#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 3.93 -4.53 -1.43 3.02 -1.26 -4.94 115.26 110.05 2nn4 n ASN 2 Ca 0.00 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.27 2nn4 n ASN 2 Cb 0.00 0.18 -0.09 0.00 -0.61 0.00 0.00 39.78 39.26 2nn4 n ASN 2 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2nn4 s THR 3 N -1.89 1.28 0.26 3.41 -4.23 -1.26 -4.94 115.64 108.27 2nn4 s THR 3 Ca 0.00 -2.00 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 2nn4 s THR 3 Cb 0.00 -2.56 0.25 0.00 1.34 0.00 0.00 72.50 71.54 2nn4 s THR 3 CO 0.00 0.00 1.87 0.15 -0.54 0.00 0.00 174.62 176.10 2nn4 h PHE 4 N 1.71 1.14 -0.58 3.99 3.57 -2.00 -2.00 116.94 122.77 2nn4 h PHE 4 Ca -0.42 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.12 2nn4 h PHE 4 Cb 1.27 -0.37 -0.03 0.00 2.79 0.00 0.00 35.95 39.61 2nn4 h PHE 4 CO 1.11 0.59 0.38 -0.92 -2.23 0.00 0.00 178.31 177.24 2nn4 h TYR 5 N 1.12 0.73 -0.62 0.41 3.20 -1.99 -1.02 116.97 118.79 2nn4 h TYR 5 Ca 0.42 0.02 0.01 0.00 3.14 0.00 0.00 58.73 62.32 2nn4 h TYR 5 Cb 0.17 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.16 2nn4 h TYR 5 CO -0.01 0.45 0.40 -0.44 -1.64 0.00 0.00 178.16 176.92 2nn4 h ASP 6 N 0.78 0.68 -0.44 -2.11 3.32 -1.77 -1.66 116.42 115.22 2nn4 h ASP 6 Ca 0.22 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 2nn4 h ASP 6 Cb -0.08 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.28 2nn4 h ASP 6 CO -0.05 0.48 0.11 0.58 -1.72 0.00 0.00 179.24 178.64 2nn4 h VAL 7 N 0.81 1.22 -0.95 -1.35 2.07 -1.18 -1.70 116.25 115.17 2nn4 h VAL 7 Ca 0.23 -0.82 0.03 0.00 0.82 0.00 0.00 66.70 66.97 2nn4 h VAL 7 Cb -0.06 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 2nn4 h VAL 7 CO -0.07 0.30 0.62 1.56 0.02 0.00 0.00 177.57 180.00 2nn4 h GLN 8 N 0.75 1.18 -0.14 1.57 4.20 -0.31 -1.38 115.11 120.99 2nn4 h GLN 8 Ca 0.16 -0.07 -0.14 0.00 0.06 0.00 0.00 58.65 58.66 2nn4 h GLN 8 Cb 0.30 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.81 2nn4 h GLN 8 CO 0.00 0.78 -0.53 1.96 -0.67 0.00 0.00 178.83 180.37 2nn4 h GLN 9 N 1.22 0.39 0.24 1.46 1.08 -0.62 -0.48 115.11 118.40 2nn4 h GLN 9 Ca 0.37 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 57.32 2nn4 h GLN 9 Cb -0.03 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.42 2nn4 h GLN 9 CO -0.11 0.82 -0.12 1.25 -0.95 0.00 0.00 178.83 179.72 2nn4 h LEU 10 N 0.30 -0.28 -1.47 1.46 5.85 -0.73 -2.51 115.31 117.93 2nn4 h LEU 10 Ca 0.01 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 2nn4 h LEU 10 Cb 1.03 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 2nn4 h LEU 10 CO 0.09 -0.12 -0.16 -0.07 -0.34 0.00 0.00 178.44 177.84 2nn4 h LEU 11 N -0.42 0.00 -1.05 2.25 3.38 -1.22 -2.42 115.31 115.82 2nn4 h LEU 11 Ca -0.03 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.84 2nn4 h LEU 11 Cb 0.32 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 2nn4 h LEU 11 CO 0.06 0.16 -0.45 0.50 0.09 0.00 0.00 178.44 178.79 2nn4 h LYS 12 N 0.00 0.04 0.00 1.13 3.64 -0.84 -1.58 116.57 118.97 2nn4 h LYS 12 Ca -0.00 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.34 2nn4 h LYS 12 Cb 0.57 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 2nn4 h LYS 12 CO 0.02 0.49 -0.10 1.15 -2.27 0.00 0.00 179.45 178.74 2nn4 h THR 13 N 0.04 0.74 -0.48 1.00 2.02 -1.00 -1.76 112.91 113.46 2nn4 h THR 13 Ca -0.00 -0.41 0.00 0.00 0.77 0.00 0.00 66.41 66.77 2nn4 h THR 13 Cb 0.82 1.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.47 2nn4 h THR 13 CO 0.06 0.10 0.00 0.49 0.37 0.00 0.00 175.52 176.54 2nn4 n PHE 14 N -3.93 1.48 0.00 3.16 3.72 -0.72 -4.97 117.46 116.20 2nn4 n PHE 14 Ca -0.02 -0.73 0.00 0.00 -0.05 0.00 0.00 57.45 56.65 2nn4 n PHE 14 Cb 0.20 -0.35 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 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 0.41 1.27 3.48 1.37 0.00 -0.66 -5.04 105.19 106.01 2nn4 n GLY 15 Ca 0.24 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 2nn4 n GLY 15 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2nn4 s HIS 16 N -2.42 2.96 -0.48 1.61 3.76 -0.67 -4.96 115.29 115.08 2nn4 s HIS 16 Ca 0.00 -0.31 0.04 0.00 -0.15 0.00 0.00 55.06 54.64 2nn4 s HIS 16 Cb 0.00 -3.72 0.12 0.00 1.11 0.00 0.00 32.58 30.10 2nn4 s HIS 16 CO 0.00 -1.14 0.22 0.96 -0.85 0.00 0.00 174.74 173.94 2nn4 s ILE 17 N 3.12 2.48 0.15 0.60 -4.36 -1.26 -3.76 121.20 118.18 2nn4 s ILE 17 Ca 0.21 -3.12 0.08 0.00 -0.26 0.00 0.00 60.65 57.56 2nn4 s ILE 17 Cb -0.16 -2.74 -0.04 0.00 1.25 0.00 0.00 42.46 40.76 2nn4 s ILE 17 CO 0.15 -0.77 -0.06 0.68 0.24 0.00 0.00 174.94 175.18 2nn4 s VAL 18 N -0.05 3.44 -0.29 8.37 -7.23 -1.26 -5.09 120.40 118.28 2nn4 s VAL 18 Ca 0.16 -1.45 0.02 0.00 -1.81 0.00 0.00 61.98 58.89 2nn4 s VAL 18 Cb -0.25 -2.68 0.18 0.00 0.56 0.00 0.00 36.38 34.19 2nn4 s VAL 18 CO -0.02 -0.04 0.55 -0.47 -0.31 0.00 0.00 175.10 174.82 2nn4 s TYR 19 N -1.56 -1.56 -1.30 2.82 5.04 -1.26 -5.03 117.35 114.50 2nn4 s TYR 19 Ca 0.25 1.27 0.22 0.00 -2.44 0.00 0.00 57.07 56.36 2nn4 s TYR 19 Cb -0.10 0.35 -0.15 0.00 0.35 0.00 0.00 41.96 42.41 2nn4 s TYR 19 CO 0.16 -0.95 0.96 1.19 -1.34 0.00 0.00 175.55 175.58 2nn4 n PHE 20 N 5.41 0.00 -0.60 4.97 3.72 -1.26 -4.96 117.46 124.74 2nn4 n PHE 20 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 2nn4 n PHE 20 Cb 0.52 -0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.05 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 1.48 0.68 2.86 1.37 0.00 -1.26 -5.02 105.19 105.30 2nn4 n GLY 21 Ca 0.06 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.14 0.81 0.22 1.61 -1.08 -1.26 -5.06 116.67 109.77 2nn4 s ASP 22 Ca 0.00 0.11 -0.09 0.00 -0.52 0.00 0.00 52.55 52.05 2nn4 s ASP 22 Cb 0.00 0.67 0.20 0.00 -1.46 0.00 0.00 42.92 42.33 2nn4 s ASP 22 CO 0.00 -0.30 1.89 -0.09 0.52 0.00 0.00 175.17 177.19 2nn4 h ARG 23 N 8.27 1.07 -0.70 4.34 9.65 -1.99 -1.52 114.38 133.50 2nn4 h ARG 23 Ca -0.17 -0.06 -0.00 0.00 -1.10 0.00 0.00 59.98 58.65 2nn4 h ARG 23 Cb 1.14 -0.24 -0.03 0.00 -1.39 0.00 0.00 29.97 29.45 2nn4 h ARG 23 CO 0.24 0.71 0.44 1.49 2.80 0.00 0.00 179.97 185.65 2nn4 h GLU 24 N 1.10 0.94 -0.09 0.20 4.81 -1.97 -0.16 114.58 119.42 2nn4 h GLU 24 Ca 0.31 -0.08 -0.19 0.00 -0.13 0.00 0.00 59.36 59.27 2nn4 h GLU 24 Cb -0.10 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 29.07 2nn4 h GLU 24 CO -0.08 0.65 -0.75 -0.07 -0.73 0.00 0.00 179.01 178.04 2nn4 h LEU 25 N 0.95 0.55 -0.59 1.64 3.38 -1.96 -2.12 115.31 117.16 2nn4 h LEU 25 Ca 0.25 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 2nn4 h LEU 25 Cb -0.06 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 2nn4 h LEU 25 CO -0.05 1.11 0.10 -0.33 0.09 0.00 0.00 178.44 179.37 2nn4 h GLU 26 N 0.31 0.97 -0.61 1.13 5.08 -1.02 -1.77 114.58 118.67 2nn4 h GLU 26 Ca -0.04 -0.26 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 2nn4 h GLU 26 Cb 1.33 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 30.44 2nn4 h GLU 26 CO 0.13 0.92 0.22 0.82 -1.00 0.00 0.00 179.01 180.10 2nn4 h ILE 27 N 0.87 1.24 -0.77 3.13 2.04 -0.95 0.21 117.51 123.28 2nn4 h ILE 27 Ca 0.18 -0.78 -0.04 0.00 1.00 0.00 0.00 64.86 65.22 2nn4 h ILE 27 Cb 0.41 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.05 2nn4 h ILE 27 CO 0.01 0.30 0.32 -0.33 0.00 0.00 0.00 178.15 178.45 2nn4 h GLU 28 N 0.87 1.15 0.43 2.37 5.08 -1.23 0.36 114.58 123.62 2nn4 h GLU 28 Ca 0.20 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2nn4 h GLU 28 Cb 0.25 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2nn4 h GLU 28 CO -0.01 0.93 -0.21 0.35 -1.00 0.00 0.00 179.01 179.07 2nn4 h PHE 29 N 1.12 -0.54 -0.91 4.33 3.57 -1.02 -2.11 116.94 121.38 2nn4 h PHE 29 Ca 0.26 -0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.92 2nn4 h PHE 29 Cb 0.20 0.18 -0.10 0.00 2.79 0.00 0.00 35.95 39.01 2nn4 h PHE 29 CO 0.02 -0.28 0.49 0.52 -2.23 0.00 0.00 178.31 176.83 2nn4 h MET 30 N -0.70 0.61 -0.59 1.11 2.86 -0.66 0.33 114.93 117.89 2nn4 h MET 30 Ca -0.06 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.48 2nn4 h MET 30 Cb 0.51 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 2nn4 h MET 30 CO 0.10 0.40 0.11 -0.07 1.06 0.00 0.00 176.91 178.52 2nn4 h LEU 31 N 0.63 0.89 -0.33 1.22 3.38 -0.72 -0.56 115.31 119.82 2nn4 h LEU 31 Ca 0.52 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 58.27 2nn4 h LEU 31 Cb 0.81 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2nn4 h LEU 31 CO -0.40 0.89 0.06 0.44 0.09 0.00 0.00 178.44 179.52 2nn4 h ASP 32 N 0.90 0.51 -0.82 -0.43 3.32 -0.30 -2.12 116.42 117.48 2nn4 h ASP 32 Ca 0.19 -0.25 -0.02 0.00 0.02 0.00 0.00 57.03 56.96 2nn4 h ASP 32 Cb 0.37 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.74 2nn4 h ASP 32 CO 0.01 0.63 0.43 -0.33 -1.72 0.00 0.00 179.24 178.26 2nn4 h GLU 33 N 0.38 1.17 -0.48 3.56 4.39 -0.84 -1.18 114.58 121.58 2nn4 h GLU 33 Ca 0.10 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 59.58 2nn4 h GLU 33 Cb 0.33 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2nn4 h GLU 33 CO 0.00 0.88 0.01 -0.07 -1.16 0.00 0.00 179.01 178.67 2nn4 h LEU 34 N 1.17 0.82 -0.64 1.33 3.38 -0.98 -1.00 115.31 119.40 2nn4 h LEU 34 Ca 0.29 -0.30 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2nn4 h LEU 34 Cb 0.07 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2nn4 h LEU 34 CO -0.04 0.92 0.23 0.50 0.09 0.00 0.00 178.44 180.14 2nn4 h LYS 35 N 0.70 0.98 -0.45 1.13 3.64 -1.17 -0.60 116.57 120.80 2nn4 h LYS 35 Ca 0.14 -0.19 -0.04 0.00 -1.27 0.00 0.00 60.65 59.28 2nn4 h LYS 35 Cb 0.49 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2nn4 h LYS 35 CO 0.02 0.84 0.11 0.93 -2.27 0.00 0.00 179.45 179.08 2nn4 h GLU 36 N 0.91 0.72 -0.25 1.90 4.39 -1.01 0.13 114.58 121.38 2nn4 h GLU 36 Ca 0.21 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 59.75 2nn4 h GLU 36 Cb 0.24 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2nn4 h GLU 36 CO -0.01 0.72 0.13 -0.07 -1.16 0.00 0.00 179.01 178.62 2nn4 h LEU 37 N 0.60 0.21 -0.40 1.33 3.38 -0.93 -0.22 115.31 119.28 2nn4 h LEU 37 Ca 0.14 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2nn4 h LEU 37 Cb 0.32 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.01 2nn4 h LEU 37 CO 0.00 0.16 0.12 0.22 0.09 0.00 0.00 178.44 179.03 2nn4 h TYR 38 N 0.28 0.64 -0.46 1.13 3.20 -0.90 -0.07 116.97 120.80 2nn4 h TYR 38 Ca 0.10 -0.07 0.04 0.00 3.14 0.00 0.00 58.73 61.94 2nn4 h TYR 38 Cb 0.01 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 2nn4 h TYR 38 CO -0.08 0.60 0.31 0.52 -1.64 0.00 0.00 178.16 177.86 2nn4 h MET 39 N 0.49 0.47 -0.49 1.82 2.86 -0.45 -0.52 114.93 119.11 2nn4 h MET 39 Ca 0.13 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 2nn4 h MET 39 Cb 0.27 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.82 2nn4 h MET 39 CO -0.00 0.31 0.00 0.09 1.06 0.00 0.00 176.91 178.37 2nn4 n ASN 40 N -4.48 2.43 -1.89 1.22 3.02 -0.12 -4.92 115.26 110.52 2nn4 n ASN 40 Ca 0.05 -2.13 -0.19 0.00 -0.03 0.00 0.00 54.58 52.28 2nn4 n ASN 40 Cb 0.17 -0.35 -0.04 0.00 -0.61 0.00 0.00 39.78 38.95 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 0.54 -0.53 1.22 3.10 8.25 -0.20 -4.89 115.22 122.70 2nn4 n HIS 41 Ca 0.13 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.72 2nn4 n HIS 41 Cb 0.44 -3.53 0.30 0.00 1.12 0.00 0.00 29.99 28.32 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 -2.68 1.16 -3.78 -0.41 2.81 -0.09 -4.86 117.12 109.28 2nn4 n MET 42 Ca -0.21 -0.78 -0.13 0.00 -1.81 0.00 0.00 57.70 54.77 2nn4 n MET 42 Cb 0.65 -1.48 -0.11 0.00 -0.71 0.00 0.00 33.22 31.57 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 -2.38 0.02 0.67 2.02 -4.36 -1.25 -4.97 121.20 110.95 2nn4 s ILE 43 Ca 0.26 -0.12 -0.15 0.00 -0.26 0.00 0.00 60.65 60.38 2nn4 s ILE 43 Cb 0.19 -0.44 0.01 0.00 1.25 0.00 0.00 42.46 43.47 2nn4 s ILE 43 CO 0.48 -0.07 1.12 -1.61 0.24 0.00 0.00 174.94 175.10 2nn4 s GLU 44 N -0.19 2.69 0.25 0.37 2.02 -1.26 -4.61 118.70 117.97 2nn4 s GLU 44 Ca -0.03 1.42 -0.03 0.00 0.02 0.00 0.00 54.97 56.35 2nn4 s GLU 44 Cb -0.03 -1.93 0.45 0.00 0.10 0.00 0.00 34.13 32.72 2nn4 s GLU 44 CO 0.01 -1.34 1.80 -0.22 0.02 0.00 0.00 175.26 175.53 2nn4 h LYS 45 N -0.08 0.74 -0.80 1.61 3.64 -1.99 -1.57 116.57 118.13 2nn4 h LYS 45 Ca -0.47 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 58.86 2nn4 h LYS 45 Cb 1.25 -0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.86 2nn4 h LYS 45 CO 0.53 0.49 0.46 0.93 -2.27 0.00 0.00 179.45 179.59 2nn4 h GLU 46 N 0.76 1.09 -0.10 1.90 3.07 -1.99 0.48 114.58 119.79 2nn4 h GLU 46 Ca 0.43 -0.11 -0.23 0.00 -0.50 0.00 0.00 59.36 58.94 2nn4 h GLU 46 Cb 0.46 -0.22 0.01 0.00 -0.84 0.00 0.00 28.75 28.16 2nn4 h GLU 46 CO -0.28 0.79 -0.84 1.96 -1.40 0.00 0.00 179.01 179.23 2nn4 h GLN 47 N 1.11 0.76 -0.36 2.33 4.20 -1.72 -2.26 115.11 119.16 2nn4 h GLN 47 Ca 0.28 -0.67 -0.07 0.00 0.06 0.00 0.00 58.65 58.25 2nn4 h GLN 47 Cb -0.01 0.16 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2nn4 h GLN 47 CO -0.05 1.27 -0.03 2.35 -0.67 0.00 0.00 178.83 181.70 2nn4 h TRP 48 N 0.47 0.72 -0.73 2.96 7.01 -1.09 0.14 115.95 125.44 2nn4 h TRP 48 Ca -0.08 -0.14 -0.00 0.00 2.11 0.00 0.00 58.89 60.78 2nn4 h TRP 48 Cb 1.48 -0.18 -0.04 0.00 -2.10 0.00 0.00 29.16 28.32 2nn4 h TRP 48 CO 0.09 0.78 0.44 0.00 -2.79 0.00 0.00 178.44 176.97 2nn4 h ALA 49 N 0.85 0.92 -0.35 2.65 0.00 -0.93 -0.51 119.26 121.89 2nn4 h ALA 49 Ca 0.10 -0.08 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 2nn4 h ALA 49 Cb 0.51 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2nn4 h ALA 49 CO 0.03 0.39 -0.43 -0.09 0.00 0.00 0.00 179.25 179.14 2nn4 h ARG 50 N 0.99 0.90 -0.33 0.00 9.65 -1.28 -2.10 114.38 122.21 2nn4 h ARG 50 Ca 0.26 -0.50 -0.02 0.00 -1.10 0.00 0.00 59.98 58.62 2nn4 h ARG 50 Cb -0.04 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.55 2nn4 h ARG 50 CO -0.05 1.15 0.12 0.00 2.80 0.00 0.00 179.97 183.99 2nn4 h ALA 51 N 0.77 0.43 -0.65 2.80 0.00 -0.34 -0.93 119.26 121.34 2nn4 h ALA 51 Ca 0.05 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2nn4 h ALA 51 Cb 1.03 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.66 2nn4 h ALA 51 CO 0.10 0.05 0.19 0.00 0.00 0.00 0.00 179.25 179.59 2nn4 h ALA 52 N 0.96 0.85 -0.30 0.00 0.00 -1.11 -1.81 119.26 117.85 2nn4 h ALA 52 Ca 0.11 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2nn4 h ALA 52 Cb 0.21 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2nn4 h ALA 52 CO -0.01 0.54 0.15 0.00 0.00 0.00 0.00 179.25 179.93 2nn4 h ALA 53 N 1.07 0.36 -0.76 0.00 0.00 -1.17 0.69 119.26 119.46 2nn4 h ALA 53 Ca 0.21 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2nn4 h ALA 53 Cb 0.32 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 2nn4 h ALA 53 CO -0.00 -0.24 0.47 0.28 0.00 0.00 0.00 179.25 179.76 2nn4 h VAL 54 N 0.31 1.07 -0.21 0.00 2.07 -0.88 -1.75 116.25 116.86 2nn4 h VAL 54 Ca 0.12 -0.31 -0.09 0.00 0.82 0.00 0.00 66.70 67.24 2nn4 h VAL 54 Cb 0.04 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.89 2nn4 h VAL 54 CO -0.08 0.16 -0.27 -0.07 0.02 0.00 0.00 177.57 177.33 2nn4 h LEU 55 N 0.90 0.41 -0.75 2.57 3.38 -0.72 -1.16 115.31 119.94 2nn4 h LEU 55 Ca 0.32 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 2nn4 h LEU 55 Cb 0.07 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 2nn4 h LEU 55 CO -0.13 0.68 -0.06 0.03 0.09 0.00 0.00 178.44 179.05 2nn4 h ARG 56 N 0.36 0.90 -0.22 1.13 2.47 -0.27 -0.94 114.38 117.81 2nn4 h ARG 56 Ca 0.05 -0.29 -0.06 0.00 -1.26 0.00 0.00 59.98 58.43 2nn4 h ARG 56 Cb 0.67 -0.08 -0.01 0.00 -1.65 0.00 0.00 29.97 28.90 2nn4 h ARG 56 CO 0.05 0.93 -0.09 -0.22 0.56 0.00 0.00 179.97 181.20 2nn4 h LYS 57 N 0.82 0.44 -0.84 0.04 3.64 -0.99 -2.34 116.57 117.34 2nn4 h LYS 57 Ca 0.14 -0.18 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 2nn4 h LYS 57 Cb 0.57 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.32 2nn4 h LYS 57 CO 0.03 0.71 0.53 1.49 -2.27 0.00 0.00 179.45 179.95 2nn4 h GLU 58 N 0.15 0.99 -0.81 1.90 4.57 -1.10 -0.30 114.58 119.99 2nn4 h GLU 58 Ca 0.05 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2nn4 h GLU 58 Cb 0.57 -0.22 -0.04 0.00 -0.16 0.00 0.00 28.75 28.90 2nn4 h GLU 58 CO 0.03 0.66 0.42 1.25 -1.18 0.00 0.00 179.01 180.19 2nn4 h LEU 59 N 1.02 1.03 -0.55 1.64 5.85 -1.03 -0.56 115.31 122.71 2nn4 h LEU 59 Ca 0.34 -0.11 -0.13 0.00 0.84 0.00 0.00 57.88 58.82 2nn4 h LEU 59 Cb 0.05 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2nn4 h LEU 59 CO -0.13 0.85 -0.28 -0.08 -0.34 0.00 0.00 178.44 178.46 2nn4 h GLU 60 N 1.14 0.87 0.00 1.25 4.57 -0.82 -3.03 114.58 118.55 2nn4 h GLU 60 Ca 0.28 -0.39 -0.08 0.00 -1.18 0.00 0.00 59.36 57.99 2nn4 h GLU 60 Cb 0.07 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 2nn4 h GLU 60 CO -0.04 1.04 -0.39 1.96 -1.18 0.00 0.00 179.01 180.40 2nn4 h GLN 61 N 0.74 0.00 -0.00 1.92 4.20 -0.49 -3.51 115.11 117.95 2nn4 h GLN 61 Ca 0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2nn4 h GLN 61 Cb 0.84 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.62 2nn4 h GLN 61 CO 0.07 0.39 0.00 0.25 -0.67 0.00 0.00 178.83 178.87