#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 0.11 -0.21 1.12 0.11 -1.26 -5.02 120.40 115.26 2kpj s VAL 2 Ca 0.00 -1.33 -0.03 0.00 -2.93 0.00 0.00 61.98 57.69 2kpj s VAL 2 Cb 0.00 -1.59 0.00 0.00 -1.53 0.00 0.00 36.38 33.27 2kpj s VAL 2 CO 0.00 -0.51 0.13 1.17 -3.33 0.00 0.00 175.10 172.56 2kpj n LYS 3 N -0.12 -1.85 -2.25 1.54 3.00 -1.26 -4.93 118.16 112.29 2kpj n LYS 3 Ca -0.11 1.73 -0.42 0.00 -0.00 0.00 0.00 58.31 59.50 2kpj n LYS 3 Cb 0.63 -3.74 -0.03 0.00 0.00 0.00 0.00 35.03 31.88 2kpj n LYS 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2kpj s ASP 4 N -1.32 6.90 0.12 3.14 1.11 -1.26 -4.93 116.67 120.43 2kpj s ASP 4 Ca 0.05 2.21 -0.13 0.00 0.18 0.00 0.00 52.55 54.86 2kpj s ASP 4 Cb -0.01 -2.58 -0.07 0.00 1.07 0.00 0.00 42.92 41.33 2kpj s ASP 4 CO 0.46 -0.61 1.44 0.50 1.18 0.00 0.00 175.17 178.15 2kpj h LYS 5 N 6.93 0.79 -0.22 8.23 3.64 -2.00 -3.21 116.57 130.74 2kpj h LYS 5 Ca -0.41 -0.41 -0.05 0.00 -1.27 0.00 0.00 60.65 58.50 2kpj h LYS 5 Cb 1.21 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 2kpj h LYS 5 CO 0.85 1.04 -0.08 0.37 -2.27 0.00 0.00 179.45 179.37 2kpj h GLN 6 N 0.57 0.34 -0.15 1.90 5.75 -1.98 0.11 115.11 121.65 2kpj h GLN 6 Ca 0.05 -0.08 -0.08 0.00 -0.15 0.00 0.00 58.65 58.40 2kpj h GLN 6 Cb 0.89 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.38 2kpj h GLN 6 CO 0.08 0.44 -0.26 0.87 -2.65 0.00 0.00 178.83 177.31 2kpj h LYS 7 N 0.33 0.27 -0.01 1.69 1.57 -1.87 0.16 116.57 118.71 2kpj h LYS 7 Ca 0.07 -0.09 -0.24 0.00 -1.87 0.00 0.00 60.65 58.52 2kpj h LYS 7 Cb 0.36 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.65 2kpj h LYS 7 CO 0.02 0.52 -0.95 0.00 -0.57 0.00 0.00 179.45 178.46 2kpj h ALA 8 N 1.49 0.30 -0.09 3.86 0.00 -1.20 -2.73 119.26 120.88 2kpj h ALA 8 Ca 0.04 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.25 2kpj h ALA 8 Cb 0.60 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 2kpj h ALA 8 CO 0.04 0.76 0.04 0.82 0.00 0.00 0.00 179.25 180.91 2kpj h ILE 9 N 0.31 1.14 0.15 0.00 2.04 -0.37 -0.04 117.51 120.75 2kpj h ILE 9 Ca -0.09 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 2kpj h ILE 9 Cb 1.59 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 38.92 2kpj h ILE 9 CO 0.17 0.12 -0.08 0.15 0.00 0.00 0.00 178.15 178.51 2kpj h PHE 10 N 0.00 -0.22 -0.63 1.37 3.57 -0.78 -1.87 116.94 118.38 2kpj h PHE 10 Ca 0.03 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 2kpj h PHE 10 Cb 0.16 0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 2kpj h PHE 10 CO -0.02 -0.14 0.28 0.66 -2.23 0.00 0.00 178.31 176.87 2kpj h SER 11 N -0.22 0.82 0.27 0.41 4.64 -1.47 -0.02 113.55 117.99 2kpj h SER 11 Ca -0.02 -0.10 -0.01 0.00 -0.47 0.00 0.00 61.79 61.20 2kpj h SER 11 Cb 0.18 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2kpj h SER 11 CO 0.02 0.72 -0.14 -0.08 -0.87 0.00 0.00 176.83 176.48 2kpj h GLU 12 N 0.90 -0.37 -0.37 4.77 4.57 -0.71 0.29 114.58 123.67 2kpj h GLU 12 Ca 0.22 0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.34 2kpj h GLU 12 Cb 0.13 0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.79 2kpj h GLU 12 CO -0.02 -0.25 -0.11 -0.91 -1.18 0.00 0.00 179.01 176.54 2kpj h ASN 13 N -0.38 0.73 -0.45 1.04 2.35 -1.10 -0.56 115.58 117.21 2kpj h ASN 13 Ca -0.03 -0.37 -0.01 0.00 -0.55 0.00 0.00 56.30 55.33 2kpj h ASN 13 Cb 0.30 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2kpj h ASN 13 CO 0.05 0.94 0.24 0.25 -1.65 0.00 0.00 177.43 177.26 2kpj h LEU 14 N 0.52 0.56 -1.09 1.61 5.85 -0.92 -2.66 115.31 119.18 2kpj h LEU 14 Ca 0.09 -0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.64 2kpj h LEU 14 Cb 0.63 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2kpj h LEU 14 CO 0.04 0.50 -0.17 -1.13 -0.34 0.00 0.00 178.44 177.34 2kpj h ASN 15 N 0.59 0.43 -0.65 1.25 -0.73 -0.28 -2.89 115.58 113.30 2kpj h ASN 15 Ca 0.16 -0.12 0.10 0.00 1.87 0.00 0.00 56.30 58.30 2kpj h ASN 15 Cb 0.06 -0.12 -0.07 0.00 0.27 0.00 0.00 38.32 38.46 2kpj h ASN 15 CO -0.02 0.62 0.27 -1.28 -0.37 0.00 0.00 177.43 176.65 2kpj h SER 16 N 0.41 0.31 -0.03 1.15 0.87 -0.73 0.54 113.55 116.06 2kpj h SER 16 Ca 0.07 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.69 2kpj h SER 16 Cb 0.53 0.04 -0.00 0.00 -0.44 0.00 0.00 62.40 62.53 2kpj h SER 16 CO 0.03 0.17 -0.02 1.88 -0.53 0.00 0.00 176.83 178.36 2kpj h TYR 17 N 0.47 0.08 -0.73 2.24 0.05 -1.50 -2.44 116.97 115.14 2kpj h TYR 17 Ca 0.33 -0.02 -0.06 0.00 0.05 0.00 0.00 58.73 59.02 2kpj h TYR 17 Cb 0.39 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 38.08 2kpj h TYR 17 CO -0.15 0.52 0.22 0.82 -1.05 0.00 0.00 178.16 178.52 2kpj h ILE 18 N -0.37 1.26 -0.05 -2.88 2.04 -1.23 0.42 117.51 116.71 2kpj h ILE 18 Ca 0.01 -0.92 -0.14 0.00 1.00 0.00 0.00 64.86 64.80 2kpj h ILE 18 Cb 0.50 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 2kpj h ILE 18 CO 0.01 0.36 -0.62 0.00 0.00 0.00 0.00 178.15 177.90 2kpj h ALA 19 N 1.14 0.88 -0.23 1.87 0.00 -0.00 -2.97 119.26 119.94 2kpj h ALA 19 Ca 0.23 -0.55 -0.18 0.00 0.00 0.00 0.00 54.91 54.41 2kpj h ALA 19 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2kpj h ALA 19 CO -0.01 0.75 -0.55 -0.22 0.00 0.00 0.00 179.25 179.22 2kpj h LYS 20 N 0.12 0.78 -7.18 0.00 3.64 -1.03 -3.45 116.57 109.45 2kpj h LYS 20 Ca -0.01 -0.53 -0.53 0.00 -1.27 0.00 0.00 60.65 58.32 2kpj h LYS 20 Cb 1.12 0.08 0.14 0.00 -0.41 0.00 0.00 32.23 33.15 2kpj h LYS 20 CO 0.09 1.15 0.39 0.45 -2.27 0.00 0.00 179.45 179.26 2kpj s SER 21 N -6.87 4.47 -0.31 4.20 0.15 0.10 -4.92 113.70 110.52 2kpj s SER 21 Ca -0.11 2.26 0.10 0.00 0.70 0.00 0.00 55.95 58.90 2kpj s SER 21 Cb 0.09 -2.58 0.73 0.00 -1.71 0.00 0.00 66.02 62.55 2kpj s SER 21 CO 0.87 -2.07 1.78 -0.62 1.20 0.00 0.00 173.24 174.40 2kpj n GLU 22 N -2.59 3.75 -4.14 5.44 1.02 -1.26 -4.92 120.64 117.93 2kpj n GLU 22 Ca 0.13 -2.98 -0.30 0.00 -0.02 0.00 0.00 57.16 53.99 2kpj n GLU 22 Cb 0.51 -2.20 -0.08 0.00 -0.02 0.00 0.00 31.44 29.65 2kpj n GLU 22 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2kpj s LYS 23 N -2.89 2.52 0.35 3.49 2.47 -1.26 -5.11 119.74 119.31 2kpj s LYS 23 Ca 0.53 -0.88 -0.23 0.00 -1.56 0.00 0.00 55.97 53.84 2kpj s LYS 23 Cb 0.43 -2.51 -0.10 0.00 -1.46 0.00 0.00 37.83 34.18 2kpj s LYS 23 CO 0.13 0.53 0.90 0.95 0.16 0.00 0.00 175.35 178.02 2kpj s THR 24 N -1.38 4.36 0.23 3.43 -4.23 -1.26 -4.96 115.64 111.83 2kpj s THR 24 Ca 0.26 1.57 -0.07 0.00 -1.18 0.00 0.00 61.69 62.27 2kpj s THR 24 Cb -0.11 -3.81 0.22 0.00 1.34 0.00 0.00 72.50 70.13 2kpj s THR 24 CO 0.18 -0.04 1.88 1.56 -0.54 0.00 0.00 174.62 177.65 2kpj h GLN 25 N 2.67 1.25 -0.51 3.99 4.20 -1.99 -2.65 115.11 122.06 2kpj h GLN 25 Ca -0.48 -0.12 0.05 0.00 0.06 0.00 0.00 58.65 58.16 2kpj h GLN 25 Cb 1.19 -0.26 -0.05 0.00 0.30 0.00 0.00 27.48 28.66 2kpj h GLN 25 CO 0.64 0.89 0.24 1.25 -0.67 0.00 0.00 178.83 181.17 2kpj h LEU 26 N 1.27 0.32 -0.35 1.46 6.46 -1.96 0.14 115.31 122.66 2kpj h LEU 26 Ca 0.33 0.04 0.03 0.00 -0.12 0.00 0.00 57.88 58.16 2kpj h LEU 26 Cb -0.04 -0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 39.85 2kpj h LEU 26 CO -0.06 0.22 0.15 -0.08 -0.62 0.00 0.00 178.44 178.05 2kpj h GLU 27 N 0.46 0.31 -0.07 1.25 4.22 -1.88 0.36 114.58 119.23 2kpj h GLU 27 Ca 0.23 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.65 2kpj h GLU 27 Cb 0.18 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 2kpj h GLU 27 CO -0.19 0.21 0.01 0.82 -2.18 0.00 0.00 179.01 177.68 2kpj h ILE 28 N 0.32 1.23 -0.45 2.32 2.04 -1.23 -2.12 117.51 119.62 2kpj h ILE 28 Ca 0.15 -0.70 0.04 0.00 1.00 0.00 0.00 64.86 65.35 2kpj h ILE 28 Cb 0.09 1.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.69 2kpj h ILE 28 CO -0.12 0.20 0.22 0.00 0.00 0.00 0.00 178.15 178.44 2kpj h ALA 29 N 0.76 0.56 -0.68 1.87 0.00 -0.45 0.82 119.26 122.13 2kpj h ALA 29 Ca 0.02 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2kpj h ALA 29 Cb 0.30 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2kpj h ALA 29 CO 0.00 -0.13 0.19 -0.22 0.00 0.00 0.00 179.25 179.09 2kpj h LYS 30 N 0.44 1.07 -0.24 0.00 3.64 -0.93 -0.03 116.57 120.52 2kpj h LYS 30 Ca 0.19 -0.23 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 2kpj h LYS 30 Cb 0.10 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2kpj h LYS 30 CO -0.14 0.93 -0.29 0.77 -2.27 0.00 0.00 179.45 178.45 2kpj h SER 31 N 1.02 0.49 -0.39 4.20 0.02 -0.69 -2.53 113.55 115.68 2kpj h SER 31 Ca 0.22 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 2kpj h SER 31 Cb 0.33 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 2kpj h SER 31 CO -0.00 0.77 0.07 0.40 -1.14 0.00 0.00 176.83 176.92 2kpj h ILE 32 N 0.42 1.24 0.00 3.27 1.08 -0.37 -3.47 117.51 119.67 2kpj h ILE 32 Ca 0.06 -0.85 0.00 0.00 -0.39 0.00 0.00 64.86 63.67 2kpj h ILE 32 Cb 0.73 1.05 0.00 0.00 -3.07 0.00 0.00 36.82 35.53 2kpj h ILE 32 CO 0.06 0.29 0.00 0.61 -0.69 0.00 0.00 178.15 178.42 2kpj n GLY 33 N -0.50 1.86 3.47 5.37 0.00 -0.14 -5.01 105.19 110.24 2kpj n GLY 33 Ca -0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 2kpj n GLY 33 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kpj s VAL 34 N -2.00 2.49 0.44 1.61 -7.23 -0.52 -5.01 120.40 110.18 2kpj s VAL 34 Ca 0.00 -2.40 -0.23 0.00 -1.81 0.00 0.00 61.98 57.54 2kpj s VAL 34 Cb 0.00 -2.31 -0.08 0.00 0.56 0.00 0.00 36.38 34.55 2kpj s VAL 34 CO 0.00 -0.40 1.08 -0.44 -0.31 0.00 0.00 175.10 175.03 2kpj s SER 35 N -3.51 6.50 0.58 4.85 0.01 -1.26 -3.69 113.70 117.18 2kpj s SER 35 Ca 0.30 2.09 0.28 0.00 1.31 0.00 0.00 55.95 59.92 2kpj s SER 35 Cb -0.05 -2.58 1.64 0.00 0.21 0.00 0.00 66.02 65.24 2kpj s SER 35 CO 0.15 -0.68 2.13 1.55 0.41 0.00 0.00 173.24 176.81 2kpj h PRO 36 N 2.16 0.00 -0.51 12.44 0.13 -1.91 -0.01 132.00 144.30 2kpj h PRO 36 Ca -0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.61 2kpj h PRO 36 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 2kpj h PRO 36 CO 0.61 0.00 0.19 1.96 -0.23 0.00 0.00 178.00 180.53 2kpj h GLN 37 N 0.00 0.78 -0.29 0.86 4.20 -1.99 0.22 115.11 118.88 2kpj h GLN 37 Ca 0.07 -0.15 -0.17 0.00 0.06 0.00 0.00 58.65 58.45 2kpj h GLN 37 Cb 0.36 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.02 2kpj h GLN 37 CO -0.00 0.70 -0.50 1.15 -0.67 0.00 0.00 178.83 179.51 2kpj h THR 38 N 0.69 1.28 -0.37 -0.54 2.02 -1.42 -2.41 112.91 112.16 2kpj h THR 38 Ca 0.17 -1.69 -0.04 0.00 0.77 0.00 0.00 66.41 65.61 2kpj h THR 38 Cb 0.23 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.20 2kpj h THR 38 CO -0.01 0.55 0.05 0.15 0.37 0.00 0.00 175.52 176.63 2kpj h PHE 39 N 0.64 0.57 -0.58 3.16 3.57 -1.04 -2.39 116.94 120.88 2kpj h PHE 39 Ca 0.03 -0.05 -0.10 0.00 3.53 0.00 0.00 57.97 61.38 2kpj h PHE 39 Cb 1.09 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 39.64 2kpj h PHE 39 CO 0.06 0.53 -0.04 -0.97 -2.23 0.00 0.00 178.31 175.66 2kpj h ASN 40 N 0.54 1.03 0.69 0.41 -1.24 -0.28 -0.05 115.58 116.68 2kpj h ASN 40 Ca 0.12 -0.31 -0.02 0.00 0.71 0.00 0.00 56.30 56.80 2kpj h ASN 40 Cb 0.27 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 39.04 2kpj h ASN 40 CO 0.00 1.10 -0.12 0.71 -1.29 0.00 0.00 177.43 177.84 2kpj h THR 41 N 0.94 0.38 0.01 -3.57 1.35 -0.95 0.11 112.91 111.18 2kpj h THR 41 Ca 0.16 -0.69 -0.13 0.00 -0.55 0.00 0.00 66.41 65.20 2kpj h THR 41 Cb 0.60 1.50 0.01 0.00 -1.73 0.00 0.00 68.15 68.53 2kpj h THR 41 CO 0.04 0.12 -0.53 -0.50 -0.25 0.00 0.00 175.52 174.40 2kpj h TRP 42 N 0.00 0.51 -0.09 4.73 6.55 -1.01 0.13 115.95 126.77 2kpj h TRP 42 Ca -0.00 -0.28 -0.03 0.00 0.95 0.00 0.00 58.89 59.53 2kpj h TRP 42 Cb 0.49 -0.05 -0.01 0.00 -0.86 0.00 0.00 29.16 28.73 2kpj h TRP 42 CO 0.00 1.11 -0.07 0.00 -1.05 0.00 0.00 178.44 178.43 2kpj n LYS 44 N -4.38 0.87 -1.76 0.00 4.76 0.31 -4.90 118.16 113.06 2kpj n LYS 44 Ca -0.01 -0.35 -0.11 0.00 -2.87 0.00 0.00 58.31 54.96 2kpj n LYS 44 Cb 0.19 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.86 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 1.25 0.60 0.15 0.72 0.00 -0.32 -4.91 105.19 102.69 2kpj n GLY 45 Ca 0.16 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.54 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 1.36 -3.17 -0.61 2.04 -0.96 -3.42 117.51 112.75 2kpj h ILE 46 Ca -0.25 -2.59 -0.12 0.00 1.00 0.00 0.00 64.86 62.89 2kpj h ILE 46 Cb 0.97 2.67 -0.20 0.00 -0.74 0.00 0.00 36.82 39.52 2kpj h ILE 46 CO 0.33 0.78 -0.33 0.00 0.00 0.00 0.00 178.15 178.92 2kpj s ALA 47 N -2.99 -0.65 -0.18 1.87 0.00 -1.06 -5.04 121.76 113.71 2kpj s ALA 47 Ca -0.07 0.19 -0.06 0.00 0.00 0.00 0.00 51.96 52.02 2kpj s ALA 47 Cb 0.07 0.09 -0.03 0.00 0.00 0.00 0.00 23.12 23.25 2kpj s ALA 47 CO 0.90 -0.25 0.02 0.42 0.00 0.00 0.00 175.76 176.85 2kpj s ILE 48 N -1.37 4.30 0.68 0.00 1.01 -1.26 -4.19 121.20 120.37 2kpj s ILE 48 Ca -0.14 -0.20 -0.16 0.00 0.00 0.00 0.00 60.65 60.15 2kpj s ILE 48 Cb -0.06 -2.93 0.01 0.00 0.01 0.00 0.00 42.46 39.50 2kpj s ILE 48 CO 0.03 0.46 1.18 -2.16 0.00 0.00 0.00 174.94 174.45 2kpj s PRO 49 N 0.56 2.50 0.68 2.79 0.04 -1.26 -5.04 135.00 135.27 2kpj s PRO 49 Ca 0.00 1.68 -0.02 0.00 0.04 0.00 0.00 61.00 62.70 2kpj s PRO 49 Cb -0.14 -1.89 0.09 0.00 0.04 0.00 0.00 34.50 32.61 2kpj s PRO 49 CO 0.02 -1.54 0.95 1.03 0.04 0.00 0.00 177.00 177.50 2kpj s ARG 50 N -3.82 1.98 0.51 4.56 0.52 -1.26 -4.76 118.95 116.68 2kpj s ARG 50 Ca 0.73 -0.82 0.23 0.00 -0.52 0.00 0.00 55.73 55.35 2kpj s ARG 50 Cb -0.27 -2.32 1.32 0.00 0.52 0.00 0.00 34.95 34.20 2kpj s ARG 50 CO 0.41 -1.23 1.99 0.52 0.02 0.00 0.00 175.30 177.01 2kpj h MET 51 N -0.41 0.08 -0.50 3.54 2.86 -1.97 -0.40 114.93 118.13 2kpj h MET 51 Ca -0.40 -0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.25 2kpj h MET 51 Cb 1.28 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.90 2kpj h MET 51 CO 0.47 0.05 0.32 0.78 1.06 0.00 0.00 176.91 179.60 2kpj h GLY 52 N 0.08 0.70 1.36 8.32 0.00 -2.00 0.82 103.07 112.35 2kpj h GLY 52 Ca 0.26 -0.25 -0.27 0.00 0.00 0.00 0.00 47.33 47.07 2kpj h GLY 52 CO -0.02 0.24 -1.45 0.50 0.00 0.00 0.00 176.54 175.81 2kpj h LYS 53 N 0.65 0.06 -0.31 4.80 6.56 -1.60 -3.31 116.57 123.42 2kpj h LYS 53 Ca 0.19 -0.10 -0.05 0.00 -1.06 0.00 0.00 60.65 59.63 2kpj h LYS 53 Cb -0.05 0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 31.63 2kpj h LYS 53 CO -0.06 0.81 -0.02 0.28 -2.06 0.00 0.00 179.45 178.41 2kpj h VAL 54 N 0.02 1.19 -0.85 0.50 2.07 -0.99 -1.97 116.25 116.23 2kpj h VAL 54 Ca -0.19 -0.78 0.13 0.00 0.82 0.00 0.00 66.70 66.69 2kpj h VAL 54 Cb 1.93 0.98 -0.09 0.00 -1.52 0.00 0.00 31.29 32.59 2kpj h VAL 54 CO 0.11 0.26 0.45 -0.61 0.02 0.00 0.00 177.57 177.81 2kpj h GLN 55 N 0.47 0.65 -0.39 1.57 5.75 -0.92 0.28 115.11 122.52 2kpj h GLN 55 Ca 0.10 -0.04 -0.16 0.00 -0.15 0.00 0.00 58.65 58.40 2kpj h GLN 55 Cb 0.33 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 2kpj h GLN 55 CO 0.01 0.43 -0.39 0.00 -2.65 0.00 0.00 178.83 176.23 2kpj h ALA 56 N 1.53 0.57 -0.17 3.38 0.00 -1.51 -0.92 119.26 122.14 2kpj h ALA 56 Ca 0.45 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2kpj h ALA 56 Cb 0.59 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2kpj h ALA 56 CO -0.33 0.68 0.10 -0.07 0.00 0.00 0.00 179.25 179.62 2kpj h LEU 57 N 0.77 0.21 -1.61 0.00 3.38 -0.84 0.18 115.31 117.40 2kpj h LEU 57 Ca 0.06 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2kpj h LEU 57 Cb 0.98 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 2kpj h LEU 57 CO 0.10 0.23 -0.21 0.00 0.09 0.00 0.00 178.44 178.64 2kpj h ALA 58 N 1.00 1.51 -0.06 1.53 0.00 -0.43 -2.00 119.26 120.80 2kpj h ALA 58 Ca 0.06 -0.19 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 2kpj h ALA 58 Cb 0.06 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.83 2kpj h ALA 58 CO -0.01 0.27 -0.75 0.22 0.00 0.00 0.00 179.25 178.98 2kpj h ASP 59 N 0.00 0.77 -0.71 0.00 3.58 -0.67 0.23 116.42 119.62 2kpj h ASP 59 Ca -0.00 -0.69 -0.06 0.00 0.42 0.00 0.00 57.03 56.70 2kpj h ASP 59 Cb 0.41 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.20 2kpj h ASP 59 CO 0.03 1.35 0.22 0.22 -2.88 0.00 0.00 179.24 178.17 2kpj h TYR 60 N 0.25 1.14 -0.00 0.28 3.20 -0.62 -2.65 116.97 118.57 2kpj h TYR 60 Ca -0.08 -0.12 0.00 0.00 3.14 0.00 0.00 58.73 61.68 2kpj h TYR 60 Cb 1.40 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 39.34 2kpj h TYR 60 CO 0.11 0.91 -0.38 1.19 -1.64 0.00 0.00 178.16 178.35 2kpj n PHE 61 N -4.29 0.00 -3.52 -3.82 3.72 -0.78 -4.97 117.46 103.80 2kpj n PHE 61 Ca 0.05 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.22 2kpj n PHE 61 Cb 0.23 -0.16 0.05 0.00 -0.94 0.00 0.00 39.48 38.66 2kpj n PHE 61 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2kpj n ASN 62 N -0.96 -4.91 -1.72 4.37 4.13 0.07 -5.02 115.26 111.22 2kpj n ASN 62 Ca 0.09 -0.85 -0.04 0.00 1.68 0.00 0.00 54.58 55.46 2kpj n ASN 62 Cb 0.35 -4.26 -0.01 0.00 -1.54 0.00 0.00 39.78 34.32 2kpj n ASN 62 CO 0.00 0.00 0.00 2.30 0.28 0.00 0.00 177.26 179.84 2kpj n ILE 63 N -3.84 0.00 -3.59 2.41 -5.35 0.59 -5.02 119.36 104.55 2kpj n ILE 63 Ca -0.13 -0.46 -0.22 0.00 -0.27 0.00 0.00 62.75 61.66 2kpj n ILE 63 Cb 0.62 0.19 -0.01 0.00 -1.74 0.00 0.00 39.64 38.70 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 -1.47 6.27 0.35 7.28 0.01 -1.26 -4.62 114.94 121.50 2kpj s ASN 64 Ca 0.05 0.27 0.08 0.00 -0.71 0.00 0.00 52.86 52.55 2kpj s ASN 64 Cb 0.00 -1.91 0.65 0.00 0.41 0.00 0.00 41.25 40.41 2kpj s ASN 64 CO 0.04 -0.23 1.84 0.50 -1.51 0.00 0.00 177.10 177.74 2kpj h LYS 65 N 0.90 0.28 0.00 -0.60 3.11 -1.94 -2.40 116.57 115.92 2kpj h LYS 65 Ca -0.50 -0.08 -0.09 0.00 -2.81 0.00 0.00 60.65 57.16 2kpj h LYS 65 Cb 1.23 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.41 2kpj h LYS 65 CO 0.61 0.48 -0.44 0.66 -2.81 0.00 0.00 179.45 177.94 2kpj h SER 66 N 0.26 0.00 0.14 4.20 4.64 -2.00 -3.29 113.55 117.50 2kpj h SER 66 Ca 0.05 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.36 2kpj h SER 66 Cb 0.50 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.59 2kpj h SER 66 CO 0.03 0.44 -0.04 0.44 -0.87 0.00 0.00 176.83 176.83 2kpj h ASP 67 N 0.00 0.00 0.91 4.97 3.32 -1.78 0.21 116.42 124.05 2kpj h ASP 67 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2kpj h ASP 67 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2kpj h ASP 67 CO 0.06 0.04 -1.08 0.18 -1.72 0.00 0.00 179.24 176.72 2kpj n LEU 68 N -3.74 0.78 0.01 1.55 4.77 -1.24 -4.35 117.00 114.78 2kpj n LEU 68 Ca -0.03 0.30 -0.22 0.00 -0.03 0.00 0.00 56.01 56.03 2kpj n LEU 68 Cb 0.14 -0.06 -0.14 0.00 -2.33 0.00 0.00 43.42 41.03 2kpj n LEU 68 CO 0.28 -0.17 -0.60 0.40 -1.33 0.00 0.00 177.39 175.97 2kpj h ILE 69 N 0.00 0.85 -3.70 -0.08 1.08 -1.13 -3.43 117.51 111.09 2kpj h ILE 69 Ca 0.00 -2.38 -0.50 0.00 -0.39 0.00 0.00 64.86 61.59 2kpj h ILE 69 Cb 0.99 2.60 -0.03 0.00 -3.07 0.00 0.00 36.82 37.32 2kpj h ILE 69 CO 0.00 0.78 0.22 -1.83 -0.69 0.00 0.00 178.15 176.62 2kpj s GLU 70 N -2.52 4.42 -0.19 2.37 -1.05 -0.63 -4.68 118.70 116.43 2kpj s GLU 70 Ca -0.21 1.09 -0.05 0.00 -0.15 0.00 0.00 54.97 55.65 2kpj s GLU 70 Cb 0.06 -2.87 -0.03 0.00 -0.44 0.00 0.00 34.13 30.85 2kpj s GLU 70 CO 0.77 0.36 -0.00 0.34 0.95 0.00 0.00 175.26 177.67 2kpj s ASP 71 N -1.60 4.87 0.00 0.83 -1.08 -1.26 -4.57 116.67 113.85 2kpj s ASP 71 Ca 0.46 -0.17 0.00 0.00 -0.52 0.00 0.00 52.55 52.32 2kpj s ASP 71 Cb -0.18 -1.82 0.00 0.00 -1.46 0.00 0.00 42.92 39.46 2kpj s ASP 71 CO 0.23 0.09 0.00 1.17 0.52 0.00 0.00 175.17 177.18 2kpj n LYS 72 N 4.05 -1.01 -0.11 4.34 4.81 -1.26 -4.76 118.16 124.22 2kpj n LYS 72 Ca -0.17 0.25 0.11 0.00 -0.87 0.00 0.00 58.31 57.63 2kpj n LYS 72 Cb 0.52 -4.12 0.32 0.00 0.02 0.00 0.00 35.03 31.77 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 -0.83 1.95 -2.38 1.64 0.00 -1.26 -3.85 118.16 113.44 2kpj n LYS 73 Ca 0.00 -1.44 -0.41 0.00 0.00 0.00 0.00 58.31 56.46 2kpj n LYS 73 Cb 0.25 -1.42 0.01 0.00 0.00 0.00 0.00 35.03 33.86 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 0.67 7.41 -1.92 3.14 4.77 -1.26 -4.75 117.00 125.05 2kpj n LEU 74 Ca 0.17 -5.04 -0.01 0.00 -0.03 0.00 0.00 56.01 51.10 2kpj n LEU 74 Cb 0.41 -1.31 -0.01 0.00 -2.33 0.00 0.00 43.42 40.18 2kpj n LEU 74 CO 0.14 1.90 -0.34 -3.20 -1.33 0.00 0.00 177.39 174.56 2kpj n ASN 75 N 1.49 -5.34 -4.66 -1.43 2.85 -1.26 -4.84 115.26 102.07 2kpj n ASN 75 Ca 0.49 1.09 -0.59 0.00 -0.11 0.00 0.00 54.58 55.46 2kpj n ASN 75 Cb 0.28 -3.64 -0.08 0.00 1.24 0.00 0.00 39.78 37.58 2kpj n ASN 75 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 2kpj n ILE 76 N 1.12 0.11 -2.66 -1.44 2.08 -1.25 -4.83 119.36 112.49 2kpj n ILE 76 Ca -0.07 -0.02 -0.42 0.00 0.56 0.00 0.00 62.75 62.80 2kpj n ILE 76 Cb 0.10 -0.74 -0.02 0.00 -0.75 0.00 0.00 39.64 38.23 2kpj n ILE 76 CO 0.00 0.00 0.00 -1.81 0.56 0.00 0.00 176.55 175.30 2kpj s ASP 77 N 2.15 6.62 0.33 4.38 1.01 -1.26 -4.98 116.67 124.92 2kpj s ASP 77 Ca 0.96 -1.84 -0.29 0.00 0.71 0.00 0.00 52.55 52.09 2kpj s ASP 77 Cb -1.19 -2.53 -0.12 0.00 1.01 0.00 0.00 42.92 40.09 2kpj s ASP 77 CO 0.65 -1.32 1.39 1.07 0.21 0.00 0.00 175.17 177.17 2kpj n THR 78 N 6.39 1.71 -3.92 -1.27 5.66 -1.26 -4.98 114.28 116.62 2kpj n THR 78 Ca 0.34 -0.43 -0.29 0.00 -3.05 0.00 0.00 64.05 60.62 2kpj n THR 78 Cb 0.49 -1.70 -0.13 0.00 -1.55 0.00 0.00 70.33 67.44 2kpj n THR 78 CO 0.00 0.00 0.00 -0.69 -3.05 0.00 0.00 175.07 171.33 2kpj s VAL 79 N -0.79 2.62 0.22 1.08 1.01 -1.26 -5.09 120.40 118.18 2kpj s VAL 79 Ca 0.58 -3.60 -0.03 0.00 0.00 0.00 0.00 61.98 58.93 2kpj s VAL 79 Cb -0.55 -2.79 0.05 0.00 0.00 0.00 0.00 36.38 33.09 2kpj s VAL 79 CO 0.59 -0.87 0.29 -0.81 0.00 0.00 0.00 175.10 174.30 2kpj n PRO 80 N 2.75 -0.22 -1.98 2.72 -0.04 -1.26 -5.02 135.00 131.95 2kpj n PRO 80 Ca 0.10 -0.48 -0.41 0.00 -0.04 0.00 0.00 63.50 62.67 2kpj n PRO 80 Cb 0.33 -0.29 -0.01 0.00 -0.04 0.00 0.00 33.50 33.49 2kpj n PRO 80 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2kpj s ILE 81 N -1.54 2.42 -0.31 0.52 2.07 -1.26 -4.89 121.20 118.21 2kpj s ILE 81 Ca 0.17 0.43 -0.29 0.00 -1.41 0.00 0.00 60.65 59.55 2kpj s ILE 81 Cb -0.00 -3.27 -0.01 0.00 0.13 0.00 0.00 42.46 39.30 2kpj s ILE 81 CO 0.12 0.10 1.61 -1.83 -1.91 0.00 0.00 174.94 173.03 2kpj s GLU 82 N -1.93 3.60 0.76 3.50 1.03 -1.26 -4.99 118.70 119.41 2kpj s GLU 82 Ca 0.51 1.39 -0.08 0.00 0.03 0.00 0.00 54.97 56.81 2kpj s GLU 82 Cb -0.43 -4.08 0.10 0.00 -0.80 0.00 0.00 34.13 28.93 2kpj s GLU 82 CO 0.57 -1.54 1.08 0.45 -1.33 0.00 0.00 175.26 174.50 2kpj s SER 83 N 4.69 4.39 -0.23 0.83 0.15 -1.26 -4.96 113.70 117.31 2kpj s SER 83 Ca 0.71 0.31 -0.29 0.00 0.70 0.00 0.00 55.95 57.38 2kpj s SER 83 Cb -0.21 -0.79 -0.06 0.00 -1.71 0.00 0.00 66.02 63.26 2kpj s SER 83 CO 0.31 -1.88 2.23 0.61 1.20 0.00 0.00 173.24 175.71 2kpj n GLY 84 N -3.10 0.97 3.12 9.45 0.00 -1.26 -4.93 105.19 109.44 2kpj n GLY 84 Ca 0.10 0.79 -0.12 0.00 0.00 0.00 0.00 46.02 46.79 2kpj n GLY 84 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2kpj s TYR 85 N 8.37 -0.35 -0.68 1.61 5.04 -1.26 -5.10 117.35 124.98 2kpj s TYR 85 Ca 1.02 0.83 -0.26 0.00 -2.44 0.00 0.00 57.07 56.21 2kpj s TYR 85 Cb -0.37 0.09 -0.01 0.00 0.35 0.00 0.00 41.96 42.03 2kpj s TYR 85 CO 0.36 -0.22 1.68 0.99 -1.34 0.00 0.00 175.55 177.03 2kpj s THR 86 N 0.90 3.48 -0.04 4.34 2.01 -1.26 -4.94 115.64 120.14 2kpj s THR 86 Ca -0.06 0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.16 2kpj s THR 86 Cb -0.07 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 68.18 2kpj s THR 86 CO -0.06 -1.22 -0.10 -0.22 -0.69 0.00 0.00 174.62 172.33 2kpj s LEU 87 N 8.05 1.72 -0.08 4.42 2.96 -1.26 -5.13 118.68 129.35 2kpj s LEU 87 Ca 0.57 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 54.31 2kpj s LEU 87 Cb -0.10 -0.64 -0.00 0.00 0.50 0.00 0.00 46.19 45.94 2kpj s LEU 87 CO 0.17 0.06 -0.23 -1.83 -1.32 0.00 0.00 176.35 173.19 2kpj s GLU 88 N 0.35 2.75 -0.15 1.98 1.03 -1.26 -5.11 118.70 118.29 2kpj s GLU 88 Ca -0.06 -0.85 -0.03 0.00 0.03 0.00 0.00 54.97 54.06 2kpj s GLU 88 Cb -0.11 -2.17 0.05 0.00 -0.80 0.00 0.00 34.13 31.10 2kpj s GLU 88 CO 0.01 0.24 0.03 -1.01 -1.33 0.00 0.00 175.26 173.20 2kpj s HIS 89 N 0.19 0.78 -0.48 4.83 3.76 -1.26 -5.10 115.29 118.02 2kpj s HIS 89 Ca -0.13 -0.55 -0.20 0.00 -0.15 0.00 0.00 55.06 54.03 2kpj s HIS 89 Cb -0.16 -0.90 0.04 0.00 1.11 0.00 0.00 32.58 32.67 2kpj s HIS 89 CO 0.07 -0.50 0.65 -1.58 -0.85 0.00 0.00 174.74 172.53 2kpj s HIS 90 N 1.94 3.04 -0.37 1.40 5.04 -1.26 -5.01 115.29 120.06 2kpj s HIS 90 Ca 0.01 -0.27 -0.29 0.00 -1.54 0.00 0.00 55.06 52.98 2kpj s HIS 90 Cb -0.15 -3.47 -0.00 0.00 0.04 0.00 0.00 32.58 29.00 2kpj s HIS 90 CO -0.07 -0.98 1.54 -1.58 -2.34 0.00 0.00 174.74 171.31 2kpj s HIS 91 N 2.81 2.21 0.28 3.88 2.46 -1.26 -4.99 115.29 120.69 2kpj s HIS 91 Ca 0.20 0.65 -0.25 0.00 0.47 0.00 0.00 55.06 56.13 2kpj s HIS 91 Cb -0.16 -4.22 -0.09 0.00 -0.13 0.00 0.00 32.58 27.97 2kpj s HIS 91 CO 0.16 -2.33 0.88 -1.01 -2.47 0.00 0.00 174.74 169.97 2kpj s HIS 92 N 5.82 3.72 -0.00 3.88 3.76 -1.26 -5.07 115.29 126.13 2kpj s HIS 92 Ca 0.67 1.69 0.04 0.00 -0.15 0.00 0.00 55.06 57.32 2kpj s HIS 92 Cb -0.17 -2.84 -0.01 0.00 1.11 0.00 0.00 32.58 30.66 2kpj s HIS 92 CO 0.32 0.28 -0.14 -1.58 -0.85 0.00 0.00 174.74 172.78 2kpj s HIS 93 N -1.53 1.23 -0.46 1.40 2.46 -1.26 -5.33 115.29 111.78 2kpj s HIS 93 Ca 0.47 -0.24 0.04 0.00 0.47 0.00 0.00 55.06 55.79 2kpj s HIS 93 Cb -0.19 -0.78 0.03 0.00 -0.13 0.00 0.00 32.58 31.51 2kpj s HIS 93 CO 0.24 -0.01 0.62 1.58 -2.47 0.00 0.00 174.74 174.69