 -0.23 0.00 -0.84 0.00 0.00 61.79 60.84 2kpj h SER 31 Cb -0.01 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2kpj h SER 31 CO -0.03 0.57 -1.17 0.40 -1.14 0.00 0.00 176.83 175.46 2kpj h ILE 32 N 0.12 1.19 0.00 3.27 1.08 -0.59 -3.49 117.51 119.09 2kpj h ILE 32 Ca 0.01 -2.42 0.00 0.00 -0.39 0.00 0.00 64.86 62.06 2kpj h ILE 32 Cb 0.83 2.85 0.00 0.00 -3.07 0.00 0.00 36.82 37.42 2kpj h ILE 32 CO 0.06 0.68 0.00 0.61 -0.69 0.00 0.00 178.15 178.81 2kpj n GLY 33 N 1.69 1.41 3.94 5.37 0.00 0.83 -5.08 105.19 113.35 2kpj n GLY 33 Ca -0.22 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.51 3.18 0.19 1.61 -7.23 -0.99 -4.95 120.40 110.69 2kpj s VAL 34 Ca 0.00 -0.29 -0.09 0.00 -1.81 0.00 0.00 61.98 59.79 2kpj s VAL 34 Cb 0.00 -3.25 -0.07 0.00 0.56 0.00 0.00 36.38 33.62 2kpj s VAL 34 CO 0.00 -0.23 0.50 -0.44 -0.31 0.00 0.00 175.10 174.61 2kpj s SER 35 N -4.37 6.61 0.56 4.85 0.01 -1.26 -4.06 113.70 116.05 2kpj s SER 35 Ca 0.55 0.84 0.29 0.00 1.31 0.00 0.00 55.95 58.94 2kpj s SER 35 Cb -0.10 -2.19 1.47 0.00 0.21 0.00 0.00 66.02 65.40 2kpj s SER 35 CO 0.42 -0.01 1.92 -0.65 0.41 0.00 0.00 173.24 175.33 2kpj h PRO 36 N 2.77 0.00 -0.33 12.44 0.11 -1.90 0.12 132.00 145.21 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 0.70 0.00 0.09 1.96 -0.21 0.00 0.00 178.00 180.54 2kpj h GLN 37 N 0.00 0.22 -0.31 1.05 4.20 -1.99 0.34 115.11 118.62 2kpj h GLN 37 Ca 0.28 -0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.82 2kpj h GLN 37 Cb 1.30 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 29.03 2kpj h GLN 37 CO -0.00 0.14 -0.45 1.15 -0.67 0.00 0.00 178.83 179.00 2kpj h THR 38 N 0.22 1.28 -0.44 -0.54 2.02 -1.22 -3.06 112.91 111.18 2kpj h THR 38 Ca 0.15 -1.63 -0.02 0.00 0.77 0.00 0.00 66.41 65.68 2kpj h THR 38 Cb 0.14 1.58 -0.02 0.00 -1.74 0.00 0.00 68.15 68.11 2kpj h THR 38 CO -0.17 0.53 0.18 0.15 0.37 0.00 0.00 175.52 176.58 2kpj h PHE 39 N 0.62 0.61 -0.71 3.16 3.04 -0.87 -2.38 116.94 120.41 2kpj h PHE 39 Ca 0.03 -0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.94 2kpj h PHE 39 Cb 1.05 -0.19 -0.03 0.00 2.56 0.00 0.00 35.95 39.33 2kpj h PHE 39 CO 0.07 0.48 0.38 -0.97 -2.02 0.00 0.00 178.31 176.26 2kpj h ASN 40 N 0.62 0.89 0.67 0.41 -1.24 -0.23 -0.48 115.58 116.22 2kpj h ASN 40 Ca 0.15 -0.10 -0.02 0.00 0.71 0.00 0.00 56.30 57.04 2kpj h ASN 40 Cb 0.12 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 38.94 2kpj h ASN 40 CO -0.02 0.73 -0.08 0.71 -1.29 0.00 0.00 177.43 177.48 2kpj h THR 41 N 0.97 0.28 0.11 -3.57 1.35 -1.39 0.19 112.91 110.85 2kpj h THR 41 Ca 0.25 -0.58 -0.16 0.00 -0.55 0.00 0.00 66.41 65.37 2kpj h THR 41 Cb 0.05 1.45 0.02 0.00 -1.73 0.00 0.00 68.15 67.93 2kpj h THR 41 CO -0.04 0.08 -0.68 -0.50 -0.25 0.00 0.00 175.52 174.13 2kpj h TRP 42 N 0.00 0.48 -0.33 4.73 6.55 -1.24 0.55 115.95 126.69 2kpj h TRP 42 Ca -0.00 -0.34 -0.10 0.00 0.95 0.00 0.00 58.89 59.40 2kpj h TRP 42 Cb 0.44 -0.02 -0.02 0.00 -0.86 0.00 0.00 29.16 28.70 2kpj h TRP 42 CO 0.00 1.25 -0.20 0.00 -1.05 0.00 0.00 178.44 178.44 2kpj n LYS 44 N -4.14 1.41 -3.39 0.00 5.02 0.62 -4.83 118.16 112.85 2kpj n LYS 44 Ca 0.00 -0.60 -0.17 0.00 -2.02 0.00 0.00 58.31 55.52 2kpj n LYS 44 Cb 0.39 -1.45 0.08 0.00 -0.02 0.00 0.00 35.03 34.04 2kpj n LYS 44 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kpj n GLY 45 N 1.07 -0.35 0.10 0.72 0.00 -0.72 -4.94 105.19 101.09 2kpj n GLY 45 Ca 0.19 0.10 -0.14 0.00 0.00 0.00 0.00 46.02 46.17 2kpj n GLY 45 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2kpj n ILE 46 N -4.12 1.18 -4.09 -0.61 5.41 0.18 -4.59 119.36 112.72 2kpj n ILE 46 Ca -0.24 -0.48 -0.10 0.00 1.00 0.00 0.00 62.75 62.93 2kpj n ILE 46 Cb 0.65 -1.16 -0.10 0.00 -0.71 0.00 0.00 39.64 38.32 2kpj n ILE 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2kpj s ALA 47 N -2.41 0.62 -0.09 -1.39 0.00 -0.58 -5.00 121.76 112.90 2kpj s ALA 47 Ca -0.26 -1.07 0.03 0.00 0.00 0.00 0.00 51.96 50.67 2kpj s ALA 47 Cb 0.07 0.17 0.01 0.00 0.00 0.00 0.00 23.12 23.36 2kpj s ALA 47 CO 0.50 -0.22 -0.18 0.42 0.00 0.00 0.00 175.76 176.28 2kpj s ILE 48 N -2.91 1.64 0.71 0.00 1.01 -1.26 -4.08 121.20 116.32 2kpj s ILE 48 Ca 0.01 -0.76 -0.11 0.00 0.00 0.00 0.00 60.65 59.79 2kpj s ILE 48 Cb 0.01 -1.46 0.02 0.00 0.01 0.00 0.00 42.46 41.04 2kpj s ILE 48 CO -0.05 0.47 1.07 -2.16 0.00 0.00 0.00 174.94 174.28 2kpj s PRO 49 N 0.61 2.70 0.67 2.79 0.04 -1.26 -5.08 135.00 135.47 2kpj s PRO 49 Ca -0.14 1.08 0.05 0.00 0.04 0.00 0.00 61.00 62.03 2kpj s PRO 49 Cb -0.16 -1.96 0.12 0.00 0.04 0.00 0.00 34.50 32.54 2kpj s PRO 49 CO 0.04 -1.30 0.92 1.03 0.04 0.00 0.00 177.00 177.74 2kpj s ARG 50 N -4.85 1.90 0.29 4.56 0.52 -1.26 -4.76 118.95 115.35 2kpj s ARG 50 Ca 0.60 -1.47 0.04 0.00 -0.52 0.00 0.00 55.73 54.38 2kpj s ARG 50 Cb -0.16 -2.49 0.69 0.00 0.52 0.00 0.00 34.95 33.52 2kpj s ARG 50 CO 0.53 -1.23 1.76 0.52 0.02 0.00 0.00 175.30 176.89 2kpj h MET 51 N -0.22 0.64 -0.82 3.54 2.86 -1.97 0.81 114.93 119.75 2kpj h MET 51 Ca -0.32 -0.04 0.17 0.00 -2.06 0.00 0.00 59.70 57.46 2kpj h MET 51 Cb 1.28 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 32.74 2kpj h MET 51 CO 0.39 0.42 0.55 0.78 1.06 0.00 0.00 176.91 180.11 2kpj h GLY 52 N 0.66 0.77 0.00 8.32 0.00 -2.01 -0.16 103.07 110.66 2kpj h GLY 52 Ca 0.55 -0.18 -0.25 0.00 0.00 0.00 0.00 47.33 47.44 2kpj h GLY 52 CO -0.41 0.03 -2.21 0.28 0.00 0.00 0.00 176.54 174.23 2kpj n LYS 53 N -4.49 0.79 -0.28 4.80 4.01 0.06 -4.24 118.16 118.81 2kpj n LYS 53 Ca 0.17 -0.06 -0.04 0.00 -0.51 0.00 0.00 58.31 57.86 2kpj n LYS 53 Cb 0.61 -1.49 0.11 0.00 -0.51 0.00 0.00 35.03 33.74 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 0.00 1.25 -0.19 -0.18 2.07 -0.40 -1.98 116.25 116.82 2kpj h VAL 54 Ca -0.37 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.39 2kpj h VAL 54 Cb 1.83 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2kpj h VAL 54 CO 0.02 0.31 -0.04 1.56 0.02 0.00 0.00 177.57 179.44 2kpj h GLN 55 N 1.14 0.28 -0.18 1.57 1.08 -1.23 0.18 115.11 117.94 2kpj h GLN 55 Ca 0.27 -0.05 -0.11 0.00 -1.45 0.00 0.00 58.65 57.32 2kpj h GLN 55 Cb 0.13 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.52 2kpj h GLN 55 CO -0.03 0.33 -0.32 0.00 -0.95 0.00 0.00 178.83 177.86 2kpj h ALA 56 N 1.70 0.29 -0.31 3.87 0.00 -1.59 -1.84 119.26 121.38 2kpj h ALA 56 Ca 0.06 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2kpj h ALA 56 Cb 0.25 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2kpj h ALA 56 CO 0.01 0.32 0.09 -0.07 0.00 0.00 0.00 179.25 179.60 2kpj h LEU 57 N 0.19 0.46 -1.57 0.00 3.38 -0.86 -0.71 115.31 116.20 2kpj h LEU 57 Ca 0.01 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.72 2kpj h LEU 57 Cb 0.91 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 2kpj h LEU 57 CO 0.07 0.55 -0.23 0.00 0.09 0.00 0.00 178.44 178.92 2kpj h ALA 58 N 0.92 1.48 0.15 1.53 0.00 -0.70 -2.55 119.26 120.10 2kpj h ALA 58 Ca 0.10 -0.21 -0.30 0.00 0.00 0.00 0.00 54.91 54.51 2kpj h ALA 58 Cb 0.26 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 18.04 2kpj h ALA 58 CO -0.00 0.28 -1.27 0.22 0.00 0.00 0.00 179.25 178.48 2kpj h ASP 59 N 0.00 0.72 -0.45 0.00 3.58 -1.06 0.20 116.42 119.42 2kpj h ASP 59 Ca -0.00 -0.71 -0.04 0.00 0.42 0.00 0.00 57.03 56.70 2kpj h ASP 59 Cb 0.44 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 2kpj h ASP 59 CO 0.03 1.53 0.16 0.22 -2.88 0.00 0.00 179.24 178.30 2kpj h TYR 60 N 0.19 0.75 -0.01 0.28 3.20 -0.73 -2.11 116.97 118.55 2kpj h TYR 60 Ca -0.18 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.64 2kpj h TYR 60 Cb 1.96 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 40.00 2kpj h TYR 60 CO 0.10 0.62 -0.67 1.19 -1.64 0.00 0.00 178.16 177.76 2kpj n PHE 61 N -4.31 0.00 -3.33 -3.82 3.72 -1.05 -5.02 117.46 103.64 2kpj n PHE 61 Ca 0.04 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.32 2kpj n PHE 61 Cb 0.19 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 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 -0.76 -6.63 -3.47 4.37 2.85 -0.07 -5.04 115.26 106.51 2kpj n ASN 62 Ca 0.06 -0.35 -0.22 0.00 -0.11 0.00 0.00 54.58 53.96 2kpj n ASN 62 Cb 0.36 -3.82 -0.08 0.00 1.24 0.00 0.00 39.78 37.48 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 -1.89 0.00 -3.55 -1.44 -5.35 0.51 -5.01 119.36 102.63 2kpj n ILE 63 Ca -0.11 -2.46 -0.27 0.00 -0.27 0.00 0.00 62.75 59.64 2kpj n ILE 63 Cb 0.58 1.13 -0.03 0.00 -1.74 0.00 0.00 39.64 39.57 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 -3.43 6.39 0.44 7.28 0.01 -1.26 -4.72 114.94 119.65 2kpj s ASN 64 Ca 0.35 0.50 0.10 0.00 -0.71 0.00 0.00 52.86 53.09 2kpj s ASN 64 Cb 0.02 -2.05 0.98 0.00 0.41 0.00 0.00 41.25 40.60 2kpj s ASN 64 CO 0.24 -0.12 2.08 0.07 -1.51 0.00 0.00 177.10 177.86 2kpj h LYS 65 N 1.72 0.37 0.00 -0.60 2.10 -1.95 -1.42 116.57 116.78 2kpj h LYS 65 Ca -0.48 -0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 58.10 2kpj h LYS 65 Cb 1.19 -0.08 -0.01 0.00 -0.90 0.00 0.00 32.23 32.44 2kpj h LYS 65 CO 0.66 0.25 -0.22 0.77 -2.00 0.00 0.00 179.45 178.92 2kpj h SER 66 N 0.38 0.00 0.15 7.07 0.02 -1.98 -2.69 113.55 116.50 2kpj h SER 66 Ca 0.10 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2kpj h SER 66 Cb -0.02 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.52 2kpj h SER 66 CO -0.02 0.22 -0.06 0.44 -1.14 0.00 0.00 176.83 176.27 2kpj h ASP 67 N 0.00 0.00 0.52 3.07 3.32 -1.65 0.19 116.42 121.88 2kpj h ASP 67 Ca -0.00 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 2kpj h ASP 67 Cb 0.51 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.05 2kpj h ASP 67 CO 0.03 0.06 -1.49 0.18 -1.72 0.00 0.00 179.24 176.29 2kpj n LEU 68 N -3.83 0.46 -0.08 1.55 4.77 -1.03 -4.53 117.00 114.30 2kpj n LEU 68 Ca -0.03 0.18 -0.11 0.00 -0.03 0.00 0.00 56.01 56.03 2kpj n LEU 68 Cb 0.15 -0.02 -0.15 0.00 -2.33 0.00 0.00 43.42 41.07 2kpj n LEU 68 CO 0.29 -0.08 -1.01 -0.38 -1.33 0.00 0.00 177.39 174.89 2kpj n ILE 69 N -2.50 1.47 -1.93 -0.08 5.41 -0.26 -4.24 119.36 117.22 2kpj n ILE 69 Ca -0.03 -0.81 -0.37 0.00 1.00 0.00 0.00 62.75 62.54 2kpj n ILE 69 Cb 0.59 -0.73 0.04 0.00 -0.71 0.00 0.00 39.64 38.82 2kpj n ILE 69 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2kpj s GLU 70 N -2.52 3.05 -0.48 0.38 4.04 0.52 -4.75 118.70 118.94 2kpj s GLU 70 Ca -0.11 1.99 -0.27 0.00 0.04 0.00 0.00 54.97 56.61 2kpj s GLU 70 Cb 0.07 -2.08 0.03 0.00 0.02 0.00 0.00 34.13 32.17 2kpj s GLU 70 CO 0.81 -1.19 1.03 0.34 -1.84 0.00 0.00 175.26 174.41 2kpj s ASP 71 N -1.33 6.55 -0.03 0.83 2.15 -1.26 -4.89 116.67 118.69 2kpj s ASP 71 Ca 0.75 0.25 0.05 0.00 0.43 0.00 0.00 52.55 54.03 2kpj s ASP 71 Cb -0.34 -2.50 0.20 0.00 -0.30 0.00 0.00 42.92 39.98 2kpj s ASP 71 CO 0.39 -1.17 1.02 1.17 -0.17 0.00 0.00 175.17 176.40 2kpj n LYS 72 N 7.54 1.73 -0.80 4.34 4.81 -1.26 -3.46 118.16 131.06 2kpj n LYS 72 Ca 0.09 -0.79 0.07 0.00 -0.87 0.00 0.00 58.31 56.81 2kpj n LYS 72 Cb 0.49 -1.40 0.38 0.00 0.02 0.00 0.00 35.03 34.52 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 0.13 4.50 -2.40 1.64 5.02 -1.26 -4.79 118.16 121.00 2kpj n LYS 73 Ca 0.07 -3.09 -0.38 0.00 -2.02 0.00 0.00 58.31 52.89 2kpj n LYS 73 Cb 0.32 -2.17 -0.02 0.00 -0.02 0.00 0.00 35.03 33.14 2kpj n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2kpj s LEU 74 N -2.70 3.56 -0.14 -0.35 1.43 -1.22 -4.93 118.68 114.32 2kpj s LEU 74 Ca 0.52 -2.17 -0.29 0.00 -1.03 0.00 0.00 54.13 51.17 2kpj s LEU 74 Cb 0.40 -2.58 -0.06 0.00 0.03 0.00 0.00 46.19 43.97 2kpj s LEU 74 CO 0.16 -1.86 2.15 0.59 0.23 0.00 0.00 176.35 177.62 2kpj n ASN 75 N 10.54 3.53 -4.73 2.29 3.02 -1.26 -4.96 115.26 123.69 2kpj n ASN 75 Ca 0.47 0.42 -0.32 0.00 -0.03 0.00 0.00 54.58 55.12 2kpj n ASN 75 Cb 0.46 -1.54 0.10 0.00 -0.61 0.00 0.00 39.78 38.19 2kpj n ASN 75 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2kpj s ILE 76 N 7.13 2.69 -1.14 2.41 1.09 -1.26 -4.85 121.20 127.27 2kpj s ILE 76 Ca 0.97 0.27 -0.23 0.00 -1.10 0.00 0.00 60.65 60.57 2kpj s ILE 76 Cb -0.37 -2.65 -0.10 0.00 -1.06 0.00 0.00 42.46 38.27 2kpj s ILE 76 CO 0.38 -0.25 1.94 0.47 -0.10 0.00 0.00 174.94 177.37 2kpj n ASP 77 N -3.31 2.95 -4.75 3.58 9.92 -1.26 -4.89 116.55 118.79 2kpj n ASP 77 Ca 0.11 -2.69 -0.24 0.00 -0.53 0.00 0.00 54.79 51.45 2kpj n ASP 77 Cb 0.52 -1.67 -0.06 0.00 -0.64 0.00 0.00 41.12 39.27 2kpj n ASP 77 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2kpj s THR 78 N 10.70 4.11 -0.77 -3.53 2.01 -1.26 -5.09 115.64 121.81 2kpj s THR 78 Ca 0.68 -1.47 -0.08 0.00 0.31 0.00 0.00 61.69 61.13 2kpj s THR 78 Cb 0.01 -3.18 0.20 0.00 0.01 0.00 0.00 72.50 69.54 2kpj s THR 78 CO 0.14 -0.28 0.65 -0.69 -0.69 0.00 0.00 174.62 173.75 2kpj s VAL 79 N -2.06 4.71 0.19 3.82 1.01 -1.26 -5.07 120.40 121.74 2kpj s VAL 79 Ca 0.31 -2.89 -0.30 0.00 0.00 0.00 0.00 61.98 59.10 2kpj s VAL 79 Cb -0.08 -3.96 -0.08 0.00 0.00 0.00 0.00 36.38 32.26 2kpj s VAL 79 CO 0.23 -0.98 1.24 -2.84 0.00 0.00 0.00 175.10 172.74 2kpj s PRO 80 N -0.19 4.45 -0.07 2.72 0.02 -1.26 -5.02 135.00 135.64 2kpj s PRO 80 Ca 0.19 1.94 -0.17 0.00 0.02 0.00 0.00 61.00 62.98 2kpj s PRO 80 Cb -0.14 -3.22 -0.05 0.00 0.02 0.00 0.00 34.50 31.11 2kpj s PRO 80 CO -0.07 -0.15 0.44 -1.50 -0.33 0.00 0.00 177.00 175.40 2kpj s ILE 81 N -0.00 5.12 0.17 2.83 2.07 -1.26 -4.93 121.20 125.20 2kpj s ILE 81 Ca 0.54 0.90 0.00 0.00 -1.41 0.00 0.00 60.65 60.68 2kpj s ILE 81 Cb -0.34 -3.77 0.00 0.00 0.13 0.00 0.00 42.46 38.48 2kpj s ILE 81 CO 0.37 0.42 0.00 1.21 -1.91 0.00 0.00 174.94 175.04 2kpj n GLU 82 N 2.99 -1.45 -0.38 3.50 2.13 -1.26 -5.03 120.64 121.14 2kpj n GLU 82 Ca -0.10 0.96 0.05 0.00 0.66 0.00 0.00 57.16 58.73 2kpj n GLU 82 Cb 0.52 -1.77 -0.01 0.00 0.27 0.00 0.00 31.44 30.44 2kpj n GLU 82 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 2kpj n SER 83 N -2.81 -3.73 -4.73 4.31 7.64 -1.26 -4.93 113.62 108.10 2kpj n SER 83 Ca 0.00 0.41 -0.24 0.00 1.01 0.00 0.00 58.87 60.05 2kpj n SER 83 Cb 0.33 -1.15 -0.06 0.00 -1.01 0.00 0.00 64.21 62.32 2kpj n SER 83 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2kpj s GLY 84 N -4.10 1.62 -0.14 0.23 0.00 -1.26 -5.12 107.32 98.55 2kpj s GLY 84 Ca 0.00 -1.41 -0.01 0.00 0.00 0.00 0.00 44.72 43.30 2kpj s GLY 84 CO 0.00 -1.44 -0.10 -0.47 0.00 0.00 0.00 173.10 171.09 2kpj s TYR 85 N -1.97 2.87 -0.27 1.90 5.04 -1.26 -5.09 117.35 118.56 2kpj s TYR 85 Ca 0.31 -0.59 -0.17 0.00 -2.44 0.00 0.00 57.07 54.17 2kpj s TYR 85 Cb -0.08 -1.89 -0.03 0.00 0.35 0.00 0.00 41.96 40.31 2kpj s TYR 85 CO 0.22 -0.20 0.47 0.95 -1.34 0.00 0.00 175.55 175.64 2kpj s THR 86 N 0.44 5.10 -0.48 4.34 -4.23 -1.26 -5.04 115.64 114.51 2kpj s THR 86 Ca -0.08 0.74 -0.21 0.00 -1.18 0.00 0.00 61.69 60.95 2kpj s THR 86 Cb -0.15 -3.80 0.04 0.00 1.34 0.00 0.00 72.50 69.93 2kpj s THR 86 CO 0.04 0.08 0.71 -0.22 -0.54 0.00 0.00 174.62 174.69 2kpj s LEU 87 N 2.24 4.54 0.00 4.79 2.96 -1.26 -5.05 118.68 126.90 2kpj s LEU 87 Ca 0.19 -0.48 -0.05 0.00 -0.22 0.00 0.00 54.13 53.56 2kpj s LEU 87 Cb -0.16 -2.69 0.15 0.00 0.50 0.00 0.00 46.19 43.99 2kpj s LEU 87 CO 0.10 -0.91 0.97 -1.84 -1.32 0.00 0.00 176.35 173.35 2kpj n GLU 88 N 6.50 -0.42 -3.81 1.98 -0.00 -1.26 -5.12 120.64 118.51 2kpj n GLU 88 Ca -0.02 -2.15 -0.13 0.00 -0.00 0.00 0.00 57.16 54.86 2kpj n GLU 88 Cb 0.47 -0.80 -0.14 0.00 -0.00 0.00 0.00 31.44 30.97 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 -2.96 -0.08 -0.24 -1.84 2.46 -1.26 -5.13 115.29 106.25 2kpj s HIS 89 Ca 0.60 0.24 -0.17 0.00 0.47 0.00 0.00 55.06 56.21 2kpj s HIS 89 Cb -0.03 -0.05 -0.03 0.00 -0.13 0.00 0.00 32.58 32.34 2kpj s HIS 89 CO 0.41 -0.08 0.46 -1.01 -2.47 0.00 0.00 174.74 172.05 2kpj s HIS 90 N 0.49 3.31 0.28 3.88 3.76 -1.26 -5.06 115.29 120.68 2kpj s HIS 90 Ca -0.04 0.61 -0.20 0.00 -0.15 0.00 0.00 55.06 55.29 2kpj s HIS 90 Cb -0.05 -2.64 -0.09 0.00 1.11 0.00 0.00 32.58 30.91 2kpj s HIS 90 CO -0.02 -0.17 0.79 -1.58 -0.85 0.00 0.00 174.74 172.90 2kpj s HIS 91 N 1.90 3.57 0.40 1.40 2.46 -1.26 -5.03 115.29 118.73 2kpj s HIS 91 Ca 0.20 1.44 -0.27 0.00 0.47 0.00 0.00 55.06 56.91 2kpj s HIS 91 Cb -0.15 -2.68 -0.09 0.00 -0.13 0.00 0.00 32.58 29.52 2kpj s HIS 91 CO 0.09 0.23 1.39 -1.58 -2.47 0.00 0.00 174.74 172.39 2kpj s HIS 92 N -1.69 2.70 0.08 3.88 2.46 -1.26 -4.95 115.29 116.52 2kpj s HIS 92 Ca 0.48 1.31 -0.27 0.00 0.47 0.00 0.00 55.06 57.05 2kpj s HIS 92 Cb -0.15 -3.83 -0.12 0.00 -0.13 0.00 0.00 32.58 28.35 2kpj s HIS 92 CO 0.20 -2.51 1.43 0.45 -2.47 0.00 0.00 174.74 171.84 2kpj h HIS 93 N 2.80 -1.20 0.00 3.88 -0.00 -2.07 -3.57 115.15 114.99 2kpj h HIS 93 Ca -0.50 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 59.90 2kpj h HIS 93 Cb 1.25 0.51 0.00 0.00 -0.00 0.00 0.00 27.41 29.16 2kpj h HIS 93 CO 0.53 -0.47 0.00 1.58 -0.00 0.00 0.00 177.93 179.57