#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dkn h ASP 3 N 0.00 0.37 -0.62 8.00 3.32 -2.05 0.69 116.42 126.13 3dkn h ASP 3 Ca 0.00 0.19 0.11 0.00 0.02 0.00 0.00 57.03 57.35 3dkn h ASP 3 Cb 0.00 0.18 -0.08 0.00 0.22 0.00 0.00 39.33 39.65 3dkn h ASP 3 CO 0.00 -0.15 0.18 0.15 -1.72 0.00 0.00 179.24 177.71 3dkn h PHE 4 N 0.29 0.31 -0.18 4.55 3.57 -2.05 0.12 116.94 123.55 3dkn h PHE 4 Ca 0.69 0.03 0.03 0.00 3.53 0.00 0.00 57.97 62.25 3dkn h PHE 4 Cb 1.54 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 40.21 3dkn h PHE 4 CO -0.08 0.03 0.02 -0.91 -2.23 0.00 0.00 178.31 175.14 3dkn h ASN 5 N 0.33 -0.03 0.01 0.41 2.35 -0.06 -0.99 115.58 117.61 3dkn h ASN 5 Ca 0.32 0.03 0.00 0.00 -0.55 0.00 0.00 56.30 56.11 3dkn h ASN 5 Cb 0.45 0.05 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 3dkn h ASN 5 CO -0.36 0.01 -0.11 1.56 -1.65 0.00 0.00 177.43 176.88 3dkn h GLN 6 N 0.09 -0.15 -0.86 0.81 1.08 -0.30 0.13 115.11 115.91 3dkn h GLN 6 Ca 0.08 0.01 0.22 0.00 -1.45 0.00 0.00 58.65 57.52 3dkn h GLN 6 Cb 0.09 0.03 -0.14 0.00 -0.05 0.00 0.00 27.48 27.41 3dkn h GLN 6 CO -0.13 -0.10 0.22 0.87 -0.95 0.00 0.00 178.83 178.75 3dkn h LYS 7 N -0.15 0.20 -0.74 1.46 1.57 -0.95 0.51 116.57 118.47 3dkn h LYS 7 Ca 0.00 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3dkn h LYS 7 Cb 0.16 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3dkn h LYS 7 CO -0.07 0.13 0.47 0.82 -0.57 0.00 0.00 179.45 180.24 3dkn h ILE 8 N 0.21 1.13 -0.56 1.86 2.04 -0.50 0.11 117.51 121.80 3dkn h ILE 8 Ca 0.53 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 66.07 3dkn h ILE 8 Cb 1.06 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.22 3dkn h ILE 8 CO -0.65 0.17 0.32 -0.33 0.00 0.00 0.00 178.15 177.66 3dkn h GLU 9 N 0.94 0.77 0.29 2.37 5.08 0.26 -2.91 114.58 121.38 3dkn h GLU 9 Ca 0.29 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.55 3dkn h GLU 9 Cb -0.03 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.07 3dkn h GLU 9 CO -0.09 0.58 -0.14 1.96 -1.00 0.00 0.00 179.01 180.32 3dkn h GLN 10 N 0.75 -0.37 -0.91 2.33 4.20 0.31 -2.93 115.11 118.49 3dkn h GLN 10 Ca 0.20 0.03 0.18 0.00 0.06 0.00 0.00 58.65 59.12 3dkn h GLN 10 Cb 0.02 0.09 -0.11 0.00 0.30 0.00 0.00 27.48 27.78 3dkn h GLN 10 CO -0.03 -0.07 0.47 -0.07 -0.67 0.00 0.00 178.83 178.46 3dkn h LEU 11 N -0.68 0.54 -1.29 1.46 3.38 -0.88 1.53 115.31 119.36 3dkn h LEU 11 Ca -0.04 0.11 0.14 0.00 0.09 0.00 0.00 57.88 58.19 3dkn h LEU 11 Cb 0.47 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.19 3dkn h LEU 11 CO 0.07 0.16 0.57 0.11 0.09 0.00 0.00 178.44 179.43 3dkn h LYS 12 N 0.59 0.67 0.49 1.13 1.57 -1.43 -0.04 116.57 119.54 3dkn h LYS 12 Ca 0.53 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 59.25 3dkn h LYS 12 Cb 0.87 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.03 3dkn h LYS 12 CO -0.42 0.44 -0.23 0.93 -0.57 0.00 0.00 179.45 179.60 3dkn h GLU 13 N 0.69 -0.63 -0.06 3.15 5.08 0.23 -2.50 114.58 120.53 3dkn h GLU 13 Ca 0.44 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.87 3dkn h GLU 13 Cb 0.70 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 30.04 3dkn h GLU 13 CO -0.20 -0.37 -0.51 0.35 -1.00 0.00 0.00 179.01 177.27 3dkn h PHE 14 N -1.12 -1.51 -0.96 4.33 3.04 -0.74 0.18 116.94 120.16 3dkn h PHE 14 Ca -0.07 0.05 0.30 0.00 3.98 0.00 0.00 57.97 62.24 3dkn h PHE 14 Cb 0.55 0.67 -0.16 0.00 2.56 0.00 0.00 35.95 39.57 3dkn h PHE 14 CO 0.01 -0.55 0.39 0.82 -2.02 0.00 0.00 178.31 176.96 3dkn h ILE 15 N -0.61 0.22 0.00 1.41 2.04 -1.11 2.09 117.51 121.54 3dkn h ILE 15 Ca 0.03 -0.07 -0.07 0.00 1.00 0.00 0.00 64.86 65.75 3dkn h ILE 15 Cb 0.69 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 3dkn h ILE 15 CO -0.39 0.04 -0.34 -0.08 0.00 0.00 0.00 178.15 177.38 3dkn h GLU 16 N 0.19 0.00 -0.00 2.37 4.57 -0.26 -1.53 114.58 119.92 3dkn h GLU 16 Ca 0.68 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.77 3dkn h GLU 16 Cb 1.54 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.11 3dkn h GLU 16 CO -0.69 0.34 -0.43 1.49 -1.18 0.00 0.00 179.01 178.54 3dkn h GLU 17 N 0.00 0.01 0.00 1.92 4.57 0.53 -1.28 114.58 120.33 3dkn h GLU 17 Ca -0.00 -0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 3dkn h GLU 17 Cb 0.66 -0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.24 3dkn h GLU 17 CO 0.04 0.44 -0.08 0.00 -1.18 0.00 0.00 179.01 178.24 3dkn n ARG 19 N -3.42 0.00 -0.23 0.00 5.12 -0.48 -0.92 116.66 116.73 3dkn n ARG 19 Ca -0.01 0.07 0.27 0.00 -1.93 0.00 0.00 57.85 56.24 3dkn n ARG 19 Cb 0.23 -1.04 0.41 0.00 -1.16 0.00 0.00 32.46 30.90 3dkn n ARG 19 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3dkn n ARG 20 N -0.70 0.01 0.02 5.56 3.00 -1.24 0.25 116.66 123.57 3dkn n ARG 20 Ca 0.00 0.91 -0.18 0.00 -0.01 0.00 0.00 57.85 58.56 3dkn n ARG 20 Cb 0.00 -2.24 -0.13 0.00 0.00 0.00 0.00 32.46 30.09 3dkn n ARG 20 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 3dkn h VAL 21 N 0.00 1.48 0.00 1.55 2.07 -1.51 -3.47 116.25 116.37 3dkn h VAL 21 Ca 0.47 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 65.70 3dkn h VAL 21 Cb 2.66 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 35.33 3dkn h VAL 21 CO -0.00 0.65 0.00 1.87 0.02 0.00 0.00 177.57 180.11 3dkn n TRP 22 N -4.20 0.00 -3.37 1.57 -0.00 0.71 -4.77 117.44 107.38 3dkn n TRP 22 Ca -0.12 0.00 -0.18 0.00 -0.00 0.00 0.00 57.50 57.20 3dkn n TRP 22 Cb 0.73 0.00 0.08 0.00 -0.00 0.00 0.00 31.31 32.12 3dkn n TRP 22 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 3dkn n LEU 23 N 0.00 -3.61 0.04 5.87 4.77 -1.26 -4.91 117.00 117.89 3dkn n LEU 23 Ca 0.00 -0.53 0.00 0.00 -0.03 0.00 0.00 56.01 55.45 3dkn n LEU 23 Cb 0.00 -2.84 0.00 0.00 -2.33 0.00 0.00 43.42 38.25 3dkn n LEU 23 CO 0.00 0.44 -0.08 1.33 -1.33 0.00 0.00 177.39 177.75 3dkn n VAL 24 N -4.20 0.08 0.00 4.08 0.24 -1.26 -5.12 118.33 112.15 3dkn n VAL 24 Ca -0.15 0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.17 3dkn n VAL 24 Cb 0.61 -0.74 0.00 0.00 -1.47 0.00 0.00 33.84 32.24 3dkn n VAL 24 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3dkn n LEU 25 N -2.87 0.00 -4.41 1.34 4.77 -1.26 -4.83 117.00 109.74 3dkn n LEU 25 Ca 0.00 0.00 -0.44 0.00 -0.03 0.00 0.00 56.01 55.54 3dkn n LEU 25 Cb 0.08 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.11 3dkn n LEU 25 CO 0.00 0.00 0.28 -0.75 -1.33 0.00 0.00 177.39 175.59 3dkn s LYS 26 N 0.00 3.07 0.66 3.23 2.47 -1.26 -5.05 119.74 122.86 3dkn s LYS 26 Ca 0.00 -1.13 -0.17 0.00 -1.56 0.00 0.00 55.97 53.11 3dkn s LYS 26 Cb 0.00 -4.15 -0.00 0.00 -1.46 0.00 0.00 37.83 32.22 3dkn s LYS 26 CO 0.00 -1.26 1.25 0.15 0.16 0.00 0.00 175.35 175.66 3dkn s LYS 27 N 2.38 2.50 0.23 4.03 1.02 -1.26 -4.96 119.74 123.68 3dkn s LYS 27 Ca 0.11 1.94 -0.20 0.00 0.02 0.00 0.00 55.97 57.84 3dkn s LYS 27 Cb -0.22 -1.86 -0.08 0.00 -0.52 0.00 0.00 37.83 35.15 3dkn s LYS 27 CO 0.09 -1.60 0.75 -2.14 -0.92 0.00 0.00 175.35 171.52 3dkn s PRO 28 N -3.52 4.29 -0.18 -1.68 0.02 -1.26 -5.06 135.00 127.61 3dkn s PRO 28 Ca 0.79 0.92 -0.12 0.00 0.02 0.00 0.00 61.00 62.61 3dkn s PRO 28 Cb -0.34 -2.88 -0.05 0.00 0.02 0.00 0.00 34.50 31.26 3dkn s PRO 28 CO 0.40 0.39 0.22 0.99 -0.33 0.00 0.00 177.00 178.66 3dkn s THR 29 N -1.53 5.36 0.04 0.99 2.01 -1.26 -4.80 115.64 116.45 3dkn s THR 29 Ca 0.44 0.38 0.01 0.00 0.31 0.00 0.00 61.69 62.83 3dkn s THR 29 Cb -0.17 -3.56 0.04 0.00 0.01 0.00 0.00 72.50 68.83 3dkn s THR 29 CO 0.21 0.41 0.18 0.29 -0.69 0.00 0.00 174.62 175.02 3dkn n LYS 30 N 3.56 -0.01 0.00 4.92 4.01 -1.26 0.51 118.16 129.89 3dkn n LYS 30 Ca -0.14 0.16 0.00 0.00 -0.51 0.00 0.00 58.31 57.82 3dkn n LYS 30 Cb 0.52 -0.27 0.00 0.00 -0.51 0.00 0.00 35.03 34.77 3dkn n LYS 30 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3dkn n ASP 31 N -3.51 0.00 0.04 4.39 9.92 -1.26 -1.79 116.55 124.34 3dkn n ASP 31 Ca 0.04 0.82 -0.04 0.00 -0.53 0.00 0.00 54.79 55.08 3dkn n ASP 31 Cb 0.12 -0.38 -0.02 0.00 -0.64 0.00 0.00 41.12 40.20 3dkn n ASP 31 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 3dkn h GLU 32 N 0.00 -0.19 -0.78 -1.24 4.81 -0.33 -1.35 114.58 115.51 3dkn h GLU 32 Ca 0.00 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 3dkn h GLU 32 Cb 0.00 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.32 3dkn h GLU 32 CO 0.00 -0.12 -0.44 0.98 -0.73 0.00 0.00 179.01 178.70 3dkn n TYR 33 N -3.04 -0.29 0.00 0.92 9.36 -0.63 -1.11 117.16 122.37 3dkn n TYR 33 Ca -0.02 0.97 -0.00 0.00 3.32 0.00 0.00 57.90 62.17 3dkn n TYR 33 Cb 0.10 -0.59 -0.00 0.00 -0.63 0.00 0.00 39.34 38.21 3dkn n TYR 33 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 3dkn h LEU 34 N 0.00 -0.02 -0.76 2.98 3.38 -1.17 -0.42 115.31 119.29 3dkn h LEU 34 Ca 0.15 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.23 3dkn h LEU 34 Cb 0.34 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 40.98 3dkn h LEU 34 CO -0.74 -0.01 -0.31 0.00 0.09 0.00 0.00 178.44 177.48 3dkn n ALA 35 N -2.54 -0.12 -0.86 1.53 0.00 -0.40 -0.99 120.51 117.12 3dkn n ALA 35 Ca -0.00 0.75 0.00 0.00 0.00 0.00 0.00 53.44 54.19 3dkn n ALA 35 Cb 0.01 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.13 3dkn n ALA 35 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dkn n VAL 36 N -5.11 0.00 -0.09 0.00 0.31 -0.26 -2.21 118.33 110.97 3dkn n VAL 36 Ca 0.07 1.07 0.17 0.00 -0.01 0.00 0.00 64.34 65.65 3dkn n VAL 36 Cb 0.30 -2.00 0.27 0.00 -0.91 0.00 0.00 33.84 31.50 3dkn n VAL 36 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dkn n ALA 37 N -0.79 0.62 -0.03 3.52 0.00 -0.21 0.30 120.51 123.90 3dkn n ALA 37 Ca 0.00 0.21 -0.15 0.00 0.00 0.00 0.00 53.44 53.50 3dkn n ALA 37 Cb 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 19.45 18.99 3dkn n ALA 37 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3dkn h LYS 38 N 0.00 0.40 -0.40 0.00 1.57 -0.58 -2.69 116.57 114.87 3dkn h LYS 38 Ca 0.31 -0.31 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 3dkn h LYS 38 Cb 2.09 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 34.45 3dkn h LYS 38 CO -0.00 0.94 -0.31 -0.24 -0.57 0.00 0.00 179.45 179.26 3dkn h VAL 39 N -0.06 1.27 0.30 0.50 3.04 0.49 -2.16 116.25 119.64 3dkn h VAL 39 Ca -0.02 -1.48 -0.01 0.00 -1.01 0.00 0.00 66.70 64.19 3dkn h VAL 39 Cb 0.99 1.29 -0.01 0.00 -2.01 0.00 0.00 31.29 31.55 3dkn h VAL 39 CO 0.07 0.50 -0.31 0.74 -1.01 0.00 0.00 177.57 177.56 3dkn h THR 40 N 0.75 0.00 -0.97 3.17 2.02 -1.42 -0.42 112.91 116.04 3dkn h THR 40 Ca 0.08 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.42 3dkn h THR 40 Cb 0.88 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.20 3dkn h THR 40 CO 0.08 0.00 0.61 0.00 0.37 0.00 0.00 175.52 176.58 3dkn h ALA 41 N -1.24 1.70 0.45 6.16 0.00 -1.54 -0.39 119.26 124.40 3dkn h ALA 41 Ca -0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3dkn h ALA 41 Cb 0.53 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3dkn h ALA 41 CO -0.04 0.00 -0.42 1.25 0.00 0.00 0.00 179.25 180.04 3dkn h LEU 42 N 0.80 -1.15 -1.46 0.00 7.12 -0.89 -0.41 115.31 119.33 3dkn h LEU 42 Ca 0.51 0.09 0.08 0.00 0.13 0.00 0.00 57.88 58.69 3dkn h LEU 42 Cb 0.74 0.37 -0.04 0.00 -0.53 0.00 0.00 40.66 41.20 3dkn h LEU 42 CO -0.28 -0.57 0.46 1.23 -0.13 0.00 0.00 178.44 179.15 3dkn h GLY 43 N -0.86 0.85 0.92 3.75 0.00 -0.60 -0.42 103.07 106.71 3dkn h GLY 43 Ca -0.06 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3dkn h GLY 43 CO -0.04 0.17 -0.20 -2.22 0.00 0.00 0.00 176.54 174.26 3dkn h ILE 44 N 0.64 0.58 -0.12 2.60 2.04 -0.59 -0.43 117.51 122.22 3dkn h ILE 44 Ca 0.31 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.12 3dkn h ILE 44 Cb 0.38 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3dkn h ILE 44 CO -0.10 0.00 -0.16 0.28 0.00 0.00 0.00 178.15 178.17 3dkn h SER 45 N -0.51 0.18 -0.65 1.72 0.02 -0.60 -0.38 113.55 113.34 3dkn h SER 45 Ca -0.04 -0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.81 3dkn h SER 45 Cb 0.42 -0.05 -0.03 0.00 0.14 0.00 0.00 62.40 62.88 3dkn h SER 45 CO 0.04 0.36 0.15 0.25 -1.14 0.00 0.00 176.83 176.49 3dkn h LEU 46 N 0.18 1.00 0.00 5.07 5.85 -0.60 0.16 115.31 126.97 3dkn h LEU 46 Ca 0.04 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.52 3dkn h LEU 46 Cb 0.39 -0.26 -0.00 0.00 0.37 0.00 0.00 40.66 41.16 3dkn h LEU 46 CO 0.02 0.97 -0.27 -0.07 -0.34 0.00 0.00 178.44 178.75 3dkn h LEU 47 N 1.00 0.00 0.01 2.25 3.38 -0.61 -3.31 115.31 118.04 3dkn h LEU 47 Ca 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 3dkn h LEU 47 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3dkn h LEU 47 CO 0.00 0.14 -0.01 1.23 0.09 0.00 0.00 178.44 179.90 3dkn h GLY 48 N 3.87 -0.02 -0.25 0.83 0.00 -0.59 -3.30 103.07 103.61 3dkn h GLY 48 Ca -0.01 0.01 0.03 0.00 0.00 0.00 0.00 47.33 47.36 3dkn h GLY 48 CO 0.02 -0.01 -0.35 -2.22 0.00 0.00 0.00 176.54 173.98 3dkn h ILE 49 N -0.98 0.00 -0.89 2.60 2.04 -0.84 -1.23 117.51 118.22 3dkn h ILE 49 Ca -0.00 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.08 3dkn h ILE 49 Cb 0.66 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 36.58 3dkn h ILE 49 CO 0.00 0.00 0.02 0.40 0.00 0.00 0.00 178.15 178.57 3dkn h ILE 50 N -0.25 0.17 0.00 -0.67 2.04 -1.74 1.31 117.51 118.37 3dkn h ILE 50 Ca 0.04 -0.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.87 3dkn h ILE 50 Cb 0.38 0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.56 3dkn h ILE 50 CO -0.37 0.01 -0.06 1.23 0.00 0.00 0.00 178.15 178.95 3dkn h GLY 51 N 0.06 0.00 0.34 5.37 0.00 -1.34 -1.95 103.07 105.56 3dkn h GLY 51 Ca 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.83 3dkn h GLY 51 CO -0.81 0.00 -0.16 -1.82 0.00 0.00 0.00 176.54 173.75 3dkn h TYR 52 N 0.00 -0.42 -1.38 5.60 3.20 0.25 0.34 116.97 124.56 3dkn h TYR 52 Ca -0.00 -0.01 0.47 0.00 3.14 0.00 0.00 58.73 62.32 3dkn h TYR 52 Cb 0.12 0.14 -0.13 0.00 1.54 0.00 0.00 36.73 38.39 3dkn h TYR 52 CO 0.00 -0.26 0.89 0.82 -1.64 0.00 0.00 178.16 177.97 3dkn h ILE 53 N -0.68 0.05 0.00 1.81 2.04 -0.78 0.52 117.51 120.47 3dkn h ILE 53 Ca -0.05 -0.01 -0.04 0.00 1.00 0.00 0.00 64.86 65.77 3dkn h ILE 53 Cb 0.35 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3dkn h ILE 53 CO 0.08 0.01 -0.40 0.40 0.00 0.00 0.00 178.15 178.23 3dkn h ILE 54 N 0.04 0.35 0.00 -0.67 1.08 -1.34 -3.41 117.51 113.55 3dkn h ILE 54 Ca 0.86 -1.34 0.00 0.00 -0.39 0.00 0.00 64.86 63.99 3dkn h ILE 54 Cb 2.77 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 37.25 3dkn h ILE 54 CO -0.43 0.12 0.00 1.57 -0.69 0.00 0.00 178.15 178.71 3dkn n HIS 55 N -4.64 0.00 0.00 1.37 -0.00 0.12 -2.59 115.22 109.48 3dkn n HIS 55 Ca -0.09 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.09 3dkn n HIS 55 Cb 0.27 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.14 3dkn n HIS 55 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 3dkn n VAL 56 N -0.21 0.00 0.16 3.57 0.31 -0.74 0.34 118.33 121.77 3dkn n VAL 56 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.19 3dkn n VAL 56 Cb 0.00 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 32.86 3dkn n VAL 56 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3dkn h PRO 57 N 0.00 -0.38 0.00 5.55 0.13 -1.76 -1.18 132.00 134.35 3dkn h PRO 57 Ca 0.00 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.16 3dkn h PRO 57 Cb 0.00 0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.22 3dkn h PRO 57 CO 0.00 -0.26 0.26 0.00 -0.23 0.00 0.00 178.00 177.77 3dkn n ALA 58 N -2.33 0.62 -0.07 -0.56 0.00 0.15 0.15 120.51 118.48 3dkn n ALA 58 Ca -0.09 0.08 -0.06 0.00 0.00 0.00 0.00 53.44 53.37 3dkn n ALA 58 Cb 0.20 -0.73 -0.15 0.00 0.00 0.00 0.00 19.45 18.76 3dkn n ALA 58 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3dkn n THR 59 N -1.78 1.17 0.26 0.00 -1.04 -0.53 -2.73 114.28 109.63 3dkn n THR 59 Ca -0.01 -0.78 0.10 0.00 -2.04 0.00 0.00 64.05 61.32 3dkn n THR 59 Cb 0.27 -0.47 0.69 0.00 -1.82 0.00 0.00 70.33 69.00 3dkn n THR 59 CO 0.00 0.00 0.00 0.22 -0.64 0.00 0.00 175.07 174.65 3dkn h TYR 60 N 0.00 0.00 0.00 -1.42 3.20 0.22 0.69 116.97 119.66 3dkn h TYR 60 Ca -0.40 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.47 3dkn h TYR 60 Cb 1.96 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.23 3dkn h TYR 60 CO 0.00 0.06 0.00 -0.89 -1.64 0.00 0.00 178.16 175.69 3dkn n ILE 61 N -4.22 0.00 -0.37 1.81 5.41 -0.73 -1.82 119.36 119.45 3dkn n ILE 61 Ca -0.03 0.43 0.32 0.00 1.00 0.00 0.00 62.75 64.48 3dkn n ILE 61 Cb 0.14 -1.24 0.55 0.00 -0.71 0.00 0.00 39.64 38.38 3dkn n ILE 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 3dkn n LYS 62 N -1.70 -0.03 0.07 0.38 4.81 -1.10 0.71 118.16 121.30 3dkn n LYS 62 Ca 0.00 1.08 -0.21 0.00 -0.87 0.00 0.00 58.31 58.31 3dkn n LYS 62 Cb 0.00 -2.08 -0.12 0.00 0.02 0.00 0.00 35.03 32.84 3dkn n LYS 62 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 3dkn h GLY 63 N 0.00 0.69 -0.21 3.14 0.00 -0.97 -2.32 103.07 103.41 3dkn h GLY 63 Ca 0.74 -1.37 0.00 0.00 0.00 0.00 0.00 47.33 46.70 3dkn h GLY 63 CO -0.45 1.21 0.00 4.51 0.00 0.00 0.00 176.54 181.81 3dkn n ILE 64 N -3.87 0.13 -0.79 2.60 0.13 0.22 -3.39 119.36 114.39 3dkn n ILE 64 Ca -0.13 -0.15 0.00 0.00 -1.10 0.00 0.00 62.75 61.37 3dkn n ILE 64 Cb 0.92 0.02 0.00 0.00 -0.84 0.00 0.00 39.64 39.75 3dkn n ILE 64 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 3dkn n LEU 65 N -0.25 0.35 0.00 9.51 4.77 -0.76 -5.05 117.00 125.58 3dkn n LEU 65 Ca 0.10 -0.35 0.11 0.00 -0.03 0.00 0.00 56.01 55.83 3dkn n LEU 65 Cb 0.14 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 41.88 3dkn n LEU 65 CO 0.07 0.09 0.84 1.17 -1.33 0.00 0.00 177.39 178.23