#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knj n ALA 20 N 0.00 -1.53 -2.80 7.82 0.00 -1.26 -5.00 120.51 117.73 3knj n ALA 20 Ca 0.00 0.27 -0.35 0.00 0.00 0.00 0.00 53.44 53.36 3knj n ALA 20 Cb 0.00 -1.03 -0.09 0.00 0.00 0.00 0.00 19.45 18.33 3knj n ALA 20 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3knj s LYS 21 N -1.43 3.57 0.44 0.00 -0.14 -1.26 -4.92 119.74 116.00 3knj s LYS 21 Ca 0.00 -0.35 0.11 0.00 -1.36 0.00 0.00 55.97 54.38 3knj s LYS 21 Cb 0.00 -3.05 1.01 0.00 -1.68 0.00 0.00 37.83 34.10 3knj s LYS 21 CO 0.00 0.48 2.05 0.28 -0.76 0.00 0.00 175.35 177.40 3knj h VAL 22 N 4.54 1.01 -0.88 3.17 2.07 -1.19 -2.77 116.25 122.21 3knj h VAL 22 Ca -0.43 -0.13 0.16 0.00 0.82 0.00 0.00 66.70 67.12 3knj h VAL 22 Cb 1.19 0.59 -0.16 0.00 -1.52 0.00 0.00 31.29 31.39 3knj h VAL 22 CO 0.63 0.07 -0.27 0.50 0.02 0.00 0.00 177.57 178.52 3knj h LYS 23 N 0.39 -0.02 -1.82 1.57 1.63 -1.48 -2.10 116.57 114.74 3knj h LYS 23 Ca 0.16 0.00 -0.66 0.00 -0.85 0.00 0.00 60.65 59.30 3knj h LYS 23 Cb 0.15 0.00 -0.36 0.00 -0.60 0.00 0.00 32.23 31.42 3knj h LYS 23 CO -0.04 -0.01 -0.05 0.00 -3.45 0.00 0.00 179.45 175.90 3knj n ALA 24 N -3.42 5.53 -0.06 5.00 0.00 -1.05 -4.13 120.51 122.37 3knj n ALA 24 Ca 0.12 -4.34 0.00 0.00 0.00 0.00 0.00 53.44 49.22 3knj n ALA 24 Cb 0.43 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3knj n ALA 24 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3knj n THR 25 N -0.43 0.00 -4.08 0.00 -1.04 -0.79 -4.90 114.28 103.03 3knj n THR 25 Ca 0.43 -0.29 -0.30 0.00 -2.04 0.00 0.00 64.05 61.84 3knj n THR 25 Cb 0.47 1.06 -0.16 0.00 -1.82 0.00 0.00 70.33 69.87 3knj n THR 25 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3knj s LEU 26 N -1.00 1.73 0.00 -4.42 1.43 -1.23 -5.09 118.68 110.09 3knj s LEU 26 Ca 0.00 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 3knj s LEU 26 Cb 0.00 -1.20 0.00 0.00 0.03 0.00 0.00 46.19 45.02 3knj s LEU 26 CO 0.00 -0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.15 3knj n GLY 27 N 4.69 -1.31 2.99 -3.19 0.00 -1.26 -4.86 105.19 102.26 3knj n GLY 27 Ca -0.18 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.64 3knj n GLY 27 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3knj s GLU 28 N 0.00 1.00 -0.19 1.61 2.12 -1.26 -5.06 118.70 116.92 3knj s GLU 28 Ca 0.00 -0.29 -0.27 0.00 0.36 0.00 0.00 54.97 54.77 3knj s GLU 28 Cb 0.00 -0.93 0.07 0.00 0.26 0.00 0.00 34.13 33.53 3knj s GLU 28 CO 0.00 0.09 0.71 -0.59 -0.54 0.00 0.00 175.26 174.93 3knj s PHE 29 N 0.30 -0.74 0.21 5.30 -0.12 -1.26 -5.12 117.98 116.55 3knj s PHE 29 Ca -0.05 1.64 -0.30 0.00 -0.05 0.00 0.00 56.93 58.17 3knj s PHE 29 Cb -0.10 0.32 -0.09 0.00 -0.63 0.00 0.00 43.02 42.53 3knj s PHE 29 CO 0.01 -0.46 1.26 0.34 -0.05 0.00 0.00 175.22 176.32 3knj s ASP 30 N -0.17 6.98 -0.23 1.98 -1.08 -1.26 -4.91 116.67 117.98 3knj s ASP 30 Ca -0.04 2.36 0.10 0.00 -0.52 0.00 0.00 52.55 54.45 3knj s ASP 30 Cb -0.03 -2.61 0.44 0.00 -1.46 0.00 0.00 42.92 39.25 3knj s ASP 30 CO 0.04 -0.45 1.26 0.00 0.52 0.00 0.00 175.17 176.54 3knj n LEU 31 N 2.33 3.04 0.00 -1.34 -0.00 -1.26 -4.28 117.00 115.50 3knj n LEU 31 Ca 0.04 -3.92 0.00 0.00 -0.00 0.00 0.00 56.01 52.13 3knj n LEU 31 Cb 0.43 -0.54 0.00 0.00 -0.00 0.00 0.00 43.42 43.31 3knj n LEU 31 CO 0.57 1.42 0.30 -1.14 -0.00 0.00 0.00 177.39 178.53 3knj n ARG 32 N -1.11 0.77 -3.08 1.47 3.00 -1.26 -3.95 116.66 112.52 3knj n ARG 32 Ca 0.22 -0.77 -0.44 0.00 -0.00 0.00 0.00 57.85 56.87 3knj n ARG 32 Cb 0.76 -0.81 -0.05 0.00 0.00 0.00 0.00 32.46 32.35 3knj n ARG 32 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3knj s ASP 33 N -0.35 6.22 -0.01 6.15 3.68 -1.26 -4.90 116.67 126.20 3knj s ASP 33 Ca 0.00 -0.97 0.00 0.00 2.13 0.00 0.00 52.55 53.71 3knj s ASP 33 Cb 0.00 -2.32 0.02 0.00 -1.45 0.00 0.00 42.92 39.16 3knj s ASP 33 CO 0.00 -1.04 0.57 0.00 0.13 0.00 0.00 175.17 174.83 3knj n TYR 34 N 6.52 0.05 -0.01 -5.34 0.18 -1.26 -3.84 117.16 113.46 3knj n TYR 34 Ca -0.06 -0.06 -0.01 0.00 1.88 0.00 0.00 57.90 59.65 3knj n TYR 34 Cb 0.45 -0.12 -0.01 0.00 -0.38 0.00 0.00 39.34 39.28 3knj n TYR 34 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3knj n ARG 35 N 0.05 0.03 -1.39 -3.48 1.74 -1.26 -4.43 116.66 107.93 3knj n ARG 35 Ca 0.01 0.01 -0.29 0.00 -0.77 0.00 0.00 57.85 56.80 3knj n ARG 35 Cb 0.29 -0.95 -0.10 0.00 -1.02 0.00 0.00 32.46 30.69 3knj n ARG 35 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3knj n ASN 36 N -2.62 1.88 -0.27 0.55 2.04 -1.25 -4.64 115.26 110.95 3knj n ASN 36 Ca -0.03 -2.58 0.01 0.00 -0.44 0.00 0.00 54.58 51.55 3knj n ASN 36 Cb 0.53 -1.36 0.14 0.00 -2.53 0.00 0.00 39.78 36.56 3knj n ASN 36 CO 0.00 0.00 0.00 -0.37 -0.44 0.00 0.00 177.26 176.45 3knj h VAL 37 N 5.83 0.95 -0.78 3.53 -1.51 -1.89 -0.52 116.25 121.85 3knj h VAL 37 Ca 0.18 -0.27 0.15 0.00 -1.23 0.00 0.00 66.70 65.53 3knj h VAL 37 Cb 0.86 0.10 -0.05 0.00 -2.13 0.00 0.00 31.29 30.07 3knj h VAL 37 CO 1.45 0.14 0.52 -0.33 -1.23 0.00 0.00 177.57 178.12 3knj h GLU 38 N 0.78 0.45 -0.00 5.19 5.08 -1.98 1.07 114.58 125.17 3knj h GLU 38 Ca 0.36 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.69 3knj h GLU 38 Cb 0.27 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.42 3knj h GLU 38 CO -0.21 0.30 -0.01 0.28 -1.00 0.00 0.00 179.01 178.37 3knj h VAL 39 N 0.46 1.55 -0.60 3.13 2.07 -1.54 -3.34 116.25 117.99 3knj h VAL 39 Ca 0.39 -1.62 -0.02 0.00 0.82 0.00 0.00 66.70 66.26 3knj h VAL 39 Cb 0.84 2.65 -0.03 0.00 -1.52 0.00 0.00 31.29 33.23 3knj h VAL 39 CO -0.14 0.42 0.28 -0.07 0.02 0.00 0.00 177.57 178.09 3knj h LEU 40 N -0.68 0.78 -0.94 2.57 3.38 0.52 -3.13 115.31 117.82 3knj h LEU 40 Ca -0.00 -0.13 0.27 0.00 0.09 0.00 0.00 57.88 58.10 3knj h LEU 40 Cb 0.70 -0.20 -0.14 0.00 0.09 0.00 0.00 40.66 41.10 3knj h LEU 40 CO 0.00 0.70 0.39 0.50 0.09 0.00 0.00 178.44 180.12 3knj h LYS 41 N 0.81 0.28 -0.73 1.13 1.63 0.95 0.24 116.57 120.89 3knj h LYS 41 Ca 0.20 -0.02 0.15 0.00 -0.85 0.00 0.00 60.65 60.14 3knj h LYS 41 Cb 0.12 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 31.65 3knj h LYS 41 CO -0.03 0.18 0.49 -0.09 -3.45 0.00 0.00 179.45 176.56 3knj h ARG 42 N 0.29 0.35 0.00 1.90 2.43 -1.69 -1.18 114.38 116.48 3knj h ARG 42 Ca 0.63 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.78 3knj h ARG 42 Cb 1.33 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.80 3knj h ARG 42 CO -0.62 0.23 0.00 1.19 -1.51 0.00 0.00 179.97 179.26 3knj n PHE 43 N -4.46 0.00 -4.40 2.20 3.01 0.84 -4.79 117.46 109.86 3knj n PHE 43 Ca 0.14 0.00 -0.27 0.00 1.01 0.00 0.00 57.45 58.32 3knj n PHE 43 Cb 0.54 0.00 -0.13 0.00 -0.01 0.00 0.00 39.48 39.88 3knj n PHE 43 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3knj s LEU 44 N -1.14 2.30 1.07 4.37 1.43 -0.45 -2.23 118.68 124.03 3knj s LEU 44 Ca 0.05 -0.71 -0.18 0.00 -1.03 0.00 0.00 54.13 52.26 3knj s LEU 44 Cb 0.02 -1.10 0.25 0.00 0.03 0.00 0.00 46.19 45.38 3knj s LEU 44 CO 0.03 0.15 1.28 -0.94 0.23 0.00 0.00 176.35 177.10 3knj s SER 45 N -1.91 2.16 -0.01 2.29 1.04 -0.71 -4.88 113.70 111.68 3knj s SER 45 Ca 0.11 0.29 0.02 0.00 0.48 0.00 0.00 55.95 56.85 3knj s SER 45 Cb -0.10 -0.31 0.08 0.00 0.10 0.00 0.00 66.02 65.79 3knj s SER 45 CO 0.05 -3.33 0.93 -0.62 0.98 0.00 0.00 173.24 171.25 3knj n GLU 46 N -4.17 1.26 -0.07 4.02 -0.58 -1.26 -1.75 120.64 118.10 3knj n GLU 46 Ca 0.16 -0.31 -0.07 0.00 -0.42 0.00 0.00 57.16 56.52 3knj n GLU 46 Cb 0.59 -1.23 -0.10 0.00 -0.57 0.00 0.00 31.44 30.13 3knj n GLU 46 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 3knj n THR 47 N -0.16 0.91 0.00 2.62 -1.04 -1.25 -4.43 114.28 110.94 3knj n THR 47 Ca 0.03 -0.55 0.00 0.00 -2.04 0.00 0.00 64.05 61.49 3knj n THR 47 Cb 0.16 -0.68 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 3knj n THR 47 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3knj n GLY 48 N 2.22 0.83 3.77 3.41 0.00 -0.72 -1.05 105.19 113.65 3knj n GLY 48 Ca -0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 3knj n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knj s LYS 49 N -0.33 4.41 0.54 1.61 -0.14 -1.26 -4.68 119.74 119.88 3knj s LYS 49 Ca 0.00 1.74 -0.21 0.00 -1.36 0.00 0.00 55.97 56.14 3knj s LYS 49 Cb 0.00 -2.92 -0.06 0.00 -1.68 0.00 0.00 37.83 33.17 3knj s LYS 49 CO 0.00 0.02 1.07 -0.89 -0.76 0.00 0.00 175.35 174.79 3knj n ILE 50 N 0.65 3.40 -2.89 2.17 2.08 -1.26 -1.74 119.36 121.77 3knj n ILE 50 Ca 0.01 -0.50 -0.41 0.00 0.56 0.00 0.00 62.75 62.42 3knj n ILE 50 Cb 0.46 -1.28 -0.04 0.00 -0.75 0.00 0.00 39.64 38.03 3knj n ILE 50 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3knj s LEU 51 N -1.99 4.33 0.31 1.39 1.43 -0.95 -4.78 118.68 118.43 3knj s LEU 51 Ca 0.71 1.40 -0.29 0.00 -1.03 0.00 0.00 54.13 54.92 3knj s LEU 51 Cb -0.45 -3.31 -0.13 0.00 0.03 0.00 0.00 46.19 42.34 3knj s LEU 51 CO 0.50 -0.19 1.32 -0.81 0.23 0.00 0.00 176.35 177.40 3knj n PRO 52 N 3.89 2.07 -0.17 1.29 -0.04 -1.26 -4.67 135.00 136.10 3knj n PRO 52 Ca 0.02 0.73 0.05 0.00 -0.04 0.00 0.00 63.50 64.26 3knj n PRO 52 Cb 0.51 -2.33 0.11 0.00 -0.04 0.00 0.00 33.50 31.76 3knj n PRO 52 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3knj n ARG 53 N 1.05 -0.04 0.00 0.54 3.00 -1.26 -2.79 116.66 117.16 3knj n ARG 53 Ca 0.07 0.74 0.00 0.00 -0.00 0.00 0.00 57.85 58.67 3knj n ARG 53 Cb 0.34 -1.15 0.00 0.00 0.00 0.00 0.00 32.46 31.65 3knj n ARG 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 3knj n ARG 54 N -4.66 0.00 -0.38 -0.14 1.74 -1.26 0.97 116.66 112.92 3knj n ARG 54 Ca 0.10 0.00 0.34 0.00 -0.77 0.00 0.00 57.85 57.52 3knj n ARG 54 Cb 0.32 -0.38 0.61 0.00 -1.02 0.00 0.00 32.46 31.98 3knj n ARG 54 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3knj h ARG 55 N 0.00 0.05 -0.26 5.56 2.47 -1.87 0.70 114.38 121.03 3knj h ARG 55 Ca 0.00 -0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 3knj h ARG 55 Cb 0.00 -0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 3knj h ARG 55 CO 0.00 0.04 -0.03 1.79 0.56 0.00 0.00 179.97 182.32 3knj h THR 56 N 0.06 1.27 -4.07 2.04 1.35 -1.37 -1.23 112.91 110.95 3knj h THR 56 Ca 0.84 -1.01 -0.25 0.00 -0.55 0.00 0.00 66.41 65.44 3knj h THR 56 Cb 2.39 1.40 0.09 0.00 -1.73 0.00 0.00 68.15 70.30 3knj h THR 56 CO -0.61 0.32 -0.43 0.61 -0.25 0.00 0.00 175.52 175.15 3knj n GLY 57 N -0.23 0.00 0.00 5.82 0.00 0.27 -1.47 105.19 109.59 3knj n GLY 57 Ca -0.03 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.90 3knj n GLY 57 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3knj n LEU 58 N -3.35 0.00 -4.98 0.99 4.32 -1.26 -4.48 117.00 108.24 3knj n LEU 58 Ca 0.00 0.00 -0.21 0.00 -0.02 0.00 0.00 56.01 55.78 3knj n LEU 58 Cb 0.54 0.00 0.03 0.00 -1.62 0.00 0.00 43.42 42.37 3knj n LEU 58 CO 0.41 0.00 0.21 -0.55 -1.22 0.00 0.00 177.39 176.24 3knj s SER 59 N -0.85 5.04 0.01 -1.43 0.15 -1.26 -4.88 113.70 110.49 3knj s SER 59 Ca 0.00 -0.89 -0.15 0.00 0.70 0.00 0.00 55.95 55.61 3knj s SER 59 Cb 0.00 0.12 -0.08 0.00 -1.71 0.00 0.00 66.02 64.35 3knj s SER 59 CO 0.00 -1.14 0.99 0.00 1.20 0.00 0.00 173.24 174.29 3knj h ALA 60 N 0.47 -0.91 -0.79 5.45 0.00 -2.00 -0.14 119.26 121.35 3knj h ALA 60 Ca -0.34 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.53 3knj h ALA 60 Cb 1.29 0.21 -0.11 0.00 0.00 0.00 0.00 17.79 19.18 3knj h ALA 60 CO 0.47 -0.87 -0.57 -0.22 0.00 0.00 0.00 179.25 178.07 3knj h LYS 61 N -0.66 -0.14 0.03 0.00 3.64 -2.00 -2.34 116.57 115.11 3knj h LYS 61 Ca -0.05 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.34 3knj h LYS 61 Cb 0.41 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.23 3knj h LYS 61 CO 0.09 -0.09 -0.28 0.93 -2.27 0.00 0.00 179.45 177.83 3knj h GLU 62 N -0.14 -0.36 -0.91 1.90 5.08 -1.94 -1.86 114.58 116.35 3knj h GLU 62 Ca 0.14 0.02 0.37 0.00 -1.00 0.00 0.00 59.36 58.89 3knj h GLU 62 Cb 0.49 0.08 -0.16 0.00 0.50 0.00 0.00 28.75 29.65 3knj h GLU 62 CO -0.82 -0.24 0.45 0.94 -1.00 0.00 0.00 179.01 178.34 3knj n GLN 63 N -4.05 -0.06 0.00 2.33 -0.06 -0.07 -2.17 117.38 113.30 3knj n GLN 63 Ca -0.04 1.26 0.00 0.00 -2.00 0.00 0.00 57.00 56.22 3knj n GLN 63 Cb 0.21 -2.24 0.00 0.00 -4.06 0.00 0.00 30.24 24.15 3knj n GLN 63 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3knj n ARG 64 N -5.08 0.00 0.00 3.69 1.74 -0.71 -2.41 116.66 113.89 3knj n ARG 64 Ca 0.33 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.41 3knj n ARG 64 Cb 1.13 -0.31 0.00 0.00 -1.02 0.00 0.00 32.46 32.25 3knj n ARG 64 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3knj n ILE 65 N 0.00 0.00 -0.11 0.55 5.41 -0.92 0.34 119.36 124.63 3knj n ILE 65 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 62.75 63.72 3knj n ILE 65 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 38.90 3knj n ILE 65 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3knj n LEU 66 N -0.22 -0.28 -0.07 1.39 7.94 -1.10 0.11 117.00 124.77 3knj n LEU 66 Ca 0.00 0.60 -0.09 0.00 -1.11 0.00 0.00 56.01 55.41 3knj n LEU 66 Cb 0.00 -0.13 -0.06 0.00 0.53 0.00 0.00 43.42 43.76 3knj n LEU 66 CO 0.00 -0.45 0.50 0.00 -1.11 0.00 0.00 177.39 176.33 3knj h ALA 67 N -0.00 -0.61 0.00 1.96 0.00 0.60 1.46 119.26 122.66 3knj h ALA 67 Ca 0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3knj h ALA 67 Cb 0.11 0.94 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3knj h ALA 67 CO -0.25 -0.77 0.00 1.63 0.00 0.00 0.00 179.25 179.87 3knj n LYS 68 N -4.32 0.26 0.00 0.00 4.01 0.12 0.54 118.16 118.77 3knj n LYS 68 Ca -0.02 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.78 3knj n LYS 68 Cb 0.21 -1.06 0.00 0.00 -0.51 0.00 0.00 35.03 33.67 3knj n LYS 68 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3knj n THR 69 N -0.09 0.00 0.00 -0.18 -2.24 0.83 -4.63 114.28 107.97 3knj n THR 69 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3knj n THR 69 Cb 0.03 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 3knj n THR 69 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 3knj n ILE 70 N -1.44 0.00 -0.16 2.28 2.08 0.47 -2.98 119.36 119.61 3knj n ILE 70 Ca 0.00 0.92 0.09 0.00 0.56 0.00 0.00 62.75 64.32 3knj n ILE 70 Cb 0.27 -1.75 0.17 0.00 -0.75 0.00 0.00 39.64 37.58 3knj n ILE 70 CO 0.00 0.00 0.00 0.29 0.56 0.00 0.00 176.55 177.40 3knj n LYS 71 N -1.22 -0.03 0.36 0.38 5.02 -0.57 0.11 118.16 122.22 3knj n LYS 71 Ca 0.00 0.68 -0.19 0.00 -2.02 0.00 0.00 58.31 56.79 3knj n LYS 71 Cb 0.00 -1.12 -0.09 0.00 -0.02 0.00 0.00 35.03 33.80 3knj n LYS 71 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3knj h ARG 72 N 0.00 -1.02 -0.72 1.97 3.08 -1.80 -1.94 114.38 113.95 3knj h ARG 72 Ca 0.31 0.07 0.15 0.00 0.07 0.00 0.00 59.98 60.58 3knj h ARG 72 Cb 0.70 0.23 -0.13 0.00 0.08 0.00 0.00 29.97 30.85 3knj h ARG 72 CO -0.42 -0.68 -0.09 0.00 -1.07 0.00 0.00 179.97 177.71 3knj h ALA 73 N -0.87 0.61 -0.93 0.04 0.00 0.92 0.82 119.26 119.84 3knj h ALA 73 Ca -0.08 0.26 0.18 0.00 0.00 0.00 0.00 54.91 55.27 3knj h ALA 73 Cb 0.87 0.48 -0.08 0.00 0.00 0.00 0.00 17.79 19.06 3knj h ALA 73 CO 0.05 -0.42 0.60 0.00 0.00 0.00 0.00 179.25 179.48 3knj h ARG 74 N 0.05 0.57 -0.22 0.00 3.08 -0.90 0.10 114.38 117.05 3knj h ARG 74 Ca 0.37 -0.03 -0.14 0.00 0.07 0.00 0.00 59.98 60.24 3knj h ARG 74 Cb 0.61 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3knj h ARG 74 CO -0.69 0.37 -0.46 0.82 -1.07 0.00 0.00 179.97 178.94 3knj h ILE 75 N 0.58 1.31 -0.05 2.04 2.04 0.14 -0.75 117.51 122.82 3knj h ILE 75 Ca 0.49 -1.66 0.00 0.00 1.00 0.00 0.00 64.86 64.70 3knj h ILE 75 Cb 0.98 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.69 3knj h ILE 75 CO -0.24 0.52 0.00 0.18 0.00 0.00 0.00 178.15 178.61 3knj n LEU 76 N -4.00 1.02 -3.58 1.44 7.99 -0.24 -4.81 117.00 114.82 3knj n LEU 76 Ca -0.02 -0.51 -0.27 0.00 -0.01 0.00 0.00 56.01 55.20 3knj n LEU 76 Cb 0.55 -0.35 0.01 0.00 -0.11 0.00 0.00 43.42 43.52 3knj n LEU 76 CO 0.46 0.21 0.02 0.61 -1.51 0.00 0.00 177.39 177.19 3knj n GLY 77 N 0.23 -0.49 0.04 -0.72 0.00 -0.29 -4.79 105.19 99.17 3knj n GLY 77 Ca 0.02 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.30 3knj n GLY 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3knj n LEU 78 N -4.18 0.62 -4.27 0.99 4.77 0.20 -4.91 117.00 110.22 3knj n LEU 78 Ca 0.00 0.09 -0.19 0.00 -0.03 0.00 0.00 56.01 55.89 3knj n LEU 78 Cb 0.54 -0.17 -0.08 0.00 -2.33 0.00 0.00 43.42 41.37 3knj n LEU 78 CO 0.62 0.02 -0.12 -0.76 -1.33 0.00 0.00 177.39 175.83 3knj s LEU 79 N -3.80 1.68 0.32 2.23 1.43 -1.24 -4.91 118.68 114.39 3knj s LEU 79 Ca 0.07 -1.72 0.03 0.00 -1.03 0.00 0.00 54.13 51.48 3knj s LEU 79 Cb 0.15 0.55 -0.03 0.00 0.03 0.00 0.00 46.19 46.90 3knj s LEU 79 CO 0.74 -1.04 0.49 -2.16 0.23 0.00 0.00 176.35 174.60 3knj s PRO 80 N -3.51 3.37 -0.10 1.29 0.04 -1.26 -4.66 135.00 130.17 3knj s PRO 80 Ca 0.41 -0.59 0.20 0.00 0.04 0.00 0.00 61.00 61.06 3knj s PRO 80 Cb 0.03 -2.75 -0.30 0.00 0.04 0.00 0.00 34.50 31.52 3knj s PRO 80 CO 0.26 0.18 0.31 1.19 0.04 0.00 0.00 177.00 178.98 3knj n PHE 81 N -1.68 0.00 -3.42 0.56 3.72 -1.26 -4.88 117.46 110.50 3knj n PHE 81 Ca -0.05 0.00 -0.01 0.00 -0.05 0.00 0.00 57.45 57.34 3knj n PHE 81 Cb 0.57 -0.70 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 3knj n PHE 81 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 3knj n THR 82 N -2.45 0.00 0.00 4.37 -1.04 -1.26 -4.72 114.28 109.18 3knj n THR 82 Ca -0.16 -0.12 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 3knj n THR 82 Cb 0.81 0.14 0.00 0.00 -1.82 0.00 0.00 70.33 69.46 3knj n THR 82 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 3knj n GLU 83 N -0.12 0.00 -1.06 -2.82 0.28 -0.22 -4.81 120.64 111.89 3knj n GLU 83 Ca -0.01 0.00 -0.29 0.00 -0.16 0.00 0.00 57.16 56.70 3knj n GLU 83 Cb 0.10 0.00 0.21 0.00 1.43 0.00 0.00 31.44 33.18 3knj n GLU 83 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 3knj s LYS 84 N -1.07 -0.47 0.31 3.44 -0.14 -1.26 -3.91 119.74 116.64 3knj s LYS 84 Ca 0.00 0.28 0.07 0.00 -1.36 0.00 0.00 55.97 54.97 3knj s LYS 84 Cb 0.00 -1.65 -0.03 0.00 -1.68 0.00 0.00 37.83 34.47 3knj s LYS 84 CO 0.00 -3.29 0.29 -1.17 -0.76 0.00 0.00 175.35 170.42 3knj s LEU 85 N -6.76 3.72 -0.24 3.17 2.96 -1.26 -4.78 118.68 115.49 3knj s LEU 85 Ca 0.68 -0.38 -0.14 0.00 -0.22 0.00 0.00 54.13 54.07 3knj s LEU 85 Cb -0.16 -2.33 -0.04 0.00 0.50 0.00 0.00 46.19 44.16 3knj s LEU 85 CO 0.58 -0.26 0.32 -0.69 -1.32 0.00 0.00 176.35 174.97 3knj s VAL 86 N -2.23 5.24 0.23 1.68 1.01 -1.26 -4.95 120.40 120.11 3knj s VAL 86 Ca 0.39 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.87 3knj s VAL 86 Cb -0.07 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3knj s VAL 86 CO 0.27 0.24 0.00 -2.11 0.00 0.00 0.00 175.10 173.50 3knj n ARG 87 N 4.74 -2.40 0.00 2.72 0.00 -1.26 -5.26 116.66 115.20 3knj n ARG 87 Ca -0.10 1.76 0.05 0.00 -0.00 0.00 0.00 57.85 59.55 3knj n ARG 87 Cb 0.51 -2.23 0.04 0.00 -0.00 0.00 0.00 32.46 30.78 3knj n ARG 87 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80