#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2knj n HIS 2 N 0.00 0.00 -3.36 4.41 -0.00 -1.26 -5.02 115.22 109.99 2knj n HIS 2 Ca 0.00 0.00 -0.26 0.00 0.46 0.00 0.00 57.72 57.92 2knj n HIS 2 Cb 0.00 0.00 -0.09 0.00 -0.12 0.00 0.00 29.99 29.78 2knj n HIS 2 CO 0.00 0.00 0.00 1.04 0.46 0.00 0.00 176.34 177.84 2knj n GLN 3 N 0.00 0.46 0.00 1.57 1.13 -1.26 -5.01 117.38 114.28 2knj n GLN 3 Ca 0.00 -3.29 0.00 0.00 -1.94 0.00 0.00 57.00 51.77 2knj n GLN 3 Cb 0.00 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 28.76 2knj n GLN 3 CO 0.00 0.00 0.00 0.39 -1.44 0.00 0.00 177.06 176.01 2knj n GLU 4 N 2.36 0.00 -3.57 -1.09 1.02 -1.26 -4.94 120.64 113.16 2knj n GLU 4 Ca 0.27 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 57.14 2knj n GLU 4 Cb 0.49 -0.02 0.05 0.00 -0.02 0.00 0.00 31.44 31.93 2knj n GLU 4 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2knj n LEU 5 N -1.35 -3.59 0.00 -4.62 4.77 -1.26 -2.28 117.00 108.66 2knj n LEU 5 Ca 0.00 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.04 2knj n LEU 5 Cb 0.00 -2.61 0.00 0.00 -2.33 0.00 0.00 43.42 38.48 2knj n LEU 5 CO 0.00 0.37 0.00 0.00 -1.33 0.00 0.00 177.39 176.43 2knj n THR 7 N -2.00 -4.03 -1.77 0.00 -1.04 -0.97 -4.75 114.28 99.72 2knj n THR 7 Ca 0.00 0.67 -0.16 0.00 -2.04 0.00 0.00 64.05 62.53 2knj n THR 7 Cb 0.00 -2.56 -0.04 0.00 -1.82 0.00 0.00 70.33 65.91 2knj n THR 7 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2knj n LYS 8 N 0.29 -1.14 0.00 -2.82 5.02 -1.26 -4.60 118.16 113.66 2knj n LYS 8 Ca 0.00 0.94 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 2knj n LYS 8 Cb 0.00 -5.17 0.00 0.00 -0.02 0.00 0.00 35.03 29.84 2knj n LYS 8 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2knj n GLY 9 N -1.05 0.94 0.26 0.72 0.00 -1.25 -2.05 105.19 102.76 2knj n GLY 9 Ca -0.17 -0.81 0.14 0.00 0.00 0.00 0.00 46.02 45.18 2knj n GLY 9 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2knj h ASP 10 N 0.79 0.00 -0.27 1.61 5.19 -1.89 -2.34 116.42 119.52 2knj h ASP 10 Ca 0.00 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.38 2knj h ASP 10 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2knj h ASP 10 CO 0.00 0.11 0.06 -0.78 -3.12 0.00 0.00 179.24 175.51 2knj h ASP 11 N 0.00 0.42 -0.66 6.45 3.58 -1.93 0.50 116.42 124.79 2knj h ASP 11 Ca -0.00 -0.24 -0.09 0.00 0.42 0.00 0.00 57.03 57.12 2knj h ASP 11 Cb 0.52 -0.11 -0.03 0.00 1.72 0.00 0.00 39.33 41.44 2knj h ASP 11 CO 0.01 0.55 0.07 0.00 -2.88 0.00 0.00 179.24 177.00 2knj h ALA 12 N 0.88 0.88 0.00 -0.78 0.00 -1.18 -1.59 119.26 117.47 2knj h ALA 12 Ca 0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2knj h ALA 12 Cb 0.30 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 2knj h ALA 12 CO 0.00 0.67 -0.02 1.25 0.00 0.00 0.00 179.25 181.16 2knj h LEU 13 N 1.03 0.00 -0.01 0.00 5.85 -0.90 0.23 115.31 121.50 2knj h LEU 13 Ca 0.20 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.78 2knj h LEU 13 Cb 0.49 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.53 2knj h LEU 13 CO 0.02 0.02 -0.50 0.58 -0.34 0.00 0.00 178.44 178.22 2knj h VAL 14 N 0.00 1.45 -0.15 1.05 2.07 0.95 0.64 116.25 122.26 2knj h VAL 14 Ca -0.00 -2.00 0.02 0.00 0.82 0.00 0.00 66.70 65.53 2knj h VAL 14 Cb 0.14 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 2knj h VAL 14 CO 0.00 0.58 0.03 0.74 0.02 0.00 0.00 177.57 178.94 2knj h THR 15 N -0.17 0.95 0.00 2.57 2.02 -0.70 -0.87 112.91 116.70 2knj h THR 15 Ca -0.06 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.09 2knj h THR 15 Cb 1.21 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.46 2knj h THR 15 CO 0.10 0.02 0.00 -0.33 0.37 0.00 0.00 175.52 175.68 2knj h GLU 16 N 0.10 0.00 -0.19 6.66 5.08 -0.59 -1.81 114.58 123.82 2knj h GLU 16 Ca 0.06 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 2knj h GLU 16 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 2knj h GLU 16 CO -0.08 0.00 -0.39 1.25 -1.00 0.00 0.00 179.01 178.79 2knj h LEU 17 N 0.00 0.68 -1.42 1.33 5.85 0.16 0.71 115.31 122.62 2knj h LEU 17 Ca 0.00 -0.55 -0.05 0.00 0.84 0.00 0.00 57.88 58.12 2knj h LEU 17 Cb 0.33 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 2knj h LEU 17 CO 0.00 1.10 -0.15 -0.08 -0.34 0.00 0.00 178.44 178.98 2knj h GLU 18 N 0.28 0.20 0.01 1.25 4.81 -0.45 0.61 114.58 121.28 2knj h GLU 18 Ca 0.01 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 58.99 2knj h GLU 18 Cb 0.99 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.32 2knj h GLU 18 CO 0.09 0.36 -0.96 0.00 -0.73 0.00 0.00 179.01 177.77 2knj n ILE 20 N -3.43 1.13 0.11 0.00 5.41 0.25 -1.69 119.36 121.13 2knj n ILE 20 Ca -0.01 0.28 0.01 0.00 1.00 0.00 0.00 62.75 64.03 2knj n ILE 20 Cb 0.90 -1.06 0.05 0.00 -0.71 0.00 0.00 39.64 38.81 2knj n ILE 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2knj n ARG 21 N -1.50 0.05 -2.56 0.38 5.12 -0.23 -4.71 116.66 113.22 2knj n ARG 21 Ca 0.03 0.00 -0.18 0.00 -1.93 0.00 0.00 57.85 55.77 2knj n ARG 21 Cb 0.15 -1.47 0.01 0.00 -1.16 0.00 0.00 32.46 29.99 2knj n ARG 21 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2knj n LEU 22 N -0.97 -2.09 -0.09 0.55 4.32 -0.68 -4.77 117.00 113.27 2knj n LEU 22 Ca 0.01 -0.11 0.01 0.00 -0.02 0.00 0.00 56.01 55.90 2knj n LEU 22 Cb 0.01 -2.59 0.02 0.00 -1.62 0.00 0.00 43.42 39.23 2knj n LEU 22 CO 0.01 -0.04 0.52 -2.11 -1.22 0.00 0.00 177.39 174.55 2knj n ARG 23 N -3.03 1.11 -0.65 3.23 1.85 -1.26 -4.83 116.66 113.09 2knj n ARG 23 Ca -0.17 -0.17 -0.30 0.00 -1.00 0.00 0.00 57.85 56.21 2knj n ARG 23 Cb 0.64 -1.04 0.27 0.00 -1.05 0.00 0.00 32.46 31.28 2knj n ARG 23 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2knj s ILE 24 N -1.93 1.41 -0.01 8.89 1.01 -1.26 -5.04 121.20 124.27 2knj s ILE 24 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 60.65 60.69 2knj s ILE 24 Cb 0.02 -2.23 -0.01 0.00 0.01 0.00 0.00 42.46 40.25 2knj s ILE 24 CO 0.02 0.00 -0.00 -0.24 0.00 0.00 0.00 174.94 174.72 2knj n SER 25 N -5.26 4.37 -3.42 3.58 2.88 -1.26 -4.93 113.62 109.59 2knj n SER 25 Ca 0.12 -0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2knj n SER 25 Cb 0.59 0.26 0.00 0.00 -0.75 0.00 0.00 64.21 64.31 2knj n SER 25 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 2knj n PRO 26 N -2.27 0.73 0.00 -1.46 -0.02 -1.26 -4.76 135.00 125.96 2knj n PRO 26 Ca -0.02 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.51 2knj n PRO 26 Cb 0.52 0.00 0.30 0.00 -0.02 0.00 0.00 33.50 34.30 2knj n PRO 26 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2knj n GLU 27 N -0.43 0.41 -0.20 -0.52 1.02 -1.26 -4.23 120.64 115.43 2knj n GLU 27 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2knj n GLU 27 Cb 0.00 -1.38 0.03 0.00 -0.02 0.00 0.00 31.44 30.07 2knj n GLU 27 CO 0.00 0.00 0.00 -2.37 1.18 0.00 0.00 177.13 175.94 2knj n THR 28 N -0.88 -0.27 0.02 2.62 5.66 -1.26 -0.09 114.28 120.08 2knj n THR 28 Ca 0.08 1.23 -0.13 0.00 -3.05 0.00 0.00 64.05 62.18 2knj n THR 28 Cb 0.03 -1.64 -0.09 0.00 -1.55 0.00 0.00 70.33 67.08 2knj n THR 28 CO 0.00 0.00 0.00 0.78 -3.05 0.00 0.00 175.07 172.80 2knj h ASN 29 N 0.00 -0.07 0.56 1.09 -0.26 -1.88 -1.14 115.58 113.88 2knj h ASN 29 Ca 0.20 -0.40 -0.03 0.00 -0.56 0.00 0.00 56.30 55.51 2knj h ASN 29 Cb 0.33 0.02 0.01 0.00 -1.06 0.00 0.00 38.32 37.61 2knj h ASN 29 CO -0.53 0.37 -0.27 0.00 -1.06 0.00 0.00 177.43 175.95 2knj h ALA 30 N 0.37 -0.75 0.68 -0.83 0.00 -1.59 -1.94 119.26 115.20 2knj h ALA 30 Ca -0.01 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2knj h ALA 30 Cb 0.46 0.29 0.01 0.00 0.00 0.00 0.00 17.79 18.55 2knj h ALA 30 CO 0.01 -0.87 -0.33 0.00 0.00 0.00 0.00 179.25 178.06 2knj h ALA 31 N -0.45 -1.20 -0.38 0.00 0.00 -0.54 -2.41 119.26 114.28 2knj h ALA 31 Ca -0.08 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 2knj h ALA 31 Cb 0.61 0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 2knj h ALA 31 CO 0.13 -1.13 0.12 0.74 0.00 0.00 0.00 179.25 179.11 2knj h PHE 32 N -0.95 0.54 -0.73 0.00 0.04 -1.33 -0.33 116.94 114.17 2knj h PHE 32 Ca -0.09 -0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.62 2knj h PHE 32 Cb 0.70 -0.17 -0.03 0.00 2.20 0.00 0.00 35.95 38.65 2knj h PHE 32 CO 0.07 0.45 0.35 0.22 -0.60 0.00 0.00 178.31 178.79 2knj h ASP 33 N 0.54 0.97 -0.62 2.17 3.58 -1.26 1.23 116.42 123.02 2knj h ASP 33 Ca 0.13 -0.14 -0.07 0.00 0.42 0.00 0.00 57.03 57.37 2knj h ASP 33 Cb 0.16 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.93 2knj h ASP 33 CO -0.01 0.83 0.10 -1.13 -2.88 0.00 0.00 179.24 176.15 2knj h ASN 34 N 1.03 0.98 0.29 2.28 -1.24 -1.00 0.18 115.58 118.10 2knj h ASN 34 Ca 0.25 -0.26 -0.01 0.00 0.71 0.00 0.00 56.30 56.99 2knj h ASN 34 Cb 0.13 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 38.92 2knj h ASN 34 CO -0.03 0.99 -0.14 0.00 -1.29 0.00 0.00 177.43 176.96 2knj h ALA 35 N 1.02 -0.39 0.00 1.57 0.00 0.36 -1.74 119.26 120.09 2knj h ALA 35 Ca 0.19 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2knj h ALA 35 Cb 0.43 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2knj h ALA 35 CO 0.01 -0.52 0.00 0.28 0.00 0.00 0.00 179.25 179.02 2knj n VAL 36 N -5.10 0.83 -0.07 0.00 0.31 0.41 -0.29 118.33 114.42 2knj n VAL 36 Ca -0.09 0.19 -0.15 0.00 -0.01 0.00 0.00 64.34 64.28 2knj n VAL 36 Cb 0.26 -1.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.15 2knj n VAL 36 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 2knj h GLN 37 N 0.00 0.86 0.24 5.55 4.15 -0.68 0.38 115.11 125.60 2knj h GLN 37 Ca 0.00 -0.56 -0.01 0.00 0.77 0.00 0.00 58.65 58.85 2knj h GLN 37 Cb 0.34 0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.10 2knj h GLN 37 CO 0.00 1.19 -0.22 1.96 -1.93 0.00 0.00 178.83 179.83 2knj h GLN 38 N 0.66 -0.44 0.00 1.69 4.20 0.27 -3.09 115.11 118.40 2knj h GLN 38 Ca 0.01 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2knj h GLN 38 Cb 1.18 0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.06 2knj h GLN 38 CO 0.13 -0.29 0.00 1.37 -0.67 0.00 0.00 178.83 179.36 2knj h LEU 39 N -0.45 0.00 -3.15 1.46 -0.00 -1.62 -3.48 115.31 108.07 2knj h LEU 39 Ca -0.03 0.00 -0.28 0.00 -0.00 0.00 0.00 57.88 57.57 2knj h LEU 39 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.05 2knj h LEU 39 CO -0.02 0.00 -0.68 -3.20 -0.00 0.00 0.00 178.44 174.54 2knj n ASN 40 N -2.85 -6.15 0.04 0.17 2.85 0.13 -4.90 115.26 104.56 2knj n ASN 40 Ca 0.03 -0.49 0.07 0.00 -0.11 0.00 0.00 54.58 54.09 2knj n ASN 40 Cb 0.42 -3.20 -0.08 0.00 1.24 0.00 0.00 39.78 38.17 2knj n ASN 40 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2knj n LEU 42 N -2.61 0.68 -3.76 0.00 4.77 -1.26 -4.96 117.00 109.86 2knj n LEU 42 Ca -0.06 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.79 2knj n LEU 42 Cb 0.66 -1.62 -0.13 0.00 -2.33 0.00 0.00 43.42 40.00 2knj n LEU 42 CO 0.43 -0.58 -0.18 0.21 -1.33 0.00 0.00 177.39 175.93 2knj s ASN 43 N -2.09 -0.18 0.00 -1.43 2.47 -1.26 -5.04 114.94 107.41 2knj s ASN 43 Ca 0.00 0.38 0.26 0.00 0.42 0.00 0.00 52.86 53.92 2knj s ASN 43 Cb 0.00 0.31 1.21 0.00 -1.45 0.00 0.00 41.25 41.31 2knj s ASN 43 CO 0.00 -0.12 1.86 0.54 -3.72 0.00 0.00 177.10 175.66 2knj n ARG 44 N 3.79 0.15 -0.02 0.43 3.00 -1.26 -3.24 116.66 119.51 2knj n ARG 44 Ca -0.21 0.05 -0.12 0.00 -0.01 0.00 0.00 57.85 57.55 2knj n ARG 44 Cb 0.54 -1.50 -0.07 0.00 0.00 0.00 0.00 32.46 31.44 2knj n ARG 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2knj h ALA 45 N 3.04 0.12 -0.01 7.54 0.00 -1.92 0.11 119.26 128.13 2knj h ALA 45 Ca 0.00 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 54.82 2knj h ALA 45 Cb 0.37 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2knj h ALA 45 CO 0.00 -0.26 -0.25 0.00 0.00 0.00 0.00 179.25 178.74 2knj h ALA 47 N 0.47 -0.53 -0.46 0.00 0.00 -1.59 -1.63 119.26 115.51 2knj h ALA 47 Ca 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2knj h ALA 47 Cb 0.46 0.84 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2knj h ALA 47 CO -0.23 -0.63 0.20 1.88 0.00 0.00 0.00 179.25 180.47 2knj h TYR 48 N -0.19 0.69 -1.00 0.00 0.05 -0.73 -2.23 116.97 113.56 2knj h TYR 48 Ca 0.02 -0.04 0.09 0.00 0.05 0.00 0.00 58.73 58.85 2knj h TYR 48 Cb 0.25 -0.21 -0.08 0.00 1.01 0.00 0.00 36.73 37.71 2knj h TYR 48 CO -0.61 0.57 0.64 -0.09 -1.05 0.00 0.00 178.16 177.63 2knj h ARG 49 N 0.60 1.05 0.00 4.88 2.43 -0.71 0.25 114.38 122.88 2knj h ARG 49 Ca 0.16 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 59.10 2knj h ARG 49 Cb 0.16 -0.24 -0.02 0.00 -0.42 0.00 0.00 29.97 29.46 2knj h ARG 49 CO -0.02 0.69 -0.76 -0.22 -1.51 0.00 0.00 179.97 178.16 2knj h LYS 50 N 1.08 0.00 0.10 0.20 3.64 -1.11 -0.75 116.57 119.73 2knj h LYS 50 Ca 0.47 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.84 2knj h LYS 50 Cb 0.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2knj h LYS 50 CO -0.22 0.76 -0.05 1.98 -2.27 0.00 0.00 179.45 179.65 2knj h MET 51 N 0.00 -0.14 0.00 1.90 4.05 -0.23 0.86 114.93 121.37 2knj h MET 51 Ca -0.01 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2knj h MET 51 Cb 1.49 0.03 0.00 0.00 -0.80 0.00 0.00 31.60 32.32 2knj h MET 51 CO 0.10 -0.00 0.00 0.00 0.23 0.00 0.00 176.91 177.24 2knj h ALA 53 N 2.24 0.02 0.00 0.00 0.00 -0.87 -3.39 119.26 117.27 2knj h ALA 53 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.24 2knj h ALA 53 Cb 0.41 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2knj h ALA 53 CO 0.00 0.22 0.00 -2.37 0.00 0.00 0.00 179.25 177.10 2knj n THR 54 N -4.43 0.00 0.00 0.00 5.66 0.23 -5.06 114.28 110.67 2knj n THR 54 Ca -0.14 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.86 2knj n THR 54 Cb 0.61 -0.06 0.00 0.00 -1.55 0.00 0.00 70.33 69.33 2knj n THR 54 CO 0.00 0.00 0.00 -0.46 -3.05 0.00 0.00 175.07 171.56 2knj n ASN 55 N -3.31 0.00 0.00 1.09 6.94 0.23 -4.75 115.26 115.47 2knj n ASN 55 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2knj n ASN 55 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 2knj n ASN 55 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2knj n ASN 56 N 0.00 0.00 0.17 0.53 5.15 -1.26 -4.20 115.26 115.66 2knj n ASN 56 Ca 0.00 0.00 0.05 0.00 -0.60 0.00 0.00 54.58 54.03 2knj n ASN 56 Cb 0.00 0.00 0.20 0.00 -0.53 0.00 0.00 39.78 39.45 2knj n ASN 56 CO 0.00 0.00 0.00 0.17 1.40 0.00 0.00 177.26 178.83 2knj h LEU 57 N 0.00 0.00 -2.02 1.20 -0.00 -1.86 -3.29 115.31 109.33 2knj h LEU 57 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2knj h LEU 57 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 2knj h LEU 57 CO 0.00 0.39 0.00 1.05 -0.00 0.00 0.00 178.44 179.88 2knj h GLU 58 N 0.00 0.00 0.10 0.17 -0.00 -1.92 -3.11 114.58 109.82 2knj h GLU 58 Ca -0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.35 2knj h GLU 58 Cb 1.12 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.86 2knj h GLU 58 CO 0.05 0.00 -0.11 1.96 -0.00 0.00 0.00 179.01 180.91 2knj h GLN 59 N 0.00 -0.20 0.23 1.06 4.20 -1.94 -1.58 115.11 116.88 2knj h GLN 59 Ca 0.00 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2knj h GLN 59 Cb 0.02 0.05 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2knj h GLN 59 CO 0.00 -0.13 -0.11 0.00 -0.67 0.00 0.00 178.83 177.92 2knj h ALA 60 N -1.53 -0.30 -0.85 3.87 0.00 -1.85 -2.23 119.26 116.37 2knj h ALA 60 Ca -0.01 -0.14 0.20 0.00 0.00 0.00 0.00 54.91 54.96 2knj h ALA 60 Cb 0.19 0.12 -0.15 0.00 0.00 0.00 0.00 17.79 17.94 2knj h ALA 60 CO -0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 179.25 178.89 2knj h MET 61 N -1.03 0.06 0.00 0.00 -0.00 -1.63 0.23 114.93 112.56 2knj h MET 61 Ca -0.03 -0.00 -0.08 0.00 -0.00 0.00 0.00 59.70 59.59 2knj h MET 61 Cb 0.37 -0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 31.95 2knj h MET 61 CO 0.05 0.04 -0.38 0.77 -0.00 0.00 0.00 176.91 177.39 2knj h SER 62 N 0.06 0.00 -0.55 -0.10 0.02 -1.31 0.44 113.55 112.11 2knj h SER 62 Ca 0.47 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 61.31 2knj h SER 62 Cb 0.86 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.38 2knj h SER 62 CO -0.78 0.38 -0.09 0.58 -1.14 0.00 0.00 176.83 175.77 2knj h VAL 63 N 0.00 1.27 0.07 2.27 2.07 -0.26 -3.38 116.25 118.29 2knj h VAL 63 Ca -0.00 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.26 2knj h VAL 63 Cb 0.90 0.95 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2knj h VAL 63 CO 0.05 0.44 -0.03 1.88 0.02 0.00 0.00 177.57 179.93 2knj h TYR 64 N 0.91 -0.09 -2.96 1.57 -1.99 0.10 -3.47 116.97 111.04 2knj h TYR 64 Ca 0.14 -0.00 -0.23 0.00 2.00 0.00 0.00 58.73 60.64 2knj h TYR 64 Cb 0.66 0.03 0.09 0.00 2.00 0.00 0.00 36.73 39.52 2knj h TYR 64 CO 0.05 -0.06 0.22 1.97 -0.00 0.00 0.00 178.16 180.34 2knj n PHE 65 N -2.63 -3.98 -3.54 4.88 1.16 0.07 -5.09 117.46 108.33 2knj n PHE 65 Ca -0.01 -0.62 -0.24 0.00 -1.87 0.00 0.00 57.45 54.71 2knj n PHE 65 Cb 0.04 -0.55 0.03 0.00 -1.61 0.00 0.00 39.48 37.39 2knj n PHE 65 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 2knj s THR 66 N -2.53 1.75 0.03 1.97 -4.23 -1.26 -4.79 115.64 106.58 2knj s THR 66 Ca 0.40 -1.29 -0.26 0.00 -1.18 0.00 0.00 61.69 59.36 2knj s THR 66 Cb -0.01 -2.04 -0.17 0.00 1.34 0.00 0.00 72.50 71.62 2knj s THR 66 CO 0.28 0.00 1.39 -1.13 -0.54 0.00 0.00 174.62 174.62 2knj h ASN 67 N 0.46 -0.35 0.18 3.99 -1.24 -1.99 -2.31 115.58 114.33 2knj h ASN 67 Ca -0.33 -0.13 -0.03 0.00 0.71 0.00 0.00 56.30 56.51 2knj h ASN 67 Cb 1.30 0.09 -0.00 0.00 0.73 0.00 0.00 38.32 40.44 2knj h ASN 67 CO 0.50 -0.06 -0.17 1.05 -1.29 0.00 0.00 177.43 177.46 2knj h GLU 68 N -0.65 0.00 -0.36 6.67 4.11 -1.99 -2.03 114.58 120.33 2knj h GLU 68 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 2knj h GLU 68 Cb 0.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2knj h GLU 68 CO 0.07 0.17 0.23 0.37 0.07 0.00 0.00 179.01 179.92 2knj h GLN 69 N 0.00 0.48 0.00 1.06 -0.00 -1.88 -1.44 115.11 113.33 2knj h GLN 69 Ca -0.00 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.58 2knj h GLN 69 Cb 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 27.48 27.67 2knj h GLN 69 CO 0.02 0.33 -0.48 0.97 0.00 0.00 0.00 178.83 179.67 2knj h ILE 70 N 0.48 0.22 -0.84 2.39 6.09 -0.97 -1.11 117.51 123.78 2knj h ILE 70 Ca 0.13 -1.34 0.01 0.00 -1.37 0.00 0.00 64.86 62.28 2knj h ILE 70 Cb -0.04 1.97 -0.04 0.00 0.47 0.00 0.00 36.82 39.18 2knj h ILE 70 CO -0.03 0.13 0.55 0.11 -3.07 0.00 0.00 178.15 175.84 2knj h LYS 71 N 0.00 1.11 0.32 2.19 1.57 -1.23 0.48 116.57 121.01 2knj h LYS 71 Ca -0.02 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 2knj h LYS 71 Cb 1.13 -0.25 -0.00 0.00 0.08 0.00 0.00 32.23 33.20 2knj h LYS 71 CO 0.02 0.75 -0.18 1.49 -0.57 0.00 0.00 179.45 180.96 2knj h GLU 72 N 1.14 -0.45 0.00 3.15 4.81 -0.83 -1.89 114.58 120.52 2knj h GLU 72 Ca 0.31 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 2knj h GLU 72 Cb -0.12 0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.37 2knj h GLU 72 CO -0.06 -0.30 0.00 -0.89 -0.73 0.00 0.00 179.01 177.02 2knj n ILE 73 N -5.30 0.83 0.40 2.32 5.41 -0.46 0.14 119.36 122.70 2knj n ILE 73 Ca -0.10 0.19 -0.16 0.00 1.00 0.00 0.00 62.75 63.69 2knj n ILE 73 Cb 0.21 -0.97 -0.07 0.00 -0.71 0.00 0.00 39.64 38.10 2knj n ILE 73 CO 0.00 0.00 0.00 -0.74 0.00 0.00 0.00 176.55 175.81 2knj h HIS 74 N 0.00 -0.95 0.00 1.39 2.76 0.77 0.32 115.15 119.44 2knj h HIS 74 Ca 0.00 -0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.08 2knj h HIS 74 Cb 0.33 0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.59 2knj h HIS 74 CO 0.00 -0.59 -0.32 -0.44 -1.30 0.00 0.00 177.93 175.28 2knj h ASP 75 N -1.18 0.00 -0.45 3.26 5.19 -1.15 -0.99 116.42 121.11 2knj h ASP 75 Ca -0.10 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.21 2knj h ASP 75 Cb 0.79 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.28 2knj h ASP 75 CO 0.17 0.32 -0.10 0.00 -3.12 0.00 0.00 179.24 176.51 2knj h ALA 76 N 1.68 0.62 0.00 3.45 0.00 -0.14 -1.44 119.26 123.43 2knj h ALA 76 Ca -0.00 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2knj h ALA 76 Cb 1.07 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2knj h ALA 76 CO 0.04 0.51 -0.86 0.00 0.00 0.00 0.00 179.25 178.94 2knj n ALA 77 N -2.47 3.03 -0.04 0.00 0.00 0.11 -0.18 120.51 120.96 2knj n ALA 77 Ca -0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 53.44 53.02 2knj n ALA 77 Cb 0.37 -1.08 -0.10 0.00 0.00 0.00 0.00 19.45 18.65 2knj n ALA 77 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2knj h THR 78 N 0.00 1.32 -0.02 0.00 2.02 -1.18 -3.37 112.91 111.68 2knj h THR 78 Ca 0.00 -1.84 0.00 0.00 0.77 0.00 0.00 66.41 65.34 2knj h THR 78 Cb 0.78 2.42 0.00 0.00 -1.74 0.00 0.00 68.15 69.62 2knj h THR 78 CO 0.00 0.42 -0.26 0.00 0.37 0.00 0.00 175.52 176.05 2knj n ALA 79 N -2.61 3.08 -3.58 6.16 0.00 -0.54 -4.34 120.51 118.67 2knj n ALA 79 Ca -0.08 -0.61 -0.21 0.00 0.00 0.00 0.00 53.44 52.55 2knj n ALA 79 Cb 0.35 -0.88 0.05 0.00 0.00 0.00 0.00 19.45 18.96 2knj n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2knj s ASP 81 N -4.09 1.20 0.39 0.00 -1.08 0.48 -4.96 116.67 108.62 2knj s ASP 81 Ca 0.14 -2.87 0.28 0.00 -0.52 0.00 0.00 52.55 49.57 2knj s ASP 81 Cb -0.03 -0.19 1.36 0.00 -1.46 0.00 0.00 42.92 42.59 2knj s ASP 81 CO 0.79 -0.17 1.84 -0.65 0.52 0.00 0.00 175.17 177.51 2knj h PRO 82 N 5.67 0.00 0.00 4.34 0.11 -1.83 -1.94 132.00 138.35 2knj h PRO 82 Ca 0.24 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 66.21 2knj h PRO 82 Cb 0.93 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.02 2knj h PRO 82 CO 0.33 0.00 -0.83 0.93 -0.21 0.00 0.00 178.00 178.21 2knj h GLU 83 N 0.00 0.00 0.00 1.05 4.39 -1.93 -3.47 114.58 114.63 2knj h GLU 83 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2knj h GLU 83 Cb 0.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.83 2knj h GLU 83 CO 0.00 0.79 0.00 0.00 -1.16 0.00 0.00 179.01 178.64 2knj n ALA 84 N -3.26 0.00 0.00 3.43 0.00 -0.75 -4.11 120.51 115.83 2knj n ALA 84 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 2knj n ALA 84 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2knj n ALA 84 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2knj n HIS 85 N 0.00 0.00 -3.63 0.00 -0.00 -1.26 -5.05 115.22 105.28 2knj n HIS 85 Ca 0.00 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.17 2knj n HIS 85 Cb 0.00 0.00 -0.04 0.00 -0.12 0.00 0.00 29.99 29.83 2knj n HIS 85 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2knj s HIS 86 N 0.00 -1.26 0.00 1.57 3.76 -1.26 -5.13 115.29 112.96 2knj s HIS 86 Ca 0.00 2.21 0.00 0.00 -0.15 0.00 0.00 55.06 57.12 2knj s HIS 86 Cb 0.00 0.76 0.00 0.00 1.11 0.00 0.00 32.58 34.45 2knj s HIS 86 CO 0.00 -0.63 0.03 -0.85 -0.85 0.00 0.00 174.74 172.45 2knj n GLU 87 N 5.31 0.00 -3.04 1.40 -0.00 -1.26 -5.00 120.64 118.05 2knj n GLU 87 Ca -0.12 0.00 -0.15 0.00 -0.00 0.00 0.00 57.16 56.89 2knj n GLU 87 Cb 0.50 -0.31 0.02 0.00 -0.00 0.00 0.00 31.44 31.65 2knj n GLU 87 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2knj n HIS 88 N -0.07 -3.04 -1.54 -1.84 -0.00 -1.26 -4.72 115.22 102.75 2knj n HIS 88 Ca 0.00 1.26 -0.59 0.00 0.46 0.00 0.00 57.72 58.85 2knj n HIS 88 Cb 0.00 -3.16 -0.08 0.00 -0.12 0.00 0.00 29.99 26.63 2knj n HIS 88 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2knj n ASP 89 N 0.04 0.35 0.00 0.26 2.03 -1.26 -5.12 116.55 112.86 2knj n ASP 89 Ca 0.03 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.50 2knj n ASP 89 Cb 0.45 -0.95 0.00 0.00 -0.72 0.00 0.00 41.12 39.90 2knj n ASP 89 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28