#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 0.94 -3.93 1.61 1.74 -1.26 -4.92 116.66 110.85 2k40 n ARG 2 Ca 0.00 -0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 56.98 2k40 n ARG 2 Cb 0.00 -3.26 -0.06 0.00 -1.02 0.00 0.00 32.46 28.12 2k40 n ARG 2 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2k40 s ARG 3 N 8.34 1.24 0.66 5.56 0.52 -1.26 -5.20 118.95 128.82 2k40 s ARG 3 Ca 1.02 -1.13 -0.11 0.00 -0.52 0.00 0.00 55.73 54.99 2k40 s ARG 3 Cb -0.28 0.41 0.16 0.00 0.52 0.00 0.00 34.95 35.76 2k40 s ARG 3 CO 0.28 -0.47 0.75 -0.35 0.02 0.00 0.00 175.30 175.53 2k40 n PRO 4 N -0.26 -1.47 -3.80 3.54 -0.04 -1.26 -4.65 135.00 127.06 2k40 n PRO 4 Ca -0.07 -1.17 -0.36 0.00 -0.04 0.00 0.00 63.50 61.86 2k40 n PRO 4 Cb 0.63 -0.91 0.04 0.00 -0.04 0.00 0.00 33.50 33.22 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 -3.08 -0.93 -1.98 0.54 0.00 -1.26 -4.95 116.66 104.99 2k40 n ARG 5 Ca 0.10 0.34 -0.41 0.00 -0.00 0.00 0.00 57.85 57.88 2k40 n ARG 5 Cb 0.35 -3.66 -0.02 0.00 0.00 0.00 0.00 32.46 29.14 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 -3.48 2.61 0.15 5.15 2.01 -1.26 -5.06 115.64 115.76 2k40 s THR 6 Ca 0.48 0.50 0.01 0.00 0.31 0.00 0.00 61.69 62.99 2k40 s THR 6 Cb -0.20 -3.32 -0.04 0.00 0.01 0.00 0.00 72.50 68.95 2k40 s THR 6 CO 0.89 0.07 0.02 0.00 -0.69 0.00 0.00 174.62 174.92 2k40 s ALA 7 N 0.19 1.16 0.45 7.40 0.00 -1.26 -4.60 121.76 125.10 2k40 s ALA 7 Ca 0.61 -1.54 0.03 0.00 0.00 0.00 0.00 51.96 51.07 2k40 s ALA 7 Cb -0.43 0.64 -0.01 0.00 0.00 0.00 0.00 23.12 23.33 2k40 s ALA 7 CO 0.42 -0.38 0.12 -0.06 0.00 0.00 0.00 175.76 175.86 2k40 s PHE 8 N -3.80 1.77 0.55 0.00 0.08 -1.26 -5.14 117.98 110.18 2k40 s PHE 8 Ca 0.23 -1.28 -0.21 0.00 0.12 0.00 0.00 56.93 55.78 2k40 s PHE 8 Cb 0.07 -1.23 -0.05 0.00 -0.57 0.00 0.00 43.02 41.23 2k40 s PHE 8 CO 0.03 -0.25 1.33 -2.37 -0.10 0.00 0.00 175.22 173.86 2k40 n THR 9 N -1.04 3.85 -0.24 0.64 5.66 -1.26 -4.77 114.28 117.12 2k40 n THR 9 Ca -0.10 -0.50 0.09 0.00 -3.05 0.00 0.00 64.05 60.50 2k40 n THR 9 Cb 0.65 -1.62 0.36 0.00 -1.55 0.00 0.00 70.33 68.17 2k40 n THR 9 CO 0.00 0.00 0.00 0.06 -3.05 0.00 0.00 175.07 172.08 2k40 h GLN 10 N 1.34 0.71 0.00 1.09 3.07 -2.01 -0.69 115.11 118.63 2k40 h GLN 10 Ca -0.51 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.19 2k40 h GLN 10 Cb 1.31 -0.16 0.00 0.00 0.08 0.00 0.00 27.48 28.71 2k40 h GLN 10 CO 0.57 0.47 0.00 -0.97 0.09 0.00 0.00 178.83 178.99 2k40 h ASN 11 N 0.73 0.00 0.00 0.06 -0.00 -2.01 -0.21 115.58 114.16 2k40 h ASN 11 Ca 0.39 0.00 -0.43 0.00 -0.00 0.00 0.00 56.30 56.26 2k40 h ASN 11 Cb 0.51 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 38.76 2k40 h ASN 11 CO -0.16 0.00 -2.44 1.67 -0.00 0.00 0.00 177.43 176.50 2k40 n GLN 12 N -2.50 0.61 -0.22 6.67 7.27 -0.36 -4.59 117.38 124.27 2k40 n GLN 12 Ca -0.01 0.24 0.01 0.00 0.07 0.00 0.00 57.00 57.31 2k40 n GLN 12 Cb 0.07 -1.52 0.09 0.00 2.41 0.00 0.00 30.24 31.29 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 -0.64 0.40 -0.74 1.69 1.08 -0.62 -1.95 117.51 116.74 2k40 h ILE 13 Ca -0.64 -0.02 0.20 0.00 -0.39 0.00 0.00 64.86 64.01 2k40 h ILE 13 Cb 1.71 0.35 -0.04 0.00 -3.07 0.00 0.00 36.82 35.77 2k40 h ILE 13 CO -0.29 0.01 0.52 -0.33 -0.69 0.00 0.00 178.15 177.37 2k40 h GLU 14 N 0.05 0.09 -0.19 2.37 4.39 -1.31 0.13 114.58 120.11 2k40 h GLU 14 Ca 0.33 -0.01 -0.14 0.00 0.34 0.00 0.00 59.36 59.88 2k40 h GLU 14 Cb 0.52 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 2k40 h GLU 14 CO -0.61 0.06 -0.42 0.28 -1.16 0.00 0.00 179.01 177.16 2k40 h VAL 15 N 0.09 1.33 -0.14 3.13 2.07 -1.60 -0.71 116.25 120.43 2k40 h VAL 15 Ca 0.36 -1.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.19 2k40 h VAL 15 Cb 1.28 1.89 -0.00 0.00 -1.52 0.00 0.00 31.29 32.94 2k40 h VAL 15 CO -0.04 0.51 -0.03 -0.07 0.02 0.00 0.00 177.57 177.97 2k40 h LEU 16 N 0.29 0.26 -0.53 2.57 4.07 -1.16 -2.45 115.31 118.36 2k40 h LEU 16 Ca 0.00 -0.36 0.10 0.00 0.08 0.00 0.00 57.88 57.70 2k40 h LEU 16 Cb 1.02 -0.07 -0.08 0.00 1.08 0.00 0.00 40.66 42.61 2k40 h LEU 16 CO 0.09 0.56 0.06 -0.33 -1.08 0.00 0.00 178.44 177.74 2k40 h GLU 17 N -0.04 0.18 -0.87 1.13 4.39 -0.88 0.19 114.58 118.68 2k40 h GLU 17 Ca 0.04 -0.01 0.09 0.00 0.34 0.00 0.00 59.36 59.82 2k40 h GLU 17 Cb 0.44 -0.04 -0.07 0.00 -0.10 0.00 0.00 28.75 28.98 2k40 h GLU 17 CO 0.01 0.12 0.52 -0.97 -1.16 0.00 0.00 179.01 177.54 2k40 h ASN 18 N 0.19 0.77 -0.13 1.42 -1.24 -1.04 0.77 115.58 116.32 2k40 h ASN 18 Ca 0.27 0.04 -0.03 0.00 0.71 0.00 0.00 56.30 57.29 2k40 h ASN 18 Cb 0.40 -0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.33 2k40 h ASN 18 CO -0.39 0.45 -0.05 0.58 -1.29 0.00 0.00 177.43 176.72 2k40 h VAL 19 N 0.88 1.31 0.00 2.57 2.07 -0.93 -3.26 116.25 118.89 2k40 h VAL 19 Ca 0.42 -1.06 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 2k40 h VAL 19 Cb 0.34 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 2k40 h VAL 19 CO -0.23 0.30 -0.00 0.15 0.02 0.00 0.00 177.57 177.81 2k40 h PHE 20 N -0.08 0.00 0.13 1.57 3.57 -0.38 -0.99 116.94 120.76 2k40 h PHE 20 Ca 0.03 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2k40 h PHE 20 Cb 0.50 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2k40 h PHE 20 CO 0.06 0.00 -0.13 0.00 -2.23 0.00 0.00 178.31 176.01 2k40 h ARG 21 N 0.00 -0.28 -0.02 1.11 2.47 -0.91 -3.33 114.38 113.43 2k40 h ARG 21 Ca -0.00 0.02 -0.08 0.00 -1.26 0.00 0.00 59.98 58.66 2k40 h ARG 21 Cb 0.00 0.06 0.01 0.00 -1.65 0.00 0.00 29.97 28.39 2k40 h ARG 21 CO 0.00 -0.19 -0.31 0.28 0.56 0.00 0.00 179.97 180.31 2k40 h VAL 22 N -0.29 1.49 -3.16 2.04 2.07 -1.37 -3.44 116.25 113.59 2k40 h VAL 22 Ca 0.00 -1.89 -0.46 0.00 0.82 0.00 0.00 66.70 65.17 2k40 h VAL 22 Cb 0.28 2.62 -0.40 0.00 -1.52 0.00 0.00 31.29 32.26 2k40 h VAL 22 CO -0.04 0.53 -0.75 0.21 0.02 0.00 0.00 177.57 177.54 2k40 s ASN 23 N -6.38 2.28 0.25 0.57 3.84 -0.49 -5.02 114.94 109.99 2k40 s ASN 23 Ca -0.15 -0.54 0.24 0.00 0.21 0.00 0.00 52.86 52.63 2k40 s ASN 23 Cb 0.02 -0.34 0.94 0.00 -0.55 0.00 0.00 41.25 41.31 2k40 s ASN 23 CO 0.76 -0.31 1.73 0.00 -2.79 0.00 0.00 177.10 176.49 2k40 n TYR 25 N -2.25 0.81 -1.29 0.00 4.01 -1.26 -4.78 117.16 112.40 2k40 n TYR 25 Ca 0.03 -3.72 -0.31 0.00 -0.16 0.00 0.00 57.90 53.74 2k40 n TYR 25 Cb 0.29 -0.18 0.09 0.00 -0.31 0.00 0.00 39.34 39.23 2k40 n TYR 25 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2k40 s PRO 26 N -0.88 2.24 0.77 -0.72 0.04 -1.26 -5.07 135.00 130.12 2k40 s PRO 26 Ca 0.32 1.23 -0.12 0.00 0.04 0.00 0.00 61.00 62.48 2k40 s PRO 26 Cb 0.06 -1.89 0.06 0.00 0.04 0.00 0.00 34.50 32.76 2k40 s PRO 26 CO -0.15 -1.67 1.13 0.20 0.04 0.00 0.00 177.00 176.55 2k40 s GLY 27 N -3.21 1.61 0.32 0.56 0.00 -1.26 -4.89 107.32 100.45 2k40 s GLY 27 Ca 0.63 -0.43 0.03 0.00 0.00 0.00 0.00 44.72 44.94 2k40 s GLY 27 CO 0.54 0.00 1.85 -2.22 0.00 0.00 0.00 173.10 173.28 2k40 h ILE 28 N -0.93 1.21 0.00 0.90 5.03 -1.98 -1.36 117.51 120.37 2k40 h ILE 28 Ca -0.46 -0.82 -0.04 0.00 -0.12 0.00 0.00 64.86 63.42 2k40 h ILE 28 Cb 1.29 0.91 -0.01 0.00 -3.03 0.00 0.00 36.82 35.98 2k40 h ILE 28 CO 0.64 0.28 -0.19 0.44 -0.68 0.00 0.00 178.15 178.64 2k40 h ASP 29 N 0.56 0.00 0.38 1.72 5.19 -1.97 0.30 116.42 122.61 2k40 h ASP 29 Ca 0.12 0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.21 2k40 h ASP 29 Cb 0.34 0.00 0.01 0.00 0.18 0.00 0.00 39.33 39.86 2k40 h ASP 29 CO 0.01 0.19 -1.52 0.40 -3.12 0.00 0.00 179.24 175.20 2k40 h ILE 30 N 0.00 1.19 -0.17 0.35 2.04 -1.66 0.30 117.51 119.56 2k40 h ILE 30 Ca -0.00 -2.76 -0.01 0.00 1.00 0.00 0.00 64.86 63.09 2k40 h ILE 30 Cb 0.62 2.85 -0.01 0.00 -0.74 0.00 0.00 36.82 39.55 2k40 h ILE 30 CO 0.02 0.84 0.07 -0.07 0.00 0.00 0.00 178.15 179.01 2k40 h LEU 31 N 0.10 0.24 -1.06 1.44 3.38 -1.16 -2.32 115.31 115.92 2k40 h LEU 31 Ca -0.25 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.50 2k40 h LEU 31 Cb 2.06 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 42.73 2k40 h LEU 31 CO 0.20 0.33 -0.01 -0.33 0.09 0.00 0.00 178.44 178.72 2k40 h GLU 32 N 0.13 0.66 -0.18 1.13 5.08 -0.48 -0.04 114.58 120.87 2k40 h GLU 32 Ca 0.06 -0.16 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 2k40 h GLU 32 Cb 0.16 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 2k40 h GLU 32 CO -0.01 0.68 -0.16 0.22 -1.00 0.00 0.00 179.01 178.75 2k40 h ASP 33 N 0.62 -0.52 -0.49 1.42 1.82 -0.90 0.18 116.42 118.56 2k40 h ASP 33 Ca 0.13 0.10 0.03 0.00 -0.39 0.00 0.00 57.03 56.90 2k40 h ASP 33 Cb 0.40 0.26 -0.04 0.00 0.68 0.00 0.00 39.33 40.63 2k40 h ASP 33 CO 0.02 -0.21 0.27 -0.07 -1.61 0.00 0.00 179.24 177.64 2k40 h LEU 34 N -0.18 0.40 0.05 2.28 3.38 -1.13 -1.40 115.31 118.73 2k40 h LEU 34 Ca 0.11 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.12 2k40 h LEU 34 Cb 0.35 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2k40 h LEU 34 CO -0.29 0.28 -0.20 0.00 0.09 0.00 0.00 178.44 178.32 2k40 h ALA 35 N 1.25 -0.29 0.00 1.53 0.00 -0.60 -1.34 119.26 119.81 2k40 h ALA 35 Ca 0.21 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2k40 h ALA 35 Cb 0.08 0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2k40 h ALA 35 CO -0.13 -0.71 -0.38 1.96 0.00 0.00 0.00 179.25 179.99 2k40 h GLN 36 N -0.35 0.00 0.00 0.00 4.20 -0.43 -0.94 115.11 117.59 2k40 h GLN 36 Ca 0.04 0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.62 2k40 h GLN 36 Cb 0.40 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 2k40 h GLN 36 CO -0.15 0.38 -1.55 0.36 -0.67 0.00 0.00 178.83 177.20 2k40 n LYS 37 N -3.77 0.63 0.04 1.46 2.85 -0.54 -4.33 118.16 114.51 2k40 n LYS 37 Ca -0.01 0.11 0.11 0.00 -1.05 0.00 0.00 58.31 57.47 2k40 n LYS 37 Cb 0.46 -1.73 -0.02 0.00 -0.65 0.00 0.00 35.03 33.09 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 -2.73 0.57 -2.78 -5.58 4.77 -0.51 -5.02 117.00 105.72 2k40 n LEU 38 Ca -0.10 0.10 -0.05 0.00 -0.03 0.00 0.00 56.01 55.94 2k40 n LEU 38 Cb 0.78 -0.07 0.02 0.00 -2.33 0.00 0.00 43.42 41.82 2k40 n LEU 38 CO 0.43 -0.04 0.18 -3.20 -1.33 0.00 0.00 177.39 173.43 2k40 n ASN 39 N -2.25 -6.22 -2.96 -1.43 5.15 -0.45 -5.07 115.26 102.03 2k40 n ASN 39 Ca 0.00 -0.25 -0.15 0.00 -0.60 0.00 0.00 54.58 53.58 2k40 n ASN 39 Cb 0.50 -4.32 -0.04 0.00 -0.53 0.00 0.00 39.78 35.38 2k40 n ASN 39 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2k40 n LEU 40 N -2.09 0.00 -4.44 1.20 4.77 -0.66 -5.06 117.00 110.72 2k40 n LEU 40 Ca -0.02 -1.85 -0.27 0.00 -0.03 0.00 0.00 56.01 53.84 2k40 n LEU 40 Cb 0.54 0.57 -0.12 0.00 -2.33 0.00 0.00 43.42 42.08 2k40 n LEU 40 CO 0.43 -0.28 -0.52 -1.83 -1.33 0.00 0.00 177.39 173.86 2k40 s GLU 41 N -2.93 1.59 0.24 3.23 1.03 -1.26 -4.52 118.70 116.08 2k40 s GLU 41 Ca 0.11 -1.45 -0.06 0.00 0.03 0.00 0.00 54.97 53.60 2k40 s GLU 41 Cb 0.01 -1.91 0.45 0.00 -0.80 0.00 0.00 34.13 31.88 2k40 s GLU 41 CO 0.08 0.42 1.67 1.25 -1.33 0.00 0.00 175.26 177.34 2k40 h LEU 42 N 3.29 -0.12 -0.78 1.83 7.12 -1.96 -0.85 115.31 123.84 2k40 h LEU 42 Ca -0.47 0.16 0.14 0.00 0.13 0.00 0.00 57.88 57.85 2k40 h LEU 42 Cb 1.20 0.25 -0.09 0.00 -0.53 0.00 0.00 40.66 41.48 2k40 h LEU 42 CO 0.47 -0.09 0.34 -0.78 -0.13 0.00 0.00 178.44 178.25 2k40 h ASP 43 N 0.20 0.36 -0.50 1.25 3.58 -1.98 0.16 116.42 119.49 2k40 h ASP 43 Ca 0.41 0.10 -0.09 0.00 0.42 0.00 0.00 57.03 57.88 2k40 h ASP 43 Cb 0.72 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.81 2k40 h ASP 43 CO -0.56 0.14 -0.04 0.03 -2.88 0.00 0.00 179.24 175.93 2k40 h ARG 44 N 0.50 0.90 -0.42 0.28 3.08 -1.58 -0.22 114.38 116.92 2k40 h ARG 44 Ca 0.43 -0.31 -0.12 0.00 0.07 0.00 0.00 59.98 60.05 2k40 h ARG 44 Cb 0.64 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 2k40 h ARG 44 CO -0.39 0.95 -0.23 0.82 -1.07 0.00 0.00 179.97 180.05 2k40 h ILE 45 N 0.76 1.27 0.24 2.04 1.08 -1.19 -0.02 117.51 121.71 2k40 h ILE 45 Ca 0.14 -1.37 -0.01 0.00 -0.39 0.00 0.00 64.86 63.22 2k40 h ILE 45 Cb 0.57 1.19 0.00 0.00 -3.07 0.00 0.00 36.82 35.51 2k40 h ILE 45 CO 0.03 0.46 -0.12 1.56 -0.69 0.00 0.00 178.15 179.40 2k40 h GLN 46 N 0.74 -0.32 -0.66 2.37 1.08 -0.61 0.96 115.11 118.68 2k40 h GLN 46 Ca 0.10 0.02 0.04 0.00 -1.45 0.00 0.00 58.65 57.36 2k40 h GLN 46 Cb 0.77 0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 28.23 2k40 h GLN 46 CO 0.06 -0.18 0.39 0.82 -0.95 0.00 0.00 178.83 178.97 2k40 h ILE 47 N -0.37 1.02 0.59 2.54 2.04 -1.03 0.56 117.51 122.87 2k40 h ILE 47 Ca -0.03 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.55 2k40 h ILE 47 Cb 0.28 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.58 2k40 h ILE 47 CO 0.06 0.14 -0.33 -0.25 0.00 0.00 0.00 178.15 177.76 2k40 h TRP 48 N 0.74 -0.88 -0.73 1.37 7.01 -0.75 -0.48 115.95 122.23 2k40 h TRP 48 Ca 0.28 -0.01 -0.06 0.00 2.11 0.00 0.00 58.89 61.21 2k40 h TRP 48 Cb 0.11 0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 27.44 2k40 h TRP 48 CO -0.06 -0.52 0.24 0.74 -2.79 0.00 0.00 178.44 176.05 2k40 h PHE 49 N -0.86 1.16 -0.18 2.65 -1.00 -0.66 -0.07 116.94 117.96 2k40 h PHE 49 Ca -0.07 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 60.59 2k40 h PHE 49 Cb 0.69 -0.34 -0.01 0.00 3.61 0.00 0.00 35.95 39.90 2k40 h PHE 49 CO -0.07 0.91 0.09 0.37 -1.61 0.00 0.00 178.31 177.99 2k40 h GLN 50 N 1.08 0.27 -0.78 1.51 4.15 -0.87 0.16 115.11 120.63 2k40 h GLN 50 Ca 0.24 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.62 2k40 h GLN 50 Cb 0.29 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.89 2k40 h GLN 50 CO -0.01 0.31 0.51 -0.91 -1.93 0.00 0.00 178.83 176.79 2k40 h ASN 51 N 0.17 0.90 0.19 -0.69 2.35 -0.83 -0.32 115.58 117.35 2k40 h ASN 51 Ca 0.06 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.77 2k40 h ASN 51 Cb 0.13 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.27 2k40 h ASN 51 CO -0.01 0.66 -0.09 0.03 -1.65 0.00 0.00 177.43 176.38 2k40 h ARG 52 N 1.06 -0.24 -0.73 0.81 -0.00 -0.75 0.33 114.38 114.86 2k40 h ARG 52 Ca 0.28 0.02 -0.02 0.00 -0.50 0.00 0.00 59.98 59.76 2k40 h ARG 52 Cb -0.11 0.05 -0.03 0.00 0.00 0.00 0.00 29.97 29.88 2k40 h ARG 52 CO -0.06 -0.06 0.39 -0.09 0.00 0.00 0.00 179.97 180.14 2k40 h ARG 53 N -0.37 1.03 0.19 0.04 1.12 -0.63 0.28 114.38 116.04 2k40 h ARG 53 Ca -0.03 -0.13 0.01 0.00 -1.11 0.00 0.00 59.98 58.72 2k40 h ARG 53 Cb 0.29 -0.20 -0.02 0.00 -0.01 0.00 0.00 29.97 30.03 2k40 h ARG 53 CO 0.04 0.78 -0.24 0.00 -3.11 0.00 0.00 179.97 177.44 2k40 h ALA 54 N 1.20 -0.45 -0.13 2.80 0.00 -0.93 -2.35 119.26 119.39 2k40 h ALA 54 Ca 0.26 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.15 2k40 h ALA 54 Cb 0.06 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.16 2k40 h ALA 54 CO -0.04 -0.79 -0.12 0.87 0.00 0.00 0.00 179.25 179.17 2k40 h LYS 55 N -0.48 -0.14 -0.07 0.00 1.57 -0.72 -0.07 116.57 116.67 2k40 h LYS 55 Ca 0.01 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2k40 h LYS 55 Cb 0.47 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2k40 h LYS 55 CO -0.09 -0.09 0.00 -0.11 -0.57 0.00 0.00 179.45 178.59 2k40 n LEU 56 N -5.27 0.07 0.00 2.94 7.94 0.07 -0.91 117.00 121.84 2k40 n LEU 56 Ca -0.03 -0.03 0.00 0.00 -1.11 0.00 0.00 56.01 54.84 2k40 n LEU 56 Cb 0.19 -0.03 0.00 0.00 0.53 0.00 0.00 43.42 44.10 2k40 n LEU 56 CO 0.23 0.02 -0.15 1.17 -1.11 0.00 0.00 177.39 177.55 2k40 n LYS 57 N -0.37 3.43 0.02 1.96 3.00 -0.51 -4.82 118.16 120.88 2k40 n LYS 57 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.31 58.20 2k40 n LYS 57 Cb 0.02 -0.55 -0.08 0.00 0.00 0.00 0.00 35.03 34.41 2k40 n LYS 57 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 2k40 h ARG 58 N 0.00 -0.14 -1.99 1.64 9.65 -0.15 -3.40 114.38 119.99 2k40 h ARG 58 Ca 0.00 0.01 -0.27 0.00 -1.10 0.00 0.00 59.98 58.62 2k40 h ARG 58 Cb 0.00 0.03 -0.10 0.00 -1.39 0.00 0.00 29.97 28.51 2k40 h ARG 58 CO 0.00 0.35 -0.12 0.43 2.80 0.00 0.00 179.97 183.44 2k40 n SER 59 N -4.86 5.64 -3.41 -3.80 7.64 -0.08 -4.28 113.62 110.47 2k40 n SER 59 Ca -0.08 -2.71 -0.26 0.00 1.01 0.00 0.00 58.87 56.84 2k40 n SER 59 Cb 0.28 -1.34 -0.10 0.00 -1.01 0.00 0.00 64.21 62.04 2k40 n SER 59 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 2k40 s HIS 60 N 0.07 0.62 0.00 1.43 3.76 -1.26 -4.97 115.29 114.94 2k40 s HIS 60 Ca 0.60 -1.70 0.00 0.00 -0.15 0.00 0.00 55.06 53.81 2k40 s HIS 60 Cb 0.32 -0.80 0.00 0.00 1.11 0.00 0.00 32.58 33.21 2k40 s HIS 60 CO -0.07 -0.86 0.00 -2.13 -0.85 0.00 0.00 174.74 170.83 2k40 n ARG 61 N 3.67 0.00 -1.81 1.40 0.00 -1.26 -5.09 116.66 113.57 2k40 n ARG 61 Ca 0.18 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.60 2k40 n ARG 61 Cb 0.42 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.85 2k40 n ARG 61 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2k40 s GLU 62 N 2.12 3.86 -1.37 -0.14 8.01 -1.26 -4.92 118.70 125.00 2k40 s GLU 62 Ca 0.00 2.22 -0.11 0.00 0.01 0.00 0.00 54.97 57.09 2k40 s GLU 62 Cb 0.00 -4.15 -0.06 0.00 -4.31 0.00 0.00 34.13 25.61 2k40 s GLU 62 CO 0.00 -1.26 2.56 0.43 0.01 0.00 0.00 175.26 177.00 2k40 n SER 63 N 8.56 6.51 -3.88 -0.19 7.64 -1.26 -4.88 113.62 126.11 2k40 n SER 63 Ca 0.21 -2.57 -0.30 0.00 1.01 0.00 0.00 58.87 57.22 2k40 n SER 63 Cb 0.43 -1.44 -0.15 0.00 -1.01 0.00 0.00 64.21 62.04 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 2.86 1.26 0.56 1.43 0.74 -1.26 -5.11 119.66 120.14 2k40 s GLN 64 Ca 0.58 -1.16 -0.18 0.00 0.05 0.00 0.00 55.36 54.65 2k40 s GLN 64 Cb 0.15 -2.51 -0.05 0.00 1.10 0.00 0.00 33.01 31.70 2k40 s GLN 64 CO -0.05 -0.78 1.09 -0.06 -0.55 0.00 0.00 175.29 174.94 2k40 s PHE 65 N 1.39 2.81 0.00 1.67 0.08 -1.26 -5.08 117.98 117.59 2k40 s PHE 65 Ca 0.02 1.55 0.00 0.00 0.12 0.00 0.00 56.93 58.62 2k40 s PHE 65 Cb -0.18 -3.15 0.00 0.00 -0.57 0.00 0.00 43.02 39.12 2k40 s PHE 65 CO -0.12 -1.32 0.00 -0.11 -0.10 0.00 0.00 175.22 173.57 2k40 n LEU 66 N -1.59 0.00 0.00 -0.37 7.94 -1.26 -5.29 117.00 116.42 2k40 n LEU 66 Ca 0.10 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.00 2k40 n LEU 66 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 2k40 n LEU 66 CO 0.44 0.00 0.00 0.80 -1.11 0.00 0.00 177.39 177.52