#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 -0.42 -1.40 -0.00 -1.26 -4.77 115.22 107.37 2knj n HIS 2 Ca 0.00 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.20 2knj n HIS 2 Cb 0.00 0.00 0.03 0.00 -0.12 0.00 0.00 29.99 29.90 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 -2.00 2.20 0.00 1.57 6.02 -1.26 -4.47 117.38 119.44 2knj n GLN 3 Ca 0.00 -1.64 0.12 0.00 -0.01 0.00 0.00 57.00 55.48 2knj n GLN 3 Cb 0.00 -1.05 0.26 0.00 1.02 0.00 0.00 30.24 30.47 2knj n GLN 3 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2knj n GLU 4 N -0.65 0.68 0.10 -1.09 4.71 -1.26 -3.78 120.64 119.36 2knj n GLU 4 Ca 0.04 -0.45 -0.04 0.00 -0.01 0.00 0.00 57.16 56.70 2knj n GLU 4 Cb 0.38 -1.49 0.13 0.00 -1.01 0.00 0.00 31.44 29.45 2knj n GLU 4 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 2knj h LEU 5 N 1.09 0.17 -4.40 -4.62 7.12 -1.97 -3.31 115.31 109.39 2knj h LEU 5 Ca 0.00 -0.10 -0.66 0.00 0.13 0.00 0.00 57.88 57.25 2knj h LEU 5 Cb 0.54 -0.05 -0.35 0.00 -0.53 0.00 0.00 40.66 40.28 2knj h LEU 5 CO 0.00 0.75 0.19 0.00 -0.13 0.00 0.00 178.44 179.24 2knj n THR 7 N -0.65 0.42 1.06 0.00 -1.04 -1.25 -4.66 114.28 108.18 2knj n THR 7 Ca 0.50 -0.13 0.03 0.00 -2.04 0.00 0.00 64.05 62.41 2knj n THR 7 Cb 0.59 -1.27 0.09 0.00 -1.82 0.00 0.00 70.33 67.92 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 -3.10 1.66 0.00 -2.82 5.02 -1.26 -4.97 118.16 112.69 2knj n LYS 8 Ca -0.14 -0.75 0.00 0.00 -2.02 0.00 0.00 58.31 55.39 2knj n LYS 8 Cb 0.62 -1.35 0.00 0.00 -0.02 0.00 0.00 35.03 34.28 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 0.58 3.25 0.29 0.72 0.00 -1.26 -1.53 105.19 107.25 2knj n GLY 9 Ca 0.07 0.02 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 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 0.00 0.73 -0.47 1.61 5.19 -1.99 -1.84 116.42 119.65 2knj h ASP 10 Ca 0.00 -0.15 0.00 0.00 -0.62 0.00 0.00 57.03 56.27 2knj h ASP 10 Cb 0.00 -0.19 -0.02 0.00 0.18 0.00 0.00 39.33 39.30 2knj h ASP 10 CO 0.00 0.76 0.31 0.44 -3.12 0.00 0.00 179.24 177.62 2knj h ASP 11 N 0.74 0.55 -0.05 6.45 3.32 -1.70 -1.41 116.42 124.31 2knj h ASP 11 Ca 0.16 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.18 2knj h ASP 11 Cb 0.36 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 2knj h ASP 11 CO 0.01 0.40 0.03 0.00 -1.72 0.00 0.00 179.24 177.96 2knj h ALA 12 N 1.17 0.07 0.00 3.45 0.00 -1.00 -2.01 119.26 120.93 2knj h ALA 12 Ca 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2knj h ALA 12 Cb -0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2knj h ALA 12 CO -0.04 -0.38 -0.13 1.37 0.00 0.00 0.00 179.25 180.08 2knj h LEU 13 N -0.02 0.00 0.21 0.00 8.10 -0.90 0.41 115.31 123.10 2knj h LEU 13 Ca 0.02 0.00 -0.32 0.00 0.11 0.00 0.00 57.88 57.69 2knj h LEU 13 Cb 0.11 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.35 2knj h LEU 13 CO -0.00 0.13 -1.51 0.58 -4.11 0.00 0.00 178.44 173.52 2knj h VAL 14 N 0.00 1.14 0.01 0.15 2.07 -1.19 0.62 116.25 119.06 2knj h VAL 14 Ca -0.00 -2.58 -0.00 0.00 0.82 0.00 0.00 66.70 64.94 2knj h VAL 14 Cb 0.33 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 33.03 2knj h VAL 14 CO 0.02 0.81 -0.00 0.74 0.02 0.00 0.00 177.57 179.15 2knj h THR 15 N 0.03 1.10 -0.35 2.57 2.02 -0.57 -0.03 112.91 117.68 2knj h THR 15 Ca -0.29 -0.31 -0.05 0.00 0.77 0.00 0.00 66.41 66.54 2knj h THR 15 Cb 2.05 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 69.75 2knj h THR 15 CO 0.20 0.08 0.02 1.05 0.37 0.00 0.00 175.52 177.25 2knj h GLU 16 N -0.14 0.54 -0.04 6.66 4.11 -0.34 -2.35 114.58 123.03 2knj h GLU 16 Ca -0.00 -0.11 0.03 0.00 0.07 0.00 0.00 59.36 59.35 2knj h GLU 16 Cb 0.14 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 2knj h GLU 16 CO 0.00 0.55 -0.22 -0.07 0.07 0.00 0.00 179.01 179.34 2knj h LEU 17 N 0.52 -0.66 -1.79 3.06 3.38 -0.29 1.38 115.31 120.92 2knj h LEU 17 Ca 0.12 0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.21 2knj h LEU 17 Cb 0.30 0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2knj h LEU 17 CO 0.01 -0.28 0.19 -0.08 0.09 0.00 0.00 178.44 178.37 2knj h GLU 18 N -0.33 0.27 0.00 1.13 4.81 -0.64 0.30 114.58 120.12 2knj h GLU 18 Ca 0.07 -0.02 -0.18 0.00 -0.13 0.00 0.00 59.36 59.11 2knj h GLU 18 Cb 0.43 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.72 2knj h GLU 18 CO -0.23 0.18 -0.86 0.00 -0.73 0.00 0.00 179.01 177.37 2knj n ILE 20 N -3.28 0.15 0.00 0.00 5.41 0.46 -3.75 119.36 118.36 2knj n ILE 20 Ca -0.00 0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.79 2knj n ILE 20 Cb 0.87 -0.63 0.00 0.00 -0.71 0.00 0.00 39.64 39.17 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 -1.21 0.00 -1.16 0.38 1.74 -0.37 -4.72 116.66 111.32 2knj n ARG 21 Ca 0.14 0.02 -0.06 0.00 -0.77 0.00 0.00 57.85 57.18 2knj n ARG 21 Cb 0.17 -1.51 -0.02 0.00 -1.02 0.00 0.00 32.46 30.08 2knj n ARG 21 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2knj n LEU 22 N -0.86 -0.39 -0.38 0.55 7.94 -1.25 -4.79 117.00 117.82 2knj n LEU 22 Ca 0.00 0.14 0.01 0.00 -1.11 0.00 0.00 56.01 55.05 2knj n LEU 22 Cb 0.01 -1.19 0.04 0.00 0.53 0.00 0.00 43.42 42.81 2knj n LEU 22 CO 0.00 -0.32 0.43 0.54 -1.11 0.00 0.00 177.39 176.93 2knj n ARG 23 N -2.74 1.29 0.00 1.96 5.12 -1.26 -4.57 116.66 116.47 2knj n ARG 23 Ca -0.06 -0.31 0.00 0.00 -1.93 0.00 0.00 57.85 55.55 2knj n ARG 23 Cb 0.20 -1.30 0.00 0.00 -1.16 0.00 0.00 32.46 30.19 2knj n ARG 23 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 2knj n ILE 24 N -0.11 0.00 0.00 0.55 2.08 -1.26 -4.92 119.36 115.70 2knj n ILE 24 Ca 0.03 0.59 0.00 0.00 0.56 0.00 0.00 62.75 63.93 2knj n ILE 24 Cb 0.20 -1.08 0.00 0.00 -0.75 0.00 0.00 39.64 38.01 2knj n ILE 24 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 2knj n SER 25 N -0.20 0.00 -3.26 4.38 2.88 -1.26 -4.55 113.62 111.60 2knj n SER 25 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2knj n SER 25 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 0.18 0.00 -1.46 -0.02 -1.26 -4.80 135.00 127.64 2knj n PRO 26 Ca 0.00 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.58 2knj n PRO 26 Cb 0.00 0.00 0.57 0.00 -0.02 0.00 0.00 33.50 34.05 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 -0.78 0.59 -0.21 -0.52 -0.58 -1.26 -3.98 120.64 113.89 2knj n GLU 27 Ca 0.00 0.01 0.13 0.00 -0.42 0.00 0.00 57.16 56.87 2knj n GLU 27 Cb 0.00 -1.50 0.24 0.00 -0.57 0.00 0.00 31.44 29.61 2knj n GLU 27 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 2knj n THR 28 N -1.01 -0.27 0.37 2.62 5.66 -1.26 -0.26 114.28 120.12 2knj n THR 28 Ca 0.14 1.36 -0.15 0.00 -3.05 0.00 0.00 64.05 62.35 2knj n THR 28 Cb 0.07 -2.05 -0.07 0.00 -1.55 0.00 0.00 70.33 66.72 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 -0.81 0.06 1.09 -0.26 -1.90 -1.34 115.58 112.41 2knj h ASN 29 Ca 0.43 0.02 -0.00 0.00 -0.56 0.00 0.00 56.30 56.18 2knj h ASN 29 Cb 0.97 0.21 0.00 0.00 -1.06 0.00 0.00 38.32 38.44 2knj h ASN 29 CO -0.57 -0.44 -0.03 0.00 -1.06 0.00 0.00 177.43 175.33 2knj h ALA 30 N -1.18 -0.08 0.47 -0.83 0.00 -1.60 -1.24 119.26 114.80 2knj h ALA 30 Ca -0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 2knj h ALA 30 Cb 0.75 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2knj h ALA 30 CO 0.16 -0.51 -0.22 0.00 0.00 0.00 0.00 179.25 178.68 2knj h ALA 31 N 0.78 -1.09 0.00 0.00 0.00 -0.69 -2.39 119.26 115.87 2knj h ALA 31 Ca -0.01 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 2knj h ALA 31 Cb 0.13 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 2knj h ALA 31 CO 0.01 -1.05 -0.02 0.74 0.00 0.00 0.00 179.25 178.94 2knj h PHE 32 N -0.66 0.00 0.79 0.00 0.04 -1.35 0.75 116.94 116.51 2knj h PHE 32 Ca -0.06 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.67 2knj h PHE 32 Cb 0.48 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.64 2knj h PHE 32 CO 0.11 0.02 -0.39 0.22 -0.60 0.00 0.00 178.31 177.67 2knj h ASP 33 N 0.00 -0.92 -0.64 2.17 1.82 -1.02 0.49 116.42 118.32 2knj h ASP 33 Ca -0.00 0.03 -0.08 0.00 -0.39 0.00 0.00 57.03 56.59 2knj h ASP 33 Cb 0.16 0.24 -0.03 0.00 0.68 0.00 0.00 39.33 40.38 2knj h ASP 33 CO 0.00 -0.65 0.09 -1.13 -1.61 0.00 0.00 179.24 175.94 2knj h ASN 34 N -1.07 1.04 0.60 2.28 -1.24 -0.82 -1.41 115.58 114.95 2knj h ASN 34 Ca -0.11 -0.25 -0.03 0.00 0.71 0.00 0.00 56.30 56.62 2knj h ASN 34 Cb 0.82 -0.28 0.01 0.00 0.73 0.00 0.00 38.32 39.60 2knj h ASN 34 CO 0.17 1.04 -0.29 0.00 -1.29 0.00 0.00 177.43 177.06 2knj h ALA 35 N 1.08 -1.00 0.00 1.57 0.00 0.65 -1.98 119.26 119.59 2knj h ALA 35 Ca 0.20 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2knj h ALA 35 Cb 0.45 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2knj h ALA 35 CO 0.02 -0.94 0.00 0.28 0.00 0.00 0.00 179.25 178.61 2knj h VAL 36 N -0.97 0.00 -0.56 0.00 2.07 -0.12 0.16 116.25 116.83 2knj h VAL 36 Ca -0.08 -0.25 -0.01 0.00 0.82 0.00 0.00 66.70 67.17 2knj h VAL 36 Cb 0.62 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 2knj h VAL 36 CO 0.14 0.00 0.30 -0.61 0.02 0.00 0.00 177.57 177.41 2knj h GLN 37 N 0.00 0.79 0.77 1.57 4.15 -1.05 0.45 115.11 121.79 2knj h GLN 37 Ca 0.00 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.28 2knj h GLN 37 Cb 0.35 -0.15 0.01 0.00 0.21 0.00 0.00 27.48 27.89 2knj h GLN 37 CO 0.00 0.62 -0.37 1.96 -1.93 0.00 0.00 178.83 179.11 2knj h GLN 38 N 0.76 -1.00 0.00 1.69 4.20 0.09 -3.08 115.11 117.77 2knj h GLN 38 Ca 0.20 0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.97 2knj h GLN 38 Cb 0.07 0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.07 2knj h GLN 38 CO -0.03 -0.66 -0.02 1.37 -0.67 0.00 0.00 178.83 178.82 2knj h LEU 39 N -1.19 0.00 -1.18 1.46 -0.00 -1.51 -3.45 115.31 109.44 2knj h LEU 39 Ca -0.11 0.00 -0.57 0.00 -0.00 0.00 0.00 57.88 57.21 2knj h LEU 39 Cb 0.79 0.00 -0.24 0.00 -0.00 0.00 0.00 40.66 41.21 2knj h LEU 39 CO 0.17 0.02 -0.86 -0.46 -0.00 0.00 0.00 178.44 177.32 2knj n ASN 40 N -3.18 -2.77 -0.07 0.17 6.94 0.16 -4.79 115.26 111.71 2knj n ASN 40 Ca -0.01 -1.07 0.00 0.00 -0.02 0.00 0.00 54.58 53.48 2knj n ASN 40 Cb 0.19 -2.49 0.00 0.00 -2.36 0.00 0.00 39.78 35.12 2knj n ASN 40 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2knj n LEU 42 N -0.40 0.00 -3.57 0.00 7.99 -1.26 -4.54 117.00 115.21 2knj n LEU 42 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 56.01 55.93 2knj n LEU 42 Cb 0.02 -0.09 -0.03 0.00 -0.11 0.00 0.00 43.42 43.20 2knj n LEU 42 CO 0.00 0.00 0.88 0.54 -1.51 0.00 0.00 177.39 177.30 2knj s ASN 43 N -1.51 -0.24 0.43 -1.43 6.03 -1.26 -5.03 114.94 111.93 2knj s ASN 43 Ca 0.00 0.11 0.30 0.00 -1.03 0.00 0.00 52.86 52.24 2knj s ASN 43 Cb 0.00 0.23 1.41 0.00 -3.03 0.00 0.00 41.25 39.86 2knj s ASN 43 CO 0.00 -0.34 1.91 0.03 -2.03 0.00 0.00 177.10 176.67 2knj h ARG 44 N 2.15 0.00 0.59 3.55 3.08 -1.92 -2.96 114.38 118.86 2knj h ARG 44 Ca -0.15 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.87 2knj h ARG 44 Cb 1.19 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.24 2knj h ARG 44 CO 0.27 0.00 -0.28 0.00 -1.07 0.00 0.00 179.97 178.89 2knj h ALA 45 N 2.08 -0.79 -0.46 0.04 0.00 -1.90 0.35 119.26 118.59 2knj h ALA 45 Ca 0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 2knj h ALA 45 Cb 0.26 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2knj h ALA 45 CO 0.00 -0.94 0.25 0.00 0.00 0.00 0.00 179.25 178.56 2knj h ALA 47 N 1.65 -1.23 -0.39 0.00 0.00 -1.27 -0.70 119.26 117.32 2knj h ALA 47 Ca 0.16 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2knj h ALA 47 Cb 0.01 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 2knj h ALA 47 CO -0.03 -1.20 0.04 1.88 0.00 0.00 0.00 179.25 179.94 2knj h TYR 48 N -1.10 0.63 -0.80 0.00 -1.99 -0.05 -0.45 116.97 113.21 2knj h TYR 48 Ca -0.09 -0.06 0.12 0.00 2.00 0.00 0.00 58.73 60.70 2knj h TYR 48 Cb 0.89 -0.18 -0.08 0.00 2.00 0.00 0.00 36.73 39.36 2knj h TYR 48 CO -0.12 0.58 0.42 -0.09 -0.00 0.00 0.00 178.16 178.94 2knj h ARG 49 N 0.58 0.64 0.00 4.88 1.12 -0.19 0.11 114.38 121.52 2knj h ARG 49 Ca 0.13 -0.04 -0.17 0.00 -1.11 0.00 0.00 59.98 58.79 2knj h ARG 49 Cb 0.31 -0.14 -0.03 0.00 -0.01 0.00 0.00 29.97 30.10 2knj h ARG 49 CO 0.01 0.42 -1.00 -0.22 -3.11 0.00 0.00 179.97 176.07 2knj h LYS 50 N 0.66 0.00 -0.46 0.20 3.64 -0.20 -1.37 116.57 119.04 2knj h LYS 50 Ca 0.41 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.86 2knj h LYS 50 Cb 0.49 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.25 2knj h LYS 50 CO -0.31 0.57 0.11 1.98 -2.27 0.00 0.00 179.45 179.54 2knj h MET 51 N 0.00 0.25 -0.35 1.90 4.05 -0.37 0.57 114.93 120.97 2knj h MET 51 Ca -0.08 -0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.26 2knj h MET 51 Cb 1.61 -0.06 -0.02 0.00 -0.80 0.00 0.00 31.60 32.33 2knj h MET 51 CO 0.08 0.16 -0.07 0.00 0.23 0.00 0.00 176.91 177.31 2knj h ALA 53 N 1.38 -0.53 0.00 0.00 0.00 -0.58 -3.43 119.26 116.10 2knj h ALA 53 Ca 0.11 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2knj h ALA 53 Cb 0.46 0.14 -0.13 0.00 0.00 0.00 0.00 17.79 18.26 2knj h ALA 53 CO 0.02 -0.50 -0.27 -2.37 0.00 0.00 0.00 179.25 176.13 2knj n THR 54 N -3.91 0.00 -0.81 0.00 5.66 0.15 -5.08 114.28 110.28 2knj n THR 54 Ca -0.04 -0.28 0.10 0.00 -3.05 0.00 0.00 64.05 60.78 2knj n THR 54 Cb 0.14 0.62 -0.04 0.00 -1.55 0.00 0.00 70.33 69.50 2knj n THR 54 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 2knj n ASN 55 N -0.43 -4.89 0.00 1.09 4.13 0.15 -4.91 115.26 110.41 2knj n ASN 55 Ca -0.24 0.57 0.00 0.00 1.68 0.00 0.00 54.58 56.59 2knj n ASN 55 Cb 0.73 -2.62 0.00 0.00 -1.54 0.00 0.00 39.78 36.35 2knj n ASN 55 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 2knj n ASN 56 N -3.49 0.00 0.05 6.41 5.15 -1.26 -4.23 115.26 117.89 2knj n ASN 56 Ca -0.02 0.00 0.14 0.00 -0.60 0.00 0.00 54.58 54.10 2knj n ASN 56 Cb 0.38 0.00 0.62 0.00 -0.53 0.00 0.00 39.78 40.25 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 0.11 0.00 1.20 8.10 -1.88 -1.81 115.31 121.03 2knj h LEU 57 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2knj h LEU 57 Cb 0.00 -0.02 0.00 0.00 -0.44 0.00 0.00 40.66 40.20 2knj h LEU 57 CO 0.00 0.07 0.00 -1.84 -4.11 0.00 0.00 178.44 172.56 2knj n GLU 58 N -4.45 0.03 0.02 0.17 -0.00 -1.26 -2.90 120.64 112.25 2knj n GLU 58 Ca 0.06 0.33 -0.03 0.00 -0.00 0.00 0.00 57.16 57.52 2knj n GLU 58 Cb 0.39 -1.50 -0.02 0.00 -0.00 0.00 0.00 31.44 30.31 2knj n GLU 58 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.13 177.50 2knj h GLN 59 N 0.00 -0.14 0.00 3.44 -0.00 -1.69 -1.45 115.11 115.26 2knj h GLN 59 Ca 0.00 0.01 -0.08 0.00 -0.00 0.00 0.00 58.65 58.58 2knj h GLN 59 Cb 0.12 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 27.62 2knj h GLN 59 CO 0.00 -0.10 -0.61 0.00 0.00 0.00 0.00 178.83 178.12 2knj h ALA 60 N -1.36 0.09 -0.87 3.38 0.00 -1.79 -2.73 119.26 115.98 2knj h ALA 60 Ca -0.00 -0.68 0.22 0.00 0.00 0.00 0.00 54.91 54.45 2knj h ALA 60 Cb 0.15 0.43 -0.15 0.00 0.00 0.00 0.00 17.79 18.21 2knj h ALA 60 CO -0.06 0.41 0.05 0.00 0.00 0.00 0.00 179.25 179.66 2knj h MET 61 N -1.00 0.08 0.00 0.00 -0.00 -1.65 0.47 114.93 112.84 2knj h MET 61 Ca -0.12 -0.01 -0.15 0.00 -0.00 0.00 0.00 59.70 59.42 2knj h MET 61 Cb 0.79 -0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 32.35 2knj h MET 61 CO -0.08 0.06 -0.72 1.03 -0.00 0.00 0.00 176.91 177.20 2knj h SER 62 N 0.09 0.00 0.03 -0.10 0.87 -1.39 0.41 113.55 113.45 2knj h SER 62 Ca 0.51 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 61.03 2knj h SER 62 Cb 0.97 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.92 2knj h SER 62 CO -0.76 0.72 -0.10 0.58 -0.53 0.00 0.00 176.83 176.73 2knj h VAL 63 N 0.00 1.15 0.00 2.23 2.07 -0.74 -3.36 116.25 117.59 2knj h VAL 63 Ca -0.01 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.87 2knj h VAL 63 Cb 1.47 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 32.41 2knj h VAL 63 CO 0.09 0.20 -0.06 1.88 0.02 0.00 0.00 177.57 179.70 2knj h TYR 64 N 0.18 0.00 -2.09 1.57 -1.99 0.69 -3.48 116.97 111.85 2knj h TYR 64 Ca 0.04 0.00 -0.47 0.00 2.00 0.00 0.00 58.73 60.30 2knj h TYR 64 Cb 0.30 0.00 0.08 0.00 2.00 0.00 0.00 36.73 39.12 2knj h TYR 64 CO 0.00 0.00 0.11 -0.59 -0.00 0.00 0.00 178.16 177.68 2knj s PHE 65 N -1.34 1.49 0.45 4.88 -0.12 0.13 -5.09 117.98 118.39 2knj s PHE 65 Ca -0.02 -0.31 0.08 0.00 -0.05 0.00 0.00 56.93 56.64 2knj s PHE 65 Cb 0.00 -2.99 0.03 0.00 -0.63 0.00 0.00 43.02 39.43 2knj s PHE 65 CO 0.03 -1.76 0.61 0.95 -0.05 0.00 0.00 175.22 175.01 2knj s THR 66 N -3.16 2.83 0.30 -4.49 -4.23 -1.26 -4.59 115.64 101.04 2knj s THR 66 Ca 0.67 -1.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.21 2knj s THR 66 Cb -0.05 -2.83 0.11 0.00 1.34 0.00 0.00 72.50 71.07 2knj s THR 66 CO 0.45 0.00 1.78 -0.55 -0.54 0.00 0.00 174.62 175.76 2knj h ASN 67 N 0.55 0.52 -0.45 3.99 -1.07 -1.98 -1.38 115.58 115.76 2knj h ASN 67 Ca -0.38 -0.14 -0.05 0.00 0.07 0.00 0.00 56.30 55.80 2knj h ASN 67 Cb 1.28 -0.14 -0.02 0.00 -2.07 0.00 0.00 38.32 37.37 2knj h ASN 67 CO 0.44 0.68 0.10 1.05 0.07 0.00 0.00 177.43 179.77 2knj h GLU 68 N 0.49 0.80 -0.61 4.14 4.11 -1.99 -1.39 114.58 120.13 2knj h GLU 68 Ca 0.09 -0.17 -0.06 0.00 0.07 0.00 0.00 59.36 59.29 2knj h GLU 68 Cb 0.52 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.62 2knj h GLU 68 CO 0.03 0.74 0.16 0.37 0.07 0.00 0.00 179.01 180.38 2knj h GLN 69 N 0.77 0.95 0.00 1.06 -0.00 -1.65 -1.15 115.11 115.09 2knj h GLN 69 Ca 0.16 -0.20 0.00 0.00 -0.00 0.00 0.00 58.65 58.61 2knj h GLN 69 Cb 0.33 -0.14 0.00 0.00 0.00 0.00 0.00 27.48 27.67 2knj h GLN 69 CO 0.00 0.84 -0.57 0.97 0.00 0.00 0.00 178.83 180.07 2knj h ILE 70 N 0.91 0.00 -0.65 2.39 6.09 -1.19 -1.10 117.51 123.96 2knj h ILE 70 Ca 0.20 -0.73 -0.09 0.00 -1.37 0.00 0.00 64.86 62.87 2knj h ILE 70 Cb 0.31 1.40 -0.02 0.00 0.47 0.00 0.00 36.82 38.98 2knj h ILE 70 CO -0.00 0.00 0.06 0.11 -3.07 0.00 0.00 178.15 175.25 2knj h LYS 71 N 0.00 1.10 -0.02 2.19 1.57 -0.77 0.22 116.57 120.86 2knj h LYS 71 Ca 0.00 -0.32 -0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2knj h LYS 71 Cb 0.87 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.06 2knj h LYS 71 CO 0.00 1.03 0.01 1.49 -0.57 0.00 0.00 179.45 181.41 2knj h GLU 72 N 1.02 0.02 0.00 3.15 4.81 -0.94 -2.12 114.58 120.52 2knj h GLU 72 Ca 0.19 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2knj h GLU 72 Cb 0.50 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 2knj h GLU 72 CO 0.02 0.11 0.00 0.82 -0.73 0.00 0.00 179.01 179.23 2knj h ILE 73 N -0.07 0.00 0.84 2.32 2.04 -1.12 0.15 117.51 121.66 2knj h ILE 73 Ca 0.01 -0.41 -0.04 0.00 1.00 0.00 0.00 64.86 65.41 2knj h ILE 73 Cb 0.10 1.40 0.01 0.00 -0.74 0.00 0.00 36.82 37.58 2knj h ILE 73 CO -0.00 0.00 -0.40 -0.74 0.00 0.00 0.00 178.15 177.01 2knj h HIS 74 N 0.00 -1.04 -0.54 1.37 2.76 0.08 0.80 115.15 118.58 2knj h HIS 74 Ca 0.00 -0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.08 2knj h HIS 74 Cb 0.42 0.34 -0.02 0.00 1.55 0.00 0.00 27.41 29.70 2knj h HIS 74 CO 0.00 -0.65 0.09 0.22 -1.30 0.00 0.00 177.93 176.29 2knj h ASP 75 N -1.29 0.81 -0.36 3.26 3.58 -1.28 -0.79 116.42 120.36 2knj h ASP 75 Ca -0.11 -0.17 0.03 0.00 0.42 0.00 0.00 57.03 57.19 2knj h ASP 75 Cb 0.86 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 41.67 2knj h ASP 75 CO 0.19 0.82 0.18 0.00 -2.88 0.00 0.00 179.24 177.55 2knj h ALA 76 N 1.28 0.44 -0.00 -0.78 0.00 0.03 0.98 119.26 121.21 2knj h ALA 76 Ca 0.17 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.09 2knj h ALA 76 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2knj h ALA 76 CO 0.01 -0.19 -0.10 0.00 0.00 0.00 0.00 179.25 178.96 2knj n ALA 77 N -2.26 2.74 -0.10 0.00 0.00 0.28 0.11 120.51 121.27 2knj n ALA 77 Ca 0.01 -0.26 -0.17 0.00 0.00 0.00 0.00 53.44 53.02 2knj n ALA 77 Cb 0.08 -1.35 -0.08 0.00 0.00 0.00 0.00 19.45 18.11 2knj n ALA 77 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2knj n THR 78 N -0.99 1.50 1.07 0.00 -1.04 -0.33 -4.50 114.28 109.99 2knj n THR 78 Ca 0.14 0.01 0.12 0.00 -2.04 0.00 0.00 64.05 62.28 2knj n THR 78 Cb 0.27 -2.14 0.11 0.00 -1.82 0.00 0.00 70.33 66.75 2knj n THR 78 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2knj n ALA 79 N -3.63 3.38 -2.60 2.41 0.00 0.26 -4.91 120.51 115.41 2knj n ALA 79 Ca -0.27 -0.58 -0.15 0.00 0.00 0.00 0.00 53.44 52.44 2knj n ALA 79 Cb 0.58 -0.89 0.01 0.00 0.00 0.00 0.00 19.45 19.15 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 -2.66 -0.25 0.00 0.00 -1.08 -0.30 -4.80 116.67 107.58 2knj s ASP 81 Ca 0.14 0.69 0.00 0.00 -0.52 0.00 0.00 52.55 52.85 2knj s ASP 81 Cb -0.06 1.42 0.00 0.00 -1.46 0.00 0.00 42.92 42.82 2knj s ASP 81 CO 0.17 -0.26 1.39 -2.65 0.52 0.00 0.00 175.17 174.33 2knj n PRO 82 N 5.39 0.70 -3.83 4.34 -0.02 -1.26 -1.89 135.00 138.43 2knj n PRO 82 Ca -0.06 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.13 2knj n PRO 82 Cb 0.50 -1.15 0.01 0.00 -0.02 0.00 0.00 33.50 32.84 2knj n PRO 82 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2knj n GLU 83 N 1.63 -4.61 -3.83 -0.52 4.07 -1.26 -0.35 120.64 115.76 2knj n GLU 83 Ca 0.00 0.54 -0.28 0.00 -0.06 0.00 0.00 57.16 57.36 2knj n GLU 83 Cb 0.35 -5.37 0.04 0.00 -0.06 0.00 0.00 31.44 26.40 2knj n GLU 83 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2knj n ALA 84 N -4.34 -1.31 -2.96 4.31 0.00 -1.26 -2.19 120.51 112.75 2knj n ALA 84 Ca 0.03 0.24 -0.12 0.00 0.00 0.00 0.00 53.44 53.59 2knj n ALA 84 Cb 0.52 -4.70 0.06 0.00 0.00 0.00 0.00 19.45 15.34 2knj n ALA 84 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2knj n HIS 85 N -4.76 -1.75 0.00 0.00 8.25 0.53 -4.96 115.22 112.53 2knj n HIS 85 Ca 0.03 0.68 0.00 0.00 -0.26 0.00 0.00 57.72 58.17 2knj n HIS 85 Cb 0.54 -4.06 0.00 0.00 1.12 0.00 0.00 29.99 27.59 2knj n HIS 85 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2knj n HIS 86 N -3.11 0.00 -4.55 4.41 -0.00 -0.53 -5.13 115.22 106.32 2knj n HIS 86 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.58 2knj n HIS 86 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.60 2knj n HIS 86 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2knj n GLU 87 N -0.67 0.00 -1.53 1.57 1.02 -1.16 -5.01 120.64 114.86 2knj n GLU 87 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 2knj n GLU 87 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 2knj n GLU 87 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2knj n HIS 88 N -0.04 -2.07 0.00 -0.32 -0.00 -1.26 -4.82 115.22 106.71 2knj n HIS 88 Ca 0.00 1.23 0.00 0.00 0.46 0.00 0.00 57.72 59.41 2knj n HIS 88 Cb 0.00 -2.78 0.00 0.00 -0.12 0.00 0.00 29.99 27.09 2knj n HIS 88 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 2knj n ASP 89 N 0.78 0.00 0.00 0.26 9.92 -1.26 -5.00 116.55 121.25 2knj n ASP 89 Ca 0.00 0.47 0.00 0.00 -0.53 0.00 0.00 54.79 54.73 2knj n ASP 89 Cb 0.00 -0.22 0.00 0.00 -0.64 0.00 0.00 41.12 40.26 2knj n ASP 89 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74