#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 1.97 0.45 1.61 1.70 -1.26 -5.06 118.95 118.35 2k40 s ARG 2 Ca 0.00 -0.51 0.00 0.00 -0.47 0.00 0.00 55.73 54.75 2k40 s ARG 2 Cb 0.00 -1.59 0.00 0.00 -0.57 0.00 0.00 34.95 32.79 2k40 s ARG 2 CO 0.00 0.06 0.00 0.54 -1.08 0.00 0.00 175.30 174.82 2k40 n ARG 3 N 3.74 -2.76 -0.97 3.89 1.74 -1.26 -4.99 116.66 116.05 2k40 n ARG 3 Ca -0.22 2.10 -0.16 0.00 -0.77 0.00 0.00 57.85 58.80 2k40 n ARG 3 Cb 0.52 -3.35 0.12 0.00 -1.02 0.00 0.00 32.46 28.72 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 -4.04 -0.97 -3.18 5.56 -0.04 -1.26 -4.84 135.00 126.23 2k40 n PRO 4 Ca -0.04 -1.11 -0.19 0.00 -0.04 0.00 0.00 63.50 62.12 2k40 n PRO 4 Cb 0.65 -0.78 0.02 0.00 -0.04 0.00 0.00 33.50 33.35 2k40 n PRO 4 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2k40 n ARG 5 N -2.69 -1.94 -2.38 0.54 0.63 -1.26 -4.95 116.66 104.60 2k40 n ARG 5 Ca 0.09 1.66 -0.42 0.00 -0.92 0.00 0.00 57.85 58.26 2k40 n ARG 5 Cb 0.32 -3.24 -0.03 0.00 0.45 0.00 0.00 32.46 29.96 2k40 n ARG 5 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2k40 s THR 6 N -1.71 3.92 0.17 5.15 2.01 -1.26 -5.06 115.64 118.85 2k40 s THR 6 Ca 0.23 1.37 -0.01 0.00 0.31 0.00 0.00 61.69 63.60 2k40 s THR 6 Cb -0.04 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.55 2k40 s THR 6 CO 0.68 0.10 0.09 0.00 -0.69 0.00 0.00 174.62 174.80 2k40 s ALA 7 N 1.12 1.05 0.21 7.40 0.00 -1.26 -4.16 121.76 126.12 2k40 s ALA 7 Ca 0.60 -1.59 0.02 0.00 0.00 0.00 0.00 51.96 50.99 2k40 s ALA 7 Cb -0.31 1.09 -0.01 0.00 0.00 0.00 0.00 23.12 23.90 2k40 s ALA 7 CO 0.29 -0.52 0.07 1.19 0.00 0.00 0.00 175.76 176.79 2k40 n PHE 8 N -0.19 0.08 -2.67 0.00 3.72 -1.26 -5.15 117.46 111.98 2k40 n PHE 8 Ca -0.02 -1.33 -0.33 0.00 -0.05 0.00 0.00 57.45 55.72 2k40 n PHE 8 Cb 0.65 -0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.13 2k40 n PHE 8 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2k40 s THR 9 N -2.31 4.37 0.19 4.37 -4.23 -1.26 -4.84 115.64 111.93 2k40 s THR 9 Ca 0.10 1.38 -0.12 0.00 -1.18 0.00 0.00 61.69 61.87 2k40 s THR 9 Cb 0.01 -3.62 0.10 0.00 1.34 0.00 0.00 72.50 70.33 2k40 s THR 9 CO 0.07 -0.42 1.79 -0.61 -0.54 0.00 0.00 174.62 174.91 2k40 h GLN 10 N 1.59 0.53 0.00 3.99 4.15 -2.02 -0.98 115.11 122.37 2k40 h GLN 10 Ca -0.48 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 58.90 2k40 h GLN 10 Cb 1.18 -0.12 -0.00 0.00 0.21 0.00 0.00 27.48 28.76 2k40 h GLN 10 CO 0.61 0.35 -0.01 -0.97 -1.93 0.00 0.00 178.83 176.88 2k40 h ASN 11 N 0.55 0.00 0.27 -0.69 -0.00 -1.99 0.10 115.58 113.82 2k40 h ASN 11 Ca 0.25 0.00 -0.34 0.00 -0.00 0.00 0.00 56.30 56.22 2k40 h ASN 11 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.50 2k40 h ASN 11 CO -0.18 0.01 -1.69 -0.61 -0.00 0.00 0.00 177.43 174.96 2k40 h GLN 12 N 0.00 0.35 -0.03 6.67 4.15 -1.62 -3.31 115.11 121.32 2k40 h GLN 12 Ca -0.00 -0.60 0.02 0.00 0.77 0.00 0.00 58.65 58.84 2k40 h GLN 12 Cb 0.07 0.22 -0.02 0.00 0.21 0.00 0.00 27.48 27.96 2k40 h GLN 12 CO 0.00 1.25 -0.07 0.82 -1.93 0.00 0.00 178.83 178.90 2k40 h ILE 13 N 0.10 0.80 0.00 2.39 1.08 -0.08 -2.66 117.51 119.14 2k40 h ILE 13 Ca -0.31 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.16 2k40 h ILE 13 Cb 2.08 0.80 0.00 0.00 -3.07 0.00 0.00 36.82 36.63 2k40 h ILE 13 CO 0.17 0.00 0.00 -0.33 -0.69 0.00 0.00 178.15 177.30 2k40 h GLU 14 N -0.12 0.00 0.11 2.37 4.39 -1.01 0.24 114.58 120.55 2k40 h GLU 14 Ca 0.04 0.00 -0.22 0.00 0.34 0.00 0.00 59.36 59.52 2k40 h GLU 14 Cb 0.17 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2k40 h GLU 14 CO -0.10 0.00 -0.94 0.28 -1.16 0.00 0.00 179.01 177.09 2k40 h VAL 15 N 0.00 1.40 -0.05 3.13 2.07 -1.63 -2.86 116.25 118.31 2k40 h VAL 15 Ca 0.00 -2.40 -0.01 0.00 0.82 0.00 0.00 66.70 65.11 2k40 h VAL 15 Cb 0.29 2.87 -0.00 0.00 -1.52 0.00 0.00 31.29 32.93 2k40 h VAL 15 CO 0.00 0.70 -0.02 -0.07 0.02 0.00 0.00 177.57 178.20 2k40 h LEU 16 N -0.06 0.11 -0.97 2.57 3.38 -0.93 -1.98 115.31 117.43 2k40 h LEU 16 Ca -0.15 -0.40 0.09 0.00 0.09 0.00 0.00 57.88 57.52 2k40 h LEU 16 Cb 1.68 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 42.32 2k40 h LEU 16 CO 0.18 0.48 0.61 -0.33 0.09 0.00 0.00 178.44 179.47 2k40 h GLU 17 N -0.26 1.00 0.00 1.13 4.39 -0.76 0.31 114.58 120.39 2k40 h GLU 17 Ca 0.01 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2k40 h GLU 17 Cb 0.44 -0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 28.86 2k40 h GLU 17 CO 0.01 0.66 -0.09 -0.97 -1.16 0.00 0.00 179.01 177.46 2k40 h ASN 18 N 1.03 0.00 0.11 1.42 -1.24 -1.31 -0.19 115.58 115.40 2k40 h ASN 18 Ca 0.45 0.00 -0.16 0.00 0.71 0.00 0.00 56.30 57.30 2k40 h ASN 18 Cb 0.32 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.39 2k40 h ASN 18 CO -0.22 0.09 -0.68 0.58 -1.29 0.00 0.00 177.43 175.90 2k40 h VAL 19 N 0.00 1.55 -0.87 2.57 2.07 -0.56 -3.37 116.25 117.64 2k40 h VAL 19 Ca -0.00 -2.47 0.12 0.00 0.82 0.00 0.00 66.70 65.17 2k40 h VAL 19 Cb 0.23 3.18 -0.08 0.00 -1.52 0.00 0.00 31.29 33.09 2k40 h VAL 19 CO 0.01 0.69 0.49 0.15 0.02 0.00 0.00 177.57 178.93 2k40 h PHE 20 N -0.43 0.88 0.00 1.57 3.57 -0.29 0.21 116.94 122.44 2k40 h PHE 20 Ca -0.12 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2k40 h PHE 20 Cb 1.52 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 40.00 2k40 h PHE 20 CO 0.20 0.30 0.00 2.89 -2.23 0.00 0.00 178.31 179.48 2k40 n ARG 21 N -4.77 0.15 -0.06 1.11 -4.01 -0.15 -1.89 116.66 107.05 2k40 n ARG 21 Ca 0.16 0.19 -0.08 0.00 -1.04 0.00 0.00 57.85 57.08 2k40 n ARG 21 Cb 0.36 -1.50 -0.06 0.00 -3.04 0.00 0.00 32.46 28.22 2k40 n ARG 21 CO 0.00 0.00 0.00 0.28 -3.04 0.00 0.00 177.63 174.87 2k40 n VAL 22 N -1.32 0.69 -3.50 8.89 0.31 -0.04 -4.91 118.33 118.45 2k40 n VAL 22 Ca 0.06 -0.29 -0.27 0.00 -0.01 0.00 0.00 64.34 63.82 2k40 n VAL 22 Cb 0.11 -0.90 -0.13 0.00 -0.91 0.00 0.00 33.84 32.01 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 -5.00 3.05 0.45 4.52 0.01 0.52 -5.02 114.94 113.47 2k40 s ASN 23 Ca -0.14 -1.42 0.16 0.00 -0.71 0.00 0.00 52.86 50.75 2k40 s ASN 23 Cb 0.04 -0.20 1.10 0.00 0.41 0.00 0.00 41.25 42.60 2k40 s ASN 23 CO 0.30 -0.40 1.96 0.00 -1.51 0.00 0.00 177.10 177.46 2k40 s TYR 25 N -5.33 3.26 1.16 0.00 2.02 -1.26 -4.95 117.35 112.25 2k40 s TYR 25 Ca -0.07 -2.56 -0.19 0.00 -0.37 0.00 0.00 57.07 53.87 2k40 s TYR 25 Cb 0.20 -2.39 0.28 0.00 -0.40 0.00 0.00 41.96 39.65 2k40 s TYR 25 CO 0.75 -0.90 1.21 -1.25 -1.57 0.00 0.00 175.55 173.78 2k40 s PRO 26 N 1.08 -0.90 0.65 -1.71 0.04 -1.21 -5.09 135.00 127.86 2k40 s PRO 26 Ca 0.04 -0.34 -0.08 0.00 0.04 0.00 0.00 61.00 60.66 2k40 s PRO 26 Cb -0.19 -1.66 0.02 0.00 0.04 0.00 0.00 34.50 32.71 2k40 s PRO 26 CO -0.09 -3.45 0.99 0.20 0.04 0.00 0.00 177.00 174.69 2k40 s GLY 27 N -4.38 1.62 0.23 0.56 0.00 -1.26 -4.95 107.32 99.14 2k40 s GLY 27 Ca 0.74 -0.58 -0.02 0.00 0.00 0.00 0.00 44.72 44.87 2k40 s GLY 27 CO 0.55 -0.25 1.64 -2.22 0.00 0.00 0.00 173.10 172.82 2k40 h ILE 28 N -0.41 1.28 -0.68 0.90 1.08 -1.98 -1.06 117.51 116.64 2k40 h ILE 28 Ca -0.45 -1.38 0.03 0.00 -0.39 0.00 0.00 64.86 62.67 2k40 h ILE 28 Cb 1.26 1.34 -0.04 0.00 -3.07 0.00 0.00 36.82 36.31 2k40 h ILE 28 CO 0.62 0.45 0.45 -0.78 -0.69 0.00 0.00 178.15 178.19 2k40 h ASP 29 N 0.56 0.71 -0.05 1.72 1.82 -1.97 0.25 116.42 119.45 2k40 h ASP 29 Ca 0.07 -0.01 -0.21 0.00 -0.39 0.00 0.00 57.03 56.49 2k40 h ASP 29 Cb 0.76 -0.17 0.01 0.00 0.68 0.00 0.00 39.33 40.62 2k40 h ASP 29 CO 0.06 0.49 -0.77 0.40 -1.61 0.00 0.00 179.24 177.81 2k40 h ILE 30 N 0.82 1.30 -0.26 2.25 2.04 -1.82 0.13 117.51 121.96 2k40 h ILE 30 Ca 0.27 -2.02 -0.01 0.00 1.00 0.00 0.00 64.86 64.10 2k40 h ILE 30 Cb 0.05 2.01 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 2k40 h ILE 30 CO -0.07 0.63 0.11 -0.07 0.00 0.00 0.00 178.15 178.75 2k40 h LEU 31 N 0.48 0.36 -0.16 1.44 3.38 -0.81 -0.82 115.31 119.18 2k40 h LEU 31 Ca -0.05 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.80 2k40 h LEU 31 Cb 1.39 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 42.00 2k40 h LEU 31 CO 0.15 0.43 -0.11 -0.33 0.09 0.00 0.00 178.44 178.67 2k40 h GLU 32 N 0.28 -0.11 -0.79 1.13 5.08 -0.53 0.08 114.58 119.72 2k40 h GLU 32 Ca 0.09 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 2k40 h GLU 32 Cb 0.18 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.41 2k40 h GLU 32 CO -0.01 -0.07 0.46 0.22 -1.00 0.00 0.00 179.01 178.61 2k40 h ASP 33 N -0.12 0.96 -0.34 1.42 3.58 -0.66 0.19 116.42 121.44 2k40 h ASP 33 Ca 0.10 -0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.45 2k40 h ASP 33 Cb 0.26 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.05 2k40 h ASP 33 CO -0.23 0.76 0.15 -0.07 -2.88 0.00 0.00 179.24 176.96 2k40 h LEU 34 N 1.08 0.47 0.11 2.28 3.38 -1.08 -1.68 115.31 119.87 2k40 h LEU 34 Ca 0.28 -0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.11 2k40 h LEU 34 Cb -0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 2k40 h LEU 34 CO -0.05 0.49 -0.18 0.00 0.09 0.00 0.00 178.44 178.79 2k40 h ALA 35 N 1.00 -0.31 -0.98 1.53 0.00 -0.53 0.56 119.26 120.53 2k40 h ALA 35 Ca 0.12 -0.03 0.14 0.00 0.00 0.00 0.00 54.91 55.14 2k40 h ALA 35 Cb 0.16 0.29 -0.09 0.00 0.00 0.00 0.00 17.79 18.14 2k40 h ALA 35 CO -0.01 -0.71 0.60 0.37 0.00 0.00 0.00 179.25 179.50 2k40 h GLN 36 N -0.35 0.86 0.00 0.00 5.75 -0.60 -2.06 115.11 118.71 2k40 h GLN 36 Ca 0.02 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.47 2k40 h GLN 36 Cb 0.37 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.73 2k40 h GLN 36 CO -0.10 0.57 -1.19 0.36 -2.65 0.00 0.00 178.83 175.82 2k40 n LYS 37 N -4.69 0.61 0.00 1.69 2.85 -0.64 -4.23 118.16 113.75 2k40 n LYS 37 Ca 0.20 -0.05 0.11 0.00 -1.05 0.00 0.00 58.31 57.52 2k40 n LYS 37 Cb 0.42 -1.43 0.01 0.00 -0.65 0.00 0.00 35.03 33.37 2k40 n LYS 37 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2k40 n LEU 38 N -1.66 2.00 -3.47 -5.58 4.77 0.17 -5.00 117.00 108.23 2k40 n LEU 38 Ca 0.02 -0.74 -0.20 0.00 -0.03 0.00 0.00 56.01 55.05 2k40 n LEU 38 Cb 0.36 -0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.51 2k40 n LEU 38 CO 0.40 0.37 0.00 -3.20 -1.33 0.00 0.00 177.39 173.63 2k40 n ASN 39 N -0.05 -4.27 -4.37 -1.43 4.05 -0.82 -5.04 115.26 103.33 2k40 n ASN 39 Ca 0.09 -0.78 -0.28 0.00 0.45 0.00 0.00 54.58 54.06 2k40 n ASN 39 Cb 0.47 -4.57 -0.08 0.00 1.23 0.00 0.00 39.78 36.82 2k40 n ASN 39 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2k40 s LEU 40 N -6.08 2.13 0.28 1.20 1.43 -0.92 -5.08 118.68 111.64 2k40 s LEU 40 Ca 0.27 -1.66 0.07 0.00 -1.03 0.00 0.00 54.13 51.78 2k40 s LEU 40 Cb -0.06 -0.36 -0.03 0.00 0.03 0.00 0.00 46.19 45.78 2k40 s LEU 40 CO 0.78 -0.89 0.29 -1.83 0.23 0.00 0.00 176.35 174.93 2k40 s GLU 41 N -3.77 2.99 0.24 1.70 1.03 -1.26 -4.45 118.70 115.17 2k40 s GLU 41 Ca 0.18 -1.06 -0.12 0.00 0.03 0.00 0.00 54.97 54.00 2k40 s GLU 41 Cb 0.02 -2.63 0.33 0.00 -0.80 0.00 0.00 34.13 31.05 2k40 s GLU 41 CO 0.10 0.28 1.59 1.25 -1.33 0.00 0.00 175.26 177.16 2k40 h LEU 42 N 1.29 -0.80 -0.29 1.83 7.12 -1.95 -2.24 115.31 120.27 2k40 h LEU 42 Ca -0.48 0.24 0.02 0.00 0.13 0.00 0.00 57.88 57.80 2k40 h LEU 42 Cb 1.24 0.51 -0.02 0.00 -0.53 0.00 0.00 40.66 41.86 2k40 h LEU 42 CO 0.59 -0.27 0.14 -0.78 -0.13 0.00 0.00 178.44 177.99 2k40 h ASP 43 N -0.01 0.21 -0.45 1.25 3.58 -1.97 0.14 116.42 119.17 2k40 h ASP 43 Ca 0.38 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.79 2k40 h ASP 43 Cb 0.59 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.59 2k40 h ASP 43 CO -0.83 0.16 0.10 0.03 -2.88 0.00 0.00 179.24 175.83 2k40 h ARG 44 N 0.30 0.80 -0.08 0.28 3.08 -1.83 0.21 114.38 117.15 2k40 h ARG 44 Ca 0.12 -0.17 -0.19 0.00 0.07 0.00 0.00 59.98 59.81 2k40 h ARG 44 Cb 0.04 -0.12 0.01 0.00 0.08 0.00 0.00 29.97 29.98 2k40 h ARG 44 CO -0.08 0.74 -0.70 0.82 -1.07 0.00 0.00 179.97 179.68 2k40 h ILE 45 N 0.77 1.34 -0.26 2.04 2.04 -1.28 -1.27 117.51 120.88 2k40 h ILE 45 Ca 0.17 -1.99 0.06 0.00 1.00 0.00 0.00 64.86 64.10 2k40 h ILE 45 Cb 0.32 2.25 -0.07 0.00 -0.74 0.00 0.00 36.82 38.58 2k40 h ILE 45 CO 0.00 0.61 -0.19 1.56 0.00 0.00 0.00 178.15 180.13 2k40 h GLN 46 N 0.24 -0.17 -0.66 2.37 1.08 -0.57 0.97 115.11 118.37 2k40 h GLN 46 Ca -0.06 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.17 2k40 h GLN 46 Cb 1.35 0.04 -0.04 0.00 -0.05 0.00 0.00 27.48 28.78 2k40 h GLN 46 CO 0.14 -0.11 0.42 0.82 -0.95 0.00 0.00 178.83 179.15 2k40 h ILE 47 N -0.18 1.11 0.35 2.54 2.04 -0.98 -0.74 117.51 121.65 2k40 h ILE 47 Ca 0.14 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 2k40 h ILE 47 Cb 0.40 0.20 -0.01 0.00 -0.74 0.00 0.00 36.82 36.66 2k40 h ILE 47 CO -0.37 0.15 -0.27 -0.25 0.00 0.00 0.00 178.15 177.41 2k40 h TRP 48 N 0.84 -0.71 -0.38 1.37 7.01 -0.53 -0.02 115.95 123.52 2k40 h TRP 48 Ca 0.26 -0.00 0.02 0.00 2.11 0.00 0.00 58.89 61.27 2k40 h TRP 48 Cb -0.02 0.27 -0.03 0.00 -2.10 0.00 0.00 29.16 27.28 2k40 h TRP 48 CO -0.04 -0.40 0.22 0.74 -2.79 0.00 0.00 178.44 176.17 2k40 h PHE 49 N -0.62 0.41 -0.54 2.65 -1.00 -0.57 -0.03 116.94 117.24 2k40 h PHE 49 Ca -0.03 0.01 -0.06 0.00 2.81 0.00 0.00 57.97 60.70 2k40 h PHE 49 Cb 0.54 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.95 2k40 h PHE 49 CO -0.14 0.24 0.10 1.96 -1.61 0.00 0.00 178.31 178.86 2k40 h GLN 50 N 0.45 0.89 -0.78 1.51 4.20 -1.16 -0.85 115.11 119.38 2k40 h GLN 50 Ca 0.15 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 2k40 h GLN 50 Cb 0.01 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 27.64 2k40 h GLN 50 CO -0.07 0.86 0.44 -0.91 -0.67 0.00 0.00 178.83 178.48 2k40 h ASN 51 N 0.78 0.95 0.74 1.46 2.35 -0.64 -0.79 115.58 120.44 2k40 h ASN 51 Ca 0.17 -0.07 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 2k40 h ASN 51 Cb 0.39 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.52 2k40 h ASN 51 CO 0.01 0.75 -0.41 0.03 -1.65 0.00 0.00 177.43 176.16 2k40 h ARG 52 N 1.08 -1.03 -0.89 0.81 -0.00 -0.60 0.52 114.38 114.28 2k40 h ARG 52 Ca 0.28 0.07 0.04 0.00 -0.50 0.00 0.00 59.98 59.87 2k40 h ARG 52 Cb 0.00 0.23 -0.06 0.00 0.00 0.00 0.00 29.97 30.15 2k40 h ARG 52 CO -0.05 -0.69 0.57 -0.09 0.00 0.00 0.00 179.97 179.71 2k40 h ARG 53 N -1.07 1.05 -0.22 0.04 1.12 -1.10 -0.44 114.38 113.77 2k40 h ARG 53 Ca -0.10 -0.06 0.03 0.00 -1.11 0.00 0.00 59.98 58.74 2k40 h ARG 53 Cb 0.85 -0.24 -0.03 0.00 -0.01 0.00 0.00 29.97 30.54 2k40 h ARG 53 CO 0.12 0.70 0.05 0.00 -3.11 0.00 0.00 179.97 177.73 2k40 h ALA 54 N 1.38 0.23 -0.43 2.80 0.00 -1.08 -3.12 119.26 119.04 2k40 h ALA 54 Ca 0.36 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 2k40 h ALA 54 Cb 0.05 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2k40 h ALA 54 CO -0.13 -0.38 0.17 -0.22 0.00 0.00 0.00 179.25 178.69 2k40 h LYS 55 N 0.13 0.65 0.00 0.00 3.11 -0.33 -3.18 116.57 116.96 2k40 h LYS 55 Ca 0.10 -0.12 -0.03 0.00 -2.81 0.00 0.00 60.65 57.79 2k40 h LYS 55 Cb 0.09 -0.10 -0.00 0.00 -1.00 0.00 0.00 32.23 31.22 2k40 h LYS 55 CO -0.13 0.60 -0.14 -0.07 -2.81 0.00 0.00 179.45 176.90 2k40 h LEU 56 N 0.55 0.00 -0.54 5.20 3.38 -1.04 0.11 115.31 122.97 2k40 h LEU 56 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2k40 h LEU 56 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2k40 h LEU 56 CO -0.01 0.14 -0.03 2.29 0.09 0.00 0.00 178.44 180.92 2k40 n LYS 57 N -4.13 1.29 -0.51 1.13 2.85 -1.20 -5.02 118.16 112.57 2k40 n LYS 57 Ca -0.02 -0.54 0.00 0.00 -1.05 0.00 0.00 58.31 56.69 2k40 n LYS 57 Cb 0.21 -1.49 0.00 0.00 -0.65 0.00 0.00 35.03 33.11 2k40 n LYS 57 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2k40 n ARG 58 N -0.38 0.00 -1.68 -1.58 0.00 0.39 -4.85 116.66 108.56 2k40 n ARG 58 Ca 0.20 0.00 -0.44 0.00 -0.00 0.00 0.00 57.85 57.61 2k40 n ARG 58 Cb 0.27 0.00 -0.01 0.00 0.00 0.00 0.00 32.46 32.71 2k40 n ARG 58 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2k40 n SER 59 N 0.82 2.58 -3.53 6.15 7.64 -1.26 -5.05 113.62 120.97 2k40 n SER 59 Ca 0.00 1.18 -0.12 0.00 1.01 0.00 0.00 58.87 60.94 2k40 n SER 59 Cb 0.00 -1.44 -0.04 0.00 -1.01 0.00 0.00 64.21 61.72 2k40 n SER 59 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 2k40 s HIS 60 N -0.73 0.77 0.29 1.43 -3.43 -1.26 -5.14 115.29 107.21 2k40 s HIS 60 Ca 0.60 -1.08 -0.07 0.00 -0.80 0.00 0.00 55.06 53.72 2k40 s HIS 60 Cb -0.61 0.05 0.03 0.00 -1.43 0.00 0.00 32.58 30.61 2k40 s HIS 60 CO 0.58 -1.09 0.50 -2.13 -2.00 0.00 0.00 174.74 170.60 2k40 n ARG 61 N -0.48 0.72 -1.47 -0.38 0.63 -1.26 -5.12 116.66 109.30 2k40 n ARG 61 Ca -0.01 -1.96 -0.46 0.00 -0.92 0.00 0.00 57.85 54.51 2k40 n ARG 61 Cb 0.62 2.14 -0.08 0.00 0.45 0.00 0.00 32.46 35.59 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 -0.43 0.84 -4.07 -0.14 1.02 -1.26 -4.95 120.64 111.64 2k40 n GLU 62 Ca -0.03 0.16 -0.10 0.00 -0.02 0.00 0.00 57.16 57.17 2k40 n GLU 62 Cb 0.46 -2.47 -0.07 0.00 -0.02 0.00 0.00 31.44 29.34 2k40 n GLU 62 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2k40 s SER 63 N 8.69 0.01 0.06 1.62 0.15 -1.26 -5.20 113.70 117.77 2k40 s SER 63 Ca 1.12 -1.09 -0.12 0.00 0.70 0.00 0.00 55.95 56.56 2k40 s SER 63 Cb -0.80 0.50 0.01 0.00 -1.71 0.00 0.00 66.02 64.02 2k40 s SER 63 CO 0.44 -1.01 0.27 0.00 1.20 0.00 0.00 173.24 174.14 2k40 s GLN 64 N -4.07 0.81 0.00 5.44 -2.07 -1.26 -5.04 119.66 113.48 2k40 s GLN 64 Ca 0.28 -0.62 0.29 0.00 -1.82 0.00 0.00 55.36 53.49 2k40 s GLN 64 Cb 0.02 0.34 1.36 0.00 -1.09 0.00 0.00 33.01 33.65 2k40 s GLN 64 CO 0.09 -0.26 1.97 0.34 -1.32 0.00 0.00 175.29 176.12 2k40 n PHE 65 N 0.43 0.00 0.00 9.60 -0.00 -1.26 -5.02 117.46 121.22 2k40 n PHE 65 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.27 2k40 n PHE 65 Cb 0.60 -0.39 0.00 0.00 -0.00 0.00 0.00 39.48 39.69 2k40 n PHE 65 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.76 176.65 2k40 n LEU 66 N -1.39 0.00 0.00 -2.13 7.94 -1.26 -5.41 117.00 114.76 2k40 n LEU 66 Ca 0.11 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 2k40 n LEU 66 Cb 0.28 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.23 2k40 n LEU 66 CO 0.24 0.00 0.00 1.15 -1.11 0.00 0.00 177.39 177.67