#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k40 s ARG 2 N 0.00 3.08 -0.42 1.61 6.06 -1.26 -4.91 118.95 123.11 2k40 s ARG 2 Ca 0.00 -0.48 0.02 0.00 -2.50 0.00 0.00 55.73 52.77 2k40 s ARG 2 Cb 0.00 -4.94 0.14 0.00 0.06 0.00 0.00 34.95 30.22 2k40 s ARG 2 CO 0.00 -2.63 0.26 0.50 -2.50 0.00 0.00 175.30 170.93 2k40 s ARG 3 N 6.01 1.04 0.77 5.12 3.52 -1.26 -5.13 118.95 129.02 2k40 s ARG 3 Ca 0.54 -1.86 -0.14 0.00 -0.13 0.00 0.00 55.73 54.15 2k40 s ARG 3 Cb -0.05 -1.92 0.06 0.00 -1.56 0.00 0.00 34.95 31.49 2k40 s ARG 3 CO 0.01 -1.21 1.21 -1.25 -0.81 0.00 0.00 175.30 173.24 2k40 s PRO 4 N 0.47 1.85 -0.95 5.12 0.04 -1.26 -3.20 135.00 137.07 2k40 s PRO 4 Ca 0.20 1.75 -0.14 0.00 0.04 0.00 0.00 61.00 62.86 2k40 s PRO 4 Cb -0.19 -1.80 0.02 0.00 0.04 0.00 0.00 34.50 32.57 2k40 s PRO 4 CO -0.03 -2.05 0.26 -2.13 0.04 0.00 0.00 177.00 173.09 2k40 n ARG 5 N -3.06 -0.68 -1.77 4.56 0.00 -1.26 -4.92 116.66 109.53 2k40 n ARG 5 Ca 0.13 -0.04 -0.41 0.00 -0.00 0.00 0.00 57.85 57.53 2k40 n ARG 5 Cb 0.50 -1.88 -0.00 0.00 0.00 0.00 0.00 32.46 31.08 2k40 n ARG 5 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 2k40 n THR 6 N -3.67 1.76 -4.39 5.15 -1.04 -1.20 -5.03 114.28 105.87 2k40 n THR 6 Ca -0.14 -0.44 -0.21 0.00 -2.04 0.00 0.00 64.05 61.22 2k40 n THR 6 Cb 0.43 -1.98 -0.09 0.00 -1.82 0.00 0.00 70.33 66.87 2k40 n THR 6 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k40 s ALA 7 N -0.84 2.22 0.11 2.41 0.00 -1.26 -4.49 121.76 119.90 2k40 s ALA 7 Ca 0.56 -1.69 0.02 0.00 0.00 0.00 0.00 51.96 50.85 2k40 s ALA 7 Cb -0.48 0.99 -0.01 0.00 0.00 0.00 0.00 23.12 23.62 2k40 s ALA 7 CO 0.60 -0.44 0.07 1.19 0.00 0.00 0.00 175.76 177.18 2k40 n PHE 8 N -0.66 -0.14 -1.69 0.00 3.72 -1.26 -5.13 117.46 112.30 2k40 n PHE 8 Ca -0.01 -0.87 -0.39 0.00 -0.05 0.00 0.00 57.45 56.13 2k40 n PHE 8 Cb 0.65 0.06 0.03 0.00 -0.94 0.00 0.00 39.48 39.28 2k40 n PHE 8 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 176.76 174.34 2k40 n THR 9 N -0.24 3.35 0.28 4.37 5.66 -1.26 -4.78 114.28 121.66 2k40 n THR 9 Ca 0.01 -0.50 0.17 0.00 -3.05 0.00 0.00 64.05 60.68 2k40 n THR 9 Cb 0.19 -1.45 0.95 0.00 -1.55 0.00 0.00 70.33 68.47 2k40 n THR 9 CO 0.00 0.00 0.00 -0.61 -3.05 0.00 0.00 175.07 171.41 2k40 h GLN 10 N 1.35 0.00 -0.82 1.09 5.75 -2.00 -0.52 115.11 119.96 2k40 h GLN 10 Ca -0.49 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.00 2k40 h GLN 10 Cb 1.32 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.83 2k40 h GLN 10 CO 0.56 0.00 0.46 -0.91 -2.65 0.00 0.00 178.83 176.29 2k40 h ASN 11 N 0.00 1.01 0.95 -0.69 -0.26 -2.00 0.83 115.58 115.42 2k40 h ASN 11 Ca 0.02 -0.09 -0.22 0.00 -0.56 0.00 0.00 56.30 55.46 2k40 h ASN 11 Cb 0.16 -0.26 -0.03 0.00 -1.06 0.00 0.00 38.32 37.14 2k40 h ASN 11 CO -0.00 0.80 -1.03 -0.61 -1.06 0.00 0.00 177.43 175.54 2k40 h GLN 12 N 1.13 0.04 -0.07 0.81 4.15 -1.49 -3.22 115.11 116.45 2k40 h GLN 12 Ca 0.29 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.64 2k40 h GLN 12 Cb 0.01 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.72 2k40 h GLN 12 CO -0.05 1.03 0.04 0.82 -1.93 0.00 0.00 178.83 178.73 2k40 h ILE 13 N 0.01 1.11 -0.09 2.39 1.08 -1.21 -2.94 117.51 117.85 2k40 h ILE 13 Ca -0.03 -0.32 -0.02 0.00 -0.39 0.00 0.00 64.86 64.10 2k40 h ILE 13 Cb 1.79 1.19 -0.01 0.00 -3.07 0.00 0.00 36.82 36.72 2k40 h ILE 13 CO 0.14 0.09 -0.06 1.05 -0.69 0.00 0.00 178.15 178.69 2k40 h GLU 14 N -0.00 0.13 -0.20 2.37 -0.00 -0.88 0.25 114.58 116.25 2k40 h GLU 14 Ca 0.03 -0.02 -0.03 0.00 -0.00 0.00 0.00 59.36 59.34 2k40 h GLU 14 Cb 0.12 -0.02 -0.01 0.00 -0.00 0.00 0.00 28.75 28.84 2k40 h GLU 14 CO -0.00 0.20 0.00 0.28 -0.00 0.00 0.00 179.01 179.49 2k40 h VAL 15 N 0.13 1.25 -0.42 -1.06 2.07 -1.60 0.06 116.25 116.69 2k40 h VAL 15 Ca 0.03 -0.86 -0.07 0.00 0.82 0.00 0.00 66.70 66.62 2k40 h VAL 15 Cb 0.19 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.37 2k40 h VAL 15 CO 0.01 0.26 -0.01 -0.07 0.02 0.00 0.00 177.57 177.78 2k40 h LEU 16 N 0.11 0.74 -0.18 2.57 3.38 -1.14 -0.65 115.31 120.13 2k40 h LEU 16 Ca 0.06 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.76 2k40 h LEU 16 Cb 0.39 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 2k40 h LEU 16 CO 0.01 0.87 -0.20 -0.33 0.09 0.00 0.00 178.44 178.88 2k40 h GLU 17 N 0.58 -0.22 -0.54 1.13 4.39 -0.59 -0.61 114.58 118.72 2k40 h GLU 17 Ca 0.12 0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.91 2k40 h GLU 17 Cb 0.51 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.14 2k40 h GLU 17 CO 0.02 -0.15 0.18 -0.97 -1.16 0.00 0.00 179.01 176.94 2k40 h ASN 18 N -0.23 0.17 0.13 1.42 -1.24 -0.74 0.17 115.58 115.26 2k40 h ASN 18 Ca 0.12 0.07 0.00 0.00 0.71 0.00 0.00 56.30 57.20 2k40 h ASN 18 Cb 0.40 0.06 -0.01 0.00 0.73 0.00 0.00 38.32 39.51 2k40 h ASN 18 CO -0.31 0.11 -0.11 0.58 -1.29 0.00 0.00 177.43 176.41 2k40 h VAL 19 N 0.35 0.75 -0.90 2.57 2.07 -0.93 -2.58 116.25 117.59 2k40 h VAL 19 Ca 0.27 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.87 2k40 h VAL 19 Cb 0.31 0.75 -0.07 0.00 -1.52 0.00 0.00 31.29 30.76 2k40 h VAL 19 CO -0.28 0.00 0.55 0.15 0.02 0.00 0.00 177.57 178.01 2k40 h PHE 20 N -0.26 1.01 0.00 1.57 3.57 -0.57 0.26 116.94 122.52 2k40 h PHE 20 Ca -0.00 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2k40 h PHE 20 Cb 0.24 -0.32 -0.00 0.00 2.79 0.00 0.00 35.95 38.66 2k40 h PHE 20 CO -0.11 0.47 -0.05 -0.09 -2.23 0.00 0.00 178.31 176.30 2k40 h ARG 21 N 0.96 0.00 0.00 1.11 9.65 -0.44 -2.48 114.38 123.17 2k40 h ARG 21 Ca 0.41 0.00 -0.30 0.00 -1.10 0.00 0.00 59.98 58.99 2k40 h ARG 21 Cb 0.27 0.00 -0.06 0.00 -1.39 0.00 0.00 29.97 28.80 2k40 h ARG 21 CO -0.21 0.05 -2.28 0.28 2.80 0.00 0.00 179.97 180.61 2k40 n VAL 22 N -3.82 1.12 -3.39 0.20 0.31 -0.87 -4.88 118.33 106.99 2k40 n VAL 22 Ca -0.03 -0.77 -0.26 0.00 -0.01 0.00 0.00 64.34 63.27 2k40 n VAL 22 Cb 0.14 -0.40 -0.10 0.00 -0.91 0.00 0.00 33.84 32.57 2k40 n VAL 22 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2k40 s ASN 23 N -5.25 1.79 0.59 4.52 -0.87 0.86 -5.01 114.94 111.57 2k40 s ASN 23 Ca -0.09 -2.68 0.30 0.00 -1.57 0.00 0.00 52.86 48.81 2k40 s ASN 23 Cb 0.07 -0.30 1.72 0.00 -0.02 0.00 0.00 41.25 42.72 2k40 s ASN 23 CO 0.82 -0.21 2.14 0.00 -2.57 0.00 0.00 177.10 177.27 2k40 s TYR 25 N -4.60 1.19 0.82 0.00 2.02 -1.26 -4.99 117.35 110.53 2k40 s TYR 25 Ca -0.05 -1.58 -0.11 0.00 -0.37 0.00 0.00 57.07 54.96 2k40 s TYR 25 Cb 0.15 -1.37 0.09 0.00 -0.40 0.00 0.00 41.96 40.42 2k40 s TYR 25 CO 0.53 -0.84 1.09 -1.25 -1.57 0.00 0.00 175.55 173.51 2k40 s PRO 26 N 1.48 1.85 0.76 -1.71 0.04 -1.22 -5.08 135.00 131.11 2k40 s PRO 26 Ca 0.12 0.84 -0.10 0.00 0.04 0.00 0.00 61.00 61.90 2k40 s PRO 26 Cb -0.19 -1.88 0.07 0.00 0.04 0.00 0.00 34.50 32.54 2k40 s PRO 26 CO -0.20 -1.83 1.11 0.20 0.04 0.00 0.00 177.00 176.32 2k40 s GLY 27 N -3.61 1.62 0.27 0.56 0.00 -1.26 -4.91 107.32 99.99 2k40 s GLY 27 Ca 0.62 -0.70 -0.04 0.00 0.00 0.00 0.00 44.72 44.59 2k40 s GLY 27 CO 0.56 -0.26 1.88 -2.22 0.00 0.00 0.00 173.10 173.06 2k40 h ILE 28 N -0.85 1.23 -0.01 0.90 1.08 -1.99 -1.64 117.51 116.24 2k40 h ILE 28 Ca -0.45 -0.62 -0.08 0.00 -0.39 0.00 0.00 64.86 63.32 2k40 h ILE 28 Cb 1.32 0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 2k40 h ILE 28 CO 0.64 0.27 -0.36 -2.24 -0.69 0.00 0.00 178.15 175.77 2k40 h ASP 29 N 1.09 0.02 -0.23 1.72 3.04 -1.97 0.21 116.42 120.30 2k40 h ASP 29 Ca 0.27 -0.01 -0.17 0.00 -3.24 0.00 0.00 57.03 53.89 2k40 h ASP 29 Cb 0.06 -0.01 0.00 0.00 -1.04 0.00 0.00 39.33 38.35 2k40 h ASP 29 CO -0.04 0.38 -0.51 0.40 -2.04 0.00 0.00 179.24 177.43 2k40 h ILE 30 N 0.02 1.30 -0.34 4.15 2.04 -1.78 0.79 117.51 123.69 2k40 h ILE 30 Ca -0.00 -1.72 0.00 0.00 1.00 0.00 0.00 64.86 64.15 2k40 h ILE 30 Cb 0.65 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.49 2k40 h ILE 30 CO 0.05 0.55 0.22 -0.07 0.00 0.00 0.00 178.15 178.90 2k40 h LEU 31 N 0.50 0.39 -0.99 1.44 3.38 -0.81 -0.39 115.31 118.82 2k40 h LEU 31 Ca 0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 2k40 h LEU 31 Cb 1.12 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 2k40 h LEU 31 CO 0.11 0.28 0.22 -0.33 0.09 0.00 0.00 178.44 178.82 2k40 h GLU 32 N 0.46 0.95 -0.42 1.13 5.08 -0.61 0.73 114.58 121.90 2k40 h GLU 32 Ca 0.12 -0.17 -0.13 0.00 -1.00 0.00 0.00 59.36 58.18 2k40 h GLU 32 Cb -0.05 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.03 2k40 h GLU 32 CO -0.03 0.80 -0.26 0.22 -1.00 0.00 0.00 179.01 178.75 2k40 h ASP 33 N 0.93 0.91 -0.30 1.42 3.58 -0.65 -0.67 116.42 121.64 2k40 h ASP 33 Ca 0.21 -0.36 -0.03 0.00 0.42 0.00 0.00 57.03 57.28 2k40 h ASP 33 Cb 0.23 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.02 2k40 h ASP 33 CO -0.01 1.12 0.09 -0.07 -2.88 0.00 0.00 179.24 177.48 2k40 h LEU 34 N 0.75 0.44 0.20 2.28 3.38 -0.96 -1.73 115.31 119.68 2k40 h LEU 34 Ca 0.09 -0.21 0.01 0.00 0.09 0.00 0.00 57.88 57.86 2k40 h LEU 34 Cb 0.81 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 2k40 h LEU 34 CO 0.07 0.54 -0.52 0.00 0.09 0.00 0.00 178.44 178.61 2k40 h ALA 35 N 0.92 -1.03 0.00 1.53 0.00 -0.75 0.11 119.26 120.04 2k40 h ALA 35 Ca 0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2k40 h ALA 35 Cb 0.25 0.87 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2k40 h ALA 35 CO -0.00 -1.14 -0.11 0.37 0.00 0.00 0.00 179.25 178.36 2k40 h GLN 36 N -0.80 0.00 -0.01 0.00 5.75 -1.16 -1.53 115.11 117.36 2k40 h GLN 36 Ca -0.02 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2k40 h GLN 36 Cb 0.78 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.33 2k40 h GLN 36 CO -0.24 0.11 -0.29 1.17 -2.65 0.00 0.00 178.83 176.93 2k40 n LYS 37 N -3.97 1.79 0.00 1.69 4.81 -0.65 -4.04 118.16 117.79 2k40 n LYS 37 Ca -0.02 -0.75 0.06 0.00 -0.87 0.00 0.00 58.31 56.73 2k40 n LYS 37 Cb 0.20 -1.21 -0.02 0.00 0.02 0.00 0.00 35.03 34.01 2k40 n LYS 37 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2k40 n LEU 38 N -0.15 1.12 -3.49 3.14 4.77 0.35 -5.03 117.00 117.70 2k40 n LEU 38 Ca 0.06 -0.67 -0.24 0.00 -0.03 0.00 0.00 56.01 55.13 2k40 n LEU 38 Cb 0.30 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.44 2k40 n LEU 38 CO 0.17 0.23 -0.01 -3.20 -1.33 0.00 0.00 177.39 173.25 2k40 n ASN 39 N -0.57 -5.95 -4.20 -1.43 5.15 -0.66 -5.05 115.26 102.54 2k40 n ASN 39 Ca 0.04 -0.85 -0.16 0.00 -0.60 0.00 0.00 54.58 53.02 2k40 n ASN 39 Cb 0.24 -4.09 -0.11 0.00 -0.53 0.00 0.00 39.78 35.29 2k40 n ASN 39 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2k40 s LEU 40 N -5.89 2.41 0.32 1.20 1.43 -0.69 -5.06 118.68 112.41 2k40 s LEU 40 Ca 0.43 -0.82 -0.27 0.00 -1.03 0.00 0.00 54.13 52.44 2k40 s LEU 40 Cb -0.12 -0.40 -0.09 0.00 0.03 0.00 0.00 46.19 45.61 2k40 s LEU 40 CO 0.81 -0.22 1.03 -1.83 0.23 0.00 0.00 176.35 176.38 2k40 s GLU 41 N -2.78 4.49 0.41 1.70 1.03 -1.26 -4.33 118.70 117.95 2k40 s GLU 41 Ca 0.07 1.58 0.18 0.00 0.03 0.00 0.00 54.97 56.83 2k40 s GLU 41 Cb -0.03 -2.90 1.08 0.00 -0.80 0.00 0.00 34.13 31.48 2k40 s GLU 41 CO 0.01 0.14 1.81 1.25 -1.33 0.00 0.00 175.26 177.14 2k40 h LEU 42 N 3.28 0.44 -0.42 1.83 6.46 -1.93 -1.86 115.31 123.10 2k40 h LEU 42 Ca -0.47 0.06 0.09 0.00 -0.12 0.00 0.00 57.88 57.44 2k40 h LEU 42 Cb 1.21 -0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 41.04 2k40 h LEU 42 CO 0.65 0.14 -0.17 -0.78 -0.62 0.00 0.00 178.44 177.65 2k40 h ASP 43 N 0.41 -0.60 -0.66 1.25 3.58 -1.97 0.35 116.42 118.78 2k40 h ASP 43 Ca 0.53 0.15 -0.05 0.00 0.42 0.00 0.00 57.03 58.09 2k40 h ASP 43 Cb 1.33 0.34 -0.03 0.00 1.72 0.00 0.00 39.33 42.69 2k40 h ASP 43 CO -0.23 -0.21 0.23 0.03 -2.88 0.00 0.00 179.24 176.18 2k40 h ARG 44 N -0.09 1.00 -0.25 0.28 3.08 -1.72 -0.96 114.38 115.72 2k40 h ARG 44 Ca 0.20 -0.20 -0.15 0.00 0.07 0.00 0.00 59.98 59.90 2k40 h ARG 44 Cb 0.40 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 2k40 h ARG 44 CO -0.48 0.86 -0.47 0.82 -1.07 0.00 0.00 179.97 179.63 2k40 h ILE 45 N 0.94 1.30 0.14 2.04 2.04 -1.20 0.48 117.51 123.25 2k40 h ILE 45 Ca 0.21 -1.67 -0.01 0.00 1.00 0.00 0.00 64.86 64.40 2k40 h ILE 45 Cb 0.26 1.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.95 2k40 h ILE 45 CO -0.01 0.53 -0.07 1.56 0.00 0.00 0.00 178.15 180.16 2k40 h GLN 46 N 0.53 -0.19 -0.79 2.37 1.08 -0.22 0.28 115.11 118.18 2k40 h GLN 46 Ca 0.03 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.29 2k40 h GLN 46 Cb 1.02 0.04 -0.05 0.00 -0.05 0.00 0.00 27.48 28.44 2k40 h GLN 46 CO 0.10 -0.07 0.49 0.82 -0.95 0.00 0.00 178.83 179.21 2k40 h ILE 47 N -0.26 1.06 0.63 2.54 2.04 -1.15 -0.47 117.51 121.89 2k40 h ILE 47 Ca -0.02 -0.31 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 2k40 h ILE 47 Cb 0.21 0.07 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 2k40 h ILE 47 CO 0.03 0.17 -0.38 -0.25 0.00 0.00 0.00 178.15 177.72 2k40 h TRP 48 N 0.91 -1.01 -0.59 1.37 7.01 -0.52 -0.86 115.95 122.26 2k40 h TRP 48 Ca 0.33 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.39 2k40 h TRP 48 Cb 0.10 0.36 -0.06 0.00 -2.10 0.00 0.00 29.16 27.46 2k40 h TRP 48 CO -0.04 -0.57 0.27 0.74 -2.79 0.00 0.00 178.44 176.05 2k40 h PHE 49 N -0.94 0.49 -0.66 2.65 0.04 -0.82 -2.19 116.94 115.52 2k40 h PHE 49 Ca -0.08 0.03 -0.06 0.00 2.80 0.00 0.00 57.97 60.65 2k40 h PHE 49 Cb 0.75 -0.13 -0.03 0.00 2.20 0.00 0.00 35.95 38.74 2k40 h PHE 49 CO -0.05 0.19 0.19 0.37 -0.60 0.00 0.00 178.31 178.41 2k40 h GLN 50 N 0.50 1.01 -0.34 1.51 4.15 -1.11 -0.67 115.11 120.18 2k40 h GLN 50 Ca 0.28 -0.21 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 2k40 h GLN 50 Cb 0.26 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.78 2k40 h GLN 50 CO -0.23 0.88 0.20 -0.91 -1.93 0.00 0.00 178.83 176.84 2k40 h ASN 51 N 0.97 0.41 0.07 -0.69 2.35 -0.56 -0.45 115.58 117.68 2k40 h ASN 51 Ca 0.21 -0.06 -0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2k40 h ASN 51 Cb 0.31 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.57 2k40 h ASN 51 CO -0.00 0.35 -0.03 0.03 -1.65 0.00 0.00 177.43 176.12 2k40 h ARG 52 N 0.44 -0.09 -0.69 0.81 2.47 -1.03 -1.08 114.38 115.20 2k40 h ARG 52 Ca 0.12 0.01 0.06 0.00 -1.26 0.00 0.00 59.98 58.90 2k40 h ARG 52 Cb 0.01 0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 28.30 2k40 h ARG 52 CO -0.02 -0.02 0.40 -0.09 0.56 0.00 0.00 179.97 180.80 2k40 h ARG 53 N -0.14 0.71 -0.34 0.04 1.12 -1.13 -1.05 114.38 113.60 2k40 h ARG 53 Ca -0.01 -0.04 0.02 0.00 -1.11 0.00 0.00 59.98 58.84 2k40 h ARG 53 Cb 0.12 -0.16 -0.03 0.00 -0.01 0.00 0.00 29.97 29.89 2k40 h ARG 53 CO 0.02 0.47 0.18 0.00 -3.11 0.00 0.00 179.97 177.53 2k40 h ALA 54 N 1.35 0.42 -0.58 2.80 0.00 -0.85 -3.05 119.26 119.35 2k40 h ALA 54 Ca 0.31 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.23 2k40 h ALA 54 Cb 0.17 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2k40 h ALA 54 CO -0.17 -0.18 0.37 -0.22 0.00 0.00 0.00 179.25 179.05 2k40 h LYS 55 N 0.38 0.72 -0.10 0.00 3.64 -0.64 -1.95 116.57 118.63 2k40 h LYS 55 Ca 0.14 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 2k40 h LYS 55 Cb 0.03 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2k40 h LYS 55 CO -0.08 0.48 0.00 1.28 -2.27 0.00 0.00 179.45 178.86 2k40 n LEU 56 N -4.72 0.10 0.00 5.20 4.77 -0.45 -2.92 117.00 118.99 2k40 n LEU 56 Ca 0.04 -0.05 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2k40 n LEU 56 Cb 0.05 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2k40 n LEU 56 CO 0.34 0.02 -0.28 1.17 -1.33 0.00 0.00 177.39 177.32 2k40 n LYS 57 N -0.31 0.00 -1.23 3.23 0.00 -1.05 -5.05 118.16 113.75 2k40 n LYS 57 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 58.31 57.96 2k40 n LYS 57 Cb 0.02 -0.38 0.10 0.00 0.00 0.00 0.00 35.03 34.77 2k40 n LYS 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2k40 n ARG 58 N -2.62 0.32 -1.28 1.64 5.12 -0.76 -3.53 116.66 115.54 2k40 n ARG 58 Ca 0.00 0.17 -0.10 0.00 -1.93 0.00 0.00 57.85 55.99 2k40 n ARG 58 Cb 0.28 -2.19 -0.04 0.00 -1.16 0.00 0.00 32.46 29.34 2k40 n ARG 58 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2k40 n SER 59 N -1.87 -4.67 -0.13 0.55 2.88 -1.26 -4.92 113.62 104.21 2k40 n SER 59 Ca 0.12 0.24 0.27 0.00 -1.33 0.00 0.00 58.87 58.17 2k40 n SER 59 Cb 0.50 -3.02 0.72 0.00 -0.75 0.00 0.00 64.21 61.66 2k40 n SER 59 CO 0.00 0.00 0.00 1.12 -1.23 0.00 0.00 175.04 174.93 2k40 h HIS 60 N 0.00 0.00 0.00 0.66 2.07 -1.93 -3.46 115.15 112.49 2k40 h HIS 60 Ca -0.20 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.32 2k40 h HIS 60 Cb 0.80 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.78 2k40 h HIS 60 CO 0.38 0.00 0.00 -2.13 -3.07 0.00 0.00 177.93 173.11 2k40 n ARG 61 N -4.21 -1.16 -1.70 5.12 0.63 -1.26 -4.99 116.66 109.10 2k40 n ARG 61 Ca 0.16 0.29 -0.43 0.00 -0.92 0.00 0.00 57.85 56.95 2k40 n ARG 61 Cb 0.88 -4.26 -0.01 0.00 0.45 0.00 0.00 32.46 29.53 2k40 n ARG 61 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2k40 n GLU 62 N -0.56 2.17 -0.92 -0.14 1.02 -1.26 -4.88 120.64 116.07 2k40 n GLU 62 Ca 0.00 0.76 -0.21 0.00 -0.02 0.00 0.00 57.16 57.69 2k40 n GLU 62 Cb 0.29 -2.38 -0.07 0.00 -0.02 0.00 0.00 31.44 29.26 2k40 n GLU 62 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2k40 n SER 63 N 1.12 5.65 -3.67 1.62 7.64 -1.26 -4.75 113.62 119.97 2k40 n SER 63 Ca 0.06 -2.37 -0.20 0.00 1.01 0.00 0.00 58.87 57.37 2k40 n SER 63 Cb 0.35 -1.24 -0.18 0.00 -1.01 0.00 0.00 64.21 62.14 2k40 n SER 63 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2k40 s GLN 64 N 2.15 -0.07 -0.41 1.43 -0.44 -1.26 -5.11 119.66 115.95 2k40 s GLN 64 Ca 0.54 0.39 0.05 0.00 -2.50 0.00 0.00 55.36 53.84 2k40 s GLN 64 Cb 0.19 -0.50 0.17 0.00 -1.64 0.00 0.00 33.01 31.23 2k40 s GLN 64 CO -0.03 -0.33 0.50 0.12 0.50 0.00 0.00 175.29 176.05 2k40 s PHE 65 N 2.18 -0.76 0.09 1.67 5.36 -1.26 -5.13 117.98 120.13 2k40 s PHE 65 Ca 0.05 -0.64 0.03 0.00 -0.96 0.00 0.00 56.93 55.41 2k40 s PHE 65 Cb -0.12 -0.15 -0.04 0.00 -0.34 0.00 0.00 43.02 42.38 2k40 s PHE 65 CO -0.03 -1.06 -0.08 -0.51 -1.46 0.00 0.00 175.22 172.07 2k40 s LEU 66 N 1.32 2.42 0.00 6.12 1.02 -1.26 -5.31 118.68 122.99 2k40 s LEU 66 Ca 0.20 -0.84 0.00 0.00 0.02 0.00 0.00 54.13 53.51 2k40 s LEU 66 Cb -0.08 -0.20 0.00 0.00 0.02 0.00 0.00 46.19 45.93 2k40 s LEU 66 CO -0.06 -0.33 0.00 0.80 0.02 0.00 0.00 176.35 176.79