#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k40 n ARG 2 N 0.00 -0.23 -2.36 1.61 1.85 -1.26 -4.87 116.66 111.40 2k40 n ARG 2 Ca 0.00 -0.11 -0.36 0.00 -1.00 0.00 0.00 57.85 56.37 2k40 n ARG 2 Cb 0.00 0.20 -0.02 0.00 -1.05 0.00 0.00 32.46 31.59 2k40 n ARG 2 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 2k40 s ARG 3 N -1.87 3.84 1.19 2.89 0.52 -1.26 -5.05 118.95 119.21 2k40 s ARG 3 Ca 0.00 1.66 -0.20 0.00 -0.52 0.00 0.00 55.73 56.67 2k40 s ARG 3 Cb 0.00 -2.39 0.29 0.00 0.52 0.00 0.00 34.95 33.37 2k40 s ARG 3 CO 0.00 -0.45 1.15 -1.25 0.02 0.00 0.00 175.30 174.77 2k40 s PRO 4 N -2.73 -1.14 -0.63 3.54 0.04 -1.26 -4.87 135.00 127.95 2k40 s PRO 4 Ca 0.63 -0.22 -0.26 0.00 0.04 0.00 0.00 61.00 61.19 2k40 s PRO 4 Cb -0.25 -1.62 -0.11 0.00 0.04 0.00 0.00 34.50 32.55 2k40 s PRO 4 CO 0.31 -3.63 2.44 -2.13 0.04 0.00 0.00 177.00 174.03 2k40 n ARG 5 N -4.67 0.77 -2.54 4.56 0.00 -1.26 -4.92 116.66 108.61 2k40 n ARG 5 Ca 0.15 -0.20 -0.37 0.00 -0.00 0.00 0.00 57.85 57.43 2k40 n ARG 5 Cb 0.60 -3.19 -0.04 0.00 0.00 0.00 0.00 32.46 29.82 2k40 n ARG 5 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.63 178.62 2k40 s THR 6 N 12.01 3.70 0.22 5.15 2.01 -1.26 -5.09 115.64 132.39 2k40 s THR 6 Ca 1.03 1.36 0.04 0.00 0.31 0.00 0.00 61.69 64.43 2k40 s THR 6 Cb -0.31 -3.73 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 2k40 s THR 6 CO 0.26 0.06 -0.03 0.00 -0.69 0.00 0.00 174.62 174.22 2k40 s ALA 7 N -1.58 1.82 0.08 7.40 0.00 -1.26 -4.89 121.76 123.33 2k40 s ALA 7 Ca 0.56 -1.73 0.01 0.00 0.00 0.00 0.00 51.96 50.79 2k40 s ALA 7 Cb -0.23 0.37 -0.00 0.00 0.00 0.00 0.00 23.12 23.25 2k40 s ALA 7 CO 0.29 -0.19 0.03 1.19 0.00 0.00 0.00 175.76 177.08 2k40 n PHE 8 N -0.40 0.00 -2.06 0.00 3.72 -1.26 -5.14 117.46 112.32 2k40 n PHE 8 Ca -0.06 -0.56 -0.38 0.00 -0.05 0.00 0.00 57.45 56.40 2k40 n PHE 8 Cb 0.63 0.01 0.01 0.00 -0.94 0.00 0.00 39.48 39.19 2k40 n PHE 8 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 2k40 s THR 9 N -1.92 2.66 0.51 4.37 -1.32 -1.26 -4.93 115.64 113.75 2k40 s THR 9 Ca 0.05 0.51 0.42 0.00 -1.21 0.00 0.00 61.69 61.46 2k40 s THR 9 Cb 0.00 -3.27 0.43 0.00 -1.51 0.00 0.00 72.50 68.15 2k40 s THR 9 CO 0.03 0.01 2.27 -0.61 -2.21 0.00 0.00 174.62 174.11 2k40 h GLN 10 N 1.95 0.00 0.00 7.08 4.15 -2.00 -0.61 115.11 125.67 2k40 h GLN 10 Ca -0.50 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.92 2k40 h GLN 10 Cb 1.27 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.96 2k40 h GLN 10 CO 0.60 0.00 0.00 -1.71 -1.93 0.00 0.00 178.83 175.79 2k40 n ASN 11 N -3.04 0.59 -0.11 -0.69 4.05 -1.26 -0.83 115.26 113.97 2k40 n ASN 11 Ca -0.02 0.66 -0.22 0.00 0.45 0.00 0.00 54.58 55.45 2k40 n ASN 11 Cb 0.12 -0.78 -0.12 0.00 1.23 0.00 0.00 39.78 40.23 2k40 n ASN 11 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 177.26 175.88 2k40 n GLN 12 N -2.17 0.64 -0.16 1.20 -0.06 -0.29 -4.42 117.38 112.12 2k40 n GLN 12 Ca 0.02 0.22 -0.03 0.00 -2.00 0.00 0.00 57.00 55.21 2k40 n GLN 12 Cb 0.20 -1.55 0.06 0.00 -4.06 0.00 0.00 30.24 24.90 2k40 n GLN 12 CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 2k40 h ILE 13 N -0.30 0.83 0.00 1.69 1.08 -1.27 -2.88 117.51 116.65 2k40 h ILE 13 Ca -0.58 -0.13 -0.02 0.00 -0.39 0.00 0.00 64.86 63.74 2k40 h ILE 13 Cb 1.81 0.43 -0.00 0.00 -3.07 0.00 0.00 36.82 35.99 2k40 h ILE 13 CO -0.16 0.07 -0.10 1.05 -0.69 0.00 0.00 178.15 178.32 2k40 h GLU 14 N 0.37 0.00 -0.16 2.37 4.11 -1.21 0.22 114.58 120.28 2k40 h GLU 14 Ca 0.24 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.62 2k40 h GLU 14 Cb 0.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.50 2k40 h GLU 14 CO -0.24 0.10 -0.10 0.28 0.07 0.00 0.00 179.01 179.12 2k40 h VAL 15 N 0.00 1.33 -0.37 -1.06 2.07 -1.72 -1.85 116.25 114.64 2k40 h VAL 15 Ca -0.00 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 2k40 h VAL 15 Cb 0.21 1.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.74 2k40 h VAL 15 CO 0.01 0.35 0.15 -0.07 0.02 0.00 0.00 177.57 178.03 2k40 h LEU 16 N -0.00 0.52 -0.18 2.57 3.38 -1.25 -1.69 115.31 118.66 2k40 h LEU 16 Ca 0.03 -0.17 0.04 0.00 0.09 0.00 0.00 57.88 57.87 2k40 h LEU 16 Cb 0.60 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.14 2k40 h LEU 16 CO 0.03 0.55 -0.50 -0.33 0.09 0.00 0.00 178.44 178.28 2k40 h GLU 17 N 0.46 -0.50 0.00 1.13 4.39 -0.67 0.77 114.58 120.16 2k40 h GLU 17 Ca 0.12 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2k40 h GLU 17 Cb 0.20 0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.96 2k40 h GLU 17 CO -0.01 -0.33 0.00 -0.91 -1.16 0.00 0.00 179.01 176.60 2k40 h ASN 18 N -0.52 0.00 0.05 1.42 2.35 -1.09 -1.61 115.58 116.18 2k40 h ASN 18 Ca 0.06 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.81 2k40 h ASN 18 Cb 0.65 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.02 2k40 h ASN 18 CO -0.45 0.00 -0.02 0.58 -1.65 0.00 0.00 177.43 175.88 2k40 h VAL 19 N 0.00 1.33 -0.62 2.81 2.07 -1.11 -3.37 116.25 117.35 2k40 h VAL 19 Ca 0.00 -1.48 0.18 0.00 0.82 0.00 0.00 66.70 66.21 2k40 h VAL 19 Cb 0.39 2.27 -0.03 0.00 -1.52 0.00 0.00 31.29 32.41 2k40 h VAL 19 CO 0.00 0.36 0.45 0.15 0.02 0.00 0.00 177.57 178.55 2k40 h PHE 20 N -0.75 0.02 -0.34 1.57 3.57 0.09 0.98 116.94 122.08 2k40 h PHE 20 Ca -0.01 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.57 2k40 h PHE 20 Cb 0.64 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.29 2k40 h PHE 20 CO 0.14 0.01 -0.25 0.00 -2.23 0.00 0.00 178.31 175.99 2k40 h ARG 21 N 0.02 -0.20 -0.01 1.11 3.08 -1.56 -2.87 114.38 113.95 2k40 h ARG 21 Ca 0.30 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 2k40 h ARG 21 Cb 1.16 0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.26 2k40 h ARG 21 CO -0.01 -0.13 -0.04 0.28 -1.07 0.00 0.00 179.97 179.00 2k40 h VAL 22 N -0.21 1.49 -3.08 2.04 2.07 -1.02 -3.42 116.25 114.13 2k40 h VAL 22 Ca 0.17 -1.51 -0.59 0.00 0.82 0.00 0.00 66.70 65.58 2k40 h VAL 22 Cb 0.47 2.49 -0.40 0.00 -1.52 0.00 0.00 31.29 32.33 2k40 h VAL 22 CO -0.46 0.40 -0.76 0.54 0.02 0.00 0.00 177.57 177.31 2k40 s ASN 23 N -5.91 3.87 0.14 0.57 2.20 -0.80 -5.00 114.94 110.02 2k40 s ASN 23 Ca -0.16 -1.96 0.11 0.00 -0.94 0.00 0.00 52.86 49.91 2k40 s ASN 23 Cb 0.01 -0.90 0.58 0.00 -2.00 0.00 0.00 41.25 38.94 2k40 s ASN 23 CO 0.69 -0.37 1.35 0.00 -2.94 0.00 0.00 177.10 175.83 2k40 s TYR 25 N -3.23 -0.42 1.02 0.00 5.04 -1.26 -4.85 117.35 113.65 2k40 s TYR 25 Ca -0.00 0.02 -0.16 0.00 -2.44 0.00 0.00 57.07 54.49 2k40 s TYR 25 Cb 0.04 -0.40 0.21 0.00 0.35 0.00 0.00 41.96 42.16 2k40 s TYR 25 CO 0.13 -0.81 1.21 -1.25 -1.34 0.00 0.00 175.55 173.50 2k40 s PRO 26 N 2.36 0.18 0.54 4.97 0.04 -1.25 -5.12 135.00 136.73 2k40 s PRO 26 Ca 0.09 -0.15 0.09 0.00 0.04 0.00 0.00 61.00 61.07 2k40 s PRO 26 Cb -0.15 -1.77 0.07 0.00 0.04 0.00 0.00 34.50 32.69 2k40 s PRO 26 CO -0.25 -2.76 0.72 0.20 0.04 0.00 0.00 177.00 174.94 2k40 s GLY 27 N -4.40 1.82 0.22 0.56 0.00 -1.26 -4.98 107.32 99.28 2k40 s GLY 27 Ca 0.71 -2.01 -0.07 0.00 0.00 0.00 0.00 44.72 43.35 2k40 s GLY 27 CO 0.54 -1.67 1.82 -2.22 0.00 0.00 0.00 173.10 171.56 2k40 h ILE 28 N 0.31 1.26 -0.18 0.90 1.08 -1.99 -2.12 117.51 116.77 2k40 h ILE 28 Ca -0.32 -0.75 -0.07 0.00 -0.39 0.00 0.00 64.86 63.33 2k40 h ILE 28 Cb 1.29 0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 2k40 h ILE 28 CO 0.43 0.32 -0.19 0.44 -0.69 0.00 0.00 178.15 178.46 2k40 h ASP 29 N 1.21 0.31 -0.14 1.72 3.32 -1.98 0.21 116.42 121.07 2k40 h ASP 29 Ca 0.29 -0.08 -0.19 0.00 0.02 0.00 0.00 57.03 57.07 2k40 h ASP 29 Cb 0.13 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.60 2k40 h ASP 29 CO -0.03 0.51 -0.60 0.40 -1.72 0.00 0.00 179.24 177.80 2k40 h ILE 30 N 0.29 1.29 -0.16 0.35 1.08 -1.88 0.68 117.51 119.17 2k40 h ILE 30 Ca 0.05 -1.81 -0.01 0.00 -0.39 0.00 0.00 64.86 62.70 2k40 h ILE 30 Cb 0.50 1.75 -0.01 0.00 -3.07 0.00 0.00 36.82 36.00 2k40 h ILE 30 CO 0.03 0.58 0.04 -0.07 -0.69 0.00 0.00 178.15 178.04 2k40 h LEU 31 N 0.56 0.23 -0.84 1.44 3.38 -0.86 -1.30 115.31 117.93 2k40 h LEU 31 Ca -0.00 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2k40 h LEU 31 Cb 1.19 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 41.84 2k40 h LEU 31 CO 0.12 0.39 0.53 -0.33 0.09 0.00 0.00 178.44 179.24 2k40 h GLU 32 N 0.07 1.12 -0.13 1.13 4.39 -0.63 0.83 114.58 121.35 2k40 h GLU 32 Ca 0.05 -0.09 0.03 0.00 0.34 0.00 0.00 59.36 59.69 2k40 h GLU 32 Cb 0.24 -0.24 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 2k40 h GLU 32 CO -0.00 0.77 -0.06 0.22 -1.16 0.00 0.00 179.01 178.78 2k40 h ASP 33 N 1.14 -0.21 -0.71 1.42 3.58 -0.78 -0.17 116.42 120.69 2k40 h ASP 33 Ca 0.30 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.79 2k40 h ASP 33 Cb -0.08 0.12 -0.03 0.00 1.72 0.00 0.00 39.33 41.06 2k40 h ASP 33 CO -0.06 -0.09 0.39 -0.07 -2.88 0.00 0.00 179.24 176.54 2k40 h LEU 34 N -0.05 0.89 0.14 2.28 3.38 -1.11 -1.99 115.31 118.85 2k40 h LEU 34 Ca 0.07 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 57.96 2k40 h LEU 34 Cb 0.16 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2k40 h LEU 34 CO -0.17 0.72 -0.20 0.00 0.09 0.00 0.00 178.44 178.89 2k40 h ALA 35 N 1.20 -0.37 0.00 1.53 0.00 -0.60 0.48 119.26 121.50 2k40 h ALA 35 Ca 0.25 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2k40 h ALA 35 Cb 0.03 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2k40 h ALA 35 CO -0.04 -0.74 -0.25 1.96 0.00 0.00 0.00 179.25 180.17 2k40 h GLN 36 N -0.40 0.00 0.00 0.00 1.08 -0.94 -2.87 115.11 111.97 2k40 h GLN 36 Ca 0.02 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 2k40 h GLN 36 Cb 0.41 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.83 2k40 h GLN 36 CO -0.09 0.25 -0.14 0.87 -0.95 0.00 0.00 178.83 178.78 2k40 h LYS 37 N 0.00 0.00 0.00 1.46 1.57 -1.17 -3.39 116.57 115.04 2k40 h LYS 37 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k40 h LYS 37 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 2k40 h LYS 37 CO 0.03 0.35 0.00 1.28 -0.57 0.00 0.00 179.45 180.55 2k40 n LEU 38 N -4.69 0.02 -3.49 2.94 4.77 0.14 -4.92 117.00 111.77 2k40 n LEU 38 Ca -0.06 0.50 -0.15 0.00 -0.03 0.00 0.00 56.01 56.28 2k40 n LEU 38 Cb 0.21 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 2k40 n LEU 38 CO 0.12 -0.16 -0.01 -3.20 -1.33 0.00 0.00 177.39 172.82 2k40 n ASN 39 N -1.52 -6.07 -4.16 -1.43 2.85 -1.13 -5.07 115.26 98.73 2k40 n ASN 39 Ca 0.05 -0.58 -0.11 0.00 -0.11 0.00 0.00 54.58 53.82 2k40 n ASN 39 Cb 0.24 -3.16 -0.10 0.00 1.24 0.00 0.00 39.78 38.00 2k40 n ASN 39 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2k40 s LEU 40 N -4.52 2.48 0.20 1.20 1.43 -1.10 -5.09 118.68 113.28 2k40 s LEU 40 Ca 0.01 -0.94 -0.16 0.00 -1.03 0.00 0.00 54.13 52.01 2k40 s LEU 40 Cb -0.00 -0.13 -0.08 0.00 0.03 0.00 0.00 46.19 46.02 2k40 s LEU 40 CO 0.84 -0.41 0.64 -1.83 0.23 0.00 0.00 176.35 175.82 2k40 s GLU 41 N -3.49 4.08 0.30 1.70 1.03 -1.26 -4.40 118.70 116.66 2k40 s GLU 41 Ca 0.09 0.64 0.06 0.00 0.03 0.00 0.00 54.97 55.80 2k40 s GLU 41 Cb 0.03 -2.84 0.80 0.00 -0.80 0.00 0.00 34.13 31.32 2k40 s GLU 41 CO -0.03 0.40 1.72 1.25 -1.33 0.00 0.00 175.26 177.26 2k40 h LEU 42 N 3.29 0.52 -0.35 1.83 6.46 -1.95 -1.27 115.31 123.85 2k40 h LEU 42 Ca -0.48 0.14 0.06 0.00 -0.12 0.00 0.00 57.88 57.48 2k40 h LEU 42 Cb 1.19 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 41.14 2k40 h LEU 42 CO 0.66 0.07 -0.02 -0.78 -0.62 0.00 0.00 178.44 177.74 2k40 h ASP 43 N 0.51 -0.18 -0.96 1.25 3.58 -1.98 0.17 116.42 118.80 2k40 h ASP 43 Ca 0.60 0.08 0.01 0.00 0.42 0.00 0.00 57.03 58.14 2k40 h ASP 43 Cb 1.12 0.16 -0.05 0.00 1.72 0.00 0.00 39.33 42.28 2k40 h ASP 43 CO -0.49 -0.05 0.64 0.03 -2.88 0.00 0.00 179.24 176.48 2k40 h ARG 44 N 0.08 1.26 -0.02 0.28 3.08 -1.64 -0.38 114.38 117.04 2k40 h ARG 44 Ca 0.17 -0.08 -0.20 0.00 0.07 0.00 0.00 59.98 59.95 2k40 h ARG 44 Cb 0.24 -0.28 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2k40 h ARG 44 CO -0.30 0.84 -0.83 0.82 -1.07 0.00 0.00 179.97 179.43 2k40 h ILE 45 N 1.30 1.43 0.09 2.04 2.04 -1.14 -0.63 117.51 122.64 2k40 h ILE 45 Ca 0.36 -2.39 0.01 0.00 1.00 0.00 0.00 64.86 63.84 2k40 h ILE 45 Cb -0.14 2.32 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 2k40 h ILE 45 CO -0.08 0.71 -0.15 1.56 0.00 0.00 0.00 178.15 180.19 2k40 h GLN 46 N 0.19 -0.28 -0.84 2.37 1.08 -0.46 0.68 115.11 117.84 2k40 h GLN 46 Ca -0.05 0.02 0.06 0.00 -1.45 0.00 0.00 58.65 57.23 2k40 h GLN 46 Cb 1.43 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 28.87 2k40 h GLN 46 CO 0.13 -0.19 0.55 0.82 -0.95 0.00 0.00 178.83 179.20 2k40 h ILE 47 N -0.29 1.07 0.83 2.54 5.03 -1.04 -0.16 117.51 125.49 2k40 h ILE 47 Ca 0.02 -0.33 -0.04 0.00 -0.12 0.00 0.00 64.86 64.39 2k40 h ILE 47 Cb 0.31 0.02 0.01 0.00 -3.03 0.00 0.00 36.82 34.13 2k40 h ILE 47 CO -0.08 0.18 -0.40 -0.25 -0.68 0.00 0.00 178.15 176.92 2k40 h TRP 48 N 0.97 -1.03 -0.82 1.37 7.01 -0.69 -0.99 115.95 121.76 2k40 h TRP 48 Ca 0.36 -0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.38 2k40 h TRP 48 Cb 0.17 0.34 -0.05 0.00 -2.10 0.00 0.00 29.16 27.52 2k40 h TRP 48 CO -0.00 -0.63 0.52 0.74 -2.79 0.00 0.00 178.44 176.27 2k40 h PHE 49 N -1.18 0.96 -0.30 2.65 0.04 -0.59 -0.28 116.94 118.24 2k40 h PHE 49 Ca -0.11 0.03 -0.17 0.00 2.80 0.00 0.00 57.97 60.52 2k40 h PHE 49 Cb 0.86 -0.31 -0.00 0.00 2.20 0.00 0.00 35.95 38.70 2k40 h PHE 49 CO -0.01 0.52 -0.47 1.96 -0.60 0.00 0.00 178.31 179.71 2k40 h GLN 50 N 0.98 0.81 -0.23 1.51 4.20 -1.10 -1.71 115.11 119.57 2k40 h GLN 50 Ca 0.34 -0.47 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 2k40 h GLN 50 Cb 0.09 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.89 2k40 h GLN 50 CO -0.14 1.10 0.01 -0.91 -0.67 0.00 0.00 178.83 178.22 2k40 h ASN 51 N 0.64 0.31 0.65 1.46 2.35 -0.79 -0.50 115.58 119.70 2k40 h ASN 51 Ca 0.03 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.72 2k40 h ASN 51 Cb 1.06 -0.08 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 2k40 h ASN 51 CO 0.10 0.36 -0.45 0.03 -1.65 0.00 0.00 177.43 175.83 2k40 h ARG 52 N 0.33 -1.01 -0.18 0.81 -0.00 -0.75 0.16 114.38 113.75 2k40 h ARG 52 Ca 0.08 0.07 0.04 0.00 -0.50 0.00 0.00 59.98 59.66 2k40 h ARG 52 Cb 0.22 0.23 -0.04 0.00 0.00 0.00 0.00 29.97 30.38 2k40 h ARG 52 CO 0.00 -0.67 -0.05 0.00 0.00 0.00 0.00 179.97 179.25 2k40 h ARG 53 N -1.05 -0.01 -0.54 0.04 3.08 -1.22 -1.11 114.38 113.58 2k40 h ARG 53 Ca -0.08 0.00 0.10 0.00 0.07 0.00 0.00 59.98 60.07 2k40 h ARG 53 Cb 0.86 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.83 2k40 h ARG 53 CO 0.05 -0.01 0.07 0.00 -1.07 0.00 0.00 179.97 179.02 2k40 h ALA 54 N 1.17 0.59 -0.15 0.04 0.00 -1.04 -0.34 119.26 119.53 2k40 h ALA 54 Ca 0.09 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2k40 h ALA 54 Cb 0.14 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2k40 h ALA 54 CO -0.19 -0.34 0.09 0.87 0.00 0.00 0.00 179.25 179.68 2k40 h LYS 55 N 0.20 0.20 -0.74 0.00 1.57 -0.63 -1.59 116.57 115.58 2k40 h LYS 55 Ca 0.28 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 59.06 2k40 h LYS 55 Cb 0.41 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.64 2k40 h LYS 55 CO -0.39 0.16 0.49 1.25 -0.57 0.00 0.00 179.45 180.38 2k40 h LEU 56 N 0.18 0.81 -0.32 2.94 5.85 -0.72 -2.61 115.31 121.44 2k40 h LEU 56 Ca 0.05 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.69 2k40 h LEU 56 Cb 0.01 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.83 2k40 h LEU 56 CO -0.01 0.57 -0.08 0.50 -0.34 0.00 0.00 178.44 179.08 2k40 h LYS 57 N 0.94 0.63 0.00 1.25 3.64 -0.88 -3.47 116.57 118.69 2k40 h LYS 57 Ca 0.28 -0.24 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 2k40 h LYS 57 Cb -0.02 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2k40 h LYS 57 CO -0.07 0.81 0.00 -2.13 -2.27 0.00 0.00 179.45 175.78 2k40 n ARG 58 N -4.44 0.00 -4.20 1.90 0.00 -0.61 -4.77 116.66 104.54 2k40 n ARG 58 Ca -0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.71 2k40 n ARG 58 Cb 0.33 -0.18 -0.10 0.00 0.00 0.00 0.00 32.46 32.51 2k40 n ARG 58 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2k40 s SER 59 N 0.00 1.03 0.34 6.15 1.04 -1.26 -5.03 113.70 115.98 2k40 s SER 59 Ca 0.00 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.31 2k40 s SER 59 Cb 0.00 0.14 0.00 0.00 0.10 0.00 0.00 66.02 66.26 2k40 s SER 59 CO 0.00 -0.56 0.00 1.41 0.98 0.00 0.00 173.24 175.07 2k40 n HIS 60 N -0.15 -2.89 -3.56 5.02 8.25 -1.26 -5.08 115.22 115.55 2k40 n HIS 60 Ca -0.08 1.49 -0.17 0.00 -0.26 0.00 0.00 57.72 58.70 2k40 n HIS 60 Cb 0.62 -2.63 -0.06 0.00 1.12 0.00 0.00 29.99 29.04 2k40 n HIS 60 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 2k40 s ARG 61 N -2.67 1.00 0.03 -0.41 0.52 -1.26 -5.03 118.95 111.12 2k40 s ARG 61 Ca 0.00 0.17 -0.10 0.00 -0.52 0.00 0.00 55.73 55.27 2k40 s ARG 61 Cb 0.00 0.47 -0.04 0.00 0.52 0.00 0.00 34.95 35.89 2k40 s ARG 61 CO 0.00 -0.31 1.17 0.93 0.02 0.00 0.00 175.30 177.11 2k40 h GLU 62 N 3.12 -0.21 -1.05 3.54 3.07 -2.05 -2.56 114.58 118.45 2k40 h GLU 62 Ca -0.28 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 2k40 h GLU 62 Cb 1.15 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 2k40 h GLU 62 CO 0.39 -0.14 0.00 0.45 -1.40 0.00 0.00 179.01 178.31 2k40 n SER 63 N -3.37 1.44 -4.01 1.42 2.88 -1.26 -4.80 113.62 105.92 2k40 n SER 63 Ca -0.02 -1.35 -0.08 0.00 -1.33 0.00 0.00 58.87 56.08 2k40 n SER 63 Cb 0.12 -0.34 -0.10 0.00 -0.75 0.00 0.00 64.21 63.14 2k40 n SER 63 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2k40 s GLN 64 N -0.24 0.51 0.19 -1.46 -0.44 -0.96 -5.04 119.66 112.21 2k40 s GLN 64 Ca 0.00 -0.91 0.00 0.00 -2.50 0.00 0.00 55.36 51.95 2k40 s GLN 64 Cb 0.00 0.18 0.00 0.00 -1.64 0.00 0.00 33.01 31.55 2k40 s GLN 64 CO 0.00 -0.10 0.00 1.97 0.50 0.00 0.00 175.29 177.66 2k40 n PHE 65 N 0.75 -2.78 0.00 1.67 -1.74 -1.26 -4.65 117.46 109.45 2k40 n PHE 65 Ca -0.18 0.58 0.00 0.00 -0.56 0.00 0.00 57.45 57.29 2k40 n PHE 65 Cb 0.58 1.63 0.00 0.00 1.52 0.00 0.00 39.48 43.22 2k40 n PHE 65 CO 0.00 0.00 0.00 -0.11 -0.56 0.00 0.00 176.76 176.09 2k40 n LEU 66 N -2.94 0.00 0.00 5.98 7.94 -1.26 -5.07 117.00 121.65 2k40 n LEU 66 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2k40 n LEU 66 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2k40 n LEU 66 CO 0.00 0.00 0.00 0.80 -1.11 0.00 0.00 177.39 177.08