#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 3.40 0.00 1.61 3.00 -1.26 -5.01 118.95 120.69 2k40 s ARG 2 Ca 0.00 -0.63 0.00 0.00 -1.00 0.00 0.00 55.73 54.10 2k40 s ARG 2 Cb 0.00 -2.79 0.00 0.00 0.00 0.00 0.00 34.95 32.16 2k40 s ARG 2 CO 0.00 0.27 0.00 0.54 0.00 0.00 0.00 175.30 176.11 2k40 n ARG 3 N -1.59 0.00 -1.43 5.12 1.74 -1.26 -4.86 116.66 114.39 2k40 n ARG 3 Ca -0.06 0.28 -0.41 0.00 -0.77 0.00 0.00 57.85 56.88 2k40 n ARG 3 Cb 0.57 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.98 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 -0.20 2.39 -2.54 5.56 -0.04 -1.26 -4.62 135.00 134.28 2k40 n PRO 4 Ca 0.00 -2.23 -0.22 0.00 -0.04 0.00 0.00 63.50 61.01 2k40 n PRO 4 Cb 0.00 -3.07 0.01 0.00 -0.04 0.00 0.00 33.50 30.40 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 6.11 2.79 -1.68 0.54 3.00 -1.26 -4.89 116.66 121.26 2k40 n ARG 5 Ca 0.53 -4.16 -0.42 0.00 -0.00 0.00 0.00 57.85 53.79 2k40 n ARG 5 Cb 0.37 -1.97 -0.03 0.00 0.00 0.00 0.00 32.46 30.82 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 -0.36 0.50 -4.46 5.15 -1.04 -1.26 -5.04 114.28 107.77 2k40 n THR 6 Ca 0.31 -0.09 -0.22 0.00 -2.04 0.00 0.00 64.05 62.00 2k40 n THR 6 Cb 0.70 -2.19 -0.10 0.00 -1.82 0.00 0.00 70.33 66.92 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 3.30 2.47 0.24 2.41 0.00 -1.26 -4.32 121.76 124.60 2k40 s ALA 7 Ca 0.84 -1.91 0.05 0.00 0.00 0.00 0.00 51.96 50.94 2k40 s ALA 7 Cb -0.47 0.66 -0.02 0.00 0.00 0.00 0.00 23.12 23.30 2k40 s ALA 7 CO 0.39 -0.31 0.17 1.19 0.00 0.00 0.00 175.76 177.20 2k40 n PHE 8 N -0.73 -0.39 -2.10 0.00 3.72 -1.26 -5.13 117.46 111.56 2k40 n PHE 8 Ca -0.03 -1.90 -0.37 0.00 -0.05 0.00 0.00 57.45 55.10 2k40 n PHE 8 Cb 0.66 0.15 0.01 0.00 -0.94 0.00 0.00 39.48 39.37 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 -2.85 2.78 0.40 4.37 -1.32 -1.26 -4.78 115.64 112.98 2k40 s THR 9 Ca 0.24 0.57 0.12 0.00 -1.21 0.00 0.00 61.69 61.41 2k40 s THR 9 Cb 0.01 -3.28 0.33 0.00 -1.51 0.00 0.00 72.50 68.05 2k40 s THR 9 CO 0.17 -0.03 1.92 -0.61 -2.21 0.00 0.00 174.62 173.87 2k40 h GLN 10 N 1.70 0.54 0.00 7.08 4.15 -2.01 0.81 115.11 127.37 2k40 h GLN 10 Ca -0.50 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.89 2k40 h GLN 10 Cb 1.27 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.84 2k40 h GLN 10 CO 0.59 0.36 0.00 0.27 -1.93 0.00 0.00 178.83 178.11 2k40 n ASN 11 N -4.50 0.00 -0.06 -0.69 0.23 -1.26 -0.65 115.26 108.33 2k40 n ASN 11 Ca 0.14 0.03 -0.07 0.00 -0.53 0.00 0.00 54.58 54.15 2k40 n ASN 11 Cb 0.43 -0.28 -0.08 0.00 -2.08 0.00 0.00 39.78 37.78 2k40 n ASN 11 CO 0.00 0.00 0.00 1.67 -0.93 0.00 0.00 177.26 178.00 2k40 n GLN 12 N -1.28 1.59 0.02 -3.83 7.27 0.12 -4.60 117.38 116.67 2k40 n GLN 12 Ca 0.08 0.02 -0.10 0.00 0.07 0.00 0.00 57.00 57.08 2k40 n GLN 12 Cb 0.13 -1.28 -0.04 0.00 2.41 0.00 0.00 30.24 31.46 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 0.61 -0.60 1.69 1.08 -0.85 -3.23 117.51 116.21 2k40 h ILE 13 Ca -0.30 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.24 2k40 h ILE 13 Cb 1.62 0.61 -0.04 0.00 -3.07 0.00 0.00 36.82 35.94 2k40 h ILE 13 CO -0.01 0.00 0.40 1.05 -0.69 0.00 0.00 178.15 178.91 2k40 h GLU 14 N -0.21 0.51 -0.40 2.37 4.11 -1.14 0.11 114.58 119.93 2k40 h GLU 14 Ca 0.08 -0.03 -0.15 0.00 0.07 0.00 0.00 59.36 59.33 2k40 h GLU 14 Cb 0.32 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2k40 h GLU 14 CO -0.21 0.33 -0.32 0.28 0.07 0.00 0.00 179.01 179.17 2k40 h VAL 15 N 0.52 1.27 -0.13 -1.06 2.07 -1.81 -0.54 116.25 116.57 2k40 h VAL 15 Ca 0.27 -1.49 -0.05 0.00 0.82 0.00 0.00 66.70 66.25 2k40 h VAL 15 Cb 0.38 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.44 2k40 h VAL 15 CO -0.08 0.50 -0.09 -0.07 0.02 0.00 0.00 177.57 177.85 2k40 h LEU 16 N 0.76 0.31 -1.09 2.57 3.38 -1.20 -2.33 115.31 117.71 2k40 h LEU 16 Ca 0.08 -0.45 0.05 0.00 0.09 0.00 0.00 57.88 57.64 2k40 h LEU 16 Cb 0.90 -0.09 -0.06 0.00 0.09 0.00 0.00 40.66 41.50 2k40 h LEU 16 CO 0.08 0.69 0.62 -0.33 0.09 0.00 0.00 178.44 179.59 2k40 h GLU 17 N -0.07 1.11 0.00 1.13 4.39 -0.88 0.61 114.58 120.87 2k40 h GLU 17 Ca 0.02 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.64 2k40 h GLU 17 Cb 0.59 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.99 2k40 h GLU 17 CO 0.03 0.74 -0.08 -0.91 -1.16 0.00 0.00 179.01 177.63 2k40 h ASN 18 N 1.15 0.00 0.01 1.42 2.35 -0.93 0.41 115.58 120.00 2k40 h ASN 18 Ca 0.39 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.14 2k40 h ASN 18 Cb 0.08 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.45 2k40 h ASN 18 CO -0.13 0.08 -0.01 0.58 -1.65 0.00 0.00 177.43 176.30 2k40 h VAL 19 N 0.00 1.53 -0.53 2.81 2.07 -0.77 -3.38 116.25 117.99 2k40 h VAL 19 Ca -0.00 -1.85 0.04 0.00 0.82 0.00 0.00 66.70 65.71 2k40 h VAL 19 Cb 0.15 2.75 -0.03 0.00 -1.52 0.00 0.00 31.29 32.65 2k40 h VAL 19 CO 0.01 0.46 0.35 0.15 0.02 0.00 0.00 177.57 178.57 2k40 h PHE 20 N -0.84 0.56 0.00 1.57 3.57 -0.55 -0.16 116.94 121.08 2k40 h PHE 20 Ca -0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 2k40 h PHE 20 Cb 0.78 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.33 2k40 h PHE 20 CO 0.20 0.32 0.00 0.07 -2.23 0.00 0.00 178.31 176.67 2k40 h ARG 21 N 0.57 0.00 0.01 1.11 0.11 -1.10 -3.07 114.38 112.01 2k40 h ARG 21 Ca 0.22 0.00 -0.41 0.00 0.10 0.00 0.00 59.98 59.88 2k40 h ARG 21 Cb 0.16 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.17 2k40 h ARG 21 CO -0.06 0.00 -2.38 0.28 0.10 0.00 0.00 179.97 177.91 2k40 n VAL 22 N -2.74 1.53 -3.75 0.08 0.31 -0.38 -4.95 118.33 108.43 2k40 n VAL 22 Ca -0.01 -0.44 -0.28 0.00 -0.01 0.00 0.00 64.34 63.60 2k40 n VAL 22 Cb 0.17 -1.72 -0.16 0.00 -0.91 0.00 0.00 33.84 31.22 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 -7.07 3.23 0.31 4.52 0.01 -0.21 -5.00 114.94 110.72 2k40 s ASN 23 Ca -0.36 -1.02 0.06 0.00 -0.71 0.00 0.00 52.86 50.84 2k40 s ASN 23 Cb 0.12 -0.70 0.74 0.00 0.41 0.00 0.00 41.25 41.82 2k40 s ASN 23 CO 0.56 -0.32 1.78 0.00 -1.51 0.00 0.00 177.10 177.61 2k40 s TYR 25 N -5.85 1.37 1.00 0.00 2.02 -1.26 -4.97 117.35 109.66 2k40 s TYR 25 Ca -0.11 -1.91 -0.16 0.00 -0.37 0.00 0.00 57.07 54.52 2k40 s TYR 25 Cb 0.25 -1.45 0.20 0.00 -0.40 0.00 0.00 41.96 40.56 2k40 s TYR 25 CO 0.80 -0.82 1.25 -1.25 -1.57 0.00 0.00 175.55 173.96 2k40 s PRO 26 N 0.96 0.40 0.72 -1.71 0.04 -1.26 -5.10 135.00 129.05 2k40 s PRO 26 Ca 0.16 -0.22 -0.07 0.00 0.04 0.00 0.00 61.00 60.90 2k40 s PRO 26 Cb -0.22 -1.80 0.07 0.00 0.04 0.00 0.00 34.50 32.59 2k40 s PRO 26 CO -0.07 -2.61 1.04 0.20 0.04 0.00 0.00 177.00 175.60 2k40 s GLY 27 N -4.56 1.69 0.29 0.56 0.00 -1.26 -4.96 107.32 99.08 2k40 s GLY 27 Ca 0.71 -0.94 0.02 0.00 0.00 0.00 0.00 44.72 44.52 2k40 s GLY 27 CO 0.53 -0.51 1.75 -2.22 0.00 0.00 0.00 173.10 172.66 2k40 h ILE 28 N -0.67 1.25 0.00 0.90 1.08 -1.99 -2.01 117.51 116.06 2k40 h ILE 28 Ca -0.44 -1.15 -0.01 0.00 -0.39 0.00 0.00 64.86 62.87 2k40 h ILE 28 Cb 1.31 1.22 -0.00 0.00 -3.07 0.00 0.00 36.82 36.28 2k40 h ILE 28 CO 0.59 0.37 -0.06 0.44 -0.69 0.00 0.00 178.15 178.81 2k40 h ASP 29 N 0.48 0.00 0.02 1.72 5.19 -1.98 0.17 116.42 122.02 2k40 h ASP 29 Ca 0.08 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 56.24 2k40 h ASP 29 Cb 0.58 0.00 0.02 0.00 0.18 0.00 0.00 39.33 40.11 2k40 h ASP 29 CO 0.04 0.06 -0.99 0.40 -3.12 0.00 0.00 179.24 175.62 2k40 h ILE 30 N 0.00 1.31 -0.19 0.35 1.08 -1.77 0.20 117.51 118.48 2k40 h ILE 30 Ca -0.00 -2.25 -0.01 0.00 -0.39 0.00 0.00 64.86 62.21 2k40 h ILE 30 Cb 0.10 2.47 -0.01 0.00 -3.07 0.00 0.00 36.82 36.32 2k40 h ILE 30 CO 0.01 0.69 0.09 -0.07 -0.69 0.00 0.00 178.15 178.18 2k40 h LEU 31 N 0.28 0.25 0.26 1.44 3.38 -0.87 -1.08 115.31 118.98 2k40 h LEU 31 Ca -0.13 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.72 2k40 h LEU 31 Cb 1.66 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 42.32 2k40 h LEU 31 CO 0.19 0.31 -0.32 -0.33 0.09 0.00 0.00 178.44 178.38 2k40 h GLU 32 N 0.18 -0.61 0.00 1.13 4.39 -0.77 0.04 114.58 118.93 2k40 h GLU 32 Ca 0.07 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 2k40 h GLU 32 Cb 0.12 0.14 -0.00 0.00 -0.10 0.00 0.00 28.75 28.91 2k40 h GLU 32 CO -0.01 -0.41 -0.03 0.22 -1.16 0.00 0.00 179.01 177.62 2k40 h ASP 33 N -0.64 0.00 0.00 1.42 3.58 -0.87 0.15 116.42 120.06 2k40 h ASP 33 Ca -0.00 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 2k40 h ASP 33 Cb 0.60 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.65 2k40 h ASP 33 CO -0.10 0.03 -0.00 -0.07 -2.88 0.00 0.00 179.24 176.22 2k40 h LEU 34 N 0.00 -0.00 -0.17 2.28 3.38 -1.12 -3.30 115.31 116.38 2k40 h LEU 34 Ca -0.00 -0.82 0.05 0.00 0.09 0.00 0.00 57.88 57.20 2k40 h LEU 34 Cb 0.16 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.85 2k40 h LEU 34 CO 0.00 0.82 -0.24 0.00 0.09 0.00 0.00 178.44 179.12 2k40 h ALA 35 N 0.17 -0.18 0.00 1.53 0.00 0.24 0.44 119.26 121.47 2k40 h ALA 35 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2k40 h ALA 35 Cb 0.82 0.47 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2k40 h ALA 35 CO 0.00 -0.68 0.00 1.04 0.00 0.00 0.00 179.25 179.61 2k40 n GLN 36 N -5.37 0.09 0.00 0.00 1.13 0.40 -1.70 117.38 111.94 2k40 n GLN 36 Ca -0.02 0.48 0.00 0.00 -1.94 0.00 0.00 57.00 55.52 2k40 n GLN 36 Cb 0.28 -1.74 0.00 0.00 0.11 0.00 0.00 30.24 28.89 2k40 n GLN 36 CO 0.00 0.00 0.00 1.17 -1.44 0.00 0.00 177.06 176.79 2k40 n LYS 37 N -1.93 0.00 0.19 -1.09 4.81 -0.76 -4.62 118.16 114.76 2k40 n LYS 37 Ca 0.01 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.59 2k40 n LYS 37 Cb 0.10 -0.57 0.51 0.00 0.02 0.00 0.00 35.03 35.09 2k40 n LYS 37 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2k40 h LEU 38 N 0.00 0.00 -2.71 3.14 -0.00 -1.09 -3.48 115.31 111.17 2k40 h LEU 38 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2k40 h LEU 38 Cb 0.84 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.50 2k40 h LEU 38 CO 0.00 0.00 -0.09 -3.20 -0.00 0.00 0.00 178.44 175.15 2k40 n ASN 39 N -2.62 -4.59 -3.66 -0.43 2.85 -1.06 -5.07 115.26 100.68 2k40 n ASN 39 Ca 0.02 0.08 -0.15 0.00 -0.11 0.00 0.00 54.58 54.42 2k40 n ASN 39 Cb 0.32 -2.92 -0.08 0.00 1.24 0.00 0.00 39.78 38.34 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 -2.40 1.32 0.05 1.20 1.43 -0.69 -5.06 118.68 114.54 2k40 s LEU 40 Ca 0.05 -1.53 -0.02 0.00 -1.03 0.00 0.00 54.13 51.60 2k40 s LEU 40 Cb -0.01 0.75 -0.04 0.00 0.03 0.00 0.00 46.19 46.92 2k40 s LEU 40 CO 0.33 -1.04 0.23 -1.83 0.23 0.00 0.00 176.35 174.27 2k40 s GLU 41 N -3.65 3.47 0.27 1.70 -1.05 -1.26 -4.48 118.70 113.71 2k40 s GLU 41 Ca 0.37 -0.35 -0.05 0.00 -0.15 0.00 0.00 54.97 54.79 2k40 s GLU 41 Cb 0.03 -3.03 0.53 0.00 -0.44 0.00 0.00 34.13 31.22 2k40 s GLU 41 CO 0.20 0.61 1.59 1.25 0.95 0.00 0.00 175.26 179.86 2k40 h LEU 42 N 3.24 -0.57 -0.88 1.83 6.46 -1.94 -1.52 115.31 121.92 2k40 h LEU 42 Ca -0.46 0.25 0.03 0.00 -0.12 0.00 0.00 57.88 57.58 2k40 h LEU 42 Cb 1.17 0.47 -0.05 0.00 -0.73 0.00 0.00 40.66 41.52 2k40 h LEU 42 CO 0.74 -0.28 0.58 0.44 -0.62 0.00 0.00 178.44 179.29 2k40 h ASP 43 N 0.04 0.97 -0.20 1.25 5.19 -1.97 0.23 116.42 121.93 2k40 h ASP 43 Ca 0.48 -0.01 -0.07 0.00 -0.62 0.00 0.00 57.03 56.81 2k40 h ASP 43 Cb 0.87 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.13 2k40 h ASP 43 CO -0.84 0.68 -0.08 0.03 -3.12 0.00 0.00 179.24 175.91 2k40 h ARG 44 N 1.14 0.55 -0.06 3.56 3.08 -1.70 0.06 114.38 121.01 2k40 h ARG 44 Ca 0.34 -0.15 -0.18 0.00 0.07 0.00 0.00 59.98 60.06 2k40 h ARG 44 Cb -0.04 -0.06 0.01 0.00 0.08 0.00 0.00 29.97 29.96 2k40 h ARG 44 CO -0.10 0.63 -0.68 0.82 -1.07 0.00 0.00 179.97 179.57 2k40 h ILE 45 N 0.51 1.35 -0.21 2.04 2.04 -1.11 -1.54 117.51 120.61 2k40 h ILE 45 Ca 0.10 -2.00 0.06 0.00 1.00 0.00 0.00 64.86 64.01 2k40 h ILE 45 Cb 0.45 2.31 -0.06 0.00 -0.74 0.00 0.00 36.82 38.78 2k40 h ILE 45 CO 0.02 0.61 -0.21 1.56 0.00 0.00 0.00 178.15 180.13 2k40 h GLN 46 N 0.18 -0.22 -0.64 2.37 1.08 -0.42 0.11 115.11 117.56 2k40 h GLN 46 Ca -0.07 0.01 0.01 0.00 -1.45 0.00 0.00 58.65 57.16 2k40 h GLN 46 Cb 1.34 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 28.79 2k40 h GLN 46 CO 0.14 -0.15 0.42 0.82 -0.95 0.00 0.00 178.83 179.11 2k40 h ILE 47 N -0.23 1.15 0.04 2.54 2.04 -1.05 0.25 117.51 122.25 2k40 h ILE 47 Ca 0.13 -0.30 0.02 0.00 1.00 0.00 0.00 64.86 65.71 2k40 h ILE 47 Cb 0.42 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2k40 h ILE 47 CO -0.34 0.16 -0.19 -0.25 0.00 0.00 0.00 178.15 177.52 2k40 h TRP 48 N 0.86 -0.51 -0.29 1.37 7.01 -0.67 -0.37 115.95 123.36 2k40 h TRP 48 Ca 0.24 0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.27 2k40 h TRP 48 Cb -0.08 0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.17 2k40 h TRP 48 CO -0.03 -0.28 0.16 0.74 -2.79 0.00 0.00 178.44 176.24 2k40 h PHE 49 N -0.33 0.30 -0.35 2.65 0.04 -0.50 -0.93 116.94 117.82 2k40 h PHE 49 Ca 0.04 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.85 2k40 h PHE 49 Cb 0.39 -0.09 -0.03 0.00 2.20 0.00 0.00 35.95 38.41 2k40 h PHE 49 CO -0.22 0.17 0.17 0.37 -0.60 0.00 0.00 178.31 178.20 2k40 h GLN 50 N 0.33 0.33 -0.77 1.51 -0.00 -0.86 0.10 115.11 115.76 2k40 h GLN 50 Ca 0.12 -0.02 -0.04 0.00 -0.00 0.00 0.00 58.65 58.70 2k40 h GLN 50 Cb 0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 27.48 27.39 2k40 h GLN 50 CO -0.07 0.22 0.31 -0.91 0.00 0.00 0.00 178.83 178.39 2k40 h ASN 51 N 0.34 1.05 0.18 -0.69 2.35 -0.77 0.83 115.58 118.87 2k40 h ASN 51 Ca 0.15 -0.16 0.01 0.00 -0.55 0.00 0.00 56.30 55.76 2k40 h ASN 51 Cb 0.07 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.14 2k40 h ASN 51 CO -0.11 0.92 -0.26 0.03 -1.65 0.00 0.00 177.43 176.36 2k40 h ARG 52 N 1.11 -0.49 0.00 0.81 -0.00 -0.80 -1.81 114.38 113.20 2k40 h ARG 52 Ca 0.26 0.03 -0.08 0.00 -0.50 0.00 0.00 59.98 59.69 2k40 h ARG 52 Cb 0.20 0.11 -0.01 0.00 0.00 0.00 0.00 29.97 30.27 2k40 h ARG 52 CO -0.02 -0.33 -0.38 -0.09 0.00 0.00 0.00 179.97 179.15 2k40 h ARG 53 N -0.51 0.00 -0.03 0.04 1.12 -0.53 -0.65 114.38 113.82 2k40 h ARG 53 Ca 0.01 0.00 -0.16 0.00 -1.11 0.00 0.00 59.98 58.73 2k40 h ARG 53 Cb 0.51 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.45 2k40 h ARG 53 CO -0.11 0.38 -0.69 0.00 -3.11 0.00 0.00 179.97 176.44 2k40 h ALA 54 N 1.62 0.78 0.42 2.80 0.00 -0.84 -3.35 119.26 120.69 2k40 h ALA 54 Ca -0.00 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.28 2k40 h ALA 54 Cb 0.72 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2k40 h ALA 54 CO 0.05 0.80 -0.20 -0.22 0.00 0.00 0.00 179.25 179.68 2k40 h LYS 55 N 0.12 -0.55 -7.14 0.00 3.64 -0.65 -3.47 116.57 108.51 2k40 h LYS 55 Ca -0.02 0.04 -0.32 0.00 -1.27 0.00 0.00 60.65 59.09 2k40 h LYS 55 Cb 1.23 0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 33.16 2k40 h LYS 55 CO 0.10 -0.27 -0.53 -0.11 -2.27 0.00 0.00 179.45 176.38 2k40 n LEU 56 N -5.17 -0.07 0.00 5.20 7.94 -0.31 -0.74 117.00 123.85 2k40 n LEU 56 Ca -0.09 -0.68 0.00 0.00 -1.11 0.00 0.00 56.01 54.13 2k40 n LEU 56 Cb 0.27 -0.82 0.00 0.00 0.53 0.00 0.00 43.42 43.41 2k40 n LEU 56 CO 0.24 0.42 0.00 2.29 -1.11 0.00 0.00 177.39 179.23 2k40 n LYS 57 N -3.08 -1.16 0.00 1.96 2.85 -1.26 -4.87 118.16 112.60 2k40 n LYS 57 Ca -0.06 0.15 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 2k40 n LYS 57 Cb 0.29 -3.39 0.00 0.00 -0.65 0.00 0.00 35.03 31.28 2k40 n LYS 57 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2k40 n ARG 58 N 0.06 0.00 -0.25 -1.58 1.74 0.09 -1.25 116.66 115.47 2k40 n ARG 58 Ca 0.00 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 2k40 n ARG 58 Cb 0.15 0.00 0.18 0.00 -1.02 0.00 0.00 32.46 31.77 2k40 n ARG 58 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2k40 n SER 59 N 0.00 3.09 -4.38 0.55 7.64 -1.26 -5.05 113.62 114.21 2k40 n SER 59 Ca 0.00 -2.81 -0.20 0.00 1.01 0.00 0.00 58.87 56.87 2k40 n SER 59 Cb 0.00 -0.42 -0.10 0.00 -1.01 0.00 0.00 64.21 62.68 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 -2.44 1.81 0.06 1.43 3.76 -0.38 -5.08 115.29 114.45 2k40 s HIS 60 Ca 0.32 -0.60 -0.30 0.00 -0.15 0.00 0.00 55.06 54.33 2k40 s HIS 60 Cb 0.26 -0.90 -0.18 0.00 1.11 0.00 0.00 32.58 32.87 2k40 s HIS 60 CO 0.07 0.36 1.53 0.00 -0.85 0.00 0.00 174.74 175.85 2k40 h ARG 61 N 2.46 -0.73 -0.86 1.40 2.47 -1.97 -3.48 114.38 113.68 2k40 h ARG 61 Ca -0.39 0.05 -0.16 0.00 -1.26 0.00 0.00 59.98 58.22 2k40 h ARG 61 Cb 1.23 0.17 -0.06 0.00 -1.65 0.00 0.00 29.97 29.65 2k40 h ARG 61 CO 0.63 -0.46 -0.15 -1.91 0.56 0.00 0.00 179.97 178.65 2k40 n GLU 62 N -5.39 -1.56 -2.01 0.04 2.13 -1.26 -4.92 120.64 107.68 2k40 n GLU 62 Ca -0.12 0.58 -0.36 0.00 0.66 0.00 0.00 57.16 57.92 2k40 n GLU 62 Cb 0.32 -4.63 -0.03 0.00 0.27 0.00 0.00 31.44 27.38 2k40 n GLU 62 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 2k40 s SER 63 N -1.76 5.18 -0.06 4.31 1.04 -1.26 -4.94 113.70 116.21 2k40 s SER 63 Ca 0.00 0.20 -0.02 0.00 0.48 0.00 0.00 55.95 56.61 2k40 s SER 63 Cb 0.00 -2.53 0.04 0.00 0.10 0.00 0.00 66.02 63.63 2k40 s SER 63 CO 0.00 -2.49 0.11 -1.58 0.98 0.00 0.00 173.24 170.27 2k40 s GLN 64 N 7.13 0.01 -0.13 4.02 -0.44 -1.26 -5.16 119.66 123.83 2k40 s GLN 64 Ca 0.70 0.43 -0.14 0.00 -2.50 0.00 0.00 55.36 53.84 2k40 s GLN 64 Cb -0.12 -0.31 0.04 0.00 -1.64 0.00 0.00 33.01 30.98 2k40 s GLN 64 CO 0.17 -0.27 0.38 0.12 0.50 0.00 0.00 175.29 176.20 2k40 s PHE 65 N 1.87 -0.39 0.36 1.67 5.36 -1.26 -5.07 117.98 120.51 2k40 s PHE 65 Ca -0.01 0.93 0.00 0.00 -0.96 0.00 0.00 56.93 56.89 2k40 s PHE 65 Cb -0.12 0.14 0.00 0.00 -0.34 0.00 0.00 43.02 42.70 2k40 s PHE 65 CO -0.05 -0.24 0.00 -0.11 -1.46 0.00 0.00 175.22 173.37 2k40 n LEU 66 N 2.62 -2.93 0.00 6.12 7.94 -1.26 -5.35 117.00 124.14 2k40 n LEU 66 Ca -0.14 0.68 0.00 0.00 -1.11 0.00 0.00 56.01 55.44 2k40 n LEU 66 Cb 0.57 2.83 0.00 0.00 0.53 0.00 0.00 43.42 47.35 2k40 n LEU 66 CO 0.15 0.01 0.00 1.15 -1.11 0.00 0.00 177.39 177.59