#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nkd s THR 2 N 0.00 2.93 0.26 3.17 -4.23 -1.26 -4.88 115.64 111.63 1nkd s THR 2 Ca 0.00 0.30 -0.03 0.00 -1.18 0.00 0.00 61.69 60.78 1nkd s THR 2 Cb 0.00 -2.97 0.14 0.00 1.34 0.00 0.00 72.50 71.00 1nkd s THR 2 CO 0.00 -0.40 1.78 0.11 -0.54 0.00 0.00 174.62 175.58 1nkd h LYS 3 N -1.23 0.89 -0.54 3.99 1.79 -2.04 -1.00 116.57 118.43 1nkd h LYS 3 Ca -0.48 -0.20 -0.08 0.00 -2.18 0.00 0.00 60.65 57.71 1nkd h LYS 3 Cb 1.27 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 31.78 1nkd h LYS 3 CO 0.58 0.82 0.01 1.96 -1.08 0.00 0.00 179.45 181.74 1nkd h GLN 4 N 0.85 0.92 -0.78 3.15 4.20 -2.00 -1.51 115.11 119.94 1nkd h GLN 4 Ca 0.18 -0.26 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 1nkd h GLN 4 Cb 0.35 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.00 1nkd h GLN 4 CO 0.00 0.90 0.28 0.93 -0.67 0.00 0.00 178.83 180.28 1nkd h GLU 5 N 0.85 1.18 -0.63 1.46 5.08 -1.85 -2.58 114.58 118.10 1nkd h GLU 5 Ca 0.16 -0.23 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1nkd h GLU 5 Cb 0.48 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1nkd h GLU 5 CO 0.02 0.98 0.24 -0.22 -1.00 0.00 0.00 179.01 179.03 1nkd h LYS 6 N 1.15 0.95 -0.44 2.33 3.64 -0.81 -0.12 116.57 123.27 1nkd h LYS 6 Ca 0.26 -0.18 0.05 0.00 -1.27 0.00 0.00 60.65 59.50 1nkd h LYS 6 Cb 0.26 -0.15 -0.04 0.00 -0.41 0.00 0.00 32.23 31.89 1nkd h LYS 6 CO -0.02 0.81 0.19 1.15 -2.27 0.00 0.00 179.45 179.31 1nkd h THR 7 N 0.88 0.92 -0.52 1.00 2.02 -1.11 -0.35 112.91 115.74 1nkd h THR 7 Ca 0.21 -0.13 -0.04 0.00 0.77 0.00 0.00 66.41 67.22 1nkd h THR 7 Cb 0.22 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.11 1nkd h THR 7 CO -0.02 0.07 0.19 0.00 0.37 0.00 0.00 175.52 176.13 1nkd h ALA 8 N 1.26 0.68 -0.39 6.16 0.00 -1.03 -1.31 119.26 124.63 1nkd h ALA 8 Ca 0.20 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1nkd h ALA 8 Cb 0.15 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1nkd h ALA 8 CO -0.17 0.31 0.18 1.25 0.00 0.00 0.00 179.25 180.82 1nkd h LEU 9 N 0.71 0.53 -0.84 0.00 5.85 -0.75 -0.31 115.31 120.49 1nkd h LEU 9 Ca 0.17 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1nkd h LEU 9 Cb 0.23 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 1nkd h LEU 9 CO -0.01 0.52 0.53 0.78 -0.34 0.00 0.00 178.44 179.92 1nkd h ASN 10 N 0.49 0.99 -0.60 1.25 2.35 -0.92 -0.85 115.58 118.29 1nkd h ASN 10 Ca 0.13 -0.05 -0.09 0.00 -0.55 0.00 0.00 56.30 55.74 1nkd h ASN 10 Cb 0.15 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.24 1nkd h ASN 10 CO -0.01 0.74 0.01 0.24 -1.65 0.00 0.00 177.43 176.76 1nkd h MET 11 N 1.15 1.07 -0.82 0.81 2.86 -0.91 -1.52 114.93 117.57 1nkd h MET 11 Ca 0.31 -0.33 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1nkd h MET 11 Cb -0.09 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.44 1nkd h MET 11 CO -0.06 1.03 0.38 0.00 1.06 0.00 0.00 176.91 179.32 1nkd h ALA 12 N 1.02 1.06 -0.40 6.32 0.00 -0.61 -0.19 119.26 126.46 1nkd h ALA 12 Ca 0.18 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1nkd h ALA 12 Cb 0.54 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1nkd h ALA 12 CO 0.03 0.63 0.26 -0.09 0.00 0.00 0.00 179.25 180.09 1nkd h ARG 13 N 1.17 0.53 -0.28 0.00 2.43 -0.92 -1.51 114.38 115.79 1nkd h ARG 13 Ca 0.28 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1nkd h ARG 13 Cb 0.14 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 1nkd h ARG 13 CO -0.03 0.35 0.18 0.35 -1.51 0.00 0.00 179.97 179.31 1nkd h PHE 14 N 0.54 0.37 -0.77 2.20 3.57 -0.93 -1.95 116.94 119.97 1nkd h PHE 14 Ca 0.15 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.61 1nkd h PHE 14 Cb -0.06 -0.12 -0.03 0.00 2.79 0.00 0.00 35.95 38.53 1nkd h PHE 14 CO -0.05 0.25 0.33 0.82 -2.23 0.00 0.00 178.31 177.44 1nkd h ILE 15 N 0.37 1.25 -0.65 1.41 2.04 -0.85 -0.10 117.51 120.99 1nkd h ILE 15 Ca 0.10 -0.76 0.03 0.00 1.00 0.00 0.00 64.86 65.23 1nkd h ILE 15 Cb -0.02 0.32 -0.04 0.00 -0.74 0.00 0.00 36.82 36.34 1nkd h ILE 15 CO -0.02 0.31 0.41 -0.09 0.00 0.00 0.00 178.15 178.76 1nkd h ARG 16 N 1.10 0.78 -0.48 2.37 2.43 -1.04 -0.32 114.38 119.22 1nkd h ARG 16 Ca 0.26 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 59.26 1nkd h ARG 16 Cb 0.18 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1nkd h ARG 16 CO -0.03 0.51 -0.19 0.66 -1.51 0.00 0.00 179.97 179.42 1nkd h SER 17 N 0.80 0.99 -0.63 -3.80 4.64 -0.84 -2.46 113.55 112.25 1nkd h SER 17 Ca 0.26 -0.39 -0.06 0.00 -0.47 0.00 0.00 61.79 61.13 1nkd h SER 17 Cb 0.01 -0.27 -0.03 0.00 -0.31 0.00 0.00 62.40 61.80 1nkd h SER 17 CO -0.10 1.16 0.15 1.56 -0.87 0.00 0.00 176.83 178.73 1nkd h GLN 18 N 0.82 1.01 -0.20 4.77 1.08 -0.70 -1.78 115.11 120.11 1nkd h GLN 18 Ca 0.11 -0.24 -0.06 0.00 -1.45 0.00 0.00 58.65 57.01 1nkd h GLN 18 Cb 0.76 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 1nkd h GLN 18 CO 0.06 0.91 -0.12 1.79 -0.95 0.00 0.00 178.83 180.52 1nkd h THR 19 N 0.92 1.20 -0.35 -0.54 1.35 -0.95 -1.07 112.91 113.48 1nkd h THR 19 Ca 0.20 -0.86 -0.07 0.00 -0.55 0.00 0.00 66.41 65.13 1nkd h THR 19 Cb 0.36 1.18 -0.01 0.00 -1.73 0.00 0.00 68.15 67.94 1nkd h THR 19 CO 0.00 0.27 -0.06 0.25 -0.25 0.00 0.00 175.52 175.73 1nkd h LEU 20 N 0.31 0.66 -0.47 3.87 5.85 -1.06 -0.68 115.31 123.80 1nkd h LEU 20 Ca 0.06 -0.35 0.02 0.00 0.84 0.00 0.00 57.88 58.45 1nkd h LEU 20 Cb 0.41 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 1nkd h LEU 20 CO 0.02 0.86 0.27 0.74 -0.34 0.00 0.00 178.44 180.00 1nkd h THR 21 N 0.45 1.05 -0.72 1.05 2.02 -1.03 -1.08 112.91 114.65 1nkd h THR 21 Ca 0.09 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 67.03 1nkd h THR 21 Cb 0.56 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.38 1nkd h THR 21 CO 0.03 0.10 0.26 0.25 0.37 0.00 0.00 175.52 176.53 1nkd h LEU 22 N 0.55 1.02 -0.55 2.58 5.85 -1.13 -1.78 115.31 121.85 1nkd h LEU 22 Ca 0.19 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.76 1nkd h LEU 22 Cb 0.02 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.74 1nkd h LEU 22 CO -0.09 0.93 0.30 0.25 -0.34 0.00 0.00 178.44 179.50 1nkd h LEU 23 N 1.05 0.45 -0.37 2.25 5.85 -0.65 -0.08 115.31 123.80 1nkd h LEU 23 Ca 0.24 0.02 0.02 0.00 0.84 0.00 0.00 57.88 59.00 1nkd h LEU 23 Cb 0.26 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 1nkd h LEU 23 CO -0.01 0.31 0.20 -0.33 -0.34 0.00 0.00 178.44 178.26 1nkd h GLU 24 N 0.58 0.40 -0.60 1.25 5.08 -0.88 0.56 114.58 120.97 1nkd h GLU 24 Ca 0.24 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.55 1nkd h GLU 24 Cb 0.11 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1nkd h GLU 24 CO -0.14 0.26 0.29 0.87 -1.00 0.00 0.00 179.01 179.28 1nkd h LYS 25 N 0.41 0.87 -0.55 2.33 1.57 -0.64 -1.36 116.57 119.20 1nkd h LYS 25 Ca 0.15 -0.13 -0.12 0.00 -1.87 0.00 0.00 60.65 58.69 1nkd h LYS 25 Cb 0.04 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.18 1nkd h LYS 25 CO -0.09 0.71 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.31 1nkd h LEU 26 N 0.83 1.05 -0.95 2.94 3.38 -0.75 -2.79 115.31 119.01 1nkd h LEU 26 Ca 0.21 -0.35 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 1nkd h LEU 26 Cb 0.13 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.55 1nkd h LEU 26 CO -0.03 1.15 0.51 -1.13 0.09 0.00 0.00 178.44 179.04 1nkd h ASN 27 N 0.92 1.11 0.28 -0.43 -1.24 -0.69 -2.57 115.58 112.97 1nkd h ASN 27 Ca 0.14 -0.09 -0.03 0.00 0.71 0.00 0.00 56.30 57.03 1nkd h ASN 27 Cb 0.69 -0.28 -0.00 0.00 0.73 0.00 0.00 38.32 39.45 1nkd h ASN 27 CO 0.05 0.88 -0.16 -0.08 -1.29 0.00 0.00 177.43 176.82 1nkd h GLU 28 N 1.26 0.00 0.00 6.67 4.81 -1.01 -1.99 114.58 124.32 1nkd h GLU 28 Ca 0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1nkd h GLU 28 Cb -0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1nkd h GLU 28 CO -0.05 0.16 0.00 1.28 -0.73 0.00 0.00 179.01 179.67 1nkd n LEU 29 N -3.97 0.00 0.00 1.64 4.77 -0.97 -4.97 117.00 113.50 1nkd n LEU 29 Ca -0.02 0.37 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 1nkd n LEU 29 Cb 0.25 -0.37 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1nkd n LEU 29 CO 0.33 -0.08 0.00 0.00 -1.33 0.00 0.00 177.39 176.31 1nkd n ALA 30 N -1.37 0.00 0.17 -1.18 0.00 -0.75 -2.36 120.51 115.03 1nkd n ALA 30 Ca 0.09 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.66 1nkd n ALA 30 Cb 0.22 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.35 1nkd n ALA 30 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1nkd h ASP 31 N 4.74 0.00 0.43 0.00 3.32 -1.93 -1.92 116.42 121.06 1nkd h ASP 31 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1nkd h ASP 31 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1nkd h ASP 31 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 1nkd n ALA 32 N -2.55 1.43 -2.32 3.45 0.00 -0.99 -2.84 120.51 116.68 1nkd n ALA 32 Ca 0.01 0.09 0.03 0.00 0.00 0.00 0.00 53.44 53.57 1nkd n ALA 32 Cb 0.28 -1.31 0.02 0.00 0.00 0.00 0.00 19.45 18.43 1nkd n ALA 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nkd n ALA 33 N -1.71 2.26 0.11 0.00 0.00 -0.76 -4.97 120.51 115.43 1nkd n ALA 33 Ca 0.01 -1.93 -0.13 0.00 0.00 0.00 0.00 53.44 51.39 1nkd n ALA 33 Cb 0.15 -0.66 -0.06 0.00 0.00 0.00 0.00 19.45 18.88 1nkd n ALA 33 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1nkd h ASP 34 N 0.68 -0.36 -0.47 0.00 3.04 -1.30 0.63 116.42 118.65 1nkd h ASP 34 Ca -0.15 0.04 -0.05 0.00 -3.24 0.00 0.00 57.03 53.62 1nkd h ASP 34 Cb 1.73 0.13 -0.02 0.00 -1.04 0.00 0.00 39.33 40.12 1nkd h ASP 34 CO 0.07 -0.20 0.12 -0.08 -2.04 0.00 0.00 179.24 177.11 1nkd h GLU 35 N -0.29 0.80 -0.54 4.15 4.81 -1.90 -1.35 114.58 120.25 1nkd h GLU 35 Ca 0.01 -0.16 -0.11 0.00 -0.13 0.00 0.00 59.36 58.97 1nkd h GLU 35 Cb 0.28 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 1nkd h GLU 35 CO -0.04 0.73 -0.09 1.96 -0.73 0.00 0.00 179.01 180.83 1nkd h GLN 36 N 0.77 1.02 -0.74 1.92 7.50 -1.80 -1.30 115.11 122.49 1nkd h GLN 36 Ca 0.17 -0.37 -0.02 0.00 0.50 0.00 0.00 58.65 58.93 1nkd h GLN 36 Cb 0.29 -0.07 -0.03 0.00 0.05 0.00 0.00 27.48 27.72 1nkd h GLN 36 CO -0.00 1.06 0.39 0.00 -1.50 0.00 0.00 178.83 178.78 1nkd h ALA 37 N 0.93 0.94 -0.57 3.87 0.00 -0.47 0.33 119.26 124.30 1nkd h ALA 37 Ca 0.14 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 1nkd h ALA 37 Cb 0.66 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1nkd h ALA 37 CO 0.05 0.47 0.17 -0.44 0.00 0.00 0.00 179.25 179.50 1nkd h ASP 38 N 1.02 0.84 -0.51 0.00 3.32 -0.88 -0.00 116.42 120.20 1nkd h ASP 38 Ca 0.26 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 1nkd h ASP 38 Cb 0.06 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 1nkd h ASP 38 CO -0.04 0.83 0.26 0.40 -1.72 0.00 0.00 179.24 178.98 1nkd h ILE 39 N 0.81 1.18 -0.06 0.35 2.04 -0.97 -2.96 117.51 117.90 1nkd h ILE 39 Ca 0.18 -0.50 -0.07 0.00 1.00 0.00 0.00 64.86 65.47 1nkd h ILE 39 Cb 0.30 0.58 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 1nkd h ILE 39 CO -0.00 0.20 -0.30 0.00 0.00 0.00 0.00 178.15 178.05 1nkd h GLU 41 N 0.10 0.50 -0.50 0.00 4.81 -0.85 0.82 114.58 119.47 1nkd h GLU 41 Ca 0.01 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1nkd h GLU 41 Cb 0.59 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.84 1nkd h GLU 41 CO 0.04 0.33 0.21 1.03 -0.73 0.00 0.00 179.01 179.89 1nkd h SER 42 N 0.51 0.68 -0.42 1.04 0.87 -1.36 -1.97 113.55 112.90 1nkd h SER 42 Ca 0.14 -0.16 0.03 0.00 -1.23 0.00 0.00 61.79 60.57 1nkd h SER 42 Cb -0.05 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.69 1nkd h SER 42 CO -0.03 0.66 0.22 0.25 -0.53 0.00 0.00 176.83 177.40 1nkd h LEU 43 N 0.67 0.32 -0.59 2.23 5.85 -0.62 -0.64 115.31 122.53 1nkd h LEU 43 Ca 0.17 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 1nkd h LEU 43 Cb 0.18 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 1nkd h LEU 43 CO -0.01 0.23 0.29 -0.74 -0.34 0.00 0.00 178.44 177.86 1nkd h HIS 44 N 0.44 0.85 -0.84 1.25 2.76 -0.67 0.16 115.15 119.11 1nkd h HIS 44 Ca 0.18 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1nkd h HIS 44 Cb 0.08 -0.27 -0.04 0.00 1.55 0.00 0.00 27.41 28.73 1nkd h HIS 44 CO -0.10 0.65 0.54 -0.44 -1.30 0.00 0.00 177.93 177.28 1nkd h ASP 45 N 0.81 0.97 0.05 3.26 3.32 -0.99 -0.14 116.42 123.70 1nkd h ASP 45 Ca 0.20 -0.04 -0.13 0.00 0.02 0.00 0.00 57.03 57.09 1nkd h ASP 45 Cb 0.11 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.41 1nkd h ASP 45 CO -0.03 0.72 -0.42 0.45 -1.72 0.00 0.00 179.24 178.24 1nkd h HIS 46 N 1.14 0.56 -0.42 4.55 3.86 -0.64 -1.16 115.15 123.04 1nkd h HIS 46 Ca 0.30 -0.16 -0.11 0.00 -1.16 0.00 0.00 60.37 59.24 1nkd h HIS 46 Cb -0.10 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.23 1nkd h HIS 46 CO 0.00 0.82 -0.19 0.00 0.86 0.00 0.00 177.93 179.42 1nkd h ALA 47 N 1.16 0.88 -0.56 2.45 0.00 -0.42 -1.27 119.26 121.51 1nkd h ALA 47 Ca 0.03 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.54 1nkd h ALA 47 Cb 0.90 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1nkd h ALA 47 CO 0.08 0.63 0.20 0.22 0.00 0.00 0.00 179.25 180.38 1nkd h ASP 48 N 0.71 0.78 -0.63 0.00 3.58 -0.83 -1.12 116.42 118.92 1nkd h ASP 48 Ca 0.10 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.36 1nkd h ASP 48 Cb 0.70 -0.20 -0.03 0.00 1.72 0.00 0.00 39.33 41.52 1nkd h ASP 48 CO 0.05 0.76 0.37 -0.08 -2.88 0.00 0.00 179.24 177.46 1nkd h GLU 49 N 0.76 0.86 -0.15 0.28 4.81 -0.93 -0.67 114.58 119.54 1nkd h GLU 49 Ca 0.18 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1nkd h GLU 49 Cb 0.23 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 1nkd h GLU 49 CO -0.01 0.62 0.09 1.25 -0.73 0.00 0.00 179.01 180.23 1nkd h LEU 50 N 0.85 0.19 -0.31 1.64 5.85 -1.03 -0.70 115.31 121.79 1nkd h LEU 50 Ca 0.22 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.93 1nkd h LEU 50 Cb -0.00 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 40.95 1nkd h LEU 50 CO -0.04 0.18 0.12 0.22 -0.34 0.00 0.00 178.44 178.58 1nkd h TYR 51 N 0.18 0.21 -0.88 1.25 3.20 -0.88 -0.42 116.97 119.64 1nkd h TYR 51 Ca 0.06 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.95 1nkd h TYR 51 Cb 0.03 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.20 1nkd h TYR 51 CO -0.05 0.10 0.58 0.00 -1.64 0.00 0.00 178.16 177.15 1nkd h ARG 52 N 0.26 1.15 -0.47 1.82 3.08 -0.95 -0.11 114.38 119.16 1nkd h ARG 52 Ca 0.14 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1nkd h ARG 52 Cb 0.10 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.87 1nkd h ARG 52 CO -0.13 0.76 0.18 1.03 -1.07 0.00 0.00 179.97 180.74 1nkd h SER 53 N 1.18 0.65 -0.37 7.04 0.87 -0.71 -1.31 113.55 120.91 1nkd h SER 53 Ca 0.32 -0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1nkd h SER 53 Cb -0.12 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 61.65 1nkd h SER 53 CO -0.07 0.65 0.22 0.00 -0.53 0.00 0.00 176.83 177.09 1nkd h LEU 55 N 0.48 0.88 -0.73 0.00 5.85 -0.86 0.64 115.31 121.56 1nkd h LEU 55 Ca 0.13 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.72 1nkd h LEU 55 Cb 0.02 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1nkd h LEU 55 CO -0.02 0.59 -0.60 0.00 -0.34 0.00 0.00 178.44 178.07 1nkd h ALA 56 N 1.37 0.94 0.24 1.25 0.00 -1.12 -1.52 119.26 120.41 1nkd h ALA 56 Ca 0.35 -0.54 -0.34 0.00 0.00 0.00 0.00 54.91 54.38 1nkd h ALA 56 Cb 0.06 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 17.79 1nkd h ALA 56 CO -0.14 0.73 -1.51 -0.09 0.00 0.00 0.00 179.25 178.25 1nkd h ARG 57 N 0.09 0.50 0.00 0.00 2.43 -0.99 -3.36 114.38 113.06 1nkd h ARG 57 Ca -0.01 -0.85 -0.16 0.00 -0.81 0.00 0.00 59.98 58.15 1nkd h ARG 57 Cb 1.07 0.32 -0.03 0.00 -0.42 0.00 0.00 29.97 30.92 1nkd h ARG 57 CO 0.09 1.41 -1.21 0.74 -1.51 0.00 0.00 179.97 179.48 1nkd h PHE 58 N 0.14 0.00 -0.03 2.20 0.04 -0.93 -3.51 116.94 114.85 1nkd h PHE 58 Ca -0.26 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.51 1nkd h PHE 58 Cb 2.15 0.00 0.00 0.00 2.20 0.00 0.00 35.95 40.30 1nkd h PHE 58 CO 0.12 0.60 0.00 0.41 -0.60 0.00 0.00 178.31 178.84