#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 0.55 -0.74 1.61 1.74 -1.26 -5.01 116.66 113.56 2k40 n ARG 2 Ca 0.00 -2.34 0.00 0.00 -0.77 0.00 0.00 57.85 54.74 2k40 n ARG 2 Cb 0.00 1.48 0.00 0.00 -1.02 0.00 0.00 32.46 32.92 2k40 n ARG 2 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2k40 n ARG 3 N -0.57 0.00 -0.89 5.56 1.74 -1.26 -4.79 116.66 116.46 2k40 n ARG 3 Ca -0.01 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.97 2k40 n ARG 3 Cb 0.42 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.71 2k40 n ARG 3 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2k40 n PRO 4 N -0.10 1.78 -1.63 5.56 -0.04 -1.26 -4.90 135.00 134.42 2k40 n PRO 4 Ca 0.00 -0.85 -0.39 0.00 -0.04 0.00 0.00 63.50 62.22 2k40 n PRO 4 Cb 0.00 -1.89 -0.03 0.00 -0.04 0.00 0.00 33.50 31.54 2k40 n PRO 4 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2k40 s ARG 5 N 1.07 2.54 0.21 0.54 1.04 -1.26 -4.93 118.95 118.16 2k40 s ARG 5 Ca 0.57 1.57 -0.30 0.00 -1.04 0.00 0.00 55.73 56.54 2k40 s ARG 5 Cb 0.27 -4.48 -0.09 0.00 -2.04 0.00 0.00 34.95 28.61 2k40 s ARG 5 CO 0.00 -2.78 1.24 0.99 -0.04 0.00 0.00 175.30 174.71 2k40 s THR 6 N 10.44 3.37 -0.08 4.99 2.01 -1.26 -5.04 115.64 130.06 2k40 s THR 6 Ca 0.96 1.17 -0.00 0.00 0.31 0.00 0.00 61.69 64.13 2k40 s THR 6 Cb -0.22 -3.75 0.02 0.00 0.01 0.00 0.00 72.50 68.56 2k40 s THR 6 CO 0.29 0.20 -0.05 0.00 -0.69 0.00 0.00 174.62 174.37 2k40 s ALA 7 N -0.16 1.01 0.27 7.40 0.00 -1.26 -4.70 121.76 124.31 2k40 s ALA 7 Ca 0.53 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.17 2k40 s ALA 7 Cb -0.35 -0.74 0.00 0.00 0.00 0.00 0.00 23.12 22.03 2k40 s ALA 7 CO 0.39 -0.31 0.00 1.19 0.00 0.00 0.00 175.76 177.03 2k40 n PHE 8 N 4.75 -3.01 -2.26 0.00 3.72 -1.26 -5.12 117.46 114.28 2k40 n PHE 8 Ca -0.14 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.94 2k40 n PHE 8 Cb 0.50 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.03 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 0.54 4.04 0.28 4.37 -1.32 -1.26 -4.91 115.64 117.39 2k40 s THR 9 Ca 0.00 1.03 0.02 0.00 -1.21 0.00 0.00 61.69 61.53 2k40 s THR 9 Cb 0.00 -3.50 0.28 0.00 -1.51 0.00 0.00 72.50 67.77 2k40 s THR 9 CO 0.00 -0.51 1.82 0.06 -2.21 0.00 0.00 174.62 173.78 2k40 h GLN 10 N 0.83 0.91 0.00 7.08 -0.00 -1.99 -0.91 115.11 121.02 2k40 h GLN 10 Ca -0.47 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.12 2k40 h GLN 10 Cb 1.21 -0.21 0.00 0.00 -0.00 0.00 0.00 27.48 28.48 2k40 h GLN 10 CO 0.59 0.60 0.00 -1.71 -0.00 0.00 0.00 178.83 178.31 2k40 n ASN 11 N -4.66 0.00 -0.11 0.06 4.05 -1.26 -0.64 115.26 112.70 2k40 n ASN 11 Ca 0.19 0.47 -0.15 0.00 0.45 0.00 0.00 54.58 55.54 2k40 n ASN 11 Cb 0.39 -0.48 -0.12 0.00 1.23 0.00 0.00 39.78 40.81 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 -1.48 0.66 0.02 1.20 7.27 -0.41 -4.39 117.38 120.24 2k40 n GLN 12 Ca 0.02 0.11 -0.10 0.00 0.07 0.00 0.00 57.00 57.10 2k40 n GLN 12 Cb 0.06 -1.48 -0.04 0.00 2.41 0.00 0.00 30.24 31.20 2k40 n GLN 12 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 2k40 h ILE 13 N 0.00 0.63 0.00 1.69 1.08 -0.54 -2.62 117.51 117.75 2k40 h ILE 13 Ca -0.53 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 63.94 2k40 h ILE 13 Cb 1.88 0.63 -0.00 0.00 -3.07 0.00 0.00 36.82 36.26 2k40 h ILE 13 CO -0.06 0.00 -0.02 -0.33 -0.69 0.00 0.00 178.15 177.04 2k40 h GLU 14 N -0.20 0.00 -0.11 2.37 4.39 -1.12 0.26 114.58 120.16 2k40 h GLU 14 Ca 0.08 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.72 2k40 h GLU 14 Cb 0.30 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2k40 h GLU 14 CO -0.20 0.02 -0.16 0.28 -1.16 0.00 0.00 179.01 177.80 2k40 h VAL 15 N 0.00 1.37 -0.24 3.13 2.07 -1.73 -0.10 116.25 120.75 2k40 h VAL 15 Ca -0.00 -1.38 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 2k40 h VAL 15 Cb 0.04 2.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 2k40 h VAL 15 CO 0.00 0.40 0.07 -0.07 0.02 0.00 0.00 177.57 177.99 2k40 h LEU 16 N -0.11 0.36 -0.20 2.57 3.38 -0.96 -2.23 115.31 118.12 2k40 h LEU 16 Ca 0.01 -0.21 0.06 0.00 0.09 0.00 0.00 57.88 57.83 2k40 h LEU 16 Cb 0.71 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.30 2k40 h LEU 16 CO 0.04 0.47 -0.24 -0.33 0.09 0.00 0.00 178.44 178.47 2k40 h GLU 17 N 0.22 -0.26 -0.47 1.13 4.39 -0.62 -1.31 114.58 117.65 2k40 h GLU 17 Ca 0.08 0.02 0.13 0.00 0.34 0.00 0.00 59.36 59.93 2k40 h GLU 17 Cb 0.25 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 2k40 h GLU 17 CO -0.00 -0.17 0.34 -0.97 -1.16 0.00 0.00 179.01 177.04 2k40 h ASN 18 N -0.27 0.02 0.20 1.42 -1.24 -0.76 0.28 115.58 115.23 2k40 h ASN 18 Ca 0.12 0.00 -0.01 0.00 0.71 0.00 0.00 56.30 57.13 2k40 h ASN 18 Cb 0.46 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.51 2k40 h ASN 18 CO -0.36 0.01 -0.09 0.58 -1.29 0.00 0.00 177.43 176.28 2k40 h VAL 19 N 0.02 0.73 -0.85 2.57 2.07 -1.09 -3.35 116.25 116.36 2k40 h VAL 19 Ca 0.22 -1.04 0.22 0.00 0.82 0.00 0.00 66.70 66.93 2k40 h VAL 19 Cb 0.87 1.21 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 2k40 h VAL 19 CO -0.01 0.19 0.59 0.15 0.02 0.00 0.00 177.57 178.51 2k40 h PHE 20 N -0.89 0.22 0.00 1.57 3.57 -0.06 0.47 116.94 121.82 2k40 h PHE 20 Ca -0.03 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 2k40 h PHE 20 Cb 0.51 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.18 2k40 h PHE 20 CO 0.07 0.06 -0.10 -0.09 -2.23 0.00 0.00 178.31 176.01 2k40 h ARG 21 N 0.16 0.00 0.00 1.11 2.43 -0.62 -3.02 114.38 114.45 2k40 h ARG 21 Ca 0.42 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.55 2k40 h ARG 21 Cb 1.41 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.95 2k40 h ARG 21 CO -0.08 0.10 -1.18 1.33 -1.51 0.00 0.00 179.97 178.64 2k40 n VAL 22 N -3.39 0.18 -3.67 0.20 0.24 -0.90 -4.88 118.33 106.11 2k40 n VAL 22 Ca -0.01 -0.09 -0.32 0.00 -2.04 0.00 0.00 64.34 61.88 2k40 n VAL 22 Cb 0.28 -0.75 -0.08 0.00 -1.47 0.00 0.00 33.84 31.82 2k40 n VAL 22 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 2k40 n ASN 23 N -2.38 3.86 0.33 -1.34 4.13 0.11 -4.96 115.26 115.00 2k40 n ASN 23 Ca -0.05 -3.22 0.18 0.00 1.68 0.00 0.00 54.58 53.18 2k40 n ASN 23 Cb 0.57 -0.91 0.97 0.00 -1.54 0.00 0.00 39.78 38.87 2k40 n ASN 23 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2k40 s TYR 25 N -4.15 -0.04 0.98 0.00 5.04 -1.26 -5.00 117.35 112.92 2k40 s TYR 25 Ca -0.04 -0.63 -0.12 0.00 -2.44 0.00 0.00 57.07 53.83 2k40 s TYR 25 Cb 0.11 -0.67 0.18 0.00 0.35 0.00 0.00 41.96 41.93 2k40 s TYR 25 CO 0.34 -0.88 1.10 -1.25 -1.34 0.00 0.00 175.55 173.52 2k40 s PRO 26 N 2.07 0.57 0.57 4.97 0.04 -1.22 -5.08 135.00 136.91 2k40 s PRO 26 Ca 0.11 0.47 -0.03 0.00 0.04 0.00 0.00 61.00 61.59 2k40 s PRO 26 Cb -0.16 -1.76 0.02 0.00 0.04 0.00 0.00 34.50 32.65 2k40 s PRO 26 CO -0.29 -2.62 0.84 0.20 0.04 0.00 0.00 177.00 175.16 2k40 s GLY 27 N -3.58 1.67 0.40 0.56 0.00 -1.26 -4.95 107.32 100.16 2k40 s GLY 27 Ca 0.65 -0.99 0.13 0.00 0.00 0.00 0.00 44.72 44.51 2k40 s GLY 27 CO 0.57 -0.71 1.88 -2.22 0.00 0.00 0.00 173.10 172.62 2k40 h ILE 28 N -0.07 1.22 -1.01 0.90 5.03 -1.98 -1.90 117.51 119.71 2k40 h ILE 28 Ca -0.44 -1.07 0.02 0.00 -0.12 0.00 0.00 64.86 63.24 2k40 h ILE 28 Cb 1.28 1.58 -0.05 0.00 -3.03 0.00 0.00 36.82 36.59 2k40 h ILE 28 CO 0.58 0.31 0.66 -0.78 -0.68 0.00 0.00 178.15 178.24 2k40 h ASP 29 N 0.00 1.14 -0.26 1.72 3.58 -1.98 0.33 116.42 120.95 2k40 h ASP 29 Ca -0.00 -0.02 -0.15 0.00 0.42 0.00 0.00 57.03 57.27 2k40 h ASP 29 Cb 0.55 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.32 2k40 h ASP 29 CO 0.04 0.81 -0.41 0.40 -2.88 0.00 0.00 179.24 177.20 2k40 h ILE 30 N 1.33 1.28 -0.28 2.25 1.08 -1.77 0.36 117.51 121.78 2k40 h ILE 30 Ca 0.38 -1.58 -0.05 0.00 -0.39 0.00 0.00 64.86 63.22 2k40 h ILE 30 Cb -0.11 1.46 -0.01 0.00 -3.07 0.00 0.00 36.82 35.09 2k40 h ILE 30 CO -0.09 0.52 -0.02 -0.07 -0.69 0.00 0.00 178.15 177.80 2k40 h LEU 31 N 0.66 0.49 0.18 1.44 3.38 -0.92 -0.63 115.31 119.90 2k40 h LEU 31 Ca 0.05 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.71 2k40 h LEU 31 Cb 0.97 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 2k40 h LEU 31 CO 0.09 0.70 -0.45 -0.33 0.09 0.00 0.00 178.44 178.55 2k40 h GLU 32 N 0.28 -0.69 -0.55 1.13 4.39 -0.39 -0.07 114.58 118.68 2k40 h GLU 32 Ca 0.08 0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.79 2k40 h GLU 32 Cb 0.46 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.24 2k40 h GLU 32 CO 0.02 -0.46 0.22 0.22 -1.16 0.00 0.00 179.01 177.85 2k40 h ASP 33 N -0.72 0.72 -0.19 1.42 3.58 -0.89 0.15 116.42 120.49 2k40 h ASP 33 Ca 0.00 -0.09 0.00 0.00 0.42 0.00 0.00 57.03 57.37 2k40 h ASP 33 Cb 0.72 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 2k40 h ASP 33 CO -0.22 0.65 0.12 -0.07 -2.88 0.00 0.00 179.24 176.83 2k40 h LEU 34 N 0.78 0.22 0.32 2.28 3.38 -1.07 -1.93 115.31 119.28 2k40 h LEU 34 Ca 0.19 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2k40 h LEU 34 Cb 0.15 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2k40 h LEU 34 CO -0.02 0.18 -0.34 0.00 0.09 0.00 0.00 178.44 178.36 2k40 h ALA 35 N 1.05 -0.71 0.00 1.53 0.00 -0.28 0.14 119.26 120.99 2k40 h ALA 35 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k40 h ALA 35 Cb -0.00 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2k40 h ALA 35 CO -0.01 -0.93 0.00 1.04 0.00 0.00 0.00 179.25 179.34 2k40 n GLN 36 N -5.45 0.14 0.00 0.00 6.02 0.46 -1.31 117.38 117.24 2k40 n GLN 36 Ca -0.09 0.11 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 2k40 n GLN 36 Cb 0.35 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.11 2k40 n GLN 36 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2k40 n LYS 37 N -1.14 2.87 -0.06 -1.09 4.81 -0.73 -4.59 118.16 118.23 2k40 n LYS 37 Ca 0.04 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.60 2k40 n LYS 37 Cb 0.03 -0.69 0.22 0.00 0.02 0.00 0.00 35.03 34.61 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 -0.79 2.78 -3.94 3.14 4.77 0.43 -5.01 117.00 118.38 2k40 n LEU 38 Ca 0.00 -1.03 -0.42 0.00 -0.03 0.00 0.00 56.01 54.53 2k40 n LEU 38 Cb 0.00 -0.08 0.03 0.00 -2.33 0.00 0.00 43.42 41.04 2k40 n LEU 38 CO 0.00 0.52 -0.13 -3.20 -1.33 0.00 0.00 177.39 173.24 2k40 n ASN 39 N 1.11 -4.56 -4.69 -1.43 5.15 -0.48 -5.03 115.26 105.32 2k40 n ASN 39 Ca 0.17 -1.20 -0.30 0.00 -0.60 0.00 0.00 54.58 52.64 2k40 n ASN 39 Cb 0.54 -2.23 -0.09 0.00 -0.53 0.00 0.00 39.78 37.47 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 -7.11 2.64 0.42 1.20 1.43 -0.43 -5.04 118.68 111.80 2k40 s LEU 40 Ca 0.48 -1.47 0.04 0.00 -1.03 0.00 0.00 54.13 52.15 2k40 s LEU 40 Cb -0.24 -0.87 0.00 0.00 0.03 0.00 0.00 46.19 45.12 2k40 s LEU 40 CO 0.94 -0.64 0.60 -1.83 0.23 0.00 0.00 176.35 175.65 2k40 s GLU 41 N -3.81 2.95 0.20 1.70 1.03 -1.26 -4.11 118.70 115.40 2k40 s GLU 41 Ca 0.23 -0.85 -0.12 0.00 0.03 0.00 0.00 54.97 54.27 2k40 s GLU 41 Cb 0.06 -2.67 0.24 0.00 -0.80 0.00 0.00 34.13 30.95 2k40 s GLU 41 CO 0.12 -0.23 1.70 1.25 -1.33 0.00 0.00 175.26 176.77 2k40 h LEU 42 N 0.55 -0.04 -0.05 1.83 5.85 -1.94 -2.51 115.31 119.01 2k40 h LEU 42 Ca -0.44 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.42 2k40 h LEU 42 Cb 1.27 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 42.40 2k40 h LEU 42 CO 0.53 -0.00 -0.23 0.44 -0.34 0.00 0.00 178.44 178.84 2k40 h ASP 43 N 0.22 -0.69 0.28 1.25 5.19 -1.97 0.17 116.42 120.87 2k40 h ASP 43 Ca 0.28 0.10 -0.06 0.00 -0.62 0.00 0.00 57.03 56.73 2k40 h ASP 43 Cb 0.40 0.29 -0.01 0.00 0.18 0.00 0.00 39.33 40.20 2k40 h ASP 43 CO -0.38 -0.29 -0.28 0.03 -3.12 0.00 0.00 179.24 175.20 2k40 h ARG 44 N -0.33 0.00 0.16 3.56 3.08 -1.86 0.26 114.38 119.24 2k40 h ARG 44 Ca 0.08 -0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.81 2k40 h ARG 44 Cb 0.44 -0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.52 2k40 h ARG 44 CO -0.24 0.28 -1.32 0.82 -1.07 0.00 0.00 179.97 178.44 2k40 h ILE 45 N 0.00 1.28 -0.02 2.04 2.04 -1.35 -2.06 117.51 119.44 2k40 h ILE 45 Ca -0.00 -2.53 0.03 0.00 1.00 0.00 0.00 64.86 63.36 2k40 h ILE 45 Cb 0.49 2.79 -0.04 0.00 -0.74 0.00 0.00 36.82 39.31 2k40 h ILE 45 CO 0.04 0.77 -0.23 1.56 0.00 0.00 0.00 178.15 180.28 2k40 h GLN 46 N 0.25 -0.34 -0.59 2.37 4.20 -0.08 0.50 115.11 121.41 2k40 h GLN 46 Ca -0.21 0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.52 2k40 h GLN 46 Cb 1.99 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 29.82 2k40 h GLN 46 CO 0.25 -0.23 0.35 0.82 -0.67 0.00 0.00 178.83 179.35 2k40 h ILE 47 N -0.35 1.17 0.77 2.54 5.03 -0.63 0.76 117.51 126.80 2k40 h ILE 47 Ca 0.07 -0.39 -0.04 0.00 -0.12 0.00 0.00 64.86 64.38 2k40 h ILE 47 Cb 0.44 0.34 0.00 0.00 -3.03 0.00 0.00 36.82 34.58 2k40 h ILE 47 CO -0.22 0.18 -0.42 -0.25 -0.68 0.00 0.00 178.15 176.76 2k40 h TRP 48 N 0.82 -1.10 -0.23 1.37 7.01 -0.79 -0.96 115.95 122.06 2k40 h TRP 48 Ca 0.21 -0.02 0.05 0.00 2.11 0.00 0.00 58.89 61.24 2k40 h TRP 48 Cb -0.02 0.38 -0.04 0.00 -2.10 0.00 0.00 29.16 27.38 2k40 h TRP 48 CO 0.00 -0.65 -0.05 0.74 -2.79 0.00 0.00 178.44 175.69 2k40 h PHE 49 N -1.10 -0.11 -0.52 2.65 -1.00 -0.61 -1.50 116.94 114.76 2k40 h PHE 49 Ca -0.10 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.69 2k40 h PHE 49 Cb 0.86 0.08 -0.03 0.00 3.61 0.00 0.00 35.95 40.48 2k40 h PHE 49 CO -0.02 -0.09 0.29 1.96 -1.61 0.00 0.00 178.31 178.84 2k40 h GLN 50 N 0.01 0.70 0.16 1.51 1.08 -0.94 0.09 115.11 117.72 2k40 h GLN 50 Ca 0.11 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 2k40 h GLN 50 Cb 0.17 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2k40 h GLN 50 CO -0.23 0.51 -0.08 -0.91 -0.95 0.00 0.00 178.83 177.17 2k40 h ASN 51 N 0.71 -0.18 -0.32 1.46 2.35 -0.29 -0.79 115.58 118.52 2k40 h ASN 51 Ca 0.19 -0.17 0.02 0.00 -0.55 0.00 0.00 56.30 55.79 2k40 h ASN 51 Cb 0.00 0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 2k40 h ASN 51 CO -0.03 0.06 0.17 0.03 -1.65 0.00 0.00 177.43 176.01 2k40 h ARG 52 N -0.42 0.34 -0.41 0.81 2.47 -0.91 0.16 114.38 116.42 2k40 h ARG 52 Ca -0.02 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.64 2k40 h ARG 52 Cb 0.33 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.56 2k40 h ARG 52 CO 0.04 0.23 0.08 -0.09 0.56 0.00 0.00 179.97 180.78 2k40 h ARG 53 N 0.35 0.61 -0.03 0.04 1.12 -1.03 -0.61 114.38 114.84 2k40 h ARG 53 Ca 0.13 -0.11 -0.01 0.00 -1.11 0.00 0.00 59.98 58.88 2k40 h ARG 53 Cb 0.03 -0.10 -0.00 0.00 -0.01 0.00 0.00 29.97 29.89 2k40 h ARG 53 CO -0.08 0.58 -0.03 0.00 -3.11 0.00 0.00 179.97 177.34 2k40 h ALA 54 N 1.49 0.04 -0.48 2.80 0.00 -0.80 -3.30 119.26 119.01 2k40 h ALA 54 Ca 0.13 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 54.93 2k40 h ALA 54 Cb 0.26 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2k40 h ALA 54 CO 0.00 -0.19 0.36 -0.22 0.00 0.00 0.00 179.25 179.20 2k40 h LYS 55 N -0.40 0.00 0.04 0.00 3.64 -0.34 -1.03 116.57 118.48 2k40 h LYS 55 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2k40 h LYS 55 Cb 0.52 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2k40 h LYS 55 CO 0.01 0.00 -0.08 1.25 -2.27 0.00 0.00 179.45 178.36 2k40 h LEU 56 N 0.00 -0.21 -0.91 5.20 6.46 -1.20 -3.13 115.31 121.52 2k40 h LEU 56 Ca 0.23 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 58.00 2k40 h LEU 56 Cb 0.95 0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 40.92 2k40 h LEU 56 CO -0.00 -0.12 0.52 0.50 -0.62 0.00 0.00 178.44 178.72 2k40 h LYS 57 N -0.15 1.26 -2.57 1.25 3.11 -1.30 -2.29 116.57 115.88 2k40 h LYS 57 Ca 0.02 -0.13 -0.45 0.00 -2.81 0.00 0.00 60.65 57.27 2k40 h LYS 57 Cb 0.17 -0.25 -0.01 0.00 -1.00 0.00 0.00 32.23 31.13 2k40 h LYS 57 CO -0.05 0.90 1.96 0.54 -2.81 0.00 0.00 179.45 180.00 2k40 n ARG 58 N -4.35 2.92 -4.03 1.90 5.12 -1.13 -4.84 116.66 112.26 2k40 n ARG 58 Ca 0.10 -1.65 -0.10 0.00 -1.93 0.00 0.00 57.85 54.27 2k40 n ARG 58 Cb 0.08 -2.44 -0.06 0.00 -1.16 0.00 0.00 32.46 28.88 2k40 n ARG 58 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2k40 s SER 59 N 2.12 -0.02 -0.42 0.55 1.04 -0.86 -4.91 113.70 111.20 2k40 s SER 59 Ca 0.68 -1.02 0.04 0.00 0.48 0.00 0.00 55.95 56.13 2k40 s SER 59 Cb 0.24 0.56 0.17 0.00 0.10 0.00 0.00 66.02 67.09 2k40 s SER 59 CO -0.03 -1.11 0.38 -1.38 0.98 0.00 0.00 173.24 172.08 2k40 s HIS 60 N -3.99 0.52 0.11 5.02 -3.43 -1.26 -5.06 115.29 107.21 2k40 s HIS 60 Ca 0.25 -1.86 -0.02 0.00 -0.80 0.00 0.00 55.06 52.63 2k40 s HIS 60 Cb 0.00 -0.69 -0.03 0.00 -1.43 0.00 0.00 32.58 30.43 2k40 s HIS 60 CO 0.10 -0.91 0.07 0.50 -2.00 0.00 0.00 174.74 172.50 2k40 s ARG 61 N 0.42 0.87 0.02 -0.38 3.00 -1.26 -5.19 118.95 116.43 2k40 s ARG 61 Ca 0.29 -1.33 0.01 0.00 -1.00 0.00 0.00 55.73 53.71 2k40 s ARG 61 Cb -0.01 0.26 -0.02 0.00 0.00 0.00 0.00 34.95 35.17 2k40 s ARG 61 CO -0.14 -0.24 -0.05 -2.00 0.00 0.00 0.00 175.30 172.87 2k40 s GLU 62 N -4.00 0.38 -0.08 5.12 2.12 -1.26 -5.17 118.70 115.81 2k40 s GLU 62 Ca 0.18 -0.51 -0.01 0.00 0.36 0.00 0.00 54.97 55.00 2k40 s GLU 62 Cb 0.07 -0.17 -0.03 0.00 0.26 0.00 0.00 34.13 34.26 2k40 s GLU 62 CO -0.02 0.03 -0.04 -1.12 -0.54 0.00 0.00 175.26 173.57 2k40 s SER 63 N -1.05 4.87 0.04 -1.70 0.01 -1.26 -5.10 113.70 109.50 2k40 s SER 63 Ca -0.08 0.03 -0.30 0.00 1.31 0.00 0.00 55.95 56.91 2k40 s SER 63 Cb -0.07 -1.34 -0.04 0.00 0.21 0.00 0.00 66.02 64.78 2k40 s SER 63 CO -0.00 0.35 1.01 -1.58 0.41 0.00 0.00 173.24 173.43 2k40 s GLN 64 N -0.72 4.57 1.03 12.44 0.74 -1.26 -5.04 119.66 131.42 2k40 s GLN 64 Ca 0.11 1.49 -0.13 0.00 0.05 0.00 0.00 55.36 56.88 2k40 s GLN 64 Cb -0.11 -3.42 0.21 0.00 1.10 0.00 0.00 33.01 30.78 2k40 s GLN 64 CO 0.02 -0.02 1.09 0.12 -0.55 0.00 0.00 175.29 175.95 2k40 s PHE 65 N 0.74 1.92 0.36 1.67 5.36 -1.26 -5.11 117.98 121.67 2k40 s PHE 65 Ca 0.52 0.93 0.07 0.00 -0.96 0.00 0.00 56.93 57.48 2k40 s PHE 65 Cb -0.23 -3.28 -0.03 0.00 -0.34 0.00 0.00 43.02 39.14 2k40 s PHE 65 CO 0.29 -3.07 0.24 -1.17 -1.46 0.00 0.00 175.22 170.06 2k40 s LEU 66 N -6.56 1.83 0.00 6.12 2.96 -1.26 -5.36 118.68 116.42 2k40 s LEU 66 Ca 0.66 -1.76 0.00 0.00 -0.22 0.00 0.00 54.13 52.81 2k40 s LEU 66 Cb -0.18 0.39 0.00 0.00 0.50 0.00 0.00 46.19 46.90 2k40 s LEU 66 CO 0.58 -1.05 0.27 0.23 -1.32 0.00 0.00 176.35 175.06