#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 -0.35 1.57 -0.00 -1.26 -3.09 115.22 112.09 2knj n HIS 2 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.76 2knj n HIS 2 Cb 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 29.99 30.19 2knj n HIS 2 CO 0.00 0.00 0.00 1.96 -0.00 0.00 0.00 176.34 178.30 2knj h GLN 3 N 0.00 1.00 -4.36 1.57 4.20 -2.06 -3.40 115.11 112.05 2knj h GLN 3 Ca 0.00 -0.06 -0.40 0.00 0.06 0.00 0.00 58.65 58.25 2knj h GLN 3 Cb 0.00 -0.22 -0.31 0.00 0.30 0.00 0.00 27.48 27.24 2knj h GLN 3 CO 0.00 0.66 -0.78 -1.21 -0.67 0.00 0.00 178.83 176.83 2knj s GLU 4 N -6.00 0.81 -0.28 1.46 0.41 -1.18 -4.96 118.70 108.96 2knj s GLU 4 Ca -0.12 -0.22 0.16 0.00 -0.41 0.00 0.00 54.97 54.38 2knj s GLU 4 Cb 0.21 -0.78 0.49 0.00 -1.78 0.00 0.00 34.13 32.27 2knj s GLU 4 CO 0.81 0.05 1.13 -0.11 -0.49 0.00 0.00 175.26 176.65 2knj n LEU 5 N 3.45 2.88 -3.62 1.80 -0.00 -1.26 -1.03 117.00 119.22 2knj n LEU 5 Ca -0.19 -3.74 -0.23 0.00 -0.00 0.00 0.00 56.01 51.85 2knj n LEU 5 Cb 0.54 0.15 0.07 0.00 -0.00 0.00 0.00 43.42 44.18 2knj n LEU 5 CO 0.24 1.48 0.13 0.00 -0.00 0.00 0.00 177.39 179.24 2knj n THR 7 N -4.57 0.47 0.55 0.00 -2.24 -1.26 -3.37 114.28 103.86 2knj n THR 7 Ca -0.12 -0.64 0.02 0.00 -2.27 0.00 0.00 64.05 61.03 2knj n THR 7 Cb 0.61 0.70 0.11 0.00 -2.10 0.00 0.00 70.33 69.65 2knj n THR 7 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2knj n LYS 8 N 1.12 2.02 -0.59 -0.78 5.02 -1.26 -5.01 118.16 118.68 2knj n LYS 8 Ca 0.18 -0.84 0.08 0.00 -2.02 0.00 0.00 58.31 55.71 2knj n LYS 8 Cb 0.51 -1.67 -0.02 0.00 -0.02 0.00 0.00 35.03 33.83 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 0.21 -1.67 0.13 0.72 0.00 -1.22 -2.21 105.19 101.15 2knj n GLY 9 Ca 0.07 -1.20 0.12 0.00 0.00 0.00 0.00 46.02 45.02 2knj n GLY 9 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2knj n ASP 10 N -2.71 0.69 0.17 1.61 5.75 -1.26 -1.84 116.55 118.96 2knj n ASP 10 Ca 0.00 0.66 -0.12 0.00 -0.01 0.00 0.00 54.79 55.32 2knj n ASP 10 Cb 0.27 -0.81 -0.07 0.00 -1.03 0.00 0.00 41.12 39.48 2knj n ASP 10 CO 0.00 0.00 0.00 -0.78 -0.11 0.00 0.00 177.20 176.31 2knj h ASP 11 N 0.00 -1.00 -0.39 -1.12 1.82 -1.99 0.66 116.42 114.41 2knj h ASP 11 Ca 0.00 0.09 -0.10 0.00 -0.39 0.00 0.00 57.03 56.62 2knj h ASP 11 Cb 0.41 0.34 -0.02 0.00 0.68 0.00 0.00 39.33 40.74 2knj h ASP 11 CO 0.00 -0.44 -0.14 0.00 -1.61 0.00 0.00 179.24 177.05 2knj h ALA 12 N -1.09 0.90 -0.89 -0.78 0.00 -1.38 -2.39 119.26 113.63 2knj h ALA 12 Ca -0.03 -0.34 0.03 0.00 0.00 0.00 0.00 54.91 54.56 2knj h ALA 12 Cb 0.59 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.15 2knj h ALA 12 CO -0.08 0.63 0.58 1.25 0.00 0.00 0.00 179.25 181.63 2knj h LEU 13 N 0.76 0.98 -0.16 0.00 5.85 -1.15 0.23 115.31 121.82 2knj h LEU 13 Ca 0.12 -0.01 -0.23 0.00 0.84 0.00 0.00 57.88 58.60 2knj h LEU 13 Cb 0.65 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 41.46 2knj h LEU 13 CO 0.05 0.69 -0.85 0.58 -0.34 0.00 0.00 178.44 178.57 2knj h VAL 14 N 1.15 1.30 0.08 1.05 2.07 0.43 0.52 116.25 122.85 2knj h VAL 14 Ca 0.35 -2.10 -0.00 0.00 0.82 0.00 0.00 66.70 65.76 2knj h VAL 14 Cb -0.05 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.85 2knj h VAL 14 CO -0.10 0.65 -0.04 0.74 0.02 0.00 0.00 177.57 178.84 2knj h THR 15 N 0.45 1.06 0.00 2.57 2.02 -1.05 0.13 112.91 118.08 2knj h THR 15 Ca -0.07 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 2knj h THR 15 Cb 1.48 1.38 -0.00 0.00 -1.74 0.00 0.00 68.15 69.26 2knj h THR 15 CO 0.17 0.12 -0.13 -0.33 0.37 0.00 0.00 175.52 175.72 2knj h GLU 16 N -0.33 0.00 -0.35 6.66 5.08 -0.58 -0.45 114.58 124.60 2knj h GLU 16 Ca -0.01 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 2knj h GLU 16 Cb 0.29 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2knj h GLU 16 CO 0.02 0.13 -0.19 1.25 -1.00 0.00 0.00 179.01 179.21 2knj h LEU 17 N 0.00 0.67 -2.31 1.33 5.85 0.66 0.66 115.31 122.17 2knj h LEU 17 Ca -0.00 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 2knj h LEU 17 Cb 0.30 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.15 2knj h LEU 17 CO 0.02 0.86 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.85 2knj h GLU 18 N 0.59 0.00 0.11 1.25 4.57 0.92 0.54 114.58 122.56 2knj h GLU 18 Ca 0.09 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.95 2knj h GLU 18 Cb 0.66 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.23 2knj h GLU 18 CO 0.05 0.04 -1.66 0.00 -1.18 0.00 0.00 179.01 176.26 2knj n ILE 20 N -3.41 0.00 0.00 0.00 5.41 0.21 -4.14 119.36 117.43 2knj n ILE 20 Ca -0.20 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.55 2knj n ILE 20 Cb 1.05 -0.55 0.00 0.00 -0.71 0.00 0.00 39.64 39.43 2knj n ILE 20 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2knj n ARG 21 N -0.99 0.00 -1.54 0.38 1.85 0.18 -4.73 116.66 111.81 2knj n ARG 21 Ca 0.21 0.07 -0.12 0.00 -1.00 0.00 0.00 57.85 57.00 2knj n ARG 21 Cb 0.10 -1.54 -0.04 0.00 -1.05 0.00 0.00 32.46 29.93 2knj n ARG 21 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2knj n LEU 22 N -0.94 -1.04 -1.37 2.89 4.32 -1.26 -4.79 117.00 114.82 2knj n LEU 22 Ca 0.00 0.24 0.08 0.00 -0.02 0.00 0.00 56.01 56.31 2knj n LEU 22 Cb 0.04 -1.91 0.30 0.00 -1.62 0.00 0.00 43.42 40.23 2knj n LEU 22 CO 0.00 -0.54 0.74 -1.14 -1.22 0.00 0.00 177.39 175.23 2knj n ARG 23 N -2.55 3.25 0.00 3.23 0.00 -1.26 -4.76 116.66 114.57 2knj n ARG 23 Ca -0.13 -2.38 0.00 0.00 -0.00 0.00 0.00 57.85 55.34 2knj n ARG 23 Cb 0.45 -1.78 0.00 0.00 0.00 0.00 0.00 32.46 31.13 2knj n ARG 23 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 2knj n ILE 24 N 0.93 0.00 0.00 5.15 5.41 -1.26 -5.04 119.36 124.55 2knj n ILE 24 Ca 0.22 0.56 0.00 0.00 1.00 0.00 0.00 62.75 64.53 2knj n ILE 24 Cb 0.76 -1.48 0.00 0.00 -0.71 0.00 0.00 39.64 38.21 2knj n ILE 24 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2knj n SER 25 N -0.07 0.00 -3.36 4.38 2.88 -1.26 -4.89 113.62 111.29 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 0.25 0.00 -1.46 -0.02 -1.26 -4.78 135.00 127.73 2knj n PRO 26 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 63.50 61.53 2knj n PRO 26 Cb 0.00 0.00 0.31 0.00 -0.02 0.00 0.00 33.50 33.79 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 -0.53 0.35 -0.21 -0.52 1.02 -1.26 -3.88 120.64 115.60 2knj n GLU 27 Ca 0.00 0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.22 2knj n GLU 27 Cb 0.00 -1.47 0.16 0.00 -0.02 0.00 0.00 31.44 30.11 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 -0.97 -0.26 0.27 2.62 5.66 -1.26 0.19 114.28 120.53 2knj n THR 28 Ca 0.08 1.36 -0.11 0.00 -3.05 0.00 0.00 64.05 62.33 2knj n THR 28 Cb 0.04 -1.97 -0.05 0.00 -1.55 0.00 0.00 70.33 66.79 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 -0.62 0.03 1.09 -0.26 -1.88 -1.07 115.58 112.88 2knj h ASN 29 Ca 0.36 0.02 0.02 0.00 -0.56 0.00 0.00 56.30 56.13 2knj h ASN 29 Cb 0.70 0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 38.10 2knj h ASN 29 CO -0.59 -0.27 -0.12 0.00 -1.06 0.00 0.00 177.43 175.40 2knj h ALA 30 N -1.32 -0.16 0.37 -0.83 0.00 -1.62 -1.14 119.26 114.57 2knj h ALA 30 Ca -0.07 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2knj h ALA 30 Cb 0.56 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2knj h ALA 30 CO 0.12 -0.62 -0.18 0.00 0.00 0.00 0.00 179.25 178.58 2knj h ALA 31 N 0.72 -0.95 -0.12 0.00 0.00 -0.34 -2.47 119.26 116.12 2knj h ALA 31 Ca 0.03 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2knj h ALA 31 Cb 0.25 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2knj h ALA 31 CO -0.09 -0.91 -0.03 0.74 0.00 0.00 0.00 179.25 178.96 2knj h PHE 32 N -0.58 0.16 -0.30 0.00 0.04 -1.27 0.48 116.94 115.47 2knj h PHE 32 Ca -0.05 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.69 2knj h PHE 32 Cb 0.38 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 2knj h PHE 32 CO 0.10 0.20 0.10 0.22 -0.60 0.00 0.00 178.31 178.34 2knj h ASP 33 N 0.16 0.42 -0.03 2.17 3.58 -1.19 1.09 116.42 122.63 2knj h ASP 33 Ca 0.04 -0.19 -0.13 0.00 0.42 0.00 0.00 57.03 57.16 2knj h ASP 33 Cb 0.16 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.09 2knj h ASP 33 CO 0.01 0.50 -0.42 -1.13 -2.88 0.00 0.00 179.24 175.32 2knj h ASN 34 N 0.32 0.59 0.67 2.28 -1.24 -1.02 -1.12 115.58 116.07 2knj h ASN 34 Ca 0.10 -0.27 -0.03 0.00 0.71 0.00 0.00 56.30 56.81 2knj h ASN 34 Cb 0.22 -0.17 0.01 0.00 0.73 0.00 0.00 38.32 39.12 2knj h ASN 34 CO -0.00 0.93 -0.32 0.00 -1.29 0.00 0.00 177.43 176.75 2knj h ALA 35 N 1.09 -0.98 0.00 1.57 0.00 0.87 -1.99 119.26 119.83 2knj h ALA 35 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2knj h ALA 35 Cb 0.92 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2knj h ALA 35 CO 0.08 -0.91 0.00 0.28 0.00 0.00 0.00 179.25 178.70 2knj h VAL 36 N -1.15 0.00 -0.29 0.00 2.07 0.11 0.24 116.25 117.22 2knj h VAL 36 Ca -0.09 -0.34 0.01 0.00 0.82 0.00 0.00 66.70 67.10 2knj h VAL 36 Cb 0.69 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.71 2knj h VAL 36 CO 0.15 0.00 0.16 -0.61 0.02 0.00 0.00 177.57 177.29 2knj h GLN 37 N 0.00 0.32 0.58 1.57 4.15 -1.07 0.46 115.11 121.12 2knj h GLN 37 Ca 0.00 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.37 2knj h GLN 37 Cb 0.37 -0.07 0.01 0.00 0.21 0.00 0.00 27.48 27.99 2knj h GLN 37 CO 0.00 0.21 -0.28 1.96 -1.93 0.00 0.00 178.83 178.79 2knj h GLN 38 N 0.33 -0.75 -0.16 1.69 4.20 0.22 -3.08 115.11 117.55 2knj h GLN 38 Ca 0.12 0.05 0.05 0.00 0.06 0.00 0.00 58.65 58.92 2knj h GLN 38 Cb 0.01 0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.96 2knj h GLN 38 CO -0.06 -0.50 0.14 -0.07 -0.67 0.00 0.00 178.83 177.67 2knj h LEU 39 N -0.81 0.00 0.74 1.46 3.38 -1.41 -3.45 115.31 115.22 2knj h LEU 39 Ca -0.08 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.57 2knj h LEU 39 Cb 0.60 0.00 0.05 0.00 0.09 0.00 0.00 40.66 41.39 2knj h LEU 39 CO 0.13 0.00 -0.47 -3.20 0.09 0.00 0.00 178.44 174.99 2knj n ASN 40 N -4.13 -5.15 0.00 -0.43 2.85 0.16 -4.86 115.26 103.70 2knj n ASN 40 Ca 0.01 -0.22 0.11 0.00 -0.11 0.00 0.00 54.58 54.37 2knj n ASN 40 Cb 0.27 -4.00 0.47 0.00 1.24 0.00 0.00 39.78 37.75 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 -1.49 0.00 -4.94 0.00 4.77 -1.25 -4.75 117.00 109.34 2knj n LEU 42 Ca 0.05 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.80 2knj n LEU 42 Cb 0.25 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 2knj n LEU 42 CO 0.20 0.00 -0.09 0.54 -1.33 0.00 0.00 177.39 176.72 2knj s ASN 43 N 0.00 6.20 0.00 -1.43 6.03 -1.26 -4.94 114.94 119.54 2knj s ASN 43 Ca 0.00 0.07 0.29 0.00 -1.03 0.00 0.00 52.86 52.19 2knj s ASN 43 Cb 0.00 -1.81 1.30 0.00 -3.03 0.00 0.00 41.25 37.70 2knj s ASN 43 CO 0.00 -0.01 1.91 0.54 -2.03 0.00 0.00 177.10 177.51 2knj n ARG 44 N -0.96 0.56 -0.02 3.55 3.00 -1.26 -3.50 116.66 118.03 2knj n ARG 44 Ca -0.08 -0.14 -0.13 0.00 -0.01 0.00 0.00 57.85 57.49 2knj n ARG 44 Cb 0.56 -1.50 -0.08 0.00 0.00 0.00 0.00 32.46 31.43 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 3.52 0.08 -0.99 7.54 0.00 -1.91 -1.60 119.26 125.89 2knj h ALA 45 Ca 0.00 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2knj h ALA 45 Cb 0.34 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 2knj h ALA 45 CO 0.00 -0.17 0.65 0.00 0.00 0.00 0.00 179.25 179.73 2knj h ALA 47 N 1.39 -1.11 0.00 0.00 0.00 -1.60 -0.54 119.26 117.40 2knj h ALA 47 Ca 0.36 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 2knj h ALA 47 Cb -0.14 0.75 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2knj h ALA 47 CO -0.08 -1.16 -0.12 1.88 0.00 0.00 0.00 179.25 179.77 2knj h TYR 48 N -0.92 0.00 -0.30 0.00 -1.99 -1.08 -0.97 116.97 111.71 2knj h TYR 48 Ca -0.05 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.58 2knj h TYR 48 Cb 0.82 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.53 2knj h TYR 48 CO -0.29 0.12 -0.25 -0.09 -0.00 0.00 0.00 178.16 177.65 2knj h ARG 49 N 0.00 0.59 0.00 4.88 2.43 -0.06 0.35 114.38 122.57 2knj h ARG 49 Ca -0.00 -0.23 -0.20 0.00 -0.81 0.00 0.00 59.98 58.74 2knj h ARG 49 Cb 0.32 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.81 2knj h ARG 49 CO 0.02 0.79 -1.03 -0.22 -1.51 0.00 0.00 179.97 178.01 2knj h LYS 50 N 0.52 0.00 -0.60 0.20 1.63 -0.33 -1.76 116.57 116.23 2knj h LYS 50 Ca 0.07 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.86 2knj h LYS 50 Cb 0.70 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.30 2knj h LYS 50 CO 0.05 0.83 0.33 1.98 -3.45 0.00 0.00 179.45 179.19 2knj h MET 51 N 0.00 0.83 -0.00 1.90 4.05 -0.87 0.48 114.93 121.31 2knj h MET 51 Ca -0.05 -0.10 -0.11 0.00 -0.28 0.00 0.00 59.70 59.16 2knj h MET 51 Cb 1.74 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 32.36 2knj h MET 51 CO 0.11 0.64 -0.52 0.00 0.23 0.00 0.00 176.91 177.37 2knj h ALA 53 N 1.48 0.30 0.00 0.00 0.00 -1.07 -3.02 119.26 116.95 2knj h ALA 53 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2knj h ALA 53 Cb 0.92 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2knj h ALA 53 CO 0.07 -0.04 0.00 -2.37 0.00 0.00 0.00 179.25 176.91 2knj n THR 54 N -4.73 0.00 0.00 0.00 5.66 0.75 -4.56 114.28 111.40 2knj n THR 54 Ca -0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.96 2knj n THR 54 Cb 0.18 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.96 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 -2.07 0.00 0.00 1.09 6.94 0.13 -4.74 115.26 116.61 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 0.34 0.53 5.15 -1.26 -4.08 115.26 115.94 2knj n ASN 56 Ca 0.00 0.00 0.22 0.00 -0.60 0.00 0.00 54.58 54.20 2knj n ASN 56 Cb 0.00 0.00 1.17 0.00 -0.53 0.00 0.00 39.78 40.42 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 -2.07 1.20 8.10 -1.87 -3.06 115.31 117.61 2knj h LEU 57 Ca 0.00 0.00 0.10 0.00 0.11 0.00 0.00 57.88 58.09 2knj h LEU 57 Cb 0.00 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.21 2knj h LEU 57 CO 0.00 0.00 0.29 1.05 -4.11 0.00 0.00 178.44 175.67 2knj h GLU 58 N 0.00 0.00 0.00 0.17 4.11 -1.93 -2.96 114.58 113.97 2knj h GLU 58 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2knj h GLU 58 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2knj h GLU 58 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.12 2knj n GLN 59 N -4.14 0.00 -0.08 1.06 6.02 -1.16 -1.10 117.38 117.98 2knj n GLN 59 Ca 0.05 0.87 -0.13 0.00 -0.01 0.00 0.00 57.00 57.78 2knj n GLN 59 Cb 0.46 -1.49 -0.07 0.00 1.02 0.00 0.00 30.24 30.16 2knj n GLN 59 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2knj h ALA 60 N -1.26 0.12 -0.82 -1.58 0.00 -1.82 -2.76 119.26 111.14 2knj h ALA 60 Ca 0.00 -0.77 0.20 0.00 0.00 0.00 0.00 54.91 54.33 2knj h ALA 60 Cb 0.00 0.51 -0.12 0.00 0.00 0.00 0.00 17.79 18.17 2knj h ALA 60 CO 0.00 0.49 0.26 0.00 0.00 0.00 0.00 179.25 179.99 2knj h MET 61 N -1.00 0.29 0.00 0.00 -0.00 -1.50 0.18 114.93 112.90 2knj h MET 61 Ca -0.16 -0.02 -0.14 0.00 -0.00 0.00 0.00 59.70 59.38 2knj h MET 61 Cb 0.87 -0.06 -0.02 0.00 -0.00 0.00 0.00 31.60 32.38 2knj h MET 61 CO -0.09 0.19 -0.68 1.03 -0.00 0.00 0.00 176.91 177.35 2knj h SER 62 N 0.30 0.00 -0.60 -0.10 0.87 -1.24 0.16 113.55 112.94 2knj h SER 62 Ca 0.49 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 61.04 2knj h SER 62 Cb 0.91 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.84 2knj h SER 62 CO -0.55 0.68 0.32 0.58 -0.53 0.00 0.00 176.83 177.33 2knj h VAL 63 N 0.00 1.19 0.00 2.23 2.07 -0.79 -3.36 116.25 117.60 2knj h VAL 63 Ca -0.01 -0.50 0.00 0.00 0.82 0.00 0.00 66.70 67.01 2knj h VAL 63 Cb 1.39 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.53 2knj h VAL 63 CO 0.09 0.22 0.00 -1.22 0.02 0.00 0.00 177.57 176.68 2knj n TYR 64 N -4.37 0.00 -2.06 1.57 4.02 0.46 -4.93 117.16 111.84 2knj n TYR 64 Ca 0.06 0.00 -0.28 0.00 -0.01 0.00 0.00 57.90 57.67 2knj n TYR 64 Cb 0.11 -0.40 0.06 0.00 -0.02 0.00 0.00 39.34 39.08 2knj n TYR 64 CO 0.00 0.00 0.00 -0.59 -1.01 0.00 0.00 176.86 175.26 2knj s PHE 65 N -1.34 3.15 0.66 -0.72 -0.12 0.50 -5.09 117.98 115.02 2knj s PHE 65 Ca 0.00 0.78 0.02 0.00 -0.05 0.00 0.00 56.93 57.68 2knj s PHE 65 Cb 0.00 -3.11 0.10 0.00 -0.63 0.00 0.00 43.02 39.38 2knj s PHE 65 CO 0.00 -1.27 0.91 0.95 -0.05 0.00 0.00 175.22 175.76 2knj s THR 66 N -3.30 2.24 0.09 -4.49 -4.23 -1.26 -4.66 115.64 100.03 2knj s THR 66 Ca 0.58 -0.70 -0.25 0.00 -1.18 0.00 0.00 61.69 60.14 2knj s THR 66 Cb -0.11 -2.55 -0.15 0.00 1.34 0.00 0.00 72.50 71.03 2knj s THR 66 CO 0.48 0.00 1.71 0.78 -0.54 0.00 0.00 174.62 177.06 2knj h ASN 67 N -0.26 -0.19 0.26 3.99 2.35 -1.98 -2.00 115.58 117.75 2knj h ASN 67 Ca -0.36 0.01 -0.06 0.00 -0.55 0.00 0.00 56.30 55.34 2knj h ASN 67 Cb 1.28 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.69 2knj h ASN 67 CO 0.42 -0.13 -0.27 1.05 -1.65 0.00 0.00 177.43 176.85 2knj h GLU 68 N -0.20 0.03 -0.64 0.81 4.11 -1.99 -1.00 114.58 115.70 2knj h GLU 68 Ca -0.01 -0.01 -0.05 0.00 0.07 0.00 0.00 59.36 59.36 2knj h GLU 68 Cb 0.16 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.38 2knj h GLU 68 CO 0.02 0.30 0.21 0.37 0.07 0.00 0.00 179.01 179.98 2knj h GLN 69 N 0.03 0.99 0.00 1.06 -0.00 -1.82 -1.89 115.11 113.47 2knj h GLN 69 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 58.65 58.44 2knj h GLN 69 Cb 0.50 -0.15 0.00 0.00 0.00 0.00 0.00 27.48 27.83 2knj h GLN 69 CO 0.04 0.86 -0.34 0.97 0.00 0.00 0.00 178.83 180.36 2knj h ILE 70 N 0.92 0.00 -0.34 2.39 6.09 -0.90 -1.86 117.51 123.81 2knj h ILE 70 Ca 0.21 -0.53 0.01 0.00 -1.37 0.00 0.00 64.86 63.18 2knj h ILE 70 Cb 0.28 1.30 -0.02 0.00 0.47 0.00 0.00 36.82 38.85 2knj h ILE 70 CO -0.01 0.00 0.21 0.11 -3.07 0.00 0.00 178.15 175.39 2knj h LYS 71 N 0.00 0.42 0.47 2.19 1.79 -0.81 0.20 116.57 120.83 2knj h LYS 71 Ca 0.00 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 2knj h LYS 71 Cb 0.76 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.30 2knj h LYS 71 CO 0.00 0.28 -0.46 0.93 -1.08 0.00 0.00 179.45 179.12 2knj h GLU 72 N 0.44 -0.89 0.00 3.15 5.08 -0.92 -2.35 114.58 119.08 2knj h GLU 72 Ca 0.13 0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2knj h GLU 72 Cb -0.03 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 2knj h GLU 72 CO -0.04 -0.59 -0.03 0.82 -1.00 0.00 0.00 179.01 178.16 2knj h ILE 73 N -0.92 0.17 0.21 3.13 2.04 -1.29 0.62 117.51 121.47 2knj h ILE 73 Ca -0.06 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 2knj h ILE 73 Cb 0.79 1.24 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2knj h ILE 73 CO -0.05 0.03 -0.10 -0.74 0.00 0.00 0.00 178.15 177.29 2knj h HIS 74 N 0.00 -0.27 -0.36 1.37 2.76 -0.28 0.56 115.15 118.93 2knj h HIS 74 Ca -0.00 -0.01 -0.03 0.00 -2.20 0.00 0.00 60.37 58.13 2knj h HIS 74 Cb 0.24 0.09 -0.02 0.00 1.55 0.00 0.00 27.41 29.27 2knj h HIS 74 CO 0.00 0.12 0.08 0.22 -1.30 0.00 0.00 177.93 177.04 2knj h ASP 75 N -0.75 0.49 -0.61 3.26 3.58 -1.09 -1.39 116.42 119.91 2knj h ASP 75 Ca -0.03 -0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.29 2knj h ASP 75 Cb 0.50 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 2knj h ASP 75 CO 0.05 0.50 0.13 0.00 -2.88 0.00 0.00 179.24 177.03 2knj h ALA 76 N 1.57 0.80 0.00 -0.78 0.00 0.14 0.38 119.26 121.37 2knj h ALA 76 Ca 0.12 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2knj h ALA 76 Cb 0.22 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2knj h ALA 76 CO -0.00 0.53 -0.68 0.00 0.00 0.00 0.00 179.25 179.10 2knj n ALA 77 N -2.43 3.38 -0.12 0.00 0.00 0.20 -0.20 120.51 121.34 2knj n ALA 77 Ca 0.03 -0.34 -0.25 0.00 0.00 0.00 0.00 53.44 52.87 2knj n ALA 77 Cb 0.26 -1.09 -0.11 0.00 0.00 0.00 0.00 19.45 18.51 2knj n ALA 77 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2knj n THR 78 N -1.79 1.55 0.64 0.00 5.66 -0.55 -3.67 114.28 116.12 2knj n THR 78 Ca 0.04 -0.29 0.11 0.00 -3.05 0.00 0.00 64.05 60.86 2knj n THR 78 Cb 0.39 -1.89 -0.10 0.00 -1.55 0.00 0.00 70.33 67.18 2knj n THR 78 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2knj n ALA 79 N -3.77 3.94 -2.75 1.79 0.00 0.13 -4.88 120.51 114.97 2knj n ALA 79 Ca -0.44 -0.54 -0.07 0.00 0.00 0.00 0.00 53.44 52.39 2knj n ALA 79 Cb 0.83 -0.81 0.02 0.00 0.00 0.00 0.00 19.45 19.49 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 -3.05 3.47 -0.84 0.00 1.01 -1.12 -4.91 116.67 111.23 2knj s ASP 81 Ca 0.16 -1.94 -0.25 0.00 0.71 0.00 0.00 52.55 51.23 2knj s ASP 81 Cb -0.07 -0.62 0.01 0.00 1.01 0.00 0.00 42.92 43.26 2knj s ASP 81 CO 0.20 -0.36 1.59 -2.84 0.21 0.00 0.00 175.17 173.97 2knj s PRO 82 N 1.30 3.08 -0.75 8.23 0.02 -1.26 -1.46 135.00 144.15 2knj s PRO 82 Ca 0.14 -0.39 -0.05 0.00 0.02 0.00 0.00 61.00 60.73 2knj s PRO 82 Cb -0.20 -4.80 0.01 0.00 0.02 0.00 0.00 34.50 29.52 2knj s PRO 82 CO -0.14 -2.55 0.65 -1.91 -0.33 0.00 0.00 177.00 172.72 2knj n GLU 83 N 9.07 -4.39 -0.01 5.54 4.07 -1.23 -4.92 120.64 128.77 2knj n GLU 83 Ca 0.24 0.46 -0.01 0.00 -0.06 0.00 0.00 57.16 57.80 2knj n GLU 83 Cb 0.50 -4.38 -0.01 0.00 -0.06 0.00 0.00 31.44 27.48 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 -3.80 1.97 -0.00 4.31 0.00 -1.23 -4.78 120.51 116.98 2knj n ALA 84 Ca -0.01 -0.09 0.02 0.00 0.00 0.00 0.00 53.44 53.37 2knj n ALA 84 Cb 0.54 0.27 -0.04 0.00 0.00 0.00 0.00 19.45 20.22 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 -2.15 0.00 -2.78 0.00 -0.00 -1.26 -5.03 115.22 104.00 2knj n HIS 85 Ca -0.02 0.00 -0.19 0.00 -0.00 0.00 0.00 57.72 57.51 2knj n HIS 85 Cb 0.54 -0.11 0.02 0.00 -0.00 0.00 0.00 29.99 30.44 2knj n HIS 85 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2knj n HIS 86 N -1.68 -1.50 0.00 1.57 -0.00 -1.26 -2.49 115.22 109.85 2knj n HIS 86 Ca -0.01 0.35 0.00 0.00 0.46 0.00 0.00 57.72 58.52 2knj n HIS 86 Cb 0.14 -3.92 0.00 0.00 -0.12 0.00 0.00 29.99 26.09 2knj n HIS 86 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 2knj n GLU 87 N -3.38 0.00 -3.31 1.57 1.02 -1.26 -3.67 120.64 111.61 2knj n GLU 87 Ca -0.12 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.86 2knj n GLU 87 Cb 0.62 -1.62 0.08 0.00 -0.02 0.00 0.00 31.44 30.50 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 -1.38 -2.33 -1.68 -0.32 -0.00 -1.04 -4.87 115.22 103.61 2knj n HIS 88 Ca 0.00 0.88 -0.47 0.00 -0.00 0.00 0.00 57.72 58.13 2knj n HIS 88 Cb 0.00 -4.51 -0.05 0.00 -0.00 0.00 0.00 29.99 25.44 2knj n HIS 88 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.34 172.87 2knj n ASP 89 N -3.17 3.31 0.00 0.26 2.03 -1.24 -5.25 116.55 112.50 2knj n ASP 89 Ca -0.16 1.01 0.00 0.00 0.52 0.00 0.00 54.79 56.16 2knj n ASP 89 Cb 0.64 -1.39 0.00 0.00 -0.72 0.00 0.00 41.12 39.65 2knj n ASP 89 CO 0.00 0.00 0.00 1.57 -1.92 0.00 0.00 177.20 176.85