#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 -3.12 -2.97 4.41 -0.00 -1.26 -4.82 115.22 107.45 2knj n HIS 2 Ca 0.00 1.88 -0.12 0.00 0.46 0.00 0.00 57.72 59.94 2knj n HIS 2 Cb 0.00 -3.06 0.06 0.00 -0.12 0.00 0.00 29.99 26.87 2knj n HIS 2 CO 0.00 0.00 0.00 0.94 0.46 0.00 0.00 176.34 177.74 2knj n GLN 3 N 1.18 -3.87 -0.03 1.57 -0.06 -1.26 -4.97 117.38 109.94 2knj n GLN 3 Ca 0.00 0.63 -0.06 0.00 -2.00 0.00 0.00 57.00 55.57 2knj n GLN 3 Cb 0.00 -4.91 -0.02 0.00 -4.06 0.00 0.00 30.24 21.25 2knj n GLN 3 CO 0.00 0.00 0.00 0.39 -0.20 0.00 0.00 177.06 177.25 2knj n GLU 4 N -3.15 0.14 -0.75 3.69 -0.58 -1.26 -4.99 120.64 113.74 2knj n GLU 4 Ca -0.16 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 2knj n GLU 4 Cb 0.61 -0.81 0.00 0.00 -0.57 0.00 0.00 31.44 30.67 2knj n GLU 4 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2knj n LEU 5 N -3.16 0.55 -3.39 -4.62 0.00 -1.12 -2.85 117.00 102.40 2knj n LEU 5 Ca -0.12 0.00 -0.18 0.00 0.00 0.00 0.00 56.01 55.71 2knj n LEU 5 Cb 0.60 -0.91 0.07 0.00 0.00 0.00 0.00 43.42 43.18 2knj n LEU 5 CO 0.02 -0.30 0.04 0.00 0.00 0.00 0.00 177.39 177.14 2knj n THR 7 N -3.73 1.96 0.69 0.00 -1.04 -1.13 -4.31 114.28 106.72 2knj n THR 7 Ca -0.17 -1.35 0.00 0.00 -2.04 0.00 0.00 64.05 60.49 2knj n THR 7 Cb 0.64 0.04 0.00 0.00 -1.82 0.00 0.00 70.33 69.19 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 0.63 1.00 0.00 -2.82 5.02 -1.26 -4.95 118.16 115.78 2knj n LYS 8 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 2knj n LYS 8 Cb 0.88 -1.00 0.00 0.00 -0.02 0.00 0.00 35.03 34.88 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 0.70 2.23 0.21 0.72 0.00 -1.26 -2.00 105.19 105.79 2knj n GLY 9 Ca 0.00 -0.28 0.06 0.00 0.00 0.00 0.00 46.02 45.80 2knj n GLY 9 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2knj h ASP 10 N 4.10 0.00 0.54 1.61 3.58 -1.94 -2.02 116.42 122.28 2knj h ASP 10 Ca 0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 2knj h ASP 10 Cb 0.00 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2knj h ASP 10 CO 0.00 0.29 -0.30 0.44 -2.88 0.00 0.00 179.24 176.79 2knj h ASP 11 N 0.00 -0.75 -0.10 2.28 3.32 -1.89 -1.36 116.42 117.91 2knj h ASP 11 Ca -0.00 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2knj h ASP 11 Cb 0.60 0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 2knj h ASP 11 CO 0.04 -0.48 0.03 0.00 -1.72 0.00 0.00 179.24 177.10 2knj h ALA 12 N -1.51 0.13 -0.67 3.45 0.00 -1.36 -1.90 119.26 117.41 2knj h ALA 12 Ca -0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2knj h ALA 12 Cb 0.62 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 2knj h ALA 12 CO 0.09 -0.25 0.36 1.25 0.00 0.00 0.00 179.25 180.70 2knj h LEU 13 N -0.03 0.83 -0.02 0.00 5.85 -1.41 0.29 115.31 120.82 2knj h LEU 13 Ca 0.03 -0.07 -0.26 0.00 0.84 0.00 0.00 57.88 58.42 2knj h LEU 13 Cb 0.23 -0.21 0.02 0.00 0.37 0.00 0.00 40.66 41.07 2knj h LEU 13 CO -0.00 0.67 -1.05 0.58 -0.34 0.00 0.00 178.44 178.30 2knj h VAL 14 N 0.94 1.31 0.02 1.05 2.07 -1.24 -1.88 116.25 118.52 2knj h VAL 14 Ca 0.24 -2.34 -0.00 0.00 0.82 0.00 0.00 66.70 65.42 2knj h VAL 14 Cb 0.03 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.24 2knj h VAL 14 CO -0.04 0.71 -0.01 0.74 0.02 0.00 0.00 177.57 179.00 2knj h THR 15 N 0.34 1.01 -0.15 2.57 2.02 -0.46 -0.26 112.91 117.99 2knj h THR 15 Ca -0.13 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2knj h THR 15 Cb 1.70 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 69.20 2knj h THR 15 CO 0.20 0.03 0.07 1.05 0.37 0.00 0.00 175.52 177.24 2knj h GLU 16 N -0.08 0.21 -1.01 6.66 4.11 -0.54 -1.64 114.58 122.29 2knj h GLU 16 Ca -0.00 -0.03 0.03 0.00 0.07 0.00 0.00 59.36 59.43 2knj h GLU 16 Cb 0.08 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.23 2knj h GLU 16 CO 0.01 0.25 0.66 1.37 0.07 0.00 0.00 179.01 181.37 2knj h LEU 17 N 0.11 1.11 -1.03 3.06 8.10 -1.21 0.23 115.31 125.69 2knj h LEU 17 Ca 0.05 -0.01 -0.09 0.00 0.11 0.00 0.00 57.88 57.93 2knj h LEU 17 Cb 0.11 -0.26 -0.01 0.00 -0.44 0.00 0.00 40.66 40.06 2knj h LEU 17 CO -0.01 0.77 -0.31 -0.08 -4.11 0.00 0.00 178.44 174.70 2knj h GLU 18 N 1.29 0.31 -0.01 0.17 4.81 -0.79 0.21 114.58 120.57 2knj h GLU 18 Ca 0.40 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2knj h GLU 18 Cb -0.03 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.33 2knj h GLU 18 CO -0.12 0.59 -0.22 0.00 -0.73 0.00 0.00 179.01 178.54 2knj n ILE 20 N -0.50 1.53 0.91 0.00 5.41 0.66 -4.30 119.36 123.08 2knj n ILE 20 Ca 0.13 -0.81 0.12 0.00 1.00 0.00 0.00 62.75 63.19 2knj n ILE 20 Cb 0.35 -0.85 0.31 0.00 -0.71 0.00 0.00 39.64 38.75 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 -2.95 0.06 -0.05 0.38 1.74 0.00 -3.92 116.66 111.94 2knj n ARG 21 Ca -0.24 0.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.86 2knj n ARG 21 Cb 1.09 -1.54 0.00 0.00 -1.02 0.00 0.00 32.46 30.99 2knj n ARG 21 CO 0.00 0.00 0.00 1.47 -1.52 0.00 0.00 177.63 177.58 2knj n LEU 22 N -1.63 2.86 0.00 0.55 -0.00 -1.21 -4.72 117.00 112.85 2knj n LEU 22 Ca 0.05 -1.41 0.00 0.00 -0.00 0.00 0.00 56.01 54.66 2knj n LEU 22 Cb 0.36 -0.50 0.00 0.00 -0.00 0.00 0.00 43.42 43.28 2knj n LEU 22 CO 0.34 0.49 0.00 -1.14 -0.00 0.00 0.00 177.39 177.07 2knj n ARG 23 N 0.66 0.00 0.00 1.47 0.63 -1.25 -4.73 116.66 113.44 2knj n ARG 23 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2knj n ARG 23 Cb 0.44 -2.26 0.00 0.00 0.45 0.00 0.00 32.46 31.09 2knj n ARG 23 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2knj n ILE 24 N -0.88 0.00 0.00 5.15 5.41 -1.26 -4.60 119.36 123.18 2knj n ILE 24 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2knj n ILE 24 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 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 6.55 0.00 -3.90 4.38 2.88 -1.26 -4.76 113.62 117.52 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 0.73 0.00 -1.46 -0.02 -1.26 -4.80 135.00 128.19 2knj n PRO 26 Ca 0.00 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.55 2knj n PRO 26 Cb 0.00 0.00 0.42 0.00 -0.02 0.00 0.00 33.50 33.90 2knj n PRO 26 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2knj n GLU 27 N -0.19 0.42 -0.21 -0.52 4.07 -1.26 -4.09 120.64 118.86 2knj n GLU 27 Ca 0.00 0.02 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 2knj n GLU 27 Cb 0.00 -1.50 0.03 0.00 -0.06 0.00 0.00 31.44 29.91 2knj n GLU 27 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 2knj n THR 28 N -1.04 -0.29 0.14 6.31 5.66 -1.26 -1.04 114.28 122.76 2knj n THR 28 Ca 0.10 1.31 -0.14 0.00 -3.05 0.00 0.00 64.05 62.27 2knj n THR 28 Cb 0.06 -1.74 -0.08 0.00 -1.55 0.00 0.00 70.33 67.02 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 -0.29 -0.08 1.09 -0.26 -1.81 -0.60 115.58 113.62 2knj h ASN 29 Ca 0.21 -0.13 -0.01 0.00 -0.56 0.00 0.00 56.30 55.81 2knj h ASN 29 Cb 0.35 0.07 -0.00 0.00 -1.06 0.00 0.00 38.32 37.68 2knj h ASN 29 CO -0.56 -0.04 0.01 0.00 -1.06 0.00 0.00 177.43 175.78 2knj h ALA 30 N 0.15 0.11 0.25 -0.83 0.00 -1.64 -0.87 119.26 116.43 2knj h ALA 30 Ca -0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2knj h ALA 30 Cb 0.40 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2knj h ALA 30 CO 0.06 -0.24 -0.12 0.00 0.00 0.00 0.00 179.25 178.95 2knj h ALA 31 N 0.77 -0.33 0.00 0.00 0.00 -1.06 -2.41 119.26 116.23 2knj h ALA 31 Ca 0.02 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2knj h ALA 31 Cb 0.29 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2knj h ALA 31 CO 0.00 -0.40 -0.02 0.74 0.00 0.00 0.00 179.25 179.58 2knj h PHE 32 N -0.91 0.00 0.89 0.00 0.04 -1.23 0.17 116.94 115.90 2knj h PHE 32 Ca -0.03 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.69 2knj h PHE 32 Cb 0.50 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.66 2knj h PHE 32 CO 0.05 0.02 -0.45 0.22 -0.60 0.00 0.00 178.31 177.56 2knj h ASP 33 N 0.00 -1.07 0.90 2.17 1.82 -0.79 0.51 116.42 119.96 2knj h ASP 33 Ca -0.00 0.04 -0.05 0.00 -0.39 0.00 0.00 57.03 56.63 2knj h ASP 33 Cb 0.08 0.28 -0.01 0.00 0.68 0.00 0.00 39.33 40.37 2knj h ASP 33 CO 0.00 -0.74 -0.25 -0.55 -1.61 0.00 0.00 179.24 176.09 2knj h ASN 34 N -1.22 0.00 0.62 2.28 -1.07 -1.22 -0.01 115.58 114.97 2knj h ASN 34 Ca -0.12 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.22 2knj h ASN 34 Cb 0.94 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 37.20 2knj h ASN 34 CO 0.19 0.25 -0.30 0.00 0.07 0.00 0.00 177.43 177.64 2knj h ALA 35 N 1.75 -0.84 0.00 4.14 0.00 -0.47 -1.40 119.26 122.44 2knj h ALA 35 Ca -0.00 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2knj h ALA 35 Cb 0.77 0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2knj h ALA 35 CO 0.03 -0.78 0.00 0.28 0.00 0.00 0.00 179.25 178.78 2knj n VAL 36 N -5.33 0.89 -0.01 0.00 0.31 0.18 -0.13 118.33 114.24 2knj n VAL 36 Ca -0.11 0.32 -0.07 0.00 -0.01 0.00 0.00 64.34 64.47 2knj n VAL 36 Cb 0.34 -1.25 0.11 0.00 -0.91 0.00 0.00 33.84 32.12 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 0.56 0.30 5.55 4.15 -0.83 0.29 115.11 125.13 2knj h GLN 37 Ca 0.00 -0.28 -0.01 0.00 0.77 0.00 0.00 58.65 59.12 2knj h GLN 37 Cb 0.29 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.99 2knj h GLN 37 CO 0.00 0.87 -0.14 1.96 -1.93 0.00 0.00 178.83 179.58 2knj h GLN 38 N 0.46 -0.39 0.00 1.69 4.20 0.62 -3.29 115.11 118.40 2knj h GLN 38 Ca 0.04 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.76 2knj h GLN 38 Cb 0.89 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.76 2knj h GLN 38 CO 0.08 -0.26 -0.06 1.37 -0.67 0.00 0.00 178.83 179.29 2knj h LEU 39 N -0.58 0.00 -1.02 1.46 -0.00 -1.51 -3.46 115.31 110.20 2knj h LEU 39 Ca -0.04 0.00 -0.35 0.00 -0.00 0.00 0.00 57.88 57.49 2knj h LEU 39 Cb 0.31 0.00 0.13 0.00 -0.00 0.00 0.00 40.66 41.10 2knj h LEU 39 CO 0.07 0.06 -0.62 -3.20 -0.00 0.00 0.00 178.44 174.75 2knj n ASN 40 N -3.93 -5.20 0.18 0.17 2.85 0.10 -4.88 115.26 104.55 2knj n ASN 40 Ca -0.03 -0.50 0.13 0.00 -0.11 0.00 0.00 54.58 54.08 2knj n ASN 40 Cb 0.15 -4.57 0.35 0.00 1.24 0.00 0.00 39.78 36.96 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 -2.70 0.00 -4.74 0.00 7.99 -1.25 -4.79 117.00 111.51 2knj n LEU 42 Ca 0.04 0.00 -0.40 0.00 -0.01 0.00 0.00 56.01 55.64 2knj n LEU 42 Cb 0.44 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.70 2knj n LEU 42 CO 0.30 0.00 0.53 0.21 -1.51 0.00 0.00 177.39 176.93 2knj s ASN 43 N 0.00 7.31 0.08 -1.43 2.47 -1.26 -4.96 114.94 117.15 2knj s ASN 43 Ca 0.00 1.56 0.24 0.00 0.42 0.00 0.00 52.86 55.08 2knj s ASN 43 Cb 0.00 -2.51 0.97 0.00 -1.45 0.00 0.00 41.25 38.26 2knj s ASN 43 CO 0.00 -0.02 1.76 0.54 -3.72 0.00 0.00 177.10 175.67 2knj n ARG 44 N 2.83 0.09 -0.10 0.43 3.00 -1.26 -3.03 116.66 118.61 2knj n ARG 44 Ca -0.01 0.16 -0.12 0.00 -0.01 0.00 0.00 57.85 57.87 2knj n ARG 44 Cb 0.50 -1.62 -0.04 0.00 0.00 0.00 0.00 32.46 31.30 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 2.68 0.41 -0.21 7.54 0.00 -1.92 0.40 119.26 128.16 2knj h ALA 45 Ca 0.00 -0.31 0.04 0.00 0.00 0.00 0.00 54.91 54.64 2knj h ALA 45 Cb 0.48 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2knj h ALA 45 CO 0.00 0.27 -0.07 0.00 0.00 0.00 0.00 179.25 179.45 2knj h ALA 47 N 1.16 -0.91 -0.29 0.00 0.00 -1.57 -1.42 119.26 116.23 2knj h ALA 47 Ca 0.10 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 2knj h ALA 47 Cb 0.19 0.91 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 2knj h ALA 47 CO -0.23 -1.05 -0.08 1.88 0.00 0.00 0.00 179.25 179.77 2knj h TYR 48 N -0.61 0.50 -0.08 0.00 0.05 -0.66 -1.91 116.97 114.26 2knj h TYR 48 Ca 0.01 -0.06 -0.10 0.00 0.05 0.00 0.00 58.73 58.63 2knj h TYR 48 Cb 0.65 -0.14 -0.01 0.00 1.01 0.00 0.00 36.73 38.24 2knj h TYR 48 CO -0.50 0.55 -0.39 -0.09 -1.05 0.00 0.00 178.16 176.68 2knj h ARG 49 N 0.45 0.17 0.00 4.88 2.43 0.05 0.74 114.38 123.11 2knj h ARG 49 Ca 0.09 -0.08 -0.20 0.00 -0.81 0.00 0.00 59.98 58.99 2knj h ARG 49 Cb 0.41 -0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 2knj h ARG 49 CO 0.02 0.54 -0.94 -0.22 -1.51 0.00 0.00 179.97 177.87 2knj h LYS 50 N 0.15 0.02 -0.37 0.20 1.63 -0.79 0.11 116.57 117.51 2knj h LYS 50 Ca 0.01 -0.03 -0.13 0.00 -0.85 0.00 0.00 60.65 59.66 2knj h LYS 50 Cb 0.76 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.39 2knj h LYS 50 CO 0.06 0.94 -0.28 1.98 -3.45 0.00 0.00 179.45 178.70 2knj h MET 51 N 0.01 0.78 0.00 1.90 4.05 -0.89 0.41 114.93 121.19 2knj h MET 51 Ca -0.02 -0.34 -0.05 0.00 -0.28 0.00 0.00 59.70 59.01 2knj h MET 51 Cb 1.65 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.42 2knj h MET 51 CO 0.12 0.97 -0.22 0.00 0.23 0.00 0.00 176.91 178.01 2knj h ALA 53 N 1.78 0.00 0.00 0.00 0.00 -0.44 -2.97 119.26 117.63 2knj h ALA 53 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2knj h ALA 53 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.21 2knj h ALA 53 CO 0.03 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.53 2knj n THR 54 N -2.84 0.35 0.00 0.00 -2.24 0.11 -4.74 114.28 104.91 2knj n THR 54 Ca -0.00 0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.89 2knj n THR 54 Cb 0.00 -0.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.43 2knj n THR 54 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2knj n ASN 55 N -3.50 0.00 0.00 3.42 6.94 0.91 -4.77 115.26 118.26 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 0.33 0.53 5.15 -1.26 -4.35 115.26 115.66 2knj n ASN 56 Ca 0.00 0.00 0.20 0.00 -0.60 0.00 0.00 54.58 54.18 2knj n ASN 56 Cb 0.00 0.00 1.05 0.00 -0.53 0.00 0.00 39.78 40.30 2knj n ASN 56 CO 0.00 0.00 0.00 0.25 1.40 0.00 0.00 177.26 178.91 2knj h LEU 57 N 0.00 0.00 -0.50 1.20 5.85 -1.89 -2.93 115.31 117.04 2knj h LEU 57 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2knj h LEU 57 Cb 0.00 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.03 2knj h LEU 57 CO 0.00 0.00 0.00 1.05 -0.34 0.00 0.00 178.44 179.15 2knj h GLU 58 N 0.00 0.00 0.02 1.25 -0.00 -1.91 -3.23 114.58 110.71 2knj h GLU 58 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.37 2knj h GLU 58 Cb 0.28 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.03 2knj h GLU 58 CO -0.00 0.00 -0.08 1.96 -0.00 0.00 0.00 179.01 180.89 2knj h GLN 59 N 0.00 -0.11 0.07 1.06 4.20 -1.88 -1.46 115.11 117.00 2knj h GLN 59 Ca 0.00 0.01 -0.24 0.00 0.06 0.00 0.00 58.65 58.48 2knj h GLN 59 Cb 0.59 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 2knj h GLN 59 CO 0.00 -0.07 -1.25 0.00 -0.67 0.00 0.00 178.83 176.84 2knj h ALA 60 N -1.41 0.20 -0.82 3.87 0.00 -1.85 -2.61 119.26 116.64 2knj h ALA 60 Ca -0.00 -1.07 0.19 0.00 0.00 0.00 0.00 54.91 54.03 2knj h ALA 60 Cb 0.11 0.51 -0.15 0.00 0.00 0.00 0.00 17.79 18.26 2knj h ALA 60 CO -0.04 0.73 -0.01 0.00 0.00 0.00 0.00 179.25 179.93 2knj h MET 61 N -0.54 0.08 -0.00 0.00 -0.00 -1.54 0.39 114.93 113.32 2knj h MET 61 Ca -0.29 -0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.24 2knj h MET 61 Cb 1.57 -0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 33.13 2knj h MET 61 CO -0.02 0.05 -0.79 1.03 -0.00 0.00 0.00 176.91 177.18 2knj h SER 62 N 0.08 0.06 -0.56 -0.10 0.87 -1.33 0.97 113.55 113.54 2knj h SER 62 Ca 0.45 -0.05 -0.02 0.00 -1.23 0.00 0.00 61.79 60.95 2knj h SER 62 Cb 0.82 -0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.74 2knj h SER 62 CO -0.74 0.83 0.28 0.58 -0.53 0.00 0.00 176.83 177.25 2knj h VAL 63 N 0.03 1.20 0.00 2.23 2.07 -0.72 -3.37 116.25 117.68 2knj h VAL 63 Ca -0.01 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.95 2knj h VAL 63 Cb 1.40 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2knj h VAL 63 CO 0.11 0.23 0.00 -1.22 0.02 0.00 0.00 177.57 176.71 2knj n TYR 64 N -4.36 0.00 -1.86 1.57 4.02 0.12 -4.95 117.16 111.71 2knj n TYR 64 Ca 0.05 0.00 -0.30 0.00 -0.01 0.00 0.00 57.90 57.64 2knj n TYR 64 Cb 0.13 -0.30 0.04 0.00 -0.02 0.00 0.00 39.34 39.19 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 -0.62 3.40 0.70 -0.72 -0.12 0.29 -5.08 117.98 115.83 2knj s PHE 65 Ca 0.00 1.14 -0.02 0.00 -0.05 0.00 0.00 56.93 58.00 2knj s PHE 65 Cb 0.00 -2.96 0.10 0.00 -0.63 0.00 0.00 43.02 39.54 2knj s PHE 65 CO 0.00 -1.05 0.97 0.95 -0.05 0.00 0.00 175.22 176.04 2knj s THR 66 N -3.29 2.26 0.18 -4.49 -4.23 -1.26 -4.53 115.64 100.27 2knj s THR 66 Ca 0.57 -0.53 -0.08 0.00 -1.18 0.00 0.00 61.69 60.47 2knj s THR 66 Cb -0.11 -2.73 0.02 0.00 1.34 0.00 0.00 72.50 71.02 2knj s THR 66 CO 0.53 0.00 1.58 -1.13 -0.54 0.00 0.00 174.62 175.06 2knj h ASN 67 N -0.49 0.97 -0.00 3.99 -1.24 -1.98 -2.05 115.58 114.78 2knj h ASN 67 Ca -0.39 -0.35 -0.06 0.00 0.71 0.00 0.00 56.30 56.21 2knj h ASN 67 Cb 1.28 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 40.05 2knj h ASN 67 CO 0.45 1.13 -0.14 1.05 -1.29 0.00 0.00 177.43 178.64 2knj h GLU 68 N 0.83 0.29 -0.56 6.67 -0.00 -1.99 0.02 114.58 119.84 2knj h GLU 68 Ca 0.11 -0.07 -0.00 0.00 -0.00 0.00 0.00 59.36 59.40 2knj h GLU 68 Cb 0.76 -0.04 -0.03 0.00 -0.00 0.00 0.00 28.75 29.44 2knj h GLU 68 CO 0.06 0.44 0.35 0.37 -0.00 0.00 0.00 179.01 180.23 2knj h GLN 69 N 0.28 0.76 0.00 1.06 -0.00 -1.77 -1.82 115.11 113.60 2knj h GLN 69 Ca 0.05 -0.06 0.00 0.00 -0.00 0.00 0.00 58.65 58.64 2knj h GLN 69 Cb 0.41 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 27.73 2knj h GLN 69 CO 0.02 0.53 -0.13 1.51 0.00 0.00 0.00 178.83 180.76 2knj n ILE 70 N -4.66 0.26 -0.12 2.39 0.13 -0.86 -1.67 119.36 114.83 2knj n ILE 70 Ca 0.03 -0.14 -0.10 0.00 -1.10 0.00 0.00 62.75 61.45 2knj n ILE 70 Cb 0.04 -0.40 -0.02 0.00 -0.84 0.00 0.00 39.64 38.42 2knj n ILE 70 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 2knj h LYS 71 N 0.00 0.58 -0.01 9.51 1.63 -0.43 0.14 116.57 127.99 2knj h LYS 71 Ca 0.00 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.65 2knj h LYS 71 Cb 0.62 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.17 2knj h LYS 71 CO 0.00 0.64 0.00 0.93 -3.45 0.00 0.00 179.45 177.57 2knj h GLU 72 N 0.42 0.01 0.00 1.90 5.08 -0.78 -2.00 114.58 119.20 2knj h GLU 72 Ca 0.11 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2knj h GLU 72 Cb 0.33 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2knj h GLU 72 CO 0.00 0.01 0.00 -0.89 -1.00 0.00 0.00 179.01 177.13 2knj n ILE 73 N -5.08 0.75 0.23 3.13 5.41 -0.67 -0.18 119.36 122.94 2knj n ILE 73 Ca -0.07 0.10 -0.14 0.00 1.00 0.00 0.00 62.75 63.63 2knj n ILE 73 Cb 0.03 -0.97 -0.08 0.00 -0.71 0.00 0.00 39.64 37.91 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 -0.55 -0.77 1.39 2.76 0.01 0.71 115.15 118.70 2knj h HIS 74 Ca 0.00 -0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.14 2knj h HIS 74 Cb 0.45 0.18 -0.04 0.00 1.55 0.00 0.00 27.41 29.56 2knj h HIS 74 CO 0.00 -0.23 0.41 0.22 -1.30 0.00 0.00 177.93 177.03 2knj h ASP 75 N -0.86 0.97 -0.06 3.26 1.82 -1.10 -1.56 116.42 118.89 2knj h ASP 75 Ca -0.06 -0.11 -0.01 0.00 -0.39 0.00 0.00 57.03 56.47 2knj h ASP 75 Cb 0.56 -0.25 -0.00 0.00 0.68 0.00 0.00 39.33 40.32 2knj h ASP 75 CO 0.10 0.80 0.01 0.00 -1.61 0.00 0.00 179.24 178.54 2knj h ALA 76 N 1.21 0.08 0.00 -0.78 0.00 -0.25 0.34 119.26 119.86 2knj h ALA 76 Ca 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2knj h ALA 76 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2knj h ALA 76 CO -0.04 -0.27 -0.26 0.00 0.00 0.00 0.00 179.25 178.68 2knj h ALA 77 N 0.77 0.83 0.00 0.00 0.00 0.48 0.28 119.26 121.62 2knj h ALA 77 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 2knj h ALA 77 Cb 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2knj h ALA 77 CO 0.00 0.00 -1.42 2.41 0.00 0.00 0.00 179.25 180.25 2knj n THR 78 N -2.25 1.50 1.12 0.00 -1.04 -0.59 -4.26 114.28 108.76 2knj n THR 78 Ca 0.05 -0.05 0.12 0.00 -2.04 0.00 0.00 64.05 62.13 2knj n THR 78 Cb 0.44 -2.12 0.17 0.00 -1.82 0.00 0.00 70.33 67.01 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 -3.83 3.03 -3.65 2.41 0.00 0.12 -4.78 120.51 113.81 2knj n ALA 79 Ca -0.31 -0.58 -0.21 0.00 0.00 0.00 0.00 53.44 52.34 2knj n ALA 79 Cb 0.63 -0.92 0.05 0.00 0.00 0.00 0.00 19.45 19.21 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 -4.25 2.35 -1.48 0.00 -1.08 -1.09 -4.93 116.67 106.18 2knj s ASP 81 Ca 0.07 -3.00 -0.12 0.00 -0.52 0.00 0.00 52.55 48.98 2knj s ASP 81 Cb -0.04 -0.65 0.02 0.00 -1.46 0.00 0.00 42.92 40.79 2knj s ASP 81 CO 0.79 -0.19 2.40 -2.65 0.52 0.00 0.00 175.17 176.04 2knj n PRO 82 N 2.97 3.20 -3.21 4.34 -0.02 -1.26 -2.49 135.00 138.52 2knj n PRO 82 Ca 0.24 -2.60 -0.15 0.00 -2.02 0.00 0.00 63.50 58.96 2knj n PRO 82 Cb 0.43 -3.11 0.07 0.00 -0.02 0.00 0.00 33.50 30.87 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 5.10 -5.64 0.07 -0.52 2.13 -1.25 -4.86 120.64 115.67 2knj n GLU 83 Ca 0.58 0.69 -0.07 0.00 0.66 0.00 0.00 57.16 59.02 2knj n GLU 83 Cb 0.34 -5.25 0.08 0.00 0.27 0.00 0.00 31.44 26.88 2knj n GLU 83 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2knj h ALA 84 N 0.75 0.74 0.00 4.31 0.00 -1.94 -3.42 119.26 119.71 2knj h ALA 84 Ca -0.48 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 53.86 2knj h ALA 84 Cb 1.28 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2knj h ALA 84 CO 0.42 0.75 -0.01 0.72 0.00 0.00 0.00 179.25 181.13 2knj n HIS 85 N -3.86 -0.05 -4.15 0.00 8.25 -1.26 -5.17 115.22 108.98 2knj n HIS 85 Ca -0.03 -0.05 -0.16 0.00 -0.26 0.00 0.00 57.72 57.23 2knj n HIS 85 Cb 0.65 0.52 -0.05 0.00 1.12 0.00 0.00 29.99 32.24 2knj n HIS 85 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2knj n HIS 86 N -0.04 -1.02 0.00 4.41 8.25 -1.26 -5.06 115.22 120.50 2knj n HIS 86 Ca -0.01 -2.36 0.00 0.00 -0.26 0.00 0.00 57.72 55.09 2knj n HIS 86 Cb 0.47 0.38 0.00 0.00 1.12 0.00 0.00 29.99 31.96 2knj n HIS 86 CO 0.00 0.00 0.00 -1.91 0.64 0.00 0.00 176.34 175.07 2knj n GLU 87 N -0.55 0.00 -3.65 -0.41 0.00 -1.26 -3.76 120.64 111.01 2knj n GLU 87 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 57.16 57.18 2knj n GLU 87 Cb 0.54 0.00 -0.07 0.00 0.00 0.00 0.00 31.44 31.92 2knj n GLU 87 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2knj s HIS 88 N 0.00 -0.34 0.21 4.31 2.46 -1.26 -4.89 115.29 115.77 2knj s HIS 88 Ca 0.00 0.73 -0.10 0.00 0.47 0.00 0.00 55.06 56.16 2knj s HIS 88 Cb 0.00 0.29 0.28 0.00 -0.13 0.00 0.00 32.58 33.02 2knj s HIS 88 CO 0.00 -0.17 1.72 0.22 -2.47 0.00 0.00 174.74 174.04 2knj h ASP 89 N 5.06 0.07 0.00 9.88 1.82 -1.96 -3.47 116.42 127.81 2knj h ASP 89 Ca -0.28 0.10 0.00 0.00 -0.39 0.00 0.00 57.03 56.46 2knj h ASP 89 Cb 1.18 0.12 0.00 0.00 0.68 0.00 0.00 39.33 41.31 2knj h ASP 89 CO 0.19 0.05 0.00 1.57 -1.61 0.00 0.00 179.24 179.44