#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 -6.80 -4.10 2.03 0.31 -1.26 -5.03 118.33 103.48 2kpj n VAL 2 Ca 0.00 0.32 -0.11 0.00 -0.01 0.00 0.00 64.34 64.54 2kpj n VAL 2 Cb 0.00 -5.03 -0.11 0.00 -0.91 0.00 0.00 33.84 27.80 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 -2.83 0.65 -0.04 5.55 -0.14 -1.26 -5.04 119.74 116.63 2kpj s LYS 3 Ca 0.27 -1.05 -0.03 0.00 -1.36 0.00 0.00 55.97 53.79 2kpj s LYS 3 Cb -0.04 -0.15 0.01 0.00 -1.68 0.00 0.00 37.83 35.97 2kpj s LYS 3 CO 0.83 -0.01 0.06 -3.47 -0.76 0.00 0.00 175.35 172.01 2kpj n ASP 4 N 0.66 -3.63 0.16 2.83 -0.08 -1.26 -4.87 116.55 110.36 2kpj n ASP 4 Ca -0.17 0.85 0.01 0.00 -1.51 0.00 0.00 54.79 53.97 2kpj n ASP 4 Cb 0.58 -3.23 0.27 0.00 2.34 0.00 0.00 41.12 41.09 2kpj n ASP 4 CO 0.00 0.00 0.00 0.50 0.12 0.00 0.00 177.20 177.82 2kpj h LYS 5 N 2.19 0.00 -0.51 -0.67 1.63 -2.02 -3.27 116.57 113.92 2kpj h LYS 5 Ca -0.15 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.55 2kpj h LYS 5 Cb 0.33 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.94 2kpj h LYS 5 CO 0.00 0.49 -0.09 0.37 -3.45 0.00 0.00 179.45 176.77 2kpj h GLN 6 N 0.00 0.97 -0.64 1.90 5.75 -1.99 -2.38 115.11 118.72 2kpj h GLN 6 Ca -0.00 -0.36 0.09 0.00 -0.15 0.00 0.00 58.65 58.23 2kpj h GLN 6 Cb 0.90 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.35 2kpj h GLN 6 CO 0.06 1.02 0.43 0.87 -2.65 0.00 0.00 178.83 178.57 2kpj h LYS 7 N 0.83 0.48 -0.08 1.69 1.57 -1.90 0.27 116.57 119.43 2kpj h LYS 7 Ca 0.13 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 2kpj h LYS 7 Cb 0.65 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.85 2kpj h LYS 7 CO 0.04 0.32 -0.20 0.00 -0.57 0.00 0.00 179.45 179.04 2kpj h ALA 8 N 1.67 0.14 0.09 3.86 0.00 -1.58 -2.42 119.26 121.01 2kpj h ALA 8 Ca 0.29 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2kpj h ALA 8 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2kpj h ALA 8 CO -0.09 0.09 -0.04 0.82 0.00 0.00 0.00 179.25 180.03 2kpj h ILE 9 N -0.19 1.14 -0.15 0.00 2.04 -0.93 -1.43 117.51 118.00 2kpj h ILE 9 Ca -0.00 -0.90 0.02 0.00 1.00 0.00 0.00 64.86 64.98 2kpj h ILE 9 Cb 0.80 1.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.58 2kpj h ILE 9 CO 0.04 0.22 0.04 0.15 0.00 0.00 0.00 178.15 178.60 2kpj h PHE 10 N -0.53 0.06 -0.25 1.37 3.57 -0.62 -0.69 116.94 119.86 2kpj h PHE 10 Ca -0.01 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 2kpj h PHE 10 Cb 0.44 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.16 2kpj h PHE 10 CO 0.06 0.03 -0.35 1.03 -2.23 0.00 0.00 178.31 176.85 2kpj h SER 11 N 0.10 0.56 0.22 0.41 0.87 -1.50 -0.37 113.55 113.84 2kpj h SER 11 Ca 0.06 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.39 2kpj h SER 11 Cb 0.05 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2kpj h SER 11 CO -0.08 0.87 -0.10 -0.08 -0.53 0.00 0.00 176.83 176.90 2kpj h GLU 12 N 0.46 -0.28 -0.32 2.24 4.57 -0.88 0.16 114.58 120.53 2kpj h GLU 12 Ca 0.05 0.02 0.01 0.00 -1.18 0.00 0.00 59.36 58.25 2kpj h GLU 12 Cb 0.82 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 29.46 2kpj h GLU 12 CO 0.07 -0.16 0.21 -0.91 -1.18 0.00 0.00 179.01 177.04 2kpj h ASN 13 N -0.34 0.35 -0.52 1.04 4.21 -0.99 -1.54 115.58 117.80 2kpj h ASN 13 Ca -0.03 -0.01 0.05 0.00 1.21 0.00 0.00 56.30 57.53 2kpj h ASN 13 Cb 0.26 -0.09 -0.05 0.00 -1.12 0.00 0.00 38.32 37.32 2kpj h ASN 13 CO 0.05 0.26 0.24 0.25 -1.29 0.00 0.00 177.43 176.94 2kpj h LEU 14 N 0.42 0.32 -0.84 1.61 5.85 -0.95 -2.13 115.31 119.60 2kpj h LEU 14 Ca 0.12 0.04 0.05 0.00 0.84 0.00 0.00 57.88 58.92 2kpj h LEU 14 Cb -0.04 -0.02 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 2kpj h LEU 14 CO -0.03 0.22 0.53 -1.13 -0.34 0.00 0.00 178.44 177.69 2kpj h ASN 15 N 0.47 0.85 -0.02 1.25 -0.73 -0.23 -1.71 115.58 115.47 2kpj h ASN 15 Ca 0.24 0.01 0.02 0.00 1.87 0.00 0.00 56.30 58.43 2kpj h ASN 15 Cb 0.18 -0.18 -0.03 0.00 0.27 0.00 0.00 38.32 38.57 2kpj h ASN 15 CO -0.19 0.57 -0.11 0.28 -0.37 0.00 0.00 177.43 177.61 2kpj h SER 16 N 1.00 -0.33 -0.33 1.15 0.02 -0.61 0.15 113.55 114.59 2kpj h SER 16 Ca 0.35 0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 61.27 2kpj h SER 16 Cb 0.09 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2kpj h SER 16 CO -0.14 -0.16 -0.12 1.88 -1.14 0.00 0.00 176.83 177.15 2kpj h TYR 17 N -0.19 0.75 -0.23 3.45 -1.99 -1.31 -2.09 116.97 115.36 2kpj h TYR 17 Ca 0.05 -0.17 -0.00 0.00 2.00 0.00 0.00 58.73 60.60 2kpj h TYR 17 Cb 0.25 -0.18 -0.01 0.00 2.00 0.00 0.00 36.73 38.79 2kpj h TYR 17 CO -0.18 0.85 0.14 0.82 -0.00 0.00 0.00 178.16 179.79 2kpj h ILE 18 N 0.43 1.08 0.00 -2.88 2.04 -1.11 -2.44 117.51 114.63 2kpj h ILE 18 Ca 0.08 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.74 2kpj h ILE 18 Cb 0.63 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 2kpj h ILE 18 CO 0.04 0.08 0.00 0.00 0.00 0.00 0.00 178.15 178.27 2kpj h ALA 19 N 1.05 1.00 0.00 1.87 0.00 -0.67 -2.12 119.26 120.39 2kpj h ALA 19 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2kpj h ALA 19 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2kpj h ALA 19 CO -0.02 0.00 -0.11 0.87 0.00 0.00 0.00 179.25 179.99 2kpj h LYS 20 N 0.00 0.00 -5.65 0.00 1.57 -0.89 -3.44 116.57 108.17 2kpj h LYS 20 Ca 0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 2kpj h LYS 20 Cb 0.49 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.72 2kpj h LYS 20 CO 0.00 0.00 -0.49 0.45 -0.57 0.00 0.00 179.45 178.84 2kpj s SER 21 N -4.82 6.30 -0.68 0.86 0.15 -0.80 -5.06 113.70 109.65 2kpj s SER 21 Ca 0.09 0.44 -0.14 0.00 0.70 0.00 0.00 55.95 57.03 2kpj s SER 21 Cb 0.11 -2.03 0.17 0.00 -1.71 0.00 0.00 66.02 62.57 2kpj s SER 21 CO 0.63 0.40 0.63 -0.70 1.20 0.00 0.00 173.24 175.40 2kpj s GLU 22 N -0.95 3.27 0.14 5.44 2.12 -1.26 -4.95 118.70 122.50 2kpj s GLU 22 Ca 0.15 -2.10 -0.07 0.00 0.36 0.00 0.00 54.97 53.31 2kpj s GLU 22 Cb -0.12 -4.34 0.03 0.00 0.26 0.00 0.00 34.13 29.96 2kpj s GLU 22 CO 0.04 -1.30 0.34 1.17 -0.54 0.00 0.00 175.26 174.96 2kpj n LYS 23 N 4.57 0.42 -3.97 4.30 4.81 -1.26 -5.16 118.16 121.87 2kpj n LYS 23 Ca 0.00 -0.84 -0.36 0.00 -0.87 0.00 0.00 58.31 56.24 2kpj n LYS 23 Cb 0.43 1.06 -0.07 0.00 0.02 0.00 0.00 35.03 36.48 2kpj n LYS 23 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2kpj s THR 24 N -2.58 5.23 0.39 3.15 -4.23 -1.26 -4.98 115.64 111.35 2kpj s THR 24 Ca 0.07 0.11 0.06 0.00 -1.18 0.00 0.00 61.69 60.75 2kpj s THR 24 Cb -0.02 -3.28 0.23 0.00 1.34 0.00 0.00 72.50 70.77 2kpj s THR 24 CO 0.04 0.59 1.99 1.56 -0.54 0.00 0.00 174.62 178.27 2kpj h GLN 25 N 5.30 0.52 -0.53 3.99 4.20 -1.99 -2.23 115.11 124.36 2kpj h GLN 25 Ca -0.52 -0.06 0.08 0.00 0.06 0.00 0.00 58.65 58.22 2kpj h GLN 25 Cb 1.21 -0.10 -0.06 0.00 0.30 0.00 0.00 27.48 28.82 2kpj h GLN 25 CO 0.60 0.42 0.17 1.25 -0.67 0.00 0.00 178.83 180.60 2kpj h LEU 26 N 0.52 0.15 -0.53 1.46 6.46 -1.93 0.55 115.31 121.98 2kpj h LEU 26 Ca 0.13 0.07 0.05 0.00 -0.12 0.00 0.00 57.88 58.02 2kpj h LEU 26 Cb 0.08 0.07 -0.05 0.00 -0.73 0.00 0.00 40.66 40.03 2kpj h LEU 26 CO -0.02 0.10 0.26 -0.08 -0.62 0.00 0.00 178.44 178.09 2kpj h GLU 27 N 0.34 0.49 -0.15 1.25 4.22 -1.82 0.27 114.58 119.18 2kpj h GLU 27 Ca 0.26 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.66 2kpj h GLU 27 Cb 0.31 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 2kpj h GLU 27 CO -0.28 0.32 0.05 0.82 -2.18 0.00 0.00 179.01 177.74 2kpj h ILE 28 N 0.51 1.18 -0.82 2.32 2.04 -1.28 -0.95 117.51 120.50 2kpj h ILE 28 Ca 0.24 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.53 2kpj h ILE 28 Cb 0.17 1.25 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 2kpj h ILE 28 CO -0.18 0.17 0.40 0.00 0.00 0.00 0.00 178.15 178.54 2kpj h ALA 29 N 0.87 1.15 -0.74 1.87 0.00 -0.53 -0.79 119.26 121.10 2kpj h ALA 29 Ca 0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2kpj h ALA 29 Cb 0.21 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2kpj h ALA 29 CO -0.00 0.64 0.32 -0.22 0.00 0.00 0.00 179.25 179.99 2kpj h LYS 30 N 1.17 1.08 -0.63 0.00 3.11 -0.29 0.21 116.57 121.23 2kpj h LYS 30 Ca 0.28 -0.18 -0.08 0.00 -2.81 0.00 0.00 60.65 57.86 2kpj h LYS 30 Cb 0.11 -0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 31.13 2kpj h LYS 30 CO -0.04 0.88 0.07 1.03 -2.81 0.00 0.00 179.45 178.58 2kpj h SER 31 N 1.05 1.02 -0.41 4.20 0.87 -0.56 -2.79 113.55 116.93 2kpj h SER 31 Ca 0.25 -0.28 -0.03 0.00 -1.23 0.00 0.00 61.79 60.50 2kpj h SER 31 Cb 0.18 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.85 2kpj h SER 31 CO -0.02 1.04 0.13 0.40 -0.53 0.00 0.00 176.83 177.85 2kpj h ILE 32 N 0.97 1.22 0.00 2.23 2.04 -0.82 -3.47 117.51 119.67 2kpj h ILE 32 Ca 0.19 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.32 2kpj h ILE 32 Cb 0.48 0.91 0.00 0.00 -0.74 0.00 0.00 36.82 37.47 2kpj h ILE 32 CO 0.02 0.26 0.00 0.61 0.00 0.00 0.00 178.15 179.03 2kpj n GLY 33 N -0.65 1.75 3.61 5.37 0.00 0.59 -5.08 105.19 110.78 2kpj n GLY 33 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 1.27 0.26 1.61 -7.23 -0.31 -5.01 120.40 108.99 2kpj s VAL 34 Ca 0.00 -2.00 -0.18 0.00 -1.81 0.00 0.00 61.98 57.99 2kpj s VAL 34 Cb 0.00 -2.54 -0.09 0.00 0.56 0.00 0.00 36.38 34.31 2kpj s VAL 34 CO 0.00 0.00 0.73 -0.44 -0.31 0.00 0.00 175.10 175.08 2kpj s SER 35 N -3.70 6.96 0.36 4.85 0.01 -1.26 -4.04 113.70 116.87 2kpj s SER 35 Ca 0.23 1.38 0.09 0.00 1.31 0.00 0.00 55.95 58.95 2kpj s SER 35 Cb 0.05 -2.41 0.81 0.00 0.21 0.00 0.00 66.02 64.68 2kpj s SER 35 CO 0.12 -0.06 1.88 -0.65 0.41 0.00 0.00 173.24 174.94 2kpj h PRO 36 N 2.99 0.68 0.00 12.44 0.11 -1.91 -0.15 132.00 146.16 2kpj h PRO 36 Ca -0.48 -0.04 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 2kpj h PRO 36 Cb 1.19 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 2kpj h PRO 36 CO 0.65 0.45 -0.43 1.96 -0.21 0.00 0.00 178.00 180.43 2kpj h GLN 37 N 0.70 0.00 -0.24 1.05 1.08 -1.98 0.30 115.11 116.02 2kpj h GLN 37 Ca 0.43 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 57.44 2kpj h GLN 37 Cb 0.65 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 2kpj h GLN 37 CO -0.19 0.43 -0.59 1.15 -0.95 0.00 0.00 178.83 178.68 2kpj h THR 38 N 0.00 1.29 -0.41 -0.54 2.02 -1.44 -0.64 112.91 113.19 2kpj h THR 38 Ca -0.00 -1.80 -0.11 0.00 0.77 0.00 0.00 66.41 65.27 2kpj h THR 38 Cb 0.82 1.73 -0.02 0.00 -1.74 0.00 0.00 68.15 68.94 2kpj h THR 38 CO 0.06 0.58 -0.19 0.15 0.37 0.00 0.00 175.52 176.49 2kpj h PHE 39 N 0.58 0.88 -0.46 3.16 3.57 -1.03 -2.89 116.94 120.74 2kpj h PHE 39 Ca 0.00 -0.19 -0.03 0.00 3.53 0.00 0.00 57.97 61.29 2kpj h PHE 39 Cb 1.18 -0.21 -0.02 0.00 2.79 0.00 0.00 35.95 39.69 2kpj h PHE 39 CO 0.07 0.90 0.18 -0.97 -2.23 0.00 0.00 178.31 176.26 2kpj h ASN 40 N 0.69 0.65 -0.03 0.41 -1.24 -0.11 -0.72 115.58 115.23 2kpj h ASN 40 Ca 0.10 -0.17 -0.04 0.00 0.71 0.00 0.00 56.30 56.90 2kpj h ASN 40 Cb 0.69 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.56 2kpj h ASN 40 CO 0.05 0.65 -0.08 0.71 -1.29 0.00 0.00 177.43 177.46 2kpj h THR 41 N 0.61 1.16 -0.31 -3.57 1.35 -1.04 -0.29 112.91 110.82 2kpj h THR 41 Ca 0.15 -0.68 -0.14 0.00 -0.55 0.00 0.00 66.41 65.20 2kpj h THR 41 Cb 0.21 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.75 2kpj h THR 41 CO -0.01 0.22 -0.34 -0.50 -0.25 0.00 0.00 175.52 174.63 2kpj h TRP 42 N 0.25 0.94 0.00 4.73 6.55 -1.25 -0.83 115.95 126.34 2kpj h TRP 42 Ca 0.05 -0.29 0.00 0.00 0.95 0.00 0.00 58.89 59.60 2kpj h TRP 42 Cb 0.31 -0.20 0.00 0.00 -0.86 0.00 0.00 29.16 28.41 2kpj h TRP 42 CO 0.01 1.07 0.00 0.00 -1.05 0.00 0.00 178.44 178.47 2kpj n LYS 44 N -2.34 1.12 -1.64 0.00 5.02 -0.19 -4.90 118.16 115.23 2kpj n LYS 44 Ca 0.02 -0.81 -0.05 0.00 -2.02 0.00 0.00 58.31 55.45 2kpj n LYS 44 Cb 0.27 -1.48 -0.01 0.00 -0.02 0.00 0.00 35.03 33.78 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 1.37 0.46 0.14 0.72 0.00 -0.40 -4.94 105.19 102.55 2kpj n GLY 45 Ca 0.11 -0.74 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 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 1.27 -3.44 -0.61 2.04 -1.36 -3.45 117.51 111.96 2kpj h ILE 46 Ca -0.12 -2.72 -0.09 0.00 1.00 0.00 0.00 64.86 62.93 2kpj h ILE 46 Cb 0.73 3.01 -0.16 0.00 -0.74 0.00 0.00 36.82 39.66 2kpj h ILE 46 CO 0.16 0.82 -0.26 0.00 0.00 0.00 0.00 178.15 178.87 2kpj s ALA 47 N -2.60 -0.60 -0.15 1.87 0.00 -1.24 -5.05 121.76 113.99 2kpj s ALA 47 Ca -0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 51.96 51.71 2kpj s ALA 47 Cb 0.04 0.41 -0.01 0.00 0.00 0.00 0.00 23.12 23.57 2kpj s ALA 47 CO 0.93 -0.47 -0.14 0.42 0.00 0.00 0.00 175.76 176.51 2kpj s ILE 48 N -3.03 2.85 0.86 0.00 1.01 -1.26 -4.31 121.20 117.32 2kpj s ILE 48 Ca -0.02 -0.71 -0.12 0.00 0.00 0.00 0.00 60.65 59.81 2kpj s ILE 48 Cb 0.01 -2.21 0.11 0.00 0.01 0.00 0.00 42.46 40.38 2kpj s ILE 48 CO -0.06 0.51 1.11 -2.16 0.00 0.00 0.00 174.94 174.33 2kpj s PRO 49 N 0.70 1.56 0.91 2.79 0.04 -1.26 -5.06 135.00 134.68 2kpj s PRO 49 Ca -0.07 0.58 -0.14 0.00 0.04 0.00 0.00 61.00 61.41 2kpj s PRO 49 Cb -0.15 -1.86 0.16 0.00 0.04 0.00 0.00 34.50 32.68 2kpj s PRO 49 CO 0.02 -1.97 1.26 1.03 0.04 0.00 0.00 177.00 177.38 2kpj s ARG 50 N -5.13 1.11 0.42 4.56 0.52 -1.26 -4.68 118.95 114.49 2kpj s ARG 50 Ca 0.62 -0.20 0.16 0.00 -0.52 0.00 0.00 55.73 55.80 2kpj s ARG 50 Cb -0.15 -1.88 1.05 0.00 0.52 0.00 0.00 34.95 34.49 2kpj s ARG 50 CO 0.55 -2.13 1.89 1.98 0.02 0.00 0.00 175.30 177.61 2kpj h MET 51 N -1.44 0.41 -0.38 3.54 1.85 -1.97 0.43 114.93 117.38 2kpj h MET 51 Ca -0.45 -0.02 0.09 0.00 -0.61 0.00 0.00 59.70 58.70 2kpj h MET 51 Cb 1.27 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 33.19 2kpj h MET 51 CO 0.49 0.27 0.27 0.78 -0.40 0.00 0.00 176.91 178.32 2kpj h GLY 52 N 0.43 0.17 0.06 1.39 0.00 -2.00 0.70 103.07 103.81 2kpj h GLY 52 Ca 0.42 -0.05 -0.38 0.00 0.00 0.00 0.00 47.33 47.32 2kpj h GLY 52 CO -0.15 0.03 -2.40 0.28 0.00 0.00 0.00 176.54 174.31 2kpj n LYS 53 N -4.45 0.67 -0.26 4.80 4.01 -0.01 -4.03 118.16 118.89 2kpj n LYS 53 Ca 0.06 0.10 -0.06 0.00 -0.51 0.00 0.00 58.31 57.90 2kpj n LYS 53 Cb 0.37 -1.54 0.05 0.00 -0.51 0.00 0.00 35.03 33.40 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 1.22 -0.75 -0.18 2.07 -0.84 -1.31 116.25 116.46 2kpj h VAL 54 Ca -0.55 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 66.41 2kpj h VAL 54 Cb 2.05 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 2kpj h VAL 54 CO -0.03 0.25 0.50 -0.61 0.02 0.00 0.00 177.57 177.70 2kpj h GLN 55 N 0.99 0.99 -0.56 1.57 -0.00 -1.07 -2.07 115.11 114.96 2kpj h GLN 55 Ca 0.25 -0.06 -0.04 0.00 -0.00 0.00 0.00 58.65 58.80 2kpj h GLN 55 Cb 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 27.48 27.28 2kpj h GLN 55 CO -0.04 0.65 0.18 0.00 0.00 0.00 0.00 178.83 179.62 2kpj h ALA 56 N 1.28 1.26 0.12 3.38 0.00 -1.54 0.16 119.26 123.92 2kpj h ALA 56 Ca 0.28 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 2kpj h ALA 56 Cb -0.11 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.45 2kpj h ALA 56 CO -0.06 0.53 -0.06 -0.07 0.00 0.00 0.00 179.25 179.59 2kpj h LEU 57 N 0.81 -0.13 -1.27 0.00 3.38 -0.67 0.31 115.31 117.75 2kpj h LEU 57 Ca 0.19 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 2kpj h LEU 57 Cb 0.23 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2kpj h LEU 57 CO -0.01 -0.08 -0.15 0.00 0.09 0.00 0.00 178.44 178.30 2kpj h ALA 58 N 0.71 1.03 0.11 1.53 0.00 -1.01 -3.01 119.26 118.62 2kpj h ALA 58 Ca -0.02 -0.13 -0.27 0.00 0.00 0.00 0.00 54.91 54.49 2kpj h ALA 58 Cb 0.14 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 17.93 2kpj h ALA 58 CO 0.03 0.18 -1.13 0.22 0.00 0.00 0.00 179.25 178.55 2kpj h ASP 59 N 0.00 0.80 -0.92 0.00 1.82 -0.32 0.24 116.42 118.04 2kpj h ASP 59 Ca -0.00 -0.83 0.03 0.00 -0.39 0.00 0.00 57.03 55.83 2kpj h ASP 59 Cb 0.65 -0.25 -0.05 0.00 0.68 0.00 0.00 39.33 40.36 2kpj h ASP 59 CO 0.02 1.55 0.60 0.22 -1.61 0.00 0.00 179.24 180.02 2kpj h TYR 60 N 0.15 1.13 -0.00 0.28 3.20 -0.80 -1.07 116.97 119.86 2kpj h TYR 60 Ca -0.17 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.73 2kpj h TYR 60 Cb 1.82 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 39.71 2kpj h TYR 60 CO 0.13 0.68 -0.42 1.19 -1.64 0.00 0.00 178.16 178.10 2kpj n PHE 61 N -4.48 0.00 -3.26 -3.82 3.72 -1.20 -4.98 117.46 103.44 2kpj n PHE 61 Ca 0.11 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.42 2kpj n PHE 61 Cb 0.06 -0.19 0.01 0.00 -0.94 0.00 0.00 39.48 38.43 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 -1.15 -6.95 -0.94 4.37 5.15 -0.41 -5.05 115.26 110.30 2kpj n ASN 62 Ca 0.08 -0.39 0.00 0.00 -0.60 0.00 0.00 54.58 53.67 2kpj n ASN 62 Cb 0.34 -4.54 0.00 0.00 -0.53 0.00 0.00 39.78 35.05 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 -2.34 0.00 -3.17 -1.44 -5.35 0.76 -5.02 119.36 102.80 2kpj n ILE 63 Ca -0.07 0.00 -0.28 0.00 -0.27 0.00 0.00 62.75 62.13 2kpj n ILE 63 Cb 0.56 0.00 -0.02 0.00 -1.74 0.00 0.00 39.64 38.43 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 -0.61 6.41 0.24 7.28 0.01 -1.26 -4.66 114.94 122.34 2kpj s ASN 64 Ca 0.00 0.77 -0.01 0.00 -0.71 0.00 0.00 52.86 52.91 2kpj s ASN 64 Cb 0.00 -2.17 0.27 0.00 0.41 0.00 0.00 41.25 39.76 2kpj s ASN 64 CO 0.00 -0.29 1.65 0.11 -1.51 0.00 0.00 177.10 177.06 2kpj h LYS 65 N 1.29 0.62 0.00 -0.60 6.56 -1.93 -2.54 116.57 119.96 2kpj h LYS 65 Ca -0.48 -0.26 0.00 0.00 -1.06 0.00 0.00 60.65 58.85 2kpj h LYS 65 Cb 1.20 -0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.83 2kpj h LYS 65 CO 0.64 0.83 0.00 0.66 -2.06 0.00 0.00 179.45 179.53 2kpj h SER 66 N 0.54 0.00 0.25 0.86 4.64 -1.97 -2.48 113.55 115.38 2kpj h SER 66 Ca 0.07 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 2kpj h SER 66 Cb 0.75 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 2kpj h SER 66 CO 0.06 0.00 -0.27 0.44 -0.87 0.00 0.00 176.83 176.19 2kpj h ASP 67 N 0.00 0.05 0.64 4.97 3.32 -1.75 0.26 116.42 123.91 2kpj h ASP 67 Ca 0.00 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 2kpj h ASP 67 Cb 0.41 -0.01 -0.00 0.00 0.22 0.00 0.00 39.33 39.94 2kpj h ASP 67 CO 0.00 0.33 -1.38 0.18 -1.72 0.00 0.00 179.24 176.65 2kpj n LEU 68 N -4.19 0.57 -0.13 1.55 4.77 -0.95 -4.55 117.00 114.07 2kpj n LEU 68 Ca -0.02 0.22 -0.27 0.00 -0.03 0.00 0.00 56.01 55.92 2kpj n LEU 68 Cb 0.34 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.31 2kpj n LEU 68 CO 0.38 -0.09 -1.16 -0.38 -1.33 0.00 0.00 177.39 174.81 2kpj n ILE 69 N -2.57 1.53 -2.79 -0.08 5.41 -1.04 -4.20 119.36 115.62 2kpj n ILE 69 Ca -0.03 -0.26 -0.27 0.00 1.00 0.00 0.00 62.75 63.19 2kpj n ILE 69 Cb 0.59 -1.95 -0.00 0.00 -0.71 0.00 0.00 39.64 37.57 2kpj n ILE 69 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 176.55 174.94 2kpj s GLU 70 N -2.48 3.53 0.31 0.38 0.41 0.89 -4.27 118.70 117.48 2kpj s GLU 70 Ca -0.36 0.10 -0.29 0.00 -0.41 0.00 0.00 54.97 54.01 2kpj s GLU 70 Cb 0.12 -2.43 -0.13 0.00 -1.78 0.00 0.00 34.13 29.91 2kpj s GLU 70 CO 0.51 -0.13 1.22 -3.47 -0.49 0.00 0.00 175.26 172.90 2kpj n ASP 71 N -2.15 2.29 -0.08 -0.19 -0.08 -1.26 -4.78 116.55 110.30 2kpj n ASP 71 Ca -0.01 1.19 0.00 0.00 -1.51 0.00 0.00 54.79 54.46 2kpj n ASP 71 Cb 0.55 -1.41 0.00 0.00 2.34 0.00 0.00 41.12 42.60 2kpj n ASP 71 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2kpj n LYS 72 N 0.82 0.61 -0.18 -0.67 2.85 -1.26 -2.98 118.16 117.35 2kpj n LYS 72 Ca 0.07 0.00 0.02 0.00 -1.05 0.00 0.00 58.31 57.35 2kpj n LYS 72 Cb 0.34 -1.05 0.09 0.00 -0.65 0.00 0.00 35.03 33.76 2kpj n LYS 72 CO 0.00 0.00 0.00 0.36 -0.05 0.00 0.00 177.40 177.71 2kpj n LYS 73 N -0.38 1.80 -1.80 -1.58 2.85 -1.26 -4.79 118.16 112.99 2kpj n LYS 73 Ca 0.00 -0.70 -0.20 0.00 -1.05 0.00 0.00 58.31 56.36 2kpj n LYS 73 Cb 0.03 -1.57 -0.08 0.00 -0.65 0.00 0.00 35.03 32.76 2kpj n LYS 73 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2kpj s LEU 74 N -0.71 2.80 0.00 -5.58 1.43 -1.16 -4.91 118.68 110.55 2kpj s LEU 74 Ca 0.12 -0.86 -0.13 0.00 -1.03 0.00 0.00 54.13 52.23 2kpj s LEU 74 Cb 0.09 -2.58 0.20 0.00 0.03 0.00 0.00 46.19 43.93 2kpj s LEU 74 CO 0.04 -3.77 1.19 -0.46 0.23 0.00 0.00 176.35 173.59 2kpj n ASN 75 N 17.06 0.28 -4.63 2.29 0.23 -1.26 -5.03 115.26 124.21 2kpj n ASN 75 Ca 0.43 -1.55 -0.41 0.00 -0.53 0.00 0.00 54.58 52.53 2kpj n ASN 75 Cb 0.46 -0.89 -0.06 0.00 -2.08 0.00 0.00 39.78 37.21 2kpj n ASN 75 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 2kpj s ILE 76 N -3.57 4.95 -0.80 1.53 -1.09 -1.26 -5.00 121.20 115.97 2kpj s ILE 76 Ca 0.69 1.22 -0.02 0.00 -2.23 0.00 0.00 60.65 60.30 2kpj s ILE 76 Cb -0.02 -3.97 0.20 0.00 -1.58 0.00 0.00 42.46 37.09 2kpj s ILE 76 CO 0.48 0.01 0.66 -0.62 -1.23 0.00 0.00 174.94 174.23 2kpj s ASP 77 N 1.45 5.74 -0.29 3.58 2.15 -1.26 -4.99 116.67 123.05 2kpj s ASP 77 Ca 0.28 -3.40 -0.29 0.00 0.43 0.00 0.00 52.55 49.57 2kpj s ASP 77 Cb -0.15 -1.90 0.19 0.00 -0.30 0.00 0.00 42.92 40.76 2kpj s ASP 77 CO 0.08 -0.26 1.37 0.28 -0.17 0.00 0.00 175.17 176.47 2kpj s THR 78 N -0.87 0.00 -0.60 1.71 -1.32 -1.26 -5.09 115.64 108.21 2kpj s THR 78 Ca 0.23 0.00 0.02 0.00 -1.21 0.00 0.00 61.69 60.74 2kpj s THR 78 Cb -0.12 -1.00 0.15 0.00 -1.51 0.00 0.00 72.50 70.02 2kpj s THR 78 CO -0.09 0.00 0.37 -0.69 -2.21 0.00 0.00 174.62 172.00 2kpj s VAL 79 N -0.96 3.03 -0.47 5.08 1.01 -1.26 -5.06 120.40 121.76 2kpj s VAL 79 Ca 0.09 -3.41 -0.32 0.00 0.00 0.00 0.00 61.98 58.34 2kpj s VAL 79 Cb -0.01 -3.03 -0.11 0.00 0.00 0.00 0.00 36.38 33.23 2kpj s VAL 79 CO -0.08 -0.87 2.33 -0.81 0.00 0.00 0.00 175.10 175.67 2kpj n PRO 80 N 2.98 0.98 -1.99 2.72 -0.04 -1.26 -4.88 135.00 133.51 2kpj n PRO 80 Ca 0.09 0.19 -0.42 0.00 -0.04 0.00 0.00 63.50 63.32 2kpj n PRO 80 Cb 0.34 -2.63 -0.03 0.00 -0.04 0.00 0.00 33.50 31.14 2kpj n PRO 80 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2kpj s ILE 81 N 8.92 3.16 -0.47 0.52 1.09 -1.26 -4.89 121.20 128.27 2kpj s ILE 81 Ca 1.10 0.61 -0.27 0.00 -1.10 0.00 0.00 60.65 60.99 2kpj s ILE 81 Cb -0.70 -3.39 -0.03 0.00 -1.06 0.00 0.00 42.46 37.27 2kpj s ILE 81 CO 0.42 0.00 1.99 -1.61 -0.10 0.00 0.00 174.94 175.64 2kpj s GLU 82 N 2.52 2.75 0.73 2.79 2.02 -1.26 -4.95 118.70 123.31 2kpj s GLU 82 Ca 0.72 1.14 -0.07 0.00 0.02 0.00 0.00 54.97 56.77 2kpj s GLU 82 Cb -0.38 -4.38 0.09 0.00 0.10 0.00 0.00 34.13 29.56 2kpj s GLU 82 CO 0.31 -2.55 1.04 -1.12 0.02 0.00 0.00 175.26 172.96 2kpj s SER 83 N 8.45 4.56 -0.09 -0.19 0.01 -1.26 -5.00 113.70 120.18 2kpj s SER 83 Ca 0.80 0.32 -0.30 0.00 1.31 0.00 0.00 55.95 58.09 2kpj s SER 83 Cb -0.18 -0.87 -0.03 0.00 0.21 0.00 0.00 66.02 65.15 2kpj s SER 83 CO 0.27 -1.76 1.32 -0.83 0.41 0.00 0.00 173.24 172.64 2kpj s GLY 84 N -4.59 1.81 0.32 3.44 0.00 -1.26 -4.99 107.32 102.06 2kpj s GLY 84 Ca 0.63 0.65 -0.29 0.00 0.00 0.00 0.00 44.72 45.70 2kpj s GLY 84 CO 0.45 2.48 1.35 -0.47 0.00 0.00 0.00 173.10 176.91 2kpj s TYR 85 N 2.94 2.98 0.34 1.90 5.04 -1.26 -4.96 117.35 124.34 2kpj s TYR 85 Ca 0.59 1.32 -0.29 0.00 -2.44 0.00 0.00 57.07 56.25 2kpj s TYR 85 Cb -0.26 -3.75 -0.11 0.00 0.35 0.00 0.00 41.96 38.19 2kpj s TYR 85 CO 0.21 -2.13 1.52 0.95 -1.34 0.00 0.00 175.55 174.75 2kpj s THR 86 N -0.96 2.08 0.28 4.34 -4.23 -1.26 -4.92 115.64 110.98 2kpj s THR 86 Ca 0.51 0.08 -0.30 0.00 -1.18 0.00 0.00 61.69 60.80 2kpj s THR 86 Cb -0.41 -3.05 -0.11 0.00 1.34 0.00 0.00 72.50 70.27 2kpj s THR 86 CO 0.53 0.02 1.59 -0.76 -0.54 0.00 0.00 174.62 175.46 2kpj s LEU 87 N -1.50 4.35 0.33 4.79 1.43 -1.26 -4.94 118.68 121.87 2kpj s LEU 87 Ca 0.56 2.92 -0.28 0.00 -1.03 0.00 0.00 54.13 56.30 2kpj s LEU 87 Cb -0.47 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.03 2kpj s LEU 87 CO 0.57 -0.90 1.22 -1.83 0.23 0.00 0.00 176.35 175.65 2kpj s GLU 88 N -0.32 4.39 0.04 1.70 -1.05 -1.26 -4.94 118.70 117.26 2kpj s GLU 88 Ca 0.64 2.04 0.15 0.00 -0.15 0.00 0.00 54.97 57.64 2kpj s GLU 88 Cb -0.47 -3.05 -0.16 0.00 -0.44 0.00 0.00 34.13 30.01 2kpj s GLU 88 CO 0.46 -0.09 0.83 1.25 0.95 0.00 0.00 175.26 178.66 2kpj h HIS 89 N 3.40 0.00 -3.64 4.83 -0.00 -2.04 -3.42 115.15 114.27 2kpj h HIS 89 Ca -0.48 0.00 -0.69 0.00 -0.00 0.00 0.00 60.37 59.20 2kpj h HIS 89 Cb 1.22 0.00 -0.33 0.00 -0.00 0.00 0.00 27.41 28.30 2kpj h HIS 89 CO 0.57 0.75 -0.63 -1.01 -0.00 0.00 0.00 177.93 177.61 2kpj s HIS 90 N -2.79 3.41 0.26 5.26 3.76 -1.26 -4.96 115.29 118.97 2kpj s HIS 90 Ca -0.03 -2.08 0.10 0.00 -0.15 0.00 0.00 55.06 52.90 2kpj s HIS 90 Cb 0.08 -2.60 0.32 0.00 1.11 0.00 0.00 32.58 31.50 2kpj s HIS 90 CO 0.81 -0.87 1.59 1.25 -0.85 0.00 0.00 174.74 176.68 2kpj h HIS 91 N 8.03 0.00 -1.22 1.40 2.76 -2.02 -3.46 115.15 120.64 2kpj h HIS 91 Ca -0.17 -0.00 0.19 0.00 -2.20 0.00 0.00 60.37 58.18 2kpj h HIS 91 Cb 1.06 -0.00 -0.26 0.00 1.55 0.00 0.00 27.41 29.76 2kpj h HIS 91 CO 0.58 0.64 0.82 -1.58 -1.30 0.00 0.00 177.93 177.10 2kpj s HIS 92 N -3.56 -0.14 0.22 5.26 2.46 -1.26 -5.15 115.29 113.11 2kpj s HIS 92 Ca -0.01 0.25 0.00 0.00 0.47 0.00 0.00 55.06 55.77 2kpj s HIS 92 Cb 0.13 0.48 0.00 0.00 -0.13 0.00 0.00 32.58 33.06 2kpj s HIS 92 CO 0.77 -0.13 0.00 1.58 -2.47 0.00 0.00 174.74 174.48 2kpj n HIS 93 N 0.59 -2.29 -0.40 3.88 -0.00 -1.26 -5.22 115.22 110.52 2kpj n HIS 93 Ca -0.03 1.20 0.00 0.00 -0.00 0.00 0.00 57.72 58.89 2kpj n HIS 93 Cb 0.59 -2.45 0.00 0.00 -0.00 0.00 0.00 29.99 28.13 2kpj n HIS 93 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95