#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nn4 n ASN 2 N 0.00 -0.71 -4.04 1.45 6.94 -1.26 -4.95 115.26 112.69 2nn4 n ASN 2 Ca 0.00 -1.61 -0.09 0.00 -0.02 0.00 0.00 54.58 52.86 2nn4 n ASN 2 Cb 0.00 0.21 -0.09 0.00 -2.36 0.00 0.00 39.78 37.55 2nn4 n ASN 2 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 2nn4 s THR 3 N 0.00 0.13 0.17 5.53 -4.23 -1.26 -5.00 115.64 110.98 2nn4 s THR 3 Ca 0.00 -1.63 -0.17 0.00 -1.18 0.00 0.00 61.69 58.71 2nn4 s THR 3 Cb 0.00 -1.76 0.11 0.00 1.34 0.00 0.00 72.50 72.19 2nn4 s THR 3 CO 0.00 -0.57 1.66 0.15 -0.54 0.00 0.00 174.62 175.32 2nn4 h PHE 4 N 2.83 -0.25 -0.62 3.99 3.57 -2.00 -1.11 116.94 123.35 2nn4 h PHE 4 Ca -0.34 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.24 2nn4 h PHE 4 Cb 1.19 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 40.07 2nn4 h PHE 4 CO 0.44 -0.19 0.37 -0.92 -2.23 0.00 0.00 178.31 175.78 2nn4 h TYR 5 N -0.01 0.69 -0.56 0.41 5.03 -2.00 -2.46 116.97 118.07 2nn4 h TYR 5 Ca 0.21 0.02 0.11 0.00 2.58 0.00 0.00 58.73 61.65 2nn4 h TYR 5 Cb 0.33 -0.22 -0.10 0.00 1.55 0.00 0.00 36.73 38.29 2nn4 h TYR 5 CO -0.38 0.38 -0.04 -0.44 -1.32 0.00 0.00 178.16 176.35 2nn4 h ASP 6 N 0.72 -0.33 -0.46 -2.11 5.19 -1.62 0.58 116.42 118.39 2nn4 h ASP 6 Ca 0.25 0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 56.79 2nn4 h ASP 6 Cb 0.05 0.27 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 2nn4 h ASP 6 CO -0.12 -0.12 0.24 0.58 -3.12 0.00 0.00 179.24 176.70 2nn4 h VAL 7 N 0.08 1.17 -0.18 -1.35 2.07 -0.98 -1.93 116.25 115.13 2nn4 h VAL 7 Ca 0.28 -0.46 -0.05 0.00 0.82 0.00 0.00 66.70 67.30 2nn4 h VAL 7 Cb 0.45 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2nn4 h VAL 7 CO -0.51 0.19 -0.07 1.56 0.02 0.00 0.00 177.57 178.77 2nn4 h GLN 8 N 0.69 0.36 -0.93 1.57 4.20 -0.80 0.12 115.11 120.32 2nn4 h GLN 8 Ca 0.17 -0.15 0.24 0.00 0.06 0.00 0.00 58.65 58.98 2nn4 h GLN 8 Cb 0.07 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.78 2nn4 h GLN 8 CO -0.02 0.65 0.64 0.37 -0.67 0.00 0.00 178.83 179.79 2nn4 h GLN 9 N 0.05 0.19 0.16 1.46 5.75 -0.32 1.08 115.11 123.49 2nn4 h GLN 9 Ca 0.04 -0.01 -0.24 0.00 -0.15 0.00 0.00 58.65 58.29 2nn4 h GLN 9 Cb 0.53 -0.04 0.02 0.00 1.07 0.00 0.00 27.48 29.06 2nn4 h GLN 9 CO 0.02 0.13 -1.08 1.25 -2.65 0.00 0.00 178.83 176.50 2nn4 h LEU 10 N 0.20 0.53 -0.87 -2.39 5.85 -0.83 -3.29 115.31 114.51 2nn4 h LEU 10 Ca 0.47 -0.93 -0.12 0.00 0.84 0.00 0.00 57.88 58.14 2nn4 h LEU 10 Cb 1.50 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 2nn4 h LEU 10 CO -0.11 1.51 -0.50 -0.07 -0.34 0.00 0.00 178.44 178.93 2nn4 h LEU 11 N -0.25 0.16 -0.93 2.25 3.38 0.13 -2.85 115.31 117.21 2nn4 h LEU 11 Ca -0.20 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.74 2nn4 h LEU 11 Cb 1.78 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 42.43 2nn4 h LEU 11 CO 0.16 0.64 0.60 0.11 0.09 0.00 0.00 178.44 180.04 2nn4 h LYS 12 N 0.12 1.10 -0.13 1.13 1.57 0.99 -0.67 116.57 120.68 2nn4 h LYS 12 Ca 0.00 -0.07 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 2nn4 h LYS 12 Cb 0.93 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.99 2nn4 h LYS 12 CO 0.07 0.73 0.42 1.15 -0.57 0.00 0.00 179.45 181.24 2nn4 h THR 13 N 1.13 0.10 -0.22 -0.16 2.02 -1.57 0.20 112.91 114.40 2nn4 h THR 13 Ca 0.38 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.56 2nn4 h THR 13 Cb 0.07 0.61 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 2nn4 h THR 13 CO -0.14 0.00 0.00 0.49 0.37 0.00 0.00 175.52 176.24 2nn4 n PHE 14 N -3.09 0.68 0.00 3.16 3.72 -0.27 -5.06 117.46 116.60 2nn4 n PHE 14 Ca 0.01 -0.81 0.00 0.00 -0.05 0.00 0.00 57.45 56.60 2nn4 n PHE 14 Cb 0.50 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.81 2nn4 n PHE 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nn4 n GLY 15 N -0.47 1.07 7.00 1.37 0.00 0.70 -5.03 105.19 109.83 2nn4 n GLY 15 Ca 0.18 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.28 2nn4 n GLY 15 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2nn4 n HIS 16 N 0.80 0.00 -1.83 1.61 -0.00 -1.26 -4.13 115.22 110.40 2nn4 n HIS 16 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.71 2nn4 n HIS 16 Cb 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 29.99 30.01 2nn4 n HIS 16 CO 0.00 0.00 0.00 1.51 -0.00 0.00 0.00 176.34 177.85 2nn4 n ILE 17 N 0.00 -4.40 0.00 3.57 0.13 -1.26 -5.05 119.36 112.35 2nn4 n ILE 17 Ca 0.00 0.30 0.00 0.00 -1.10 0.00 0.00 62.75 61.95 2nn4 n ILE 17 Cb 0.00 -4.82 0.00 0.00 -0.84 0.00 0.00 39.64 33.98 2nn4 n ILE 17 CO 0.00 0.00 0.00 1.33 2.80 0.00 0.00 176.55 180.68 2nn4 n VAL 18 N -0.27 0.00 -1.59 9.51 0.24 -1.26 -5.05 118.33 119.90 2nn4 n VAL 18 Ca 0.02 0.00 -0.00 0.00 -2.04 0.00 0.00 64.34 62.32 2nn4 n VAL 18 Cb 0.08 -0.66 0.00 0.00 -1.47 0.00 0.00 33.84 31.79 2nn4 n VAL 18 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2nn4 n TYR 19 N 0.00 -0.30 0.22 6.34 4.01 -1.26 -5.02 117.16 121.16 2nn4 n TYR 19 Ca 0.00 0.13 0.03 0.00 -0.16 0.00 0.00 57.90 57.90 2nn4 n TYR 19 Cb 0.00 -1.69 0.01 0.00 -0.31 0.00 0.00 39.34 37.35 2nn4 n TYR 19 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 2nn4 n PHE 20 N -0.06 0.00 -1.90 -0.72 3.72 -1.26 -4.97 117.46 112.27 2nn4 n PHE 20 Ca 0.00 0.00 -0.02 0.00 -0.05 0.00 0.00 57.45 57.38 2nn4 n PHE 20 Cb 0.01 0.00 -0.00 0.00 -0.94 0.00 0.00 39.48 38.55 2nn4 n PHE 20 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nn4 n GLY 21 N 0.46 0.32 3.15 1.37 0.00 -1.26 -5.01 105.19 104.21 2nn4 n GLY 21 Ca 0.03 -0.82 0.04 0.00 0.00 0.00 0.00 46.02 45.26 2nn4 n GLY 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2nn4 s ASP 22 N -2.91 -1.37 0.16 1.61 -1.08 -1.26 -5.08 116.67 106.74 2nn4 s ASP 22 Ca 0.00 0.73 -0.24 0.00 -0.52 0.00 0.00 52.55 52.52 2nn4 s ASP 22 Cb 0.00 2.10 0.03 0.00 -1.46 0.00 0.00 42.92 43.59 2nn4 s ASP 22 CO 0.00 -0.26 1.60 -0.09 0.52 0.00 0.00 175.17 176.95 2nn4 h ARG 23 N 7.99 -0.28 -0.25 4.34 9.65 -1.99 -1.74 114.38 132.10 2nn4 h ARG 23 Ca -0.19 0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.69 2nn4 h ARG 23 Cb 1.17 0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.80 2nn4 h ARG 23 CO 0.22 -0.19 0.06 1.05 2.80 0.00 0.00 179.97 183.92 2nn4 h GLU 24 N -0.29 0.36 0.01 0.20 -0.00 -1.98 -0.03 114.58 112.86 2nn4 h GLU 24 Ca 0.15 -0.05 -0.19 0.00 -0.00 0.00 0.00 59.36 59.27 2nn4 h GLU 24 Cb 0.53 -0.07 -0.02 0.00 -0.00 0.00 0.00 28.75 29.19 2nn4 h GLU 24 CO -0.47 0.34 -0.89 -0.07 -0.00 0.00 0.00 179.01 177.91 2nn4 h LEU 25 N 0.36 0.12 -0.30 3.06 4.07 -1.91 -2.32 115.31 118.38 2nn4 h LEU 25 Ca 0.09 -0.10 -0.19 0.00 0.08 0.00 0.00 57.88 57.75 2nn4 h LEU 25 Cb 0.14 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.84 2nn4 h LEU 25 CO -0.00 0.95 -0.64 -0.33 -1.08 0.00 0.00 178.44 177.34 2nn4 h GLU 26 N 0.04 0.76 -0.68 1.13 5.08 -0.71 -1.59 114.58 118.61 2nn4 h GLU 26 Ca -0.03 -0.54 -0.05 0.00 -1.00 0.00 0.00 59.36 57.75 2nn4 h GLU 26 Cb 1.55 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.85 2nn4 h GLU 26 CO 0.13 1.16 0.23 0.82 -1.00 0.00 0.00 179.01 180.34 2nn4 h ILE 27 N 0.56 1.24 -0.59 3.13 2.04 -1.01 -0.14 117.51 122.74 2nn4 h ILE 27 Ca -0.01 -0.81 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 2nn4 h ILE 27 Cb 1.24 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.77 2nn4 h ILE 27 CO 0.13 0.32 0.28 -0.33 0.00 0.00 0.00 178.15 178.55 2nn4 h GLU 28 N 0.99 0.86 -0.48 2.37 4.39 -1.19 -1.70 114.58 119.83 2nn4 h GLU 28 Ca 0.22 -0.13 -0.11 0.00 0.34 0.00 0.00 59.36 59.68 2nn4 h GLU 28 Cb 0.25 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2nn4 h GLU 28 CO -0.01 0.71 -0.12 0.35 -1.16 0.00 0.00 179.01 178.77 2nn4 h PHE 29 N 0.81 1.05 -0.77 4.33 3.57 -0.83 -2.64 116.94 122.46 2nn4 h PHE 29 Ca 0.20 -0.23 0.05 0.00 3.53 0.00 0.00 57.97 61.53 2nn4 h PHE 29 Cb 0.14 -0.26 -0.05 0.00 2.79 0.00 0.00 35.95 38.57 2nn4 h PHE 29 CO 0.00 1.01 0.51 0.52 -2.23 0.00 0.00 178.31 178.12 2nn4 h MET 30 N 0.78 0.84 -0.62 1.11 2.86 -0.75 -0.75 114.93 118.40 2nn4 h MET 30 Ca 0.12 -0.05 -0.04 0.00 -2.06 0.00 0.00 59.70 57.67 2nn4 h MET 30 Cb 0.68 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 2nn4 h MET 30 CO 0.05 0.55 0.21 -0.07 1.06 0.00 0.00 176.91 178.72 2nn4 h LEU 31 N 0.86 0.88 -0.48 1.22 3.38 -0.97 -0.87 115.31 119.33 2nn4 h LEU 31 Ca 0.32 -0.19 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 2nn4 h LEU 31 Cb 0.18 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2nn4 h LEU 31 CO -0.11 0.84 -0.01 0.44 0.09 0.00 0.00 178.44 179.70 2nn4 h ASP 32 N 0.88 0.84 -0.77 -0.43 5.19 -1.07 -1.20 116.42 119.86 2nn4 h ASP 32 Ca 0.20 -0.31 -0.03 0.00 -0.62 0.00 0.00 57.03 56.27 2nn4 h ASP 32 Cb 0.26 -0.23 -0.04 0.00 0.18 0.00 0.00 39.33 39.51 2nn4 h ASP 32 CO -0.01 0.95 0.35 -0.33 -3.12 0.00 0.00 179.24 177.08 2nn4 h GLU 33 N 0.71 1.13 -0.58 3.56 4.39 -0.97 0.51 114.58 123.34 2nn4 h GLU 33 Ca 0.14 -0.17 -0.10 0.00 0.34 0.00 0.00 59.36 59.56 2nn4 h GLU 33 Cb 0.52 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2nn4 h GLU 33 CO 0.03 0.89 -0.04 -0.07 -1.16 0.00 0.00 179.01 178.65 2nn4 h LEU 34 N 1.12 1.03 -0.93 1.33 3.38 -0.84 0.43 115.31 120.84 2nn4 h LEU 34 Ca 0.27 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.83 2nn4 h LEU 34 Cb 0.15 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2nn4 h LEU 34 CO -0.03 1.10 -0.22 0.50 0.09 0.00 0.00 178.44 179.88 2nn4 h LYS 35 N 0.94 0.52 -0.20 1.13 3.64 -0.84 -1.53 116.57 120.24 2nn4 h LYS 35 Ca 0.16 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.34 2nn4 h LYS 35 Cb 0.60 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.37 2nn4 h LYS 35 CO 0.04 0.72 0.10 0.93 -2.27 0.00 0.00 179.45 178.96 2nn4 h GLU 36 N 0.47 0.28 0.32 1.90 4.39 -0.29 -1.04 114.58 120.62 2nn4 h GLU 36 Ca 0.07 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.72 2nn4 h GLU 36 Cb 0.64 -0.05 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 2nn4 h GLU 36 CO 0.05 0.29 -0.17 -0.07 -1.16 0.00 0.00 179.01 177.95 2nn4 h LEU 37 N 0.20 -0.41 -1.30 1.33 3.38 -0.70 -1.96 115.31 115.84 2nn4 h LEU 37 Ca 0.07 0.02 0.11 0.00 0.09 0.00 0.00 57.88 58.17 2nn4 h LEU 37 Cb 0.10 0.12 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 2nn4 h LEU 37 CO -0.01 -0.28 0.55 0.22 0.09 0.00 0.00 178.44 179.01 2nn4 h TYR 38 N -0.46 0.82 -0.24 1.13 3.20 -1.18 0.19 116.97 120.43 2nn4 h TYR 38 Ca -0.04 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.75 2nn4 h TYR 38 Cb 0.36 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.36 2nn4 h TYR 38 CO -0.07 0.35 -0.27 0.52 -1.64 0.00 0.00 178.16 177.05 2nn4 h MET 39 N 0.74 0.48 -0.35 1.82 2.86 -0.87 -2.15 114.93 117.44 2nn4 h MET 39 Ca 0.40 -0.19 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 2nn4 h MET 39 Cb 0.55 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.19 2nn4 h MET 39 CO -0.17 0.71 0.00 0.09 1.06 0.00 0.00 176.91 178.60 2nn4 n ASN 40 N -4.11 1.75 -3.14 1.22 3.02 -0.08 -4.90 115.26 109.02 2nn4 n ASN 40 Ca -0.01 -2.04 -0.23 0.00 -0.03 0.00 0.00 54.58 52.28 2nn4 n ASN 40 Cb 0.42 -0.24 0.04 0.00 -0.61 0.00 0.00 39.78 39.39 2nn4 n ASN 40 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2nn4 n HIS 41 N 0.38 -2.08 1.01 3.10 8.25 -0.58 -4.90 115.22 120.39 2nn4 n HIS 41 Ca 0.10 0.59 0.11 0.00 -0.26 0.00 0.00 57.72 58.26 2nn4 n HIS 41 Cb 0.29 -4.45 -0.04 0.00 1.12 0.00 0.00 29.99 26.91 2nn4 n HIS 41 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2nn4 n MET 42 N -4.15 0.37 -3.99 -0.41 2.81 -0.42 -4.90 117.12 106.42 2nn4 n MET 42 Ca -0.09 -0.30 -0.11 0.00 -1.81 0.00 0.00 57.70 55.40 2nn4 n MET 42 Cb 0.61 -1.49 -0.12 0.00 -0.71 0.00 0.00 33.22 31.50 2nn4 n MET 42 CO 0.00 0.00 0.00 0.96 1.51 0.00 0.00 175.97 178.44 2nn4 s ILE 43 N -2.84 0.19 0.82 2.02 -4.36 -1.26 -4.96 121.20 110.82 2nn4 s ILE 43 Ca 0.12 -0.68 -0.11 0.00 -0.26 0.00 0.00 60.65 59.72 2nn4 s ILE 43 Cb 0.17 -0.28 0.09 0.00 1.25 0.00 0.00 42.46 43.68 2nn4 s ILE 43 CO 0.76 -0.31 1.09 -1.61 0.24 0.00 0.00 174.94 175.11 2nn4 s GLU 44 N -1.05 1.86 0.38 0.37 8.01 -1.26 -4.60 118.70 122.41 2nn4 s GLU 44 Ca -0.10 1.09 0.09 0.00 0.01 0.00 0.00 54.97 56.06 2nn4 s GLU 44 Cb -0.07 -1.86 0.75 0.00 -4.31 0.00 0.00 34.13 28.64 2nn4 s GLU 44 CO -0.00 -1.90 1.89 1.57 0.01 0.00 0.00 175.26 176.83 2nn4 h LYS 45 N -1.31 0.24 0.14 1.61 2.10 -1.98 -1.22 116.57 116.14 2nn4 h LYS 45 Ca -0.45 -0.06 -0.01 0.00 -2.00 0.00 0.00 60.65 58.13 2nn4 h LYS 45 Cb 1.25 -0.03 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 2nn4 h LYS 45 CO 0.52 0.40 -0.07 0.93 -2.00 0.00 0.00 179.45 179.23 2nn4 h GLU 46 N 0.22 -0.19 -0.59 0.07 3.07 -1.99 0.16 114.58 115.33 2nn4 h GLU 46 Ca 0.04 0.01 0.10 0.00 -0.50 0.00 0.00 59.36 59.01 2nn4 h GLU 46 Cb 0.42 0.04 -0.07 0.00 -0.84 0.00 0.00 28.75 28.30 2nn4 h GLU 46 CO 0.03 0.11 0.19 1.96 -1.40 0.00 0.00 179.01 179.90 2nn4 h GLN 47 N -0.49 0.34 -0.00 2.33 4.20 -1.87 -0.67 115.11 118.93 2nn4 h GLN 47 Ca -0.02 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 2nn4 h GLN 47 Cb 0.39 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 2nn4 h GLN 47 CO 0.03 0.22 0.00 2.35 -0.67 0.00 0.00 178.83 180.77 2nn4 h TRP 48 N 0.35 0.01 -0.69 2.96 -0.00 -1.18 0.97 115.95 118.36 2nn4 h TRP 48 Ca 0.30 -0.00 0.03 0.00 -0.00 0.00 0.00 58.89 59.22 2nn4 h TRP 48 Cb 0.39 -0.00 -0.04 0.00 -0.00 0.00 0.00 29.16 29.51 2nn4 h TRP 48 CO -0.19 0.27 0.43 0.00 -0.00 0.00 0.00 178.44 178.94 2nn4 h ALA 49 N 0.74 0.90 -0.38 2.65 0.00 -0.71 -1.20 119.26 121.27 2nn4 h ALA 49 Ca 0.00 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 2nn4 h ALA 49 Cb 0.26 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 2nn4 h ALA 49 CO 0.00 0.20 -0.17 -0.09 0.00 0.00 0.00 179.25 179.19 2nn4 h ARG 50 N 0.84 0.78 -0.48 0.00 9.65 -1.05 -2.01 114.38 122.12 2nn4 h ARG 50 Ca 0.28 -0.34 -0.13 0.00 -1.10 0.00 0.00 59.98 58.70 2nn4 h ARG 50 Cb 0.02 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.56 2nn4 h ARG 50 CO -0.11 0.96 -0.20 0.00 2.80 0.00 0.00 179.97 183.42 2nn4 h ALA 51 N 0.81 0.75 -0.63 2.80 0.00 -0.64 -1.03 119.26 121.31 2nn4 h ALA 51 Ca 0.09 -0.38 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 2nn4 h ALA 51 Cb 0.71 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2nn4 h ALA 51 CO 0.05 0.67 0.08 0.00 0.00 0.00 0.00 179.25 180.05 2nn4 h ALA 52 N 0.93 0.85 -0.44 0.00 0.00 -1.24 -1.81 119.26 117.56 2nn4 h ALA 52 Ca 0.11 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2nn4 h ALA 52 Cb 0.76 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2nn4 h ALA 52 CO 0.06 0.63 -0.03 0.00 0.00 0.00 0.00 179.25 179.91 2nn4 h ALA 53 N 1.02 0.59 -0.75 0.00 0.00 -1.17 -0.39 119.26 118.58 2nn4 h ALA 53 Ca 0.19 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2nn4 h ALA 53 Cb 0.47 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2nn4 h ALA 53 CO 0.02 0.41 0.48 0.28 0.00 0.00 0.00 179.25 180.43 2nn4 h VAL 54 N 0.63 1.20 -0.15 0.00 2.07 -1.04 -1.64 116.25 117.32 2nn4 h VAL 54 Ca 0.12 -0.40 -0.19 0.00 0.82 0.00 0.00 66.70 67.05 2nn4 h VAL 54 Cb 0.54 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2nn4 h VAL 54 CO 0.03 0.20 -0.66 -0.07 0.02 0.00 0.00 177.57 177.09 2nn4 h LEU 55 N 1.02 0.69 -1.42 2.57 3.38 -1.00 -1.02 115.31 119.53 2nn4 h LEU 55 Ca 0.27 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2nn4 h LEU 55 Cb -0.08 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 2nn4 h LEU 55 CO -0.06 1.16 -0.21 0.03 0.09 0.00 0.00 178.44 179.46 2nn4 h ARG 56 N 0.43 0.00 0.24 1.13 3.08 -0.63 0.36 114.38 118.99 2nn4 h ARG 56 Ca -0.02 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.72 2nn4 h ARG 56 Cb 1.24 0.00 0.04 0.00 0.08 0.00 0.00 29.97 31.33 2nn4 h ARG 56 CO 0.13 0.21 -1.38 -0.22 -1.07 0.00 0.00 179.97 177.63 2nn4 h LYS 57 N 0.00 0.51 -0.77 0.04 3.64 -1.20 -2.66 116.57 116.13 2nn4 h LYS 57 Ca -0.00 -0.87 0.01 0.00 -1.27 0.00 0.00 60.65 58.52 2nn4 h LYS 57 Cb 0.60 0.33 -0.04 0.00 -0.41 0.00 0.00 32.23 32.70 2nn4 h LYS 57 CO 0.03 1.42 0.50 0.93 -2.27 0.00 0.00 179.45 180.06 2nn4 h GLU 58 N 0.07 0.99 -0.34 1.90 4.39 -0.48 -1.49 114.58 119.61 2nn4 h GLU 58 Ca -0.24 -0.06 -0.11 0.00 0.34 0.00 0.00 59.36 59.29 2nn4 h GLU 58 Cb 2.10 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 30.51 2nn4 h GLU 58 CO 0.26 0.65 -0.24 1.25 -1.16 0.00 0.00 179.01 179.77 2nn4 h LEU 59 N 1.02 0.69 -0.80 1.33 5.85 -0.33 -2.74 115.31 120.31 2nn4 h LEU 59 Ca 0.29 -0.24 -0.12 0.00 0.84 0.00 0.00 57.88 58.64 2nn4 h LEU 59 Cb -0.09 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.74 2nn4 h LEU 59 CO -0.07 0.91 -0.59 -0.08 -0.34 0.00 0.00 178.44 178.26 2nn4 h GLU 60 N 0.59 0.00 -0.08 1.25 4.57 -1.08 -3.22 114.58 116.61 2nn4 h GLU 60 Ca 0.08 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 58.03 2nn4 h GLU 60 Cb 0.72 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 29.32 2nn4 h GLU 60 CO 0.06 0.59 -0.87 1.96 -1.18 0.00 0.00 179.01 179.57 2nn4 h GLN 61 N 0.00 0.67 -0.02 1.92 4.20 -1.12 -3.51 115.11 117.25 2nn4 h GLN 61 Ca -0.01 -0.61 0.00 0.00 0.06 0.00 0.00 58.65 58.10 2nn4 h GLN 61 Cb 1.06 0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2nn4 h GLN 61 CO 0.08 1.22 0.00 0.25 -0.67 0.00 0.00 178.83 179.70