#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k27 s PRO 2 N 0.00 3.09 -1.29 0.03 0.04 -1.26 -4.91 135.00 130.71 2k27 s PRO 2 Ca 0.00 0.67 -0.18 0.00 0.04 0.00 0.00 61.00 61.53 2k27 s PRO 2 Cb 0.00 -4.22 0.04 0.00 0.04 0.00 0.00 34.50 30.36 2k27 s PRO 2 CO 0.00 -2.18 1.83 1.58 0.04 0.00 0.00 177.00 178.27 2k27 n HIS 3 N 10.70 4.20 -0.36 0.56 -0.00 -1.26 -4.78 115.22 124.28 2k27 n HIS 3 Ca 0.17 -2.63 0.02 0.00 0.46 0.00 0.00 57.72 55.73 2k27 n HIS 3 Cb 0.50 -2.61 -0.01 0.00 -0.12 0.00 0.00 29.99 27.75 2k27 n HIS 3 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 2k27 n ASN 4 N 9.00 -1.94 -4.76 0.26 3.02 -1.26 -4.97 115.26 114.60 2k27 n ASN 4 Ca 0.49 0.40 -0.33 0.00 -0.03 0.00 0.00 54.58 55.11 2k27 n ASN 4 Cb 0.45 -0.77 0.05 0.00 -0.61 0.00 0.00 39.78 38.91 2k27 n ASN 4 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2k27 s SER 5 N -4.10 4.97 0.12 6.41 0.01 -1.26 -5.08 113.70 114.77 2k27 s SER 5 Ca 0.00 2.08 0.02 0.00 1.31 0.00 0.00 55.95 59.37 2k27 s SER 5 Cb 0.00 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 63.63 2k27 s SER 5 CO 0.00 -1.73 -0.06 0.27 0.41 0.00 0.00 173.24 172.13 2k27 s ILE 6 N -2.23 0.79 -1.43 1.44 -4.36 -1.26 -5.07 121.20 109.08 2k27 s ILE 6 Ca 0.69 -1.97 -0.12 0.00 -0.26 0.00 0.00 60.65 58.99 2k27 s ILE 6 Cb -0.22 -1.77 0.06 0.00 1.25 0.00 0.00 42.46 41.78 2k27 s ILE 6 CO 0.41 -0.80 2.24 -1.14 0.24 0.00 0.00 174.94 175.89 2k27 n ARG 7 N -0.10 3.17 -2.10 0.37 0.00 -1.26 -4.97 116.66 111.78 2k27 n ARG 7 Ca -0.11 -2.79 -0.39 0.00 -0.00 0.00 0.00 57.85 54.56 2k27 n ARG 7 Cb 0.61 -3.13 -0.00 0.00 0.00 0.00 0.00 32.46 29.93 2k27 n ARG 7 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 2k27 s SER 8 N 2.47 6.23 0.00 6.15 0.01 -1.26 -4.83 113.70 122.47 2k27 s SER 8 Ca 0.48 2.55 0.00 0.00 1.31 0.00 0.00 55.95 60.29 2k27 s SER 8 Cb 0.14 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.74 2k27 s SER 8 CO -0.07 -0.89 0.00 0.61 0.41 0.00 0.00 173.24 173.30 2k27 n GLY 9 N 0.64 -1.49 3.82 3.44 0.00 -1.26 -5.02 105.19 105.31 2k27 n GLY 9 Ca 0.05 -1.45 -0.31 0.00 0.00 0.00 0.00 46.02 44.31 2k27 n GLY 9 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k27 s HIS 10 N -3.36 3.10 -1.51 1.61 0.09 -1.26 -4.95 115.29 109.01 2k27 s HIS 10 Ca 0.00 1.42 -0.13 0.00 -0.00 0.00 0.00 55.06 56.35 2k27 s HIS 10 Cb 0.00 -2.89 -0.00 0.00 -0.00 0.00 0.00 32.58 29.69 2k27 s HIS 10 CO 0.00 -1.25 2.46 0.41 -0.00 0.00 0.00 174.74 176.36 2k27 n GLY 11 N -1.97 4.36 7.00 -2.22 0.00 -1.26 -4.90 105.19 106.20 2k27 n GLY 11 Ca 0.08 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.53 2k27 n GLY 11 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k27 n GLY 12 N 3.94 3.38 2.73 -0.02 0.00 -1.26 -4.31 105.19 109.65 2k27 n GLY 12 Ca 0.60 -0.11 -0.19 0.00 0.00 0.00 0.00 46.02 46.32 2k27 n GLY 12 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k27 s LEU 13 N 0.00 -0.13 0.11 0.99 1.98 -1.26 -5.14 118.68 115.23 2k27 s LEU 13 Ca 0.00 -0.79 -0.30 0.00 -2.89 0.00 0.00 54.13 50.14 2k27 s LEU 13 Cb 0.00 0.38 -0.07 0.00 0.66 0.00 0.00 46.19 47.17 2k27 s LEU 13 CO 0.00 -0.39 1.22 0.21 -1.89 0.00 0.00 176.35 175.50 2k27 s ASN 14 N 2.32 7.05 0.15 3.68 3.04 -1.26 -4.95 114.94 124.98 2k27 s ASN 14 Ca 0.09 2.13 -0.16 0.00 0.04 0.00 0.00 52.86 54.96 2k27 s ASN 14 Cb -0.14 -2.59 0.06 0.00 -1.54 0.00 0.00 41.25 37.04 2k27 s ASN 14 CO -0.32 -0.46 1.75 1.56 -3.04 0.00 0.00 177.10 176.59 2k27 h GLN 15 N 6.28 0.27 -1.84 0.43 4.20 -1.91 -3.49 115.11 119.05 2k27 h GLN 15 Ca -0.43 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.27 2k27 h GLN 15 Cb 1.21 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.93 2k27 h GLN 15 CO 0.80 0.18 -0.45 -0.11 -0.67 0.00 0.00 178.83 178.57 2k27 n LEU 16 N -5.02 -1.50 -1.64 1.46 7.94 -1.25 -4.90 117.00 112.10 2k27 n LEU 16 Ca 0.01 1.50 -0.12 0.00 -1.11 0.00 0.00 56.01 56.29 2k27 n LEU 16 Cb 0.13 -0.99 0.01 0.00 0.53 0.00 0.00 43.42 43.10 2k27 n LEU 16 CO 0.27 0.13 -0.06 0.61 -1.11 0.00 0.00 177.39 177.23 2k27 n GLY 17 N -1.11 -0.05 3.56 -3.96 0.00 -1.26 -4.95 105.19 97.41 2k27 n GLY 17 Ca 0.00 -0.31 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 2k27 n GLY 17 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k27 s GLY 18 N -2.69 1.61 -0.80 -0.02 0.00 -1.26 -4.93 107.32 99.21 2k27 s GLY 18 Ca 0.11 -2.74 -0.26 0.00 0.00 0.00 0.00 44.72 41.83 2k27 s GLY 18 CO 0.13 2.61 2.40 0.00 0.00 0.00 0.00 173.10 178.24 2k27 s ALA 19 N 4.13 0.68 -1.41 3.20 0.00 -1.26 -1.21 121.76 125.89 2k27 s ALA 19 Ca 0.49 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.55 2k27 s ALA 19 Cb 0.02 -4.58 0.04 0.00 0.00 0.00 0.00 23.12 18.59 2k27 s ALA 19 CO 0.00 -5.97 0.83 0.34 0.00 0.00 0.00 175.76 170.96 2k27 n PHE 20 N 18.74 -2.11 0.00 0.00 7.35 -1.26 -4.96 117.46 135.22 2k27 n PHE 20 Ca 0.47 0.87 0.00 0.00 -0.76 0.00 0.00 57.45 58.03 2k27 n PHE 20 Cb 0.43 -4.23 0.00 0.00 0.35 0.00 0.00 39.48 36.04 2k27 n PHE 20 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2k27 n VAL 21 N -4.48 0.00 -3.57 -2.13 0.31 -0.35 -5.16 118.33 102.96 2k27 n VAL 21 Ca -0.14 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.10 2k27 n VAL 21 Cb 0.61 -0.52 -0.04 0.00 -0.91 0.00 0.00 33.84 32.98 2k27 n VAL 21 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2k27 s ASN 22 N 0.21 -0.32 -1.18 4.52 3.84 -1.26 -5.00 114.94 115.75 2k27 s ASN 22 Ca 0.00 0.26 -0.07 0.00 0.21 0.00 0.00 52.86 53.26 2k27 s ASN 22 Cb 0.00 0.28 -0.02 0.00 -0.55 0.00 0.00 41.25 40.96 2k27 s ASN 22 CO 0.00 -0.37 0.82 0.61 -2.79 0.00 0.00 177.10 175.38 2k27 n GLY 23 N 0.44 -0.72 3.03 1.21 0.00 -1.26 -4.36 105.19 103.52 2k27 n GLY 23 Ca -0.08 0.34 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 2k27 n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k27 s ARG 24 N -5.43 1.84 0.16 1.61 1.70 -1.26 -3.74 118.95 113.83 2k27 s ARG 24 Ca 0.25 -2.14 -0.30 0.00 -0.47 0.00 0.00 55.73 53.07 2k27 s ARG 24 Cb -0.06 -3.37 -0.07 0.00 -0.57 0.00 0.00 34.95 30.88 2k27 s ARG 24 CO 0.79 -1.04 1.02 -1.25 -1.08 0.00 0.00 175.30 173.74 2k27 s PRO 25 N 0.53 4.68 -1.05 3.89 0.04 -1.26 -3.87 135.00 137.95 2k27 s PRO 25 Ca 0.13 1.58 -0.18 0.00 0.04 0.00 0.00 61.00 62.56 2k27 s PRO 25 Cb -0.22 -3.32 0.01 0.00 0.04 0.00 0.00 34.50 31.01 2k27 s PRO 25 CO -0.05 0.20 0.72 1.28 0.04 0.00 0.00 177.00 179.19 2k27 n LEU 26 N 2.39 -2.29 -4.56 -3.56 4.77 -1.26 -4.86 117.00 107.63 2k27 n LEU 26 Ca 0.02 -1.00 -0.40 0.00 -0.03 0.00 0.00 56.01 54.60 2k27 n LEU 26 Cb 0.47 -2.10 -0.03 0.00 -2.33 0.00 0.00 43.42 39.43 2k27 n LEU 26 CO 0.52 0.40 1.38 -2.16 -1.33 0.00 0.00 177.39 176.20 2k27 s PRO 27 N -5.88 3.36 0.41 3.23 0.04 -1.25 -4.86 135.00 130.04 2k27 s PRO 27 Ca 0.34 -0.73 0.18 0.00 0.04 0.00 0.00 61.00 60.83 2k27 s PRO 27 Cb -0.15 -4.94 1.08 0.00 0.04 0.00 0.00 34.50 30.53 2k27 s PRO 27 CO 0.89 -2.29 1.83 0.93 0.04 0.00 0.00 177.00 178.40 2k27 h GLU 28 N 10.17 0.40 -1.00 4.56 5.08 -1.95 0.28 114.58 132.11 2k27 h GLU 28 Ca 0.03 -0.02 0.28 0.00 -1.00 0.00 0.00 59.36 58.64 2k27 h GLU 28 Cb 1.03 -0.09 -0.14 0.00 0.50 0.00 0.00 28.75 30.05 2k27 h GLU 28 CO 1.36 0.27 0.59 -0.24 -1.00 0.00 0.00 179.01 179.98 2k27 h VAL 29 N 0.41 0.43 0.49 3.13 3.04 -1.99 -1.37 116.25 120.40 2k27 h VAL 29 Ca 0.50 -0.16 -0.02 0.00 -1.01 0.00 0.00 66.70 66.01 2k27 h VAL 29 Cb 1.24 -0.08 0.00 0.00 -2.01 0.00 0.00 31.29 30.45 2k27 h VAL 29 CO -0.20 0.09 -0.24 0.58 -1.01 0.00 0.00 177.57 176.79 2k27 h VAL 30 N 0.47 0.45 -0.74 1.51 2.07 -1.34 -0.39 116.25 118.28 2k27 h VAL 30 Ca 0.69 -0.33 0.16 0.00 0.82 0.00 0.00 66.70 68.03 2k27 h VAL 30 Cb 1.43 0.59 -0.13 0.00 -1.52 0.00 0.00 31.29 31.66 2k27 h VAL 30 CO -0.53 0.05 -0.05 -0.09 0.02 0.00 0.00 177.57 176.97 2k27 h ARG 31 N -0.88 0.07 -0.39 1.57 1.12 -1.54 -1.60 114.38 112.73 2k27 h ARG 31 Ca -0.07 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.79 2k27 h ARG 31 Cb 0.59 -0.02 -0.02 0.00 -0.01 0.00 0.00 29.97 30.52 2k27 h ARG 31 CO 0.11 0.04 0.19 1.96 -3.11 0.00 0.00 179.97 179.17 2k27 h GLN 32 N 0.07 0.55 0.27 0.20 1.08 -1.07 -1.15 115.11 115.06 2k27 h GLN 32 Ca 0.39 -0.08 0.00 0.00 -1.45 0.00 0.00 58.65 57.52 2k27 h GLN 32 Cb 0.66 -0.10 -0.02 0.00 -0.05 0.00 0.00 27.48 27.96 2k27 h GLN 32 CO -0.68 0.48 -0.31 0.00 -0.95 0.00 0.00 178.83 177.37 2k27 h ARG 33 N 0.49 -0.60 -0.47 1.46 3.08 -0.26 -0.16 114.38 117.92 2k27 h ARG 33 Ca 0.13 0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 2k27 h ARG 33 Cb 0.10 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 2k27 h ARG 33 CO -0.02 -0.40 0.29 0.82 -1.07 0.00 0.00 179.97 179.59 2k27 h ILE 34 N -0.62 1.14 -0.29 2.04 1.08 -1.20 -0.64 117.51 119.01 2k27 h ILE 34 Ca -0.01 -0.31 0.03 0.00 -0.39 0.00 0.00 64.86 64.18 2k27 h ILE 34 Cb 0.58 0.50 -0.03 0.00 -3.07 0.00 0.00 36.82 34.80 2k27 h ILE 34 CO -0.08 0.14 0.10 0.58 -0.69 0.00 0.00 178.15 178.20 2k27 h VAL 35 N 0.63 0.92 0.82 1.67 2.07 -1.14 -0.01 116.25 121.21 2k27 h VAL 35 Ca 0.17 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.58 2k27 h VAL 35 Cb -0.02 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.42 2k27 h VAL 35 CO -0.03 0.04 -0.46 -0.78 0.02 0.00 0.00 177.57 176.35 2k27 h ASP 36 N 0.23 -1.15 -0.74 0.57 3.58 -0.55 -1.13 116.42 117.23 2k27 h ASP 36 Ca 0.13 0.06 0.04 0.00 0.42 0.00 0.00 57.03 57.67 2k27 h ASP 36 Cb 0.10 0.32 -0.04 0.00 1.72 0.00 0.00 39.33 41.43 2k27 h ASP 36 CO -0.13 -0.74 0.49 -0.07 -2.88 0.00 0.00 179.24 175.91 2k27 h LEU 37 N -1.19 0.76 -1.31 2.28 4.07 -1.09 -0.19 115.31 118.65 2k27 h LEU 37 Ca -0.11 -0.01 -0.05 0.00 0.08 0.00 0.00 57.88 57.79 2k27 h LEU 37 Cb 0.94 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.49 2k27 h LEU 37 CO 0.13 0.52 -0.10 0.00 -1.08 0.00 0.00 178.44 177.92 2k27 h ALA 38 N 1.57 1.43 0.88 1.53 0.00 -0.85 -0.47 119.26 123.35 2k27 h ALA 38 Ca 0.30 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2k27 h ALA 38 Cb 0.08 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 17.77 2k27 h ALA 38 CO -0.09 0.40 -0.42 1.25 0.00 0.00 0.00 179.25 180.39 2k27 h HIS 39 N 0.33 -1.10 0.00 0.00 6.17 0.29 -2.75 115.15 118.10 2k27 h HIS 39 Ca 0.07 -0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.12 2k27 h HIS 39 Cb 0.38 0.36 0.00 0.00 2.52 0.00 0.00 27.41 30.67 2k27 h HIS 39 CO 0.01 -0.68 0.00 -0.56 0.71 0.00 0.00 177.93 177.41 2k27 h GLN 40 N -1.28 0.00 -2.57 5.26 -0.00 -1.62 -3.48 115.11 111.42 2k27 h GLN 40 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.53 2k27 h GLN 40 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.39 2k27 h GLN 40 CO 0.20 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.44 2k27 n GLY 41 N 0.24 0.36 3.62 0.06 0.00 -0.37 -5.00 105.19 104.10 2k27 n GLY 41 Ca 0.02 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 2k27 n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k27 s VAL 42 N -2.86 4.18 0.66 1.61 1.01 -0.33 -5.02 120.40 119.66 2k27 s VAL 42 Ca 0.00 1.28 -0.18 0.00 0.00 0.00 0.00 61.98 63.08 2k27 s VAL 42 Cb 0.00 -4.36 -0.00 0.00 0.00 0.00 0.00 36.38 32.02 2k27 s VAL 42 CO 0.00 -0.71 1.28 0.00 0.00 0.00 0.00 175.10 175.67 2k27 s ARG 43 N 4.32 2.49 0.26 2.72 1.70 -1.26 -4.68 118.95 124.50 2k27 s ARG 43 Ca 0.53 2.01 -0.04 0.00 -0.47 0.00 0.00 55.73 57.76 2k27 s ARG 43 Cb -0.12 -1.84 0.35 0.00 -0.57 0.00 0.00 34.95 32.77 2k27 s ARG 43 CO 0.26 -1.63 1.89 -1.00 -1.08 0.00 0.00 175.30 173.74 2k27 h PRO 44 N 0.42 1.15 0.00 3.89 0.13 -1.99 0.49 132.00 136.08 2k27 h PRO 44 Ca -0.50 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 2k27 h PRO 44 Cb 1.33 -0.26 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2k27 h PRO 44 CO 0.53 0.76 0.00 0.00 -0.23 0.00 0.00 178.00 179.06 2k27 n ASP 46 N -1.30 4.10 -0.18 0.00 -0.08 0.03 -4.33 116.55 114.79 2k27 n ASP 46 Ca 0.03 0.00 -0.03 0.00 -1.51 0.00 0.00 54.79 53.28 2k27 n ASP 46 Cb 0.04 0.82 0.07 0.00 2.34 0.00 0.00 41.12 44.39 2k27 n ASP 46 CO 0.00 0.00 0.00 0.40 0.12 0.00 0.00 177.20 177.72 2k27 h ILE 47 N 0.00 0.89 -0.92 5.18 2.04 -0.75 -1.53 117.51 122.43 2k27 h ILE 47 Ca -0.06 -0.16 0.21 0.00 1.00 0.00 0.00 64.86 65.85 2k27 h ILE 47 Cb 0.82 0.39 -0.12 0.00 -0.74 0.00 0.00 36.82 37.17 2k27 h ILE 47 CO 0.00 0.08 0.46 0.77 0.00 0.00 0.00 178.15 179.47 2k27 h SER 48 N 0.46 0.47 0.40 1.72 4.64 -1.65 -2.01 113.55 117.59 2k27 h SER 48 Ca 0.25 0.14 -0.02 0.00 -0.47 0.00 0.00 61.79 61.69 2k27 h SER 48 Cb 0.22 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2k27 h SER 48 CO -0.21 0.08 -0.19 0.03 -0.87 0.00 0.00 176.83 175.66 2k27 h ARG 49 N 0.50 -0.52 -0.84 4.77 3.08 -1.51 -0.99 114.38 118.87 2k27 h ARG 49 Ca 0.56 0.04 0.11 0.00 0.07 0.00 0.00 59.98 60.76 2k27 h ARG 49 Cb 1.02 0.12 -0.08 0.00 0.08 0.00 0.00 29.97 31.11 2k27 h ARG 49 CO -0.48 -0.35 0.48 1.96 -1.07 0.00 0.00 179.97 180.51 2k27 h GLN 50 N -0.80 0.76 0.00 0.04 4.20 -1.15 -2.14 115.11 116.02 2k27 h GLN 50 Ca -0.06 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.61 2k27 h GLN 50 Cb 0.42 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.02 2k27 h GLN 50 CO 0.09 0.50 -0.75 1.28 -0.67 0.00 0.00 178.83 179.28 2k27 n LEU 51 N -4.75 0.64 -3.18 1.46 7.99 -0.77 -5.00 117.00 113.38 2k27 n LEU 51 Ca 0.15 -0.07 -0.08 0.00 -0.01 0.00 0.00 56.01 56.00 2k27 n LEU 51 Cb 0.31 -0.16 0.03 0.00 -0.11 0.00 0.00 43.42 43.49 2k27 n LEU 51 CO 0.26 0.11 0.19 0.54 -1.51 0.00 0.00 177.39 176.97 2k27 n ARG 52 N -1.69 -1.70 -4.24 3.23 3.00 -0.65 -5.06 116.66 109.55 2k27 n ARG 52 Ca 0.04 1.18 -0.15 0.00 -0.01 0.00 0.00 57.85 58.92 2k27 n ARG 52 Cb 0.37 -5.65 -0.10 0.00 0.00 0.00 0.00 32.46 27.09 2k27 n ARG 52 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2k27 s VAL 53 N -3.18 0.06 0.00 1.55 -7.23 -0.47 -5.04 120.40 106.09 2k27 s VAL 53 Ca 0.21 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 2k27 s VAL 53 Cb -0.03 -2.51 0.00 0.00 0.56 0.00 0.00 36.38 34.40 2k27 s VAL 53 CO 0.75 0.00 0.00 -1.20 -0.31 0.00 0.00 175.10 174.34 2k27 n SER 54 N -0.64 0.00 0.00 4.85 7.64 -1.26 -4.57 113.62 119.64 2k27 n SER 54 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.91 2k27 n SER 54 Cb 0.65 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.85 2k27 n SER 54 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k27 n HIS 55 N 0.00 -0.96 -0.33 1.43 1.44 -1.26 -4.61 115.22 110.93 2k27 n HIS 55 Ca 0.00 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.69 2k27 n HIS 55 Cb 0.00 0.26 0.13 0.00 0.12 0.00 0.00 29.99 30.51 2k27 n HIS 55 CO 0.00 0.00 0.00 0.78 -2.81 0.00 0.00 176.34 174.31 2k27 h GLY 56 N 0.00 1.31 0.90 -1.39 0.00 -1.99 -0.56 103.07 101.33 2k27 h GLY 56 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 47.33 46.81 2k27 h GLY 56 CO 0.00 0.52 0.09 0.00 0.00 0.00 0.00 176.54 177.15 2k27 h VAL 58 N 0.20 1.04 -0.30 0.00 2.07 -1.71 0.06 116.25 117.61 2k27 h VAL 58 Ca 0.08 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.38 2k27 h VAL 58 Cb 0.03 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 29.99 2k27 h VAL 58 CO -0.06 0.14 0.10 -1.28 0.02 0.00 0.00 177.57 176.49 2k27 h SER 59 N 0.74 0.12 -0.55 0.57 0.87 -0.83 0.41 113.55 114.88 2k27 h SER 59 Ca 0.27 0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.81 2k27 h SER 59 Cb 0.08 0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 2k27 h SER 59 CO -0.13 0.10 0.13 0.11 -0.53 0.00 0.00 176.83 176.51 2k27 h LYS 60 N 0.24 0.88 0.71 2.24 1.57 -0.92 0.01 116.57 121.30 2k27 h LYS 60 Ca 0.13 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 2k27 h LYS 60 Cb 0.10 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.30 2k27 h LYS 60 CO -0.13 0.83 -0.34 0.82 -0.57 0.00 0.00 179.45 180.05 2k27 h ILE 61 N 0.78 0.00 0.36 1.86 2.04 -0.69 -3.31 117.51 118.55 2k27 h ILE 61 Ca 0.17 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.71 2k27 h ILE 61 Cb 0.35 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.43 2k27 h ILE 61 CO 0.00 0.00 -0.17 0.25 0.00 0.00 0.00 178.15 178.23 2k27 h LEU 62 N -1.25 -0.41 -7.91 1.44 7.12 -1.01 -3.35 115.31 109.94 2k27 h LEU 62 Ca -0.10 -0.12 -0.67 0.00 0.13 0.00 0.00 57.88 57.12 2k27 h LEU 62 Cb 0.73 0.11 -0.11 0.00 -0.53 0.00 0.00 40.66 40.86 2k27 h LEU 62 CO 0.16 -0.11 1.72 -0.83 -0.13 0.00 0.00 178.44 179.26 2k27 s GLY 63 N -2.55 1.72 -0.01 3.75 0.00 -0.01 -4.78 107.32 105.44 2k27 s GLY 63 Ca -0.15 -2.82 -0.22 0.00 0.00 0.00 0.00 44.72 41.53 2k27 s GLY 63 CO 0.56 2.52 1.11 3.21 0.00 0.00 0.00 173.10 180.50 2k27 h ARG 64 N 8.19 0.31 -5.53 2.90 2.47 -1.70 -3.40 114.38 117.62 2k27 h ARG 64 Ca 0.33 -0.29 -0.07 0.00 -1.26 0.00 0.00 59.98 58.69 2k27 h ARG 64 Cb 0.92 0.07 0.00 0.00 -1.65 0.00 0.00 29.97 29.32 2k27 h ARG 64 CO 1.37 0.97 -0.47 0.66 0.56 0.00 0.00 179.97 183.07 2k27 n TYR 65 N -4.39 -3.19 -2.17 3.04 4.01 -1.26 -4.63 117.16 108.57 2k27 n TYR 65 Ca -0.09 1.27 -0.01 0.00 -0.16 0.00 0.00 57.90 58.90 2k27 n TYR 65 Cb 0.55 -3.78 -0.01 0.00 -0.31 0.00 0.00 39.34 35.79 2k27 n TYR 65 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 2k27 n TYR 66 N -0.84 -2.45 -1.57 -0.72 4.01 -1.26 -4.76 117.16 109.57 2k27 n TYR 66 Ca 0.04 1.24 -0.46 0.00 -0.16 0.00 0.00 57.90 58.56 2k27 n TYR 66 Cb 0.51 -2.94 -0.04 0.00 -0.31 0.00 0.00 39.34 36.55 2k27 n TYR 66 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 2k27 n GLU 67 N 0.65 1.78 -3.89 -0.72 0.00 -1.23 -1.09 120.64 116.13 2k27 n GLU 67 Ca -0.10 0.52 -0.26 0.00 0.00 0.00 0.00 57.16 57.32 2k27 n GLU 67 Cb 0.16 -2.95 -0.07 0.00 0.00 0.00 0.00 31.44 28.57 2k27 n GLU 67 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2k27 n THR 68 N 7.24 -0.62 -2.87 6.31 -2.24 -1.26 -1.87 114.28 118.97 2k27 n THR 68 Ca 0.32 -0.31 -0.09 0.00 -2.27 0.00 0.00 64.05 61.69 2k27 n THR 68 Cb 0.37 -0.70 0.04 0.00 -2.10 0.00 0.00 70.33 67.95 2k27 n THR 68 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2k27 n GLY 69 N -1.98 -0.82 0.00 3.38 0.00 -0.25 -4.79 105.19 100.73 2k27 n GLY 69 Ca -0.19 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.23 2k27 n GLY 69 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k27 n SER 70 N -2.61 0.00 -2.96 1.61 3.41 -0.78 -5.03 113.62 107.26 2k27 n SER 70 Ca -0.04 -0.78 -0.09 0.00 -0.26 0.00 0.00 58.87 57.69 2k27 n SER 70 Cb 0.58 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.57 2k27 n SER 70 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2k27 n ILE 71 N 0.00 -8.27 -2.74 -1.33 5.41 -1.26 -3.48 119.36 107.69 2k27 n ILE 71 Ca 0.00 -0.91 -0.08 0.00 1.00 0.00 0.00 62.75 62.76 2k27 n ILE 71 Cb 0.00 -6.15 0.07 0.00 -0.71 0.00 0.00 39.64 32.85 2k27 n ILE 71 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 2k27 n ARG 72 N -2.63 0.79 -2.26 0.38 1.85 -1.26 -4.89 116.66 108.64 2k27 n ARG 72 Ca -0.04 -1.70 -0.37 0.00 -1.00 0.00 0.00 57.85 54.74 2k27 n ARG 72 Cb 0.58 -1.22 -0.03 0.00 -1.05 0.00 0.00 32.46 30.73 2k27 n ARG 72 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2k27 s PRO 73 N 0.51 2.92 -0.29 2.89 0.04 -1.26 -4.87 135.00 134.94 2k27 s PRO 73 Ca 0.28 -0.13 -0.26 0.00 0.04 0.00 0.00 61.00 60.94 2k27 s PRO 73 Cb 0.25 -4.68 0.18 0.00 0.04 0.00 0.00 34.50 30.29 2k27 s PRO 73 CO -0.18 -2.66 1.37 0.20 0.04 0.00 0.00 177.00 175.78 2k27 s GLY 74 N 6.46 0.25 -0.29 0.56 0.00 -1.26 -5.17 107.32 107.88 2k27 s GLY 74 Ca 0.56 3.31 -0.14 0.00 0.00 0.00 0.00 44.72 48.45 2k27 s GLY 74 CO 0.09 1.82 0.77 0.54 0.00 0.00 0.00 173.10 176.31 2k27 s VAL 75 N -0.09 -0.36 0.26 1.40 0.11 -1.26 -5.17 120.40 115.28 2k27 s VAL 75 Ca 0.07 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 58.88 2k27 s VAL 75 Cb -0.04 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.72 2k27 s VAL 75 CO -0.13 0.00 0.84 -0.63 -3.33 0.00 0.00 175.10 171.85 2k27 s ILE 76 N 2.07 4.35 0.16 7.04 1.01 -1.26 -5.07 121.20 129.50 2k27 s ILE 76 Ca -0.08 1.64 -0.24 0.00 0.00 0.00 0.00 60.65 61.96 2k27 s ILE 76 Cb -0.07 -4.00 0.07 0.00 0.01 0.00 0.00 42.46 38.47 2k27 s ILE 76 CO -0.18 0.25 0.98 -0.83 0.00 0.00 0.00 174.94 175.16 2k27 s GLY 77 N -1.53 -0.16 0.00 6.18 0.00 -1.26 -5.20 107.32 105.36 2k27 s GLY 77 Ca 0.45 0.04 0.00 0.00 0.00 0.00 0.00 44.72 45.20 2k27 s GLY 77 CO 0.24 0.42 0.00 0.61 0.00 0.00 0.00 173.10 174.36 2k27 n GLY 78 N -0.51 0.71 3.47 0.20 0.00 -1.26 -5.20 105.19 102.60 2k27 n GLY 78 Ca -0.06 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 2k27 n GLY 78 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k27 s SER 79 N 0.00 -0.50 -0.47 1.61 0.15 -1.26 -5.12 113.70 108.11 2k27 s SER 79 Ca 0.00 -0.05 0.06 0.00 0.70 0.00 0.00 55.95 56.67 2k27 s SER 79 Cb 0.00 0.56 0.23 0.00 -1.71 0.00 0.00 66.02 65.10 2k27 s SER 79 CO 0.00 -0.92 0.76 1.17 1.20 0.00 0.00 173.24 175.45 2k27 n LYS 80 N -0.36 0.70 -2.34 5.44 3.00 -1.26 -5.16 118.16 118.19 2k27 n LYS 80 Ca -0.14 -2.18 -0.30 0.00 -0.00 0.00 0.00 58.31 55.69 2k27 n LYS 80 Cb 0.64 -1.42 -0.00 0.00 0.00 0.00 0.00 35.03 34.24 2k27 n LYS 80 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2k27 s PRO 81 N 0.27 3.63 -1.17 1.64 0.04 -1.26 -5.00 135.00 133.15 2k27 s PRO 81 Ca 0.32 0.52 -0.16 0.00 0.04 0.00 0.00 61.00 61.72 2k27 s PRO 81 Cb 0.18 -2.24 0.13 0.00 0.04 0.00 0.00 34.50 32.61 2k27 s PRO 81 CO -0.19 -0.33 1.46 0.21 0.04 0.00 0.00 177.00 178.19 2k27 s LYS 82 N -4.74 3.94 0.02 4.56 2.47 -1.26 -4.99 119.74 119.74 2k27 s LYS 82 Ca 0.52 -2.18 -0.01 0.00 -1.56 0.00 0.00 55.97 52.74 2k27 s LYS 82 Cb -0.11 -5.18 -0.04 0.00 -1.46 0.00 0.00 37.83 31.04 2k27 s LYS 82 CO 0.45 -1.93 0.17 0.08 0.16 0.00 0.00 175.35 174.29 2k27 s VAL 83 N 2.70 5.28 0.27 4.02 1.01 -1.26 -5.02 120.40 127.40 2k27 s VAL 83 Ca 0.44 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 61.94 2k27 s VAL 83 Cb -0.01 -3.50 0.01 0.00 0.00 0.00 0.00 36.38 32.88 2k27 s VAL 83 CO -0.00 0.26 0.65 0.00 0.00 0.00 0.00 175.10 176.01 2k27 s ALA 84 N -1.37 -0.93 0.23 5.51 0.00 -1.26 -5.11 121.76 118.84 2k27 s ALA 84 Ca 0.29 -0.47 -0.15 0.00 0.00 0.00 0.00 51.96 51.63 2k27 s ALA 84 Cb -0.13 0.92 -0.08 0.00 0.00 0.00 0.00 23.12 23.83 2k27 s ALA 84 CO 0.21 -0.98 0.65 0.95 0.00 0.00 0.00 175.76 176.59 2k27 s THR 85 N -3.95 4.74 -0.31 0.00 -4.23 -1.26 -4.98 115.64 105.65 2k27 s THR 85 Ca 0.14 0.92 0.26 0.00 -1.18 0.00 0.00 61.69 61.84 2k27 s THR 85 Cb -0.04 -3.71 0.29 0.00 1.34 0.00 0.00 72.50 70.37 2k27 s THR 85 CO 0.07 0.05 1.79 1.55 -0.54 0.00 0.00 174.62 177.54 2k27 h PRO 86 N 2.95 0.00 -0.03 3.99 0.13 -2.02 -3.24 132.00 133.78 2k27 h PRO 86 Ca -0.48 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2k27 h PRO 86 Cb 1.18 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k27 h PRO 86 CO 0.66 0.00 0.11 -0.22 -0.23 0.00 0.00 178.00 178.32 2k27 h LYS 87 N 0.00 0.00 -0.63 0.86 3.64 -2.01 -0.92 116.57 117.51 2k27 h LYS 87 Ca 0.00 0.00 0.15 0.00 -1.27 0.00 0.00 60.65 59.53 2k27 h LYS 87 Cb 0.40 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.18 2k27 h LYS 87 CO 0.00 0.00 0.44 0.28 -2.27 0.00 0.00 179.45 177.90 2k27 h VAL 88 N 0.00 0.77 -0.65 2.00 2.07 -1.97 0.86 116.25 119.33 2k27 h VAL 88 Ca 0.01 -0.07 0.01 0.00 0.82 0.00 0.00 66.70 67.47 2k27 h VAL 88 Cb 0.23 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 2k27 h VAL 88 CO -0.00 0.04 0.43 0.58 0.02 0.00 0.00 177.57 178.64 2k27 h VAL 89 N 0.21 1.15 -0.90 2.57 2.07 -1.46 -1.34 116.25 118.56 2k27 h VAL 89 Ca 0.30 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.51 2k27 h VAL 89 Cb 0.90 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2k27 h VAL 89 CO -0.06 0.16 0.49 -0.33 0.02 0.00 0.00 177.57 177.86 2k27 h GLU 90 N 0.87 1.26 -0.53 1.57 5.08 -1.02 -2.37 114.58 119.44 2k27 h GLU 90 Ca 0.24 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2k27 h GLU 90 Cb -0.08 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 28.90 2k27 h GLU 90 CO -0.06 0.92 0.18 0.87 -1.00 0.00 0.00 179.01 179.92 2k27 h LYS 91 N 1.27 0.78 -0.40 2.33 1.57 -0.69 0.53 116.57 121.95 2k27 h LYS 91 Ca 0.32 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2k27 h LYS 91 Cb 0.03 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.19 2k27 h LYS 91 CO -0.05 0.67 0.26 0.82 -0.57 0.00 0.00 179.45 180.57 2k27 h ILE 92 N 0.76 1.11 -0.28 1.86 1.08 -0.91 -0.75 117.51 120.38 2k27 h ILE 92 Ca 0.18 -0.22 0.06 0.00 -0.39 0.00 0.00 64.86 64.49 2k27 h ILE 92 Cb 0.21 0.54 -0.05 0.00 -3.07 0.00 0.00 36.82 34.45 2k27 h ILE 92 CO -0.01 0.11 -0.08 1.23 -0.69 0.00 0.00 178.15 178.71 2k27 h GLY 93 N 0.53 0.19 1.00 5.37 0.00 -0.77 0.24 103.07 109.64 2k27 h GLY 93 Ca 0.14 0.10 0.01 0.00 0.00 0.00 0.00 47.33 47.59 2k27 h GLY 93 CO -0.03 -0.11 0.64 -0.55 0.00 0.00 0.00 176.54 176.48 2k27 h ASP 94 N -0.01 1.10 1.04 0.19 3.32 -0.74 -0.69 116.42 120.62 2k27 h ASP 94 Ca 0.14 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 57.07 2k27 h ASP 94 Cb 0.22 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.48 2k27 h ASP 94 CO -0.30 0.80 -0.42 1.88 -1.72 0.00 0.00 179.24 179.48 2k27 h TYR 95 N 1.30 0.00 -0.17 4.55 -1.99 -0.62 0.15 116.97 120.19 2k27 h TYR 95 Ca 0.35 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.09 2k27 h TYR 95 Cb -0.15 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.57 2k27 h TYR 95 CO -0.00 0.42 0.10 -0.22 -0.00 0.00 0.00 178.16 178.45 2k27 h LYS 96 N 0.00 0.21 -0.82 4.88 1.63 -0.41 -0.45 116.57 121.61 2k27 h LYS 96 Ca -0.00 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 2k27 h LYS 96 Cb 1.05 -0.05 -0.04 0.00 -0.60 0.00 0.00 32.23 32.59 2k27 h LYS 96 CO 0.05 0.14 0.50 0.00 -3.45 0.00 0.00 179.45 176.69 2k27 h ARG 97 N 0.21 1.10 -0.29 1.90 3.08 -0.12 -1.06 114.38 119.21 2k27 h ARG 97 Ca 0.06 -0.10 -0.18 0.00 0.07 0.00 0.00 59.98 59.83 2k27 h ARG 97 Cb -0.01 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.80 2k27 h ARG 97 CO -0.02 0.77 -0.54 -0.56 -1.07 0.00 0.00 179.97 178.55 2k27 h GLN 98 N 1.12 0.86 -2.49 0.04 3.07 -0.71 -3.40 115.11 113.59 2k27 h GLN 98 Ca 0.29 -0.54 -0.56 0.00 0.09 0.00 0.00 58.65 57.94 2k27 h GLN 98 Cb -0.05 0.06 -0.38 0.00 0.08 0.00 0.00 27.48 27.19 2k27 h GLN 98 CO -0.06 1.17 -0.84 1.21 0.09 0.00 0.00 178.83 180.41 2k27 s ASN 99 N -6.95 2.63 0.22 0.06 3.84 -0.18 -5.02 114.94 109.54 2k27 s ASN 99 Ca -0.10 -2.18 0.10 0.00 0.21 0.00 0.00 52.86 50.89 2k27 s ASN 99 Cb 0.10 -0.28 0.10 0.00 -0.55 0.00 0.00 41.25 40.63 2k27 s ASN 99 CO 0.89 -0.29 1.46 1.55 -2.79 0.00 0.00 177.10 177.91 2k27 h PRO 100 N 6.92 0.00 -0.78 0.43 0.13 -1.41 -3.26 132.00 134.03 2k27 h PRO 100 Ca 0.07 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.17 2k27 h PRO 100 Cb 0.98 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.07 2k27 h PRO 100 CO 0.26 0.75 0.35 1.79 -0.23 0.00 0.00 178.00 180.91 2k27 h THR 101 N 0.00 1.25 -2.75 1.56 1.35 -1.95 -3.41 112.91 108.96 2k27 h THR 101 Ca -0.01 -0.74 -0.52 0.00 -0.55 0.00 0.00 66.41 64.59 2k27 h THR 101 Cb 1.41 0.28 0.04 0.00 -1.73 0.00 0.00 68.15 68.16 2k27 h THR 101 CO 0.10 0.31 0.94 -0.04 -0.25 0.00 0.00 175.52 176.57 2k27 s MET 102 N -5.59 4.19 0.85 4.72 -1.94 -1.23 -5.00 119.30 115.30 2k27 s MET 102 Ca -0.12 2.43 -0.13 0.00 -1.71 0.00 0.00 55.69 56.17 2k27 s MET 102 Cb 0.16 -3.20 0.11 0.00 2.01 0.00 0.00 34.83 33.91 2k27 s MET 102 CO 0.83 -0.67 1.19 -0.06 -0.01 0.00 0.00 175.02 176.30 2k27 s PHE 103 N 1.38 2.67 0.20 -0.03 0.08 -1.26 -4.71 117.98 116.32 2k27 s PHE 103 Ca 0.72 0.71 -0.14 0.00 0.12 0.00 0.00 56.93 58.34 2k27 s PHE 103 Cb -0.45 -3.56 0.21 0.00 -0.57 0.00 0.00 43.02 38.66 2k27 s PHE 103 CO 0.32 -2.02 1.64 0.00 -0.10 0.00 0.00 175.22 175.06 2k27 h ALA 104 N -1.23 0.42 0.00 5.36 0.00 -1.95 0.29 119.26 122.16 2k27 h ALA 104 Ca -0.47 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2k27 h ALA 104 Cb 1.32 0.41 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2k27 h ALA 104 CO 0.61 -0.43 0.00 0.11 0.00 0.00 0.00 179.25 179.55 2k27 h TRP 105 N 0.02 0.00 0.00 0.00 0.09 -1.93 -1.85 115.95 112.28 2k27 h TRP 105 Ca 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 58.89 59.26 2k27 h TRP 105 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.68 2k27 h TRP 105 CO -0.45 0.00 -0.02 0.93 0.09 0.00 0.00 178.44 178.99 2k27 h GLU 106 N 0.00 0.01 0.00 0.12 3.07 -1.51 -3.30 114.58 112.97 2k27 h GLU 106 Ca 0.00 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.81 2k27 h GLU 106 Cb 0.74 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.65 2k27 h GLU 106 CO 0.00 0.93 -0.18 0.82 -1.40 0.00 0.00 179.01 179.18 2k27 h ILE 107 N -0.91 0.98 -0.60 3.13 1.08 -0.97 -0.95 117.51 119.26 2k27 h ILE 107 Ca -0.00 -0.64 0.12 0.00 -0.39 0.00 0.00 64.86 63.94 2k27 h ILE 107 Cb 0.94 1.36 -0.09 0.00 -3.07 0.00 0.00 36.82 35.97 2k27 h ILE 107 CO 0.00 0.17 0.12 -0.09 -0.69 0.00 0.00 178.15 177.67 2k27 h ARG 108 N 0.00 0.24 0.00 2.37 2.43 -1.42 -2.05 114.38 115.94 2k27 h ARG 108 Ca -0.00 -0.01 -0.13 0.00 -0.81 0.00 0.00 59.98 59.02 2k27 h ARG 108 Cb 0.35 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.82 2k27 h ARG 108 CO 0.02 0.16 -0.62 -0.44 -1.51 0.00 0.00 179.97 177.58 2k27 h ASP 109 N 0.25 0.00 -0.92 -3.80 3.32 -1.29 -3.26 116.42 110.72 2k27 h ASP 109 Ca 0.32 0.00 0.18 0.00 0.02 0.00 0.00 57.03 57.55 2k27 h ASP 109 Cb 0.48 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 39.95 2k27 h ASP 109 CO -0.41 0.62 0.59 -0.09 -1.72 0.00 0.00 179.24 178.23 2k27 h ARG 110 N 0.00 0.53 -0.05 3.56 9.65 -0.56 0.12 114.38 127.63 2k27 h ARG 110 Ca -0.01 -0.03 -0.01 0.00 -1.10 0.00 0.00 59.98 58.83 2k27 h ARG 110 Cb 1.21 -0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 29.66 2k27 h ARG 110 CO 0.08 0.35 -0.02 -0.07 2.80 0.00 0.00 179.97 183.11 2k27 h LEU 111 N 0.55 0.10 -0.45 3.80 3.38 -1.58 -3.12 115.31 117.99 2k27 h LEU 111 Ca 0.48 -0.41 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 2k27 h LEU 111 Cb 0.99 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2k27 h LEU 111 CO -0.22 0.48 -0.02 -0.07 0.09 0.00 0.00 178.44 178.70 2k27 h LEU 112 N -0.28 0.80 -0.51 1.67 3.38 -1.39 0.83 115.31 119.80 2k27 h LEU 112 Ca 0.01 -0.32 0.03 0.00 0.09 0.00 0.00 57.88 57.70 2k27 h LEU 112 Cb 0.44 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2k27 h LEU 112 CO 0.01 0.93 0.28 0.00 0.09 0.00 0.00 178.44 179.75 2k27 h ALA 113 N 0.90 0.66 0.00 1.53 0.00 -1.13 -1.98 119.26 119.24 2k27 h ALA 113 Ca 0.13 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.91 2k27 h ALA 113 Cb 0.53 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2k27 h ALA 113 CO 0.03 -0.04 -0.60 1.49 0.00 0.00 0.00 179.25 180.13 2k27 h GLU 114 N 0.56 0.00 -1.34 0.00 4.81 -1.45 -3.48 114.58 113.67 2k27 h GLU 114 Ca 0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.45 2k27 h GLU 114 Cb 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 2k27 h GLU 114 CO -0.13 0.60 0.00 0.41 -0.73 0.00 0.00 179.01 179.17 2k27 n GLY 115 N 0.29 0.60 0.13 1.92 0.00 0.15 -5.04 105.19 103.23 2k27 n GLY 115 Ca -0.01 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.43 2k27 n GLY 115 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k27 n VAL 116 N -0.67 1.57 -4.34 1.61 0.31 -0.41 -5.02 118.33 111.39 2k27 n VAL 116 Ca 0.00 -0.38 -0.17 0.00 -0.01 0.00 0.00 64.34 63.78 2k27 n VAL 116 Cb 0.29 -1.80 -0.10 0.00 -0.91 0.00 0.00 33.84 31.32 2k27 n VAL 116 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k27 s ASP 118 N -3.34 6.60 0.58 0.00 2.15 -1.26 -4.67 116.67 116.72 2k27 s ASP 118 Ca 0.37 1.19 0.27 0.00 0.43 0.00 0.00 52.55 54.81 2k27 s ASP 118 Cb 0.07 -2.34 1.61 0.00 -0.30 0.00 0.00 42.92 41.96 2k27 s ASP 118 CO 0.14 -0.34 2.12 -0.55 -0.17 0.00 0.00 175.17 176.37 2k27 h ASN 119 N 1.55 0.00 0.02 -0.34 7.08 -2.00 -0.74 115.58 121.16 2k27 h ASN 119 Ca -0.47 0.00 -0.06 0.00 -3.08 0.00 0.00 56.30 52.69 2k27 h ASN 119 Cb 1.18 0.00 -0.00 0.00 -2.08 0.00 0.00 38.32 37.42 2k27 h ASN 119 CO 0.64 0.00 -0.27 -0.78 -2.08 0.00 0.00 177.43 174.94 2k27 h ASP 120 N 0.00 0.07 0.90 6.14 1.82 -2.03 -3.39 116.42 119.93 2k27 h ASP 120 Ca 0.08 -0.94 -0.07 0.00 -0.39 0.00 0.00 57.03 55.72 2k27 h ASP 120 Cb 0.42 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.40 2k27 h ASP 120 CO -0.00 1.12 -0.31 0.71 -1.61 0.00 0.00 179.24 179.15 2k27 h THR 121 N -0.90 0.74 -2.07 2.25 1.35 -1.71 -3.44 112.91 109.12 2k27 h THR 121 Ca -0.06 -1.36 -0.62 0.00 -0.55 0.00 0.00 66.41 63.82 2k27 h THR 121 Cb 1.13 1.87 0.06 0.00 -1.73 0.00 0.00 68.15 69.48 2k27 h THR 121 CO -0.00 0.31 0.68 0.55 -0.25 0.00 0.00 175.52 176.81 2k27 n VAL 122 N -3.47 0.00 -1.93 6.82 3.14 -0.37 -4.91 118.33 117.61 2k27 n VAL 122 Ca -0.00 -0.00 -0.32 0.00 -2.96 0.00 0.00 64.34 61.06 2k27 n VAL 122 Cb 0.48 -1.30 0.02 0.00 -1.06 0.00 0.00 33.84 31.98 2k27 n VAL 122 CO 0.00 0.00 0.00 -2.16 -6.46 0.00 0.00 176.83 168.21 2k27 s PRO 123 N 0.79 3.20 0.30 1.45 0.04 -1.26 -4.98 135.00 134.54 2k27 s PRO 123 Ca 0.81 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 62.72 2k27 s PRO 123 Cb -0.77 -2.02 -0.12 0.00 0.04 0.00 0.00 34.50 31.63 2k27 s PRO 123 CO 0.41 -0.91 1.49 0.43 0.04 0.00 0.00 177.00 178.46 2k27 n SER 124 N -2.27 3.43 -0.36 6.66 7.64 -1.26 -4.90 113.62 122.56 2k27 n SER 124 Ca 0.09 1.17 0.06 0.00 1.01 0.00 0.00 58.87 61.19 2k27 n SER 124 Cb 0.53 -1.54 0.22 0.00 -1.01 0.00 0.00 64.21 62.40 2k27 n SER 124 CO 0.00 0.00 0.00 1.62 -3.01 0.00 0.00 175.04 173.65 2k27 h VAL 125 N 3.09 0.98 0.00 0.44 3.04 -1.93 -1.32 116.25 120.55 2k27 h VAL 125 Ca -0.47 -0.36 -0.07 0.00 -1.01 0.00 0.00 66.70 64.78 2k27 h VAL 125 Cb 1.25 -0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 30.35 2k27 h VAL 125 CO 0.73 0.19 -0.35 0.77 -1.01 0.00 0.00 177.57 177.91 2k27 h SER 126 N 1.06 0.00 0.02 3.17 4.64 -2.00 -3.02 113.55 117.42 2k27 h SER 126 Ca 0.47 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.79 2k27 h SER 126 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2k27 h SER 126 CO -0.23 0.35 -0.01 0.28 -0.87 0.00 0.00 176.83 176.35 2k27 h SER 127 N 0.00 -0.02 -0.62 4.97 0.02 -1.64 -3.33 113.55 112.93 2k27 h SER 127 Ca -0.00 -0.71 0.12 0.00 -0.84 0.00 0.00 61.79 60.36 2k27 h SER 127 Cb 0.62 0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.13 2k27 h SER 127 CO 0.04 0.80 0.42 0.16 -1.14 0.00 0.00 176.83 177.12 2k27 h ILE 128 N -0.95 0.84 -0.84 3.27 3.07 -1.46 -1.49 117.51 119.95 2k27 h ILE 128 Ca -0.00 -0.11 0.18 0.00 1.55 0.00 0.00 64.86 66.47 2k27 h ILE 128 Cb 0.72 0.48 -0.11 0.00 -0.27 0.00 0.00 36.82 37.64 2k27 h ILE 128 CO 0.00 0.06 0.36 -1.13 -1.05 0.00 0.00 178.15 176.40 2k27 h ASN 129 N 0.33 0.34 0.16 2.16 -0.73 -1.63 -2.38 115.58 113.83 2k27 h ASN 129 Ca 0.30 0.13 -0.01 0.00 1.87 0.00 0.00 56.30 58.58 2k27 h ASN 129 Cb 0.71 0.10 -0.00 0.00 0.27 0.00 0.00 38.32 39.40 2k27 h ASN 129 CO -0.08 0.08 -0.05 0.08 -0.37 0.00 0.00 177.43 177.10 2k27 h ARG 130 N 0.46 0.00 -0.00 6.67 0.11 -1.41 -1.99 114.38 118.22 2k27 h ARG 130 Ca 0.49 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.56 2k27 h ARG 130 Cb 0.82 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.90 2k27 h ARG 130 CO -0.46 0.05 -0.04 0.82 0.10 0.00 0.00 179.97 180.44 2k27 h ILE 131 N 0.00 1.60 -0.52 0.08 5.03 -1.58 -3.37 117.51 118.75 2k27 h ILE 131 Ca -0.00 -1.83 0.10 0.00 -0.12 0.00 0.00 64.86 63.01 2k27 h ILE 131 Cb 0.14 2.83 -0.11 0.00 -3.03 0.00 0.00 36.82 36.65 2k27 h ILE 131 CO 0.01 0.48 -0.29 0.40 -0.68 0.00 0.00 178.15 178.07 2k27 h ILE 132 N -0.72 0.25 -0.94 -0.67 2.04 -1.34 -2.25 117.51 113.88 2k27 h ILE 132 Ca -0.01 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.03 2k27 h ILE 132 Cb 0.81 0.25 -0.08 0.00 -0.74 0.00 0.00 36.82 37.05 2k27 h ILE 132 CO 0.01 0.00 0.60 0.08 0.00 0.00 0.00 178.15 178.84 2k27 h ARG 133 N -0.16 0.62 0.00 2.37 0.11 -1.69 -0.58 114.38 115.05 2k27 h ARG 133 Ca 0.23 -0.04 -0.01 0.00 0.10 0.00 0.00 59.98 60.26 2k27 h ARG 133 Cb 0.52 -0.14 -0.00 0.00 1.11 0.00 0.00 29.97 31.46 2k27 h ARG 133 CO -0.61 0.41 -0.04 1.79 0.10 0.00 0.00 179.97 181.61 2k27 h THR 134 N 0.64 0.51 0.03 0.08 1.35 -1.58 -2.50 112.91 111.44 2k27 h THR 134 Ca 0.50 -0.20 -0.21 0.00 -0.55 0.00 0.00 66.41 65.95 2k27 h THR 134 Cb 0.92 1.13 -0.02 0.00 -1.73 0.00 0.00 68.15 68.45 2k27 h THR 134 CO -0.26 0.04 -1.15 0.11 -0.25 0.00 0.00 175.52 174.01 2k27 h LYS 135 N 0.00 0.06 -2.71 4.72 6.56 -1.25 -3.45 116.57 120.50 2k27 h LYS 135 Ca -0.00 -0.10 -0.57 0.00 -1.06 0.00 0.00 60.65 58.92 2k27 h LYS 135 Cb 0.13 0.04 -0.39 0.00 -0.57 0.00 0.00 32.23 31.43 2k27 h LYS 135 CO 0.01 1.05 -0.82 0.08 -2.06 0.00 0.00 179.45 177.70 2k27 s VAL 136 N -2.37 0.23 0.18 0.50 1.01 -0.80 -5.11 120.40 114.03 2k27 s VAL 136 Ca -0.26 -1.54 -0.05 0.00 0.00 0.00 0.00 61.98 60.14 2k27 s VAL 136 Cb 0.04 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 2k27 s VAL 136 CO 0.65 -0.91 0.20 0.00 0.00 0.00 0.00 175.10 175.04 2k27 s GLN 137 N 1.28 1.16 -0.03 2.72 1.03 -0.97 -4.27 119.66 120.58 2k27 s GLN 137 Ca 0.15 -1.39 0.06 0.00 0.04 0.00 0.00 55.36 54.22 2k27 s GLN 137 Cb -0.21 0.32 -0.02 0.00 0.03 0.00 0.00 33.01 33.12 2k27 s GLN 137 CO -0.09 -0.40 -0.19 -0.65 -2.54 0.00 0.00 175.29 171.42 2k27 s GLN 138 N -4.05 2.30 0.27 9.60 -1.52 -1.26 -5.08 119.66 119.91 2k27 s GLN 138 Ca 0.26 -0.82 -0.30 0.00 -1.95 0.00 0.00 55.36 52.55 2k27 s GLN 138 Cb 0.05 -2.23 -0.10 0.00 -0.22 0.00 0.00 33.01 30.51 2k27 s GLN 138 CO 0.05 0.59 1.40 -1.25 -0.25 0.00 0.00 175.29 175.83 2k27 s PRO 139 N -0.79 4.29 -1.40 2.91 0.04 -1.26 -4.88 135.00 133.91 2k27 s PRO 139 Ca 0.11 2.28 -0.11 0.00 0.04 0.00 0.00 61.00 63.32 2k27 s PRO 139 Cb -0.10 -3.10 0.08 0.00 0.04 0.00 0.00 34.50 31.41 2k27 s PRO 139 CO 0.01 -0.36 2.21 1.19 0.04 0.00 0.00 177.00 180.08 2k27 n PHE 140 N 1.93 3.09 -3.56 0.56 3.72 -1.26 -4.81 117.46 117.13 2k27 n PHE 140 Ca 0.05 -2.91 -0.14 0.00 -0.05 0.00 0.00 57.45 54.40 2k27 n PHE 140 Cb 0.41 -2.26 -0.06 0.00 -0.94 0.00 0.00 39.48 36.62 2k27 n PHE 140 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2k27 s ASN 141 N 1.96 -0.55 -0.49 4.37 6.03 -1.26 -5.12 114.94 119.88 2k27 s ASN 141 Ca 0.48 0.69 0.06 0.00 -1.03 0.00 0.00 52.86 53.06 2k27 s ASN 141 Cb 0.13 0.58 0.18 0.00 -3.03 0.00 0.00 41.25 39.11 2k27 s ASN 141 CO -0.05 -0.44 0.62 -0.11 -2.03 0.00 0.00 177.10 175.08 2k27 n LEU 142 N 1.13 -2.59 -4.79 3.54 7.94 -1.26 -5.15 117.00 115.81 2k27 n LEU 142 Ca -0.15 -3.35 -0.34 0.00 -1.11 0.00 0.00 56.01 51.06 2k27 n LEU 142 Cb 0.57 0.70 -0.04 0.00 0.53 0.00 0.00 43.42 45.18 2k27 n LEU 142 CO 0.17 1.92 0.72 -2.16 -1.11 0.00 0.00 177.39 176.93 2k27 s PRO 143 N 0.63 3.88 0.11 1.96 0.04 -1.26 -5.06 135.00 135.30 2k27 s PRO 143 Ca 0.31 1.39 -0.25 0.00 0.04 0.00 0.00 61.00 62.48 2k27 s PRO 143 Cb 0.01 -2.19 0.08 0.00 0.04 0.00 0.00 34.50 32.44 2k27 s PRO 143 CO -0.09 -0.37 0.78 0.00 0.04 0.00 0.00 177.00 177.36 2k27 s MET 144 N -3.08 1.15 0.18 4.56 0.23 -1.26 -5.15 119.30 115.93 2k27 s MET 144 Ca 0.65 -0.49 -0.30 0.00 -1.03 0.00 0.00 55.69 54.52 2k27 s MET 144 Cb -0.17 0.48 -0.08 0.00 -1.53 0.00 0.00 34.83 33.53 2k27 s MET 144 CO 0.21 -0.51 1.27 0.34 -2.03 0.00 0.00 175.02 174.30 2k27 s ASP 145 N -2.70 6.97 0.10 -1.18 2.15 -1.26 -5.02 116.67 115.74 2k27 s ASP 145 Ca 0.05 2.32 -0.26 0.00 0.43 0.00 0.00 52.55 55.10 2k27 s ASP 145 Cb -0.02 -2.61 0.08 0.00 -0.30 0.00 0.00 42.92 40.07 2k27 s ASP 145 CO -0.07 -0.48 0.84 -0.55 -0.17 0.00 0.00 175.17 174.74 2k27 s SER 146 N 0.33 -0.34 -0.65 -0.34 0.15 -1.26 -5.05 113.70 106.55 2k27 s SER 146 Ca 0.56 -0.19 -0.03 0.00 0.70 0.00 0.00 55.95 56.99 2k27 s SER 146 Cb -0.35 0.49 -0.04 0.00 -1.71 0.00 0.00 66.02 64.42 2k27 s SER 146 CO 0.37 -0.85 0.58 0.61 1.20 0.00 0.00 173.24 175.15 2k27 n GLY 147 N -0.36 -0.54 2.48 9.45 0.00 -1.26 -5.02 105.19 109.93 2k27 n GLY 147 Ca -0.09 0.28 -0.27 0.00 0.00 0.00 0.00 46.02 45.95 2k27 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k27 n ALA 148 N -2.42 3.50 -1.66 4.61 0.00 -1.26 -5.11 120.51 118.16 2k27 n ALA 148 Ca -0.04 -4.30 -0.29 0.00 0.00 0.00 0.00 53.44 48.81 2k27 n ALA 148 Cb 0.56 -0.90 0.15 0.00 0.00 0.00 0.00 19.45 19.26 2k27 n ALA 148 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2k27 s PRO 149 N -1.78 1.00 -0.04 0.00 0.04 -1.26 -5.09 135.00 127.87 2k27 s PRO 149 Ca 0.35 0.07 -0.29 0.00 0.04 0.00 0.00 61.00 61.17 2k27 s PRO 149 Cb 0.10 -1.84 0.10 0.00 0.04 0.00 0.00 34.50 32.90 2k27 s PRO 149 CO -0.08 -2.25 1.31 0.20 0.04 0.00 0.00 177.00 176.22 2k27 s GLY 150 N -4.32 -0.16 -0.11 0.56 0.00 -1.26 -5.20 107.32 96.83 2k27 s GLY 150 Ca 0.66 0.10 -0.33 0.00 0.00 0.00 0.00 44.72 45.15 2k27 s GLY 150 CO 0.52 5.83 1.27 -0.32 0.00 0.00 0.00 173.10 180.41 2k27 s GLY 151 N -3.83 -0.36 0.00 0.20 0.00 -1.26 -5.14 107.32 96.94 2k27 s GLY 151 Ca 0.30 1.14 0.00 0.00 0.00 0.00 0.00 44.72 46.16 2k27 s GLY 151 CO -0.02 0.32 0.00 0.61 0.00 0.00 0.00 173.10 174.01 2k27 n GLY 152 N -0.30 -1.40 2.92 0.20 0.00 -1.26 -5.13 105.19 100.21 2k27 n GLY 152 Ca -0.04 0.77 -0.10 0.00 0.00 0.00 0.00 46.02 46.65 2k27 n GLY 152 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k27 s SER 153 N 0.00 0.03 -0.01 1.61 0.01 -1.26 -5.14 113.70 108.94 2k27 s SER 153 Ca 0.00 -1.36 0.00 0.00 1.31 0.00 0.00 55.95 55.90 2k27 s SER 153 Cb 0.00 1.12 0.02 0.00 0.21 0.00 0.00 66.02 67.37 2k27 s SER 153 CO 0.00 -0.21 0.01 -1.00 0.41 0.00 0.00 173.24 172.45 2k27 s HIS 154 N 1.49 0.05 0.11 2.43 3.76 -1.26 -5.16 115.29 116.71 2k27 s HIS 154 Ca 0.18 0.06 -0.07 0.00 -0.15 0.00 0.00 55.06 55.08 2k27 s HIS 154 Cb -0.10 -0.15 -0.01 0.00 1.11 0.00 0.00 32.58 33.43 2k27 s HIS 154 CO -0.05 -0.05 0.16 -1.01 -0.85 0.00 0.00 174.74 172.95 2k27 s HIS 155 N 0.56 0.36 -0.06 1.40 3.76 -1.26 -5.18 115.29 114.87 2k27 s HIS 155 Ca -0.05 -0.78 -0.24 0.00 -0.15 0.00 0.00 55.06 53.84 2k27 s HIS 155 Cb -0.07 -0.16 0.05 0.00 1.11 0.00 0.00 32.58 33.51 2k27 s HIS 155 CO -0.01 -0.56 0.54 -1.58 -0.85 0.00 0.00 174.74 172.28 2k27 s HIS 156 N -3.92 -0.50 0.04 1.40 5.04 -1.26 -5.19 115.29 110.91 2k27 s HIS 156 Ca 0.11 0.89 -0.04 0.00 -1.54 0.00 0.00 55.06 54.48 2k27 s HIS 156 Cb 0.05 0.28 -0.02 0.00 0.04 0.00 0.00 32.58 32.94 2k27 s HIS 156 CO -0.06 -0.50 0.06 -1.01 -2.34 0.00 0.00 174.74 170.89 2k27 s HIS 157 N -1.05 0.26 0.17 3.88 3.76 -1.26 -5.17 115.29 115.88 2k27 s HIS 157 Ca -0.11 -0.60 -0.24 0.00 -0.15 0.00 0.00 55.06 53.96 2k27 s HIS 157 Cb -0.02 -0.19 0.06 0.00 1.11 0.00 0.00 32.58 33.54 2k27 s HIS 157 CO 0.07 -0.35 0.93 -3.38 -0.85 0.00 0.00 174.74 171.16 2k27 s HIS 158 N -2.71 -0.13 -2.45 1.40 -3.43 -1.26 -5.39 115.29 101.32 2k27 s HIS 158 Ca -0.04 -0.20 0.28 0.00 -0.80 0.00 0.00 55.06 54.30 2k27 s HIS 158 Cb -0.01 0.65 1.13 0.00 -1.43 0.00 0.00 32.58 32.93 2k27 s HIS 158 CO -0.05 -0.88 1.79 0.72 -2.00 0.00 0.00 174.74 174.32