#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 0.00 -2.91 1.61 3.00 -1.26 -4.43 116.66 112.67 2k40 n ARG 2 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 57.85 57.82 2k40 n ARG 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2k40 n ARG 2 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 2k40 s ARG 3 N 0.00 0.86 -1.16 5.56 0.52 -1.26 -5.09 118.95 118.39 2k40 s ARG 3 Ca 0.00 -0.65 -0.22 0.00 -0.52 0.00 0.00 55.73 54.34 2k40 s ARG 3 Cb 0.00 0.01 -0.03 0.00 0.52 0.00 0.00 34.95 35.45 2k40 s ARG 3 CO 0.00 -1.13 1.86 -1.25 0.02 0.00 0.00 175.30 174.80 2k40 s PRO 4 N 1.29 2.93 0.00 3.54 0.04 -1.26 -4.14 135.00 137.40 2k40 s PRO 4 Ca 0.24 -1.23 0.00 0.00 0.04 0.00 0.00 61.00 60.05 2k40 s PRO 4 Cb -0.00 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 29.24 2k40 s PRO 4 CO -0.07 -3.37 0.00 -2.13 0.04 0.00 0.00 177.00 171.48 2k40 n ARG 5 N 8.44 0.00 0.00 4.56 0.00 -1.26 -4.76 116.66 123.64 2k40 n ARG 5 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.29 2k40 n ARG 5 Cb 0.47 -3.57 0.00 0.00 0.00 0.00 0.00 32.46 29.35 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 -1.64 0.00 -0.88 5.15 -1.04 -1.26 -4.95 114.28 109.65 2k40 n THR 6 Ca 0.00 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.09 2k40 n THR 6 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 2k40 n THR 6 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k40 n ALA 7 N 1.84 -2.78 -3.70 2.41 0.00 -1.26 -5.08 120.51 111.93 2k40 n ALA 7 Ca 0.00 0.29 -0.12 0.00 0.00 0.00 0.00 53.44 53.61 2k40 n ALA 7 Cb 0.00 -0.91 -0.04 0.00 0.00 0.00 0.00 19.45 18.51 2k40 n ALA 7 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2k40 n PHE 8 N -2.91 -0.27 -2.10 0.00 3.72 -1.26 -5.15 117.46 109.49 2k40 n PHE 8 Ca -0.01 -1.34 -0.36 0.00 -0.05 0.00 0.00 57.45 55.68 2k40 n PHE 8 Cb 0.58 0.10 0.02 0.00 -0.94 0.00 0.00 39.48 39.24 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 -2.57 2.80 0.48 4.37 -1.32 -1.26 -4.91 115.64 113.24 2k40 s THR 9 Ca 0.17 0.53 0.17 0.00 -1.21 0.00 0.00 61.69 61.35 2k40 s THR 9 Cb 0.01 -3.23 0.32 0.00 -1.51 0.00 0.00 72.50 68.09 2k40 s THR 9 CO 0.12 -0.08 2.05 -0.61 -2.21 0.00 0.00 174.62 173.89 2k40 h GLN 10 N 1.28 0.19 0.00 7.08 4.15 -2.01 -0.93 115.11 124.87 2k40 h GLN 10 Ca -0.50 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.91 2k40 h GLN 10 Cb 1.28 -0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.93 2k40 h GLN 10 CO 0.57 0.13 0.00 -1.71 -1.93 0.00 0.00 178.83 175.89 2k40 n ASN 11 N -4.47 0.55 -0.04 -0.69 5.15 -1.26 -0.64 115.26 113.86 2k40 n ASN 11 Ca 0.05 0.69 -0.22 0.00 -0.60 0.00 0.00 54.58 54.50 2k40 n ASN 11 Cb 0.31 -0.78 -0.13 0.00 -0.53 0.00 0.00 39.78 38.65 2k40 n ASN 11 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 2k40 n GLN 12 N -2.16 0.69 0.08 1.20 -0.06 -0.39 -4.28 117.38 112.46 2k40 n GLN 12 Ca 0.01 0.38 -0.12 0.00 -2.00 0.00 0.00 57.00 55.26 2k40 n GLN 12 Cb 0.13 -1.72 -0.05 0.00 -4.06 0.00 0.00 30.24 24.54 2k40 n GLN 12 CO 0.00 0.00 0.00 0.82 -0.20 0.00 0.00 177.06 177.68 2k40 h ILE 13 N -0.33 0.49 -0.36 1.69 1.08 -0.89 -2.47 117.51 116.72 2k40 h ILE 13 Ca -0.40 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.12 2k40 h ILE 13 Cb 1.77 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 35.99 2k40 h ILE 13 CO -0.03 0.00 0.25 -0.33 -0.69 0.00 0.00 178.15 177.35 2k40 h GLU 14 N -0.38 0.26 -0.19 2.37 4.39 -1.11 0.30 114.58 120.22 2k40 h GLU 14 Ca 0.04 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.65 2k40 h GLU 14 Cb 0.44 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2k40 h GLU 14 CO -0.17 0.17 -0.18 0.28 -1.16 0.00 0.00 179.01 177.95 2k40 h VAL 15 N 0.27 1.33 -0.14 3.13 2.07 -1.69 -1.41 116.25 119.81 2k40 h VAL 15 Ca 0.16 -1.34 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 2k40 h VAL 15 Cb 0.29 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 2k40 h VAL 15 CO -0.03 0.41 0.03 -0.07 0.02 0.00 0.00 177.57 177.93 2k40 h LEU 16 N 0.12 0.21 -0.59 2.57 3.38 -0.82 -2.16 115.31 118.02 2k40 h LEU 16 Ca 0.03 -0.23 0.07 0.00 0.09 0.00 0.00 57.88 57.84 2k40 h LEU 16 Cb 0.72 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.36 2k40 h LEU 16 CO 0.05 0.39 0.28 -0.33 0.09 0.00 0.00 178.44 178.91 2k40 h GLU 17 N 0.03 0.50 0.00 1.13 4.39 -0.55 -0.26 114.58 119.81 2k40 h GLU 17 Ca 0.04 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2k40 h GLU 17 Cb 0.26 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.79 2k40 h GLU 17 CO 0.00 0.33 -0.07 -0.97 -1.16 0.00 0.00 179.01 177.15 2k40 h ASN 18 N 0.52 0.00 0.01 1.42 -1.24 -1.09 0.93 115.58 116.13 2k40 h ASN 18 Ca 0.28 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.23 2k40 h ASN 18 Cb 0.25 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.30 2k40 h ASN 18 CO -0.22 0.07 -0.25 0.58 -1.29 0.00 0.00 177.43 176.32 2k40 h VAL 19 N 0.00 1.58 -0.65 2.57 2.07 -0.70 -3.34 116.25 117.79 2k40 h VAL 19 Ca -0.00 -2.03 0.14 0.00 0.82 0.00 0.00 66.70 65.63 2k40 h VAL 19 Cb 0.15 2.88 -0.04 0.00 -1.52 0.00 0.00 31.29 32.76 2k40 h VAL 19 CO 0.01 0.55 0.44 0.15 0.02 0.00 0.00 177.57 178.74 2k40 h PHE 20 N -0.57 0.32 -0.16 1.57 3.57 -0.48 0.12 116.94 121.33 2k40 h PHE 20 Ca -0.03 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.52 2k40 h PHE 20 Cb 1.04 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 2k40 h PHE 20 CO 0.19 0.13 0.17 -0.09 -2.23 0.00 0.00 178.31 176.49 2k40 h ARG 21 N 0.28 0.00 0.00 1.11 2.43 -0.95 -2.86 114.38 114.39 2k40 h ARG 21 Ca 0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.48 2k40 h ARG 21 Cb 0.83 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.38 2k40 h ARG 21 CO -0.07 0.00 -0.98 1.33 -1.51 0.00 0.00 179.97 178.73 2k40 n VAL 22 N -3.82 0.00 -3.49 0.20 0.24 -0.37 -4.88 118.33 106.22 2k40 n VAL 22 Ca 0.01 0.00 -0.27 0.00 -2.04 0.00 0.00 64.34 62.04 2k40 n VAL 22 Cb 0.29 -0.93 -0.10 0.00 -1.47 0.00 0.00 33.84 31.63 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 -2.03 1.22 0.27 -1.34 4.13 0.29 -4.99 115.26 112.82 2k40 n ASN 23 Ca 0.00 -2.82 0.13 0.00 1.68 0.00 0.00 54.58 53.56 2k40 n ASN 23 Cb 0.49 -0.64 0.81 0.00 -1.54 0.00 0.00 39.78 38.90 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 -4.79 2.03 0.22 0.00 2.02 -1.26 -4.86 117.35 110.71 2k40 s TYR 25 Ca -0.05 -1.66 -0.03 0.00 -0.37 0.00 0.00 57.07 54.96 2k40 s TYR 25 Cb 0.16 -1.60 0.05 0.00 -0.40 0.00 0.00 41.96 40.16 2k40 s TYR 25 CO 0.59 -0.78 0.30 -0.35 -1.57 0.00 0.00 175.55 173.74 2k40 n PRO 26 N 4.76 -0.18 -2.59 -1.71 -0.04 -1.20 -5.12 135.00 128.94 2k40 n PRO 26 Ca -0.07 -0.51 -0.25 0.00 -0.04 0.00 0.00 63.50 62.62 2k40 n PRO 26 Cb 0.44 -0.29 0.03 0.00 -0.04 0.00 0.00 33.50 33.63 2k40 n PRO 26 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k40 s GLY 27 N -3.57 1.60 0.25 0.55 0.00 -1.26 -4.99 107.32 99.90 2k40 s GLY 27 Ca 0.17 -0.83 -0.04 0.00 0.00 0.00 0.00 44.72 44.02 2k40 s GLY 27 CO 0.12 -0.58 1.78 -2.22 0.00 0.00 0.00 173.10 172.20 2k40 h ILE 28 N 0.01 1.24 0.00 0.90 1.08 -1.99 -2.08 117.51 116.68 2k40 h ILE 28 Ca -0.46 -0.90 -0.01 0.00 -0.39 0.00 0.00 64.86 63.11 2k40 h ILE 28 Cb 1.26 0.63 -0.00 0.00 -3.07 0.00 0.00 36.82 35.63 2k40 h ILE 28 CO 0.59 0.34 -0.05 0.44 -0.69 0.00 0.00 178.15 178.78 2k40 h ASP 29 N 0.91 0.00 0.39 1.72 3.32 -1.98 0.17 116.42 120.95 2k40 h ASP 29 Ca 0.19 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.94 2k40 h ASP 29 Cb 0.34 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.91 2k40 h ASP 29 CO 0.00 0.05 -1.34 0.40 -1.72 0.00 0.00 179.24 176.63 2k40 h ILE 30 N 0.00 1.37 -0.00 0.35 1.08 -1.80 0.45 117.51 118.96 2k40 h ILE 30 Ca -0.00 -2.79 -0.00 0.00 -0.39 0.00 0.00 64.86 61.68 2k40 h ILE 30 Cb 0.10 2.94 -0.00 0.00 -3.07 0.00 0.00 36.82 36.79 2k40 h ILE 30 CO 0.01 0.83 0.00 -0.07 -0.69 0.00 0.00 178.15 178.23 2k40 h LEU 31 N 0.14 0.00 -0.47 1.44 3.38 -0.83 -1.29 115.31 117.69 2k40 h LEU 31 Ca -0.20 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 57.76 2k40 h LEU 31 Cb 2.04 -0.00 -0.05 0.00 0.09 0.00 0.00 40.66 42.74 2k40 h LEU 31 CO 0.24 0.08 0.18 -0.33 0.09 0.00 0.00 178.44 178.70 2k40 h GLU 32 N -0.07 0.36 -0.58 1.13 4.39 -0.75 0.11 114.58 119.18 2k40 h GLU 32 Ca 0.00 -0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.61 2k40 h GLU 32 Cb 0.07 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2k40 h GLU 32 CO -0.00 0.24 0.07 0.22 -1.16 0.00 0.00 179.01 178.37 2k40 h ASP 33 N 0.37 0.91 -0.19 1.42 3.58 -0.85 0.38 116.42 122.04 2k40 h ASP 33 Ca 0.22 -0.21 -0.03 0.00 0.42 0.00 0.00 57.03 57.43 2k40 h ASP 33 Cb 0.20 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.00 2k40 h ASP 33 CO -0.21 0.93 0.01 -0.07 -2.88 0.00 0.00 179.24 177.02 2k40 h LEU 34 N 0.89 0.33 -0.38 2.28 3.38 -1.09 -1.47 115.31 119.26 2k40 h LEU 34 Ca 0.18 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.90 2k40 h LEU 34 Cb 0.43 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 2k40 h LEU 34 CO 0.01 0.55 0.10 0.00 0.09 0.00 0.00 178.44 179.19 2k40 h ALA 35 N 0.79 0.42 0.01 1.53 0.00 -0.56 -0.69 119.26 120.78 2k40 h ALA 35 Ca 0.06 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2k40 h ALA 35 Cb 0.37 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2k40 h ALA 35 CO 0.01 -0.30 -0.03 0.37 0.00 0.00 0.00 179.25 179.31 2k40 h GLN 36 N 0.24 -0.04 0.00 0.00 5.75 -0.97 -1.33 115.11 118.76 2k40 h GLN 36 Ca 0.18 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.68 2k40 h GLN 36 Cb 0.18 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.74 2k40 h GLN 36 CO -0.21 -0.03 0.00 0.87 -2.65 0.00 0.00 178.83 176.82 2k40 h LYS 37 N -0.04 0.00 -0.02 1.69 1.57 -0.99 -1.90 116.57 116.88 2k40 h LYS 37 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2k40 h LYS 37 Cb 0.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2k40 h LYS 37 CO -0.01 0.00 -0.25 1.28 -0.57 0.00 0.00 179.45 179.89 2k40 n LEU 38 N -2.91 2.22 -3.80 2.94 4.77 -0.29 -5.02 117.00 114.92 2k40 n LEU 38 Ca -0.00 -0.86 -0.34 0.00 -0.03 0.00 0.00 56.01 54.78 2k40 n LEU 38 Cb 0.21 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.33 2k40 n LEU 38 CO 0.23 0.40 -0.11 -3.20 -1.33 0.00 0.00 177.39 173.38 2k40 n ASN 39 N 0.43 -5.01 -3.58 -1.43 5.15 -0.71 -5.03 115.26 105.09 2k40 n ASN 39 Ca 0.10 -1.05 -0.18 0.00 -0.60 0.00 0.00 54.58 52.85 2k40 n ASN 39 Cb 0.46 -2.63 -0.14 0.00 -0.53 0.00 0.00 39.78 36.94 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 -6.43 -0.09 0.66 1.20 1.43 -0.54 -5.06 118.68 109.86 2k40 s LEU 40 Ca 0.38 0.01 -0.18 0.00 -1.03 0.00 0.00 54.13 53.32 2k40 s LEU 40 Cb -0.17 0.34 -0.00 0.00 0.03 0.00 0.00 46.19 46.39 2k40 s LEU 40 CO 0.90 -0.29 1.28 -1.83 0.23 0.00 0.00 176.35 176.64 2k40 s GLU 41 N 2.31 2.46 0.45 1.70 1.03 -1.26 -4.21 118.70 121.18 2k40 s GLU 41 Ca 0.05 2.03 0.20 0.00 0.03 0.00 0.00 54.97 57.27 2k40 s GLU 41 Cb -0.14 -1.84 1.16 0.00 -0.80 0.00 0.00 34.13 32.51 2k40 s GLU 41 CO -0.09 -1.66 1.89 1.25 -1.33 0.00 0.00 175.26 175.32 2k40 h LEU 42 N 0.39 0.31 -0.30 1.83 6.46 -1.91 0.40 115.31 122.49 2k40 h LEU 42 Ca -0.50 0.03 0.05 0.00 -0.12 0.00 0.00 57.88 57.33 2k40 h LEU 42 Cb 1.33 -0.03 -0.04 0.00 -0.73 0.00 0.00 40.66 41.19 2k40 h LEU 42 CO 0.52 0.14 0.03 -0.78 -0.62 0.00 0.00 178.44 177.73 2k40 h ASP 43 N 0.32 -0.05 -0.43 1.25 1.82 -1.98 0.27 116.42 117.61 2k40 h ASP 43 Ca 0.41 0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 57.09 2k40 h ASP 43 Cb 1.13 0.09 -0.02 0.00 0.68 0.00 0.00 39.33 41.22 2k40 h ASP 43 CO -0.12 0.01 0.19 0.03 -1.61 0.00 0.00 179.24 177.73 2k40 h ARG 44 N 0.13 0.63 -0.28 0.28 3.08 -1.26 -0.63 114.38 116.33 2k40 h ARG 44 Ca 0.14 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 2k40 h ARG 44 Cb 0.17 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.10 2k40 h ARG 44 CO -0.21 0.57 -0.24 0.82 -1.07 0.00 0.00 179.97 179.84 2k40 h ILE 45 N 0.55 1.26 0.60 2.04 1.08 -1.23 0.89 117.51 122.71 2k40 h ILE 45 Ca 0.15 -1.27 -0.02 0.00 -0.39 0.00 0.00 64.86 63.33 2k40 h ILE 45 Cb 0.16 1.31 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 2k40 h ILE 45 CO -0.01 0.41 -0.40 1.56 -0.69 0.00 0.00 178.15 179.01 2k40 h GLN 46 N 0.48 -0.93 -0.24 2.37 1.08 -0.27 0.52 115.11 118.13 2k40 h GLN 46 Ca 0.07 0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 2k40 h GLN 46 Cb 0.67 0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.30 2k40 h GLN 46 CO 0.05 -0.62 0.16 0.82 -0.95 0.00 0.00 178.83 178.29 2k40 h ILE 47 N -0.96 1.06 0.53 2.54 5.03 -1.01 0.89 117.51 125.60 2k40 h ILE 47 Ca -0.07 -0.11 -0.03 0.00 -0.12 0.00 0.00 64.86 64.53 2k40 h ILE 47 Cb 0.79 0.71 0.01 0.00 -3.03 0.00 0.00 36.82 35.30 2k40 h ILE 47 CO 0.05 0.06 -0.26 -0.25 -0.68 0.00 0.00 178.15 177.07 2k40 h TRP 48 N 0.32 -0.66 -0.79 1.37 7.01 -0.56 -1.08 115.95 121.57 2k40 h TRP 48 Ca 0.09 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.10 2k40 h TRP 48 Cb -0.04 0.22 -0.05 0.00 -2.10 0.00 0.00 29.16 27.19 2k40 h TRP 48 CO 0.00 -0.35 0.50 0.74 -2.79 0.00 0.00 178.44 176.54 2k40 h PHE 49 N -0.87 0.94 0.06 2.65 0.04 -0.42 -1.76 116.94 117.58 2k40 h PHE 49 Ca -0.07 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.75 2k40 h PHE 49 Cb 0.61 -0.31 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 2k40 h PHE 49 CO -0.01 0.54 -0.31 1.96 -0.60 0.00 0.00 178.31 179.89 2k40 h GLN 50 N 0.97 -0.48 -0.06 1.51 1.08 -0.88 0.16 115.11 117.42 2k40 h GLN 50 Ca 0.32 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.55 2k40 h GLN 50 Cb 0.02 0.11 0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2k40 h GLN 50 CO -0.11 -0.32 0.00 0.09 -0.95 0.00 0.00 178.83 177.54 2k40 n ASN 51 N -5.41 0.06 -0.08 1.46 3.02 -0.41 -0.53 115.26 113.37 2k40 n ASN 51 Ca -0.06 -1.40 -0.07 0.00 -0.03 0.00 0.00 54.58 53.02 2k40 n ASN 51 Cb 0.32 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.44 2k40 n ASN 51 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2k40 n ARG 52 N -0.44 0.46 -0.17 3.52 3.00 -0.63 -4.21 116.66 118.19 2k40 n ARG 52 Ca 0.00 0.26 -0.05 0.00 -0.01 0.00 0.00 57.85 58.05 2k40 n ARG 52 Cb 0.02 -1.40 0.04 0.00 0.00 0.00 0.00 32.46 31.12 2k40 n ARG 52 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.63 177.54 2k40 h ARG 53 N -0.90 0.58 0.00 5.56 1.12 -0.67 -1.08 114.38 118.99 2k40 h ARG 53 Ca 0.00 -0.03 -0.08 0.00 -1.11 0.00 0.00 59.98 58.76 2k40 h ARG 53 Cb 0.80 -0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.61 2k40 h ARG 53 CO 0.00 0.38 -0.37 0.00 -3.11 0.00 0.00 179.97 176.87 2k40 h ALA 54 N 1.24 1.14 0.14 2.80 0.00 -1.05 -2.75 119.26 120.78 2k40 h ALA 54 Ca 0.21 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2k40 h ALA 54 Cb 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2k40 h ALA 54 CO -0.10 0.46 -0.07 -0.22 0.00 0.00 0.00 179.25 179.32 2k40 h LYS 55 N 0.00 -0.18 -0.02 0.00 3.64 -1.45 -2.80 116.57 115.76 2k40 h LYS 55 Ca -0.00 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2k40 h LYS 55 Cb 0.78 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.64 2k40 h LYS 55 CO 0.05 0.11 0.02 -0.07 -2.27 0.00 0.00 179.45 177.28 2k40 h LEU 56 N -0.47 0.00 0.83 5.20 4.07 -1.15 0.82 115.31 124.61 2k40 h LEU 56 Ca -0.02 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 57.90 2k40 h LEU 56 Cb 0.37 0.00 0.01 0.00 1.08 0.00 0.00 40.66 42.12 2k40 h LEU 56 CO 0.03 0.00 -0.40 0.50 -1.08 0.00 0.00 178.44 177.50 2k40 h LYS 57 N 0.00 -1.07 0.00 1.13 3.64 -1.43 -3.33 116.57 115.51 2k40 h LYS 57 Ca 0.01 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 2k40 h LYS 57 Cb 0.04 0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2k40 h LYS 57 CO -0.00 -0.71 0.00 -2.13 -2.27 0.00 0.00 179.45 174.34 2k40 n ARG 58 N -5.06 0.18 -0.96 1.90 0.63 -0.82 -4.88 116.66 107.67 2k40 n ARG 58 Ca -0.14 0.18 -0.28 0.00 -0.92 0.00 0.00 57.85 56.69 2k40 n ARG 58 Cb 0.44 -1.72 0.20 0.00 0.45 0.00 0.00 32.46 31.83 2k40 n ARG 58 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2k40 s SER 59 N -4.07 2.01 -0.02 6.15 0.15 0.22 -5.09 113.70 113.05 2k40 s SER 59 Ca 0.11 1.29 0.00 0.00 0.70 0.00 0.00 55.95 58.05 2k40 s SER 59 Cb 0.14 -1.99 0.02 0.00 -1.71 0.00 0.00 66.02 62.47 2k40 s SER 59 CO 0.55 -3.53 0.00 -2.28 1.20 0.00 0.00 173.24 169.19 2k40 s HIS 60 N -2.80 0.18 -0.19 3.44 2.46 -1.26 -4.92 115.29 112.20 2k40 s HIS 60 Ca 0.66 0.02 -0.03 0.00 0.47 0.00 0.00 55.06 56.18 2k40 s HIS 60 Cb -0.21 -0.25 0.01 0.00 -0.13 0.00 0.00 32.58 32.01 2k40 s HIS 60 CO 0.60 -0.07 0.07 -2.13 -2.47 0.00 0.00 174.74 170.73 2k40 n ARG 61 N 3.73 -3.00 -3.22 2.88 0.00 -1.26 -5.05 116.66 110.73 2k40 n ARG 61 Ca -0.22 2.46 -0.24 0.00 -0.00 0.00 0.00 57.85 59.85 2k40 n ARG 61 Cb 0.54 -4.08 -0.07 0.00 0.00 0.00 0.00 32.46 28.85 2k40 n ARG 61 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2k40 n GLU 62 N 1.25 1.01 -1.24 -0.14 -0.58 -1.26 -5.03 120.64 114.65 2k40 n GLU 62 Ca -0.11 -3.46 -0.27 0.00 -0.42 0.00 0.00 57.16 52.90 2k40 n GLU 62 Cb 0.26 -1.39 -0.09 0.00 -0.57 0.00 0.00 31.44 29.65 2k40 n GLU 62 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 2k40 n SER 63 N 1.27 7.13 -3.87 1.62 3.41 -1.26 -4.93 113.62 116.99 2k40 n SER 63 Ca 0.23 -2.61 -0.30 0.00 -0.26 0.00 0.00 58.87 55.92 2k40 n SER 63 Cb 0.52 -1.47 0.23 0.00 -0.26 0.00 0.00 64.21 63.23 2k40 n SER 63 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2k40 s GLN 64 N 1.20 -0.91 0.23 4.33 1.03 -1.26 -5.13 119.66 119.16 2k40 s GLN 64 Ca 0.67 -0.12 0.01 0.00 0.04 0.00 0.00 55.36 55.96 2k40 s GLN 64 Cb 0.25 -1.64 -0.05 0.00 0.03 0.00 0.00 33.01 31.60 2k40 s GLN 64 CO -0.05 -3.49 0.08 0.12 -2.54 0.00 0.00 175.29 169.41 2k40 s PHE 65 N -3.15 1.42 0.00 9.60 5.36 -1.26 -5.11 117.98 124.83 2k40 s PHE 65 Ca 0.71 -1.18 0.00 0.00 -0.96 0.00 0.00 56.93 55.51 2k40 s PHE 65 Cb -0.09 -0.81 0.00 0.00 -0.34 0.00 0.00 43.02 41.78 2k40 s PHE 65 CO 0.56 -0.36 0.52 1.28 -1.46 0.00 0.00 175.22 175.76 2k40 n LEU 66 N -0.39 0.78 0.00 6.12 4.77 -1.26 -5.08 117.00 121.94 2k40 n LEU 66 Ca -0.01 -0.78 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 2k40 n LEU 66 Cb 0.66 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 2k40 n LEU 66 CO 0.36 0.20 0.01 0.23 -1.33 0.00 0.00 177.39 176.85