#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 3.19 -0.42 0.03 0.04 -1.26 -5.02 135.00 131.57 2k27 s PRO 2 Ca 0.00 1.40 0.06 0.00 0.04 0.00 0.00 61.00 62.50 2k27 s PRO 2 Cb 0.00 -2.00 0.21 0.00 0.04 0.00 0.00 34.50 32.75 2k27 s PRO 2 CO 0.00 -0.94 0.45 0.72 0.04 0.00 0.00 177.00 177.27 2k27 n HIS 3 N -1.85 -0.40 -2.17 0.56 8.25 -1.26 -5.12 115.22 113.23 2k27 n HIS 3 Ca 0.10 -3.48 -0.41 0.00 -0.26 0.00 0.00 57.72 53.67 2k27 n HIS 3 Cb 0.52 -0.09 -0.03 0.00 1.12 0.00 0.00 29.99 31.52 2k27 n HIS 3 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2k27 s ASN 4 N -0.67 6.85 -1.18 0.41 0.01 -1.26 -4.93 114.94 114.17 2k27 s ASN 4 Ca 0.34 2.52 -0.18 0.00 -0.71 0.00 0.00 52.86 54.83 2k27 s ASN 4 Cb 0.10 -2.63 0.09 0.00 0.41 0.00 0.00 41.25 39.23 2k27 s ASN 4 CO -0.15 -0.53 1.55 -0.55 -1.51 0.00 0.00 177.10 175.91 2k27 s SER 5 N -0.01 6.78 0.06 -1.22 0.15 -1.26 -4.98 113.70 113.22 2k27 s SER 5 Ca 0.54 -2.27 -0.31 0.00 0.70 0.00 0.00 55.95 54.61 2k27 s SER 5 Cb -0.38 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 61.35 2k27 s SER 5 CO 0.44 -1.16 1.19 -0.63 1.20 0.00 0.00 173.24 174.28 2k27 s ILE 6 N 3.72 4.07 0.05 6.45 1.09 -1.26 -5.04 121.20 130.28 2k27 s ILE 6 Ca 0.48 1.48 0.02 0.00 -1.10 0.00 0.00 60.65 61.53 2k27 s ILE 6 Cb 0.01 -3.95 -0.03 0.00 -1.06 0.00 0.00 42.46 37.43 2k27 s ILE 6 CO 0.00 0.11 -0.07 -0.13 -0.10 0.00 0.00 174.94 174.75 2k27 s ARG 7 N 1.09 0.58 0.31 2.79 0.52 -1.26 -5.14 118.95 117.84 2k27 s ARG 7 Ca 0.58 -0.87 -0.29 0.00 -0.52 0.00 0.00 55.73 54.64 2k27 s ARG 7 Cb -0.29 -0.24 -0.10 0.00 0.52 0.00 0.00 34.95 34.84 2k27 s ARG 7 CO 0.29 0.03 1.26 -1.12 0.02 0.00 0.00 175.30 175.78 2k27 s SER 8 N -1.87 6.89 1.00 0.23 0.01 -1.26 -5.05 113.70 113.65 2k27 s SER 8 Ca -0.06 2.58 -0.16 0.00 1.31 0.00 0.00 55.95 59.62 2k27 s SER 8 Cb -0.07 -2.64 0.20 0.00 0.21 0.00 0.00 66.02 63.72 2k27 s SER 8 CO -0.01 -0.45 1.22 -0.83 0.41 0.00 0.00 173.24 173.58 2k27 s GLY 9 N -0.49 1.68 0.01 3.44 0.00 -1.26 -5.11 107.32 105.57 2k27 s GLY 9 Ca 0.49 -0.96 -0.28 0.00 0.00 0.00 0.00 44.72 43.96 2k27 s GLY 9 CO 0.49 -0.23 0.77 -2.38 0.00 0.00 0.00 173.10 171.76 2k27 s HIS 10 N -3.52 -0.48 -1.79 1.90 -3.43 -1.26 -5.18 115.29 101.53 2k27 s HIS 10 Ca 0.70 0.53 0.00 0.00 -0.80 0.00 0.00 55.06 55.50 2k27 s HIS 10 Cb -0.08 0.50 0.00 0.00 -1.43 0.00 0.00 32.58 31.57 2k27 s HIS 10 CO 0.54 -0.61 0.00 0.41 -2.00 0.00 0.00 174.74 173.07 2k27 n GLY 11 N 0.15 -1.32 3.58 -1.38 0.00 -1.26 -5.19 105.19 99.77 2k27 n GLY 11 Ca -0.14 -0.96 -0.07 0.00 0.00 0.00 0.00 46.02 44.85 2k27 n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k27 s GLY 12 N 0.00 -0.26 0.04 -0.02 0.00 -1.26 -5.16 107.32 100.66 2k27 s GLY 12 Ca 0.00 1.81 -0.20 0.00 0.00 0.00 0.00 44.72 46.33 2k27 s GLY 12 CO 0.00 0.75 0.59 1.08 0.00 0.00 0.00 173.10 175.52 2k27 s LEU 13 N -1.70 4.48 -0.47 0.66 1.43 -1.26 -5.05 118.68 116.77 2k27 s LEU 13 Ca 0.05 1.24 -0.21 0.00 -1.03 0.00 0.00 54.13 54.17 2k27 s LEU 13 Cb -0.01 -2.93 0.04 0.00 0.03 0.00 0.00 46.19 43.32 2k27 s LEU 13 CO -0.04 0.19 0.67 0.21 0.23 0.00 0.00 176.35 177.62 2k27 s ASN 14 N -0.69 6.29 0.36 2.29 2.47 -1.26 -5.05 114.94 119.35 2k27 s ASN 14 Ca 0.30 -0.53 -0.27 0.00 0.42 0.00 0.00 52.86 52.79 2k27 s ASN 14 Cb -0.19 -2.32 -0.09 0.00 -1.45 0.00 0.00 41.25 37.19 2k27 s ASN 14 CO 0.19 -0.87 1.20 -1.10 -3.72 0.00 0.00 177.10 172.79 2k27 s GLN 15 N 2.89 4.22 -0.28 0.43 1.11 -1.26 -5.03 119.66 121.75 2k27 s GLN 15 Ca 0.21 1.94 0.01 0.00 0.01 0.00 0.00 55.36 57.53 2k27 s GLN 15 Cb -0.16 -2.86 0.15 0.00 -1.01 0.00 0.00 33.01 29.14 2k27 s GLN 15 CO 0.17 -0.20 0.40 -1.17 0.01 0.00 0.00 175.29 174.49 2k27 s LEU 16 N -2.14 -0.73 0.99 2.90 0.20 -1.26 -5.16 118.68 113.48 2k27 s LEU 16 Ca 0.53 -0.28 -0.16 0.00 0.69 0.00 0.00 54.13 54.90 2k27 s LEU 16 Cb -0.33 1.08 0.20 0.00 -0.43 0.00 0.00 46.19 46.71 2k27 s LEU 16 CO 0.43 -0.35 1.27 -0.83 -0.29 0.00 0.00 176.35 176.59 2k27 s GLY 17 N 2.54 1.73 0.06 7.98 0.00 -1.26 -5.11 107.32 113.26 2k27 s GLY 17 Ca 0.10 -1.10 -0.27 0.00 0.00 0.00 0.00 44.72 43.45 2k27 s GLY 17 CO -0.28 -0.34 1.19 -0.32 0.00 0.00 0.00 173.10 173.35 2k27 s GLY 18 N -4.68 -0.12 0.28 0.20 0.00 -1.26 -5.17 107.32 96.58 2k27 s GLY 18 Ca 0.72 0.07 0.00 0.00 0.00 0.00 0.00 44.72 45.51 2k27 s GLY 18 CO 0.53 3.02 0.00 0.00 0.00 0.00 0.00 173.10 176.66 2k27 n ALA 19 N -0.72 -1.70 -3.64 3.20 0.00 -1.26 -4.89 120.51 111.49 2k27 n ALA 19 Ca -0.02 0.24 -0.22 0.00 0.00 0.00 0.00 53.44 53.45 2k27 n ALA 19 Cb 0.60 -0.99 0.04 0.00 0.00 0.00 0.00 19.45 19.10 2k27 n ALA 19 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2k27 n PHE 20 N -1.03 -1.98 -3.96 0.00 7.35 -1.26 -5.00 117.46 111.58 2k27 n PHE 20 Ca 0.00 0.81 -0.35 0.00 -0.76 0.00 0.00 57.45 57.14 2k27 n PHE 20 Cb 0.02 -4.32 -0.06 0.00 0.35 0.00 0.00 39.48 35.47 2k27 n PHE 20 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 2k27 s VAL 21 N -3.60 5.27 -1.07 -2.13 1.01 -1.26 -5.02 120.40 113.60 2k27 s VAL 21 Ca 0.09 -0.01 -0.23 0.00 0.00 0.00 0.00 61.98 61.83 2k27 s VAL 21 Cb -0.02 -3.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 2k27 s VAL 21 CO 0.81 0.51 1.90 0.21 0.00 0.00 0.00 175.10 178.52 2k27 s ASN 22 N -1.34 5.28 0.00 3.32 2.47 -1.26 -1.72 114.94 121.69 2k27 s ASN 22 Ca 0.19 -1.29 0.00 0.00 0.42 0.00 0.00 52.86 52.18 2k27 s ASN 22 Cb -0.12 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.10 2k27 s ASN 22 CO 0.09 -2.73 0.00 0.61 -3.72 0.00 0.00 177.10 171.35 2k27 n GLY 23 N 6.28 2.41 3.75 1.21 0.00 -1.26 -5.12 105.19 112.45 2k27 n GLY 23 Ca 0.42 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 2k27 n GLY 23 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k27 s ARG 24 N 0.00 4.28 0.13 1.61 3.52 -0.70 -5.00 118.95 122.80 2k27 s ARG 24 Ca 0.00 2.29 -0.30 0.00 -0.13 0.00 0.00 55.73 57.59 2k27 s ARG 24 Cb 0.00 -3.11 -0.07 0.00 -1.56 0.00 0.00 34.95 30.21 2k27 s ARG 24 CO 0.00 -0.40 1.12 -1.25 -0.81 0.00 0.00 175.30 173.96 2k27 s PRO 25 N -0.44 4.55 -0.65 5.12 0.04 -1.26 -4.70 135.00 137.65 2k27 s PRO 25 Ca 0.59 1.71 -0.03 0.00 0.04 0.00 0.00 61.00 63.31 2k27 s PRO 25 Cb -0.42 -3.31 0.17 0.00 0.04 0.00 0.00 34.50 30.98 2k27 s PRO 25 CO 0.44 -0.02 0.47 -0.51 0.04 0.00 0.00 177.00 177.41 2k27 s LEU 26 N 0.11 5.26 0.00 -3.56 2.01 -1.26 -5.04 118.68 116.20 2k27 s LEU 26 Ca 0.52 -2.93 0.00 0.00 0.01 0.00 0.00 54.13 51.73 2k27 s LEU 26 Cb -0.29 -1.86 0.00 0.00 0.01 0.00 0.00 46.19 44.05 2k27 s LEU 26 CO 0.33 -0.35 0.00 -0.81 1.01 0.00 0.00 176.35 176.53 2k27 n PRO 27 N 3.38 0.94 -0.13 1.29 -0.04 -1.26 -4.72 135.00 134.47 2k27 n PRO 27 Ca 0.09 0.00 0.28 0.00 -0.04 0.00 0.00 63.50 63.83 2k27 n PRO 27 Cb 0.38 0.00 0.67 0.00 -0.04 0.00 0.00 33.50 34.50 2k27 n PRO 27 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2k27 h GLU 28 N 0.00 0.00 -0.60 0.54 3.07 -2.03 -1.03 114.58 114.54 2k27 h GLU 28 Ca 0.00 0.00 0.17 0.00 -0.50 0.00 0.00 59.36 59.03 2k27 h GLU 28 Cb 0.00 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.89 2k27 h GLU 28 CO 0.00 0.00 0.61 -0.24 -1.40 0.00 0.00 179.01 177.98 2k27 h VAL 29 N 0.00 0.32 -0.77 3.13 3.04 -2.00 -1.82 116.25 118.14 2k27 h VAL 29 Ca 0.40 0.00 0.22 0.00 -1.01 0.00 0.00 66.70 66.31 2k27 h VAL 29 Cb 1.99 0.52 -0.03 0.00 -2.01 0.00 0.00 31.29 31.76 2k27 h VAL 29 CO -0.00 0.00 0.56 1.62 -1.01 0.00 0.00 177.57 178.73 2k27 h VAL 30 N 0.00 0.62 -0.94 1.51 3.04 -1.47 -0.73 116.25 118.28 2k27 h VAL 30 Ca 0.28 -0.00 0.26 0.00 -1.01 0.00 0.00 66.70 66.23 2k27 h VAL 30 Cb 1.50 0.61 -0.14 0.00 -2.01 0.00 0.00 31.29 31.25 2k27 h VAL 30 CO -0.00 0.00 0.42 0.08 -1.01 0.00 0.00 177.57 177.06 2k27 h ARG 31 N 0.01 0.31 -0.87 4.17 0.11 -1.59 0.11 114.38 116.64 2k27 h ARG 31 Ca 0.37 -0.02 -0.01 0.00 0.10 0.00 0.00 59.98 60.42 2k27 h ARG 31 Cb 1.46 -0.07 -0.04 0.00 1.11 0.00 0.00 29.97 32.43 2k27 h ARG 31 CO -0.01 0.21 0.52 1.96 0.10 0.00 0.00 179.97 182.75 2k27 h GLN 32 N 0.32 1.18 -0.37 0.08 1.08 -1.37 -0.40 115.11 115.63 2k27 h GLN 32 Ca 0.63 -0.11 -0.15 0.00 -1.45 0.00 0.00 58.65 57.57 2k27 h GLN 32 Cb 1.31 -0.25 -0.01 0.00 -0.05 0.00 0.00 27.48 28.49 2k27 h GLN 32 CO -0.60 0.83 -0.37 0.00 -0.95 0.00 0.00 178.83 177.74 2k27 h ARG 33 N 1.20 0.90 0.06 1.46 3.08 -0.95 -0.16 114.38 119.98 2k27 h ARG 33 Ca 0.31 -0.48 0.00 0.00 0.07 0.00 0.00 59.98 59.89 2k27 h ARG 33 Cb -0.05 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2k27 h ARG 33 CO -0.06 1.13 -0.07 0.82 -1.07 0.00 0.00 179.97 180.72 2k27 h ILE 34 N 0.71 0.84 0.35 2.04 1.08 -0.76 -0.86 117.51 120.92 2k27 h ILE 34 Ca 0.06 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.52 2k27 h ILE 34 Cb 0.97 0.84 -0.02 0.00 -3.07 0.00 0.00 36.82 35.54 2k27 h ILE 34 CO 0.09 0.00 -0.32 0.58 -0.69 0.00 0.00 178.15 177.81 2k27 h VAL 35 N -0.15 0.33 -0.11 1.67 2.07 -1.07 -1.03 116.25 117.96 2k27 h VAL 35 Ca 0.01 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.57 2k27 h VAL 35 Cb 0.15 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.18 2k27 h VAL 35 CO -0.02 0.00 -0.33 -0.78 0.02 0.00 0.00 177.57 176.45 2k27 h ASP 36 N -0.70 -1.03 -0.08 0.57 3.58 -0.94 0.22 116.42 118.04 2k27 h ASP 36 Ca -0.02 0.15 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 2k27 h ASP 36 Cb 0.62 0.43 -0.00 0.00 1.72 0.00 0.00 39.33 42.10 2k27 h ASP 36 CO -0.04 -0.37 0.04 0.25 -2.88 0.00 0.00 179.24 176.24 2k27 h LEU 37 N -0.42 0.10 -1.24 2.28 5.85 -1.12 -2.48 115.31 118.28 2k27 h LEU 37 Ca 0.09 -0.06 0.11 0.00 0.84 0.00 0.00 57.88 58.85 2k27 h LEU 37 Cb 0.56 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.50 2k27 h LEU 37 CO -0.34 0.13 0.57 0.00 -0.34 0.00 0.00 178.44 178.45 2k27 h ALA 38 N 0.97 1.71 -0.03 1.25 0.00 -0.91 -2.84 119.26 119.41 2k27 h ALA 38 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.95 2k27 h ALA 38 Cb 0.06 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2k27 h ALA 38 CO -0.00 0.10 0.03 1.25 0.00 0.00 0.00 179.25 180.62 2k27 h HIS 39 N 0.81 0.00 -0.10 0.00 -0.00 -0.46 -0.83 115.15 114.56 2k27 h HIS 39 Ca 0.42 0.00 0.03 0.00 -0.00 0.00 0.00 60.37 60.82 2k27 h HIS 39 Cb 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.91 2k27 h HIS 39 CO -0.00 0.00 0.12 -0.56 -0.00 0.00 0.00 177.93 177.49 2k27 h GLN 40 N 0.00 0.00 -0.06 5.26 3.07 -1.55 -3.46 115.11 118.37 2k27 h GLN 40 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 2k27 h GLN 40 Cb 0.07 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.63 2k27 h GLN 40 CO -0.00 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.33 2k27 n GLY 41 N -1.36 0.87 3.09 0.06 0.00 -0.32 -5.15 105.19 102.39 2k27 n GLY 41 Ca -0.00 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 45.15 2k27 n GLY 41 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k27 s VAL 42 N -2.02 0.21 0.08 1.61 0.11 -1.20 -5.12 120.40 114.06 2k27 s VAL 42 Ca 0.00 -1.74 0.04 0.00 -2.93 0.00 0.00 61.98 57.35 2k27 s VAL 42 Cb 0.00 -1.47 -0.03 0.00 -1.53 0.00 0.00 36.38 33.35 2k27 s VAL 42 CO 0.00 -0.96 -0.10 0.00 -3.33 0.00 0.00 175.10 170.71 2k27 s ARG 43 N -3.84 0.76 0.38 1.54 1.70 -1.26 -4.81 118.95 113.42 2k27 s ARG 43 Ca 0.06 -1.02 0.11 0.00 -0.47 0.00 0.00 55.73 54.41 2k27 s ARG 43 Cb 0.07 -0.52 0.88 0.00 -0.57 0.00 0.00 34.95 34.82 2k27 s ARG 43 CO -0.10 0.09 1.89 -1.00 -1.08 0.00 0.00 175.30 175.10 2k27 h PRO 44 N 3.93 0.60 -0.90 3.89 0.13 -1.94 0.16 132.00 137.87 2k27 h PRO 44 Ca -0.38 -0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.75 2k27 h PRO 44 Cb 1.19 -0.14 -0.05 0.00 0.13 0.00 0.00 31.00 32.13 2k27 h PRO 44 CO 0.48 0.40 0.59 0.00 -0.23 0.00 0.00 178.00 179.23 2k27 h ASP 46 N 1.15 0.36 -1.00 0.00 1.82 -1.13 -3.29 116.42 114.32 2k27 h ASP 46 Ca 0.35 -0.81 0.28 0.00 -0.39 0.00 0.00 57.03 56.47 2k27 h ASP 46 Cb -0.02 -0.11 -0.14 0.00 0.68 0.00 0.00 39.33 39.74 2k27 h ASP 46 CO -0.11 1.12 0.58 0.40 -1.61 0.00 0.00 179.24 179.63 2k27 h ILE 47 N -0.36 0.42 -0.08 2.25 2.04 -0.97 -0.96 117.51 119.84 2k27 h ILE 47 Ca -0.06 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.67 2k27 h ILE 47 Cb 1.20 -0.08 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 2k27 h ILE 47 CO 0.09 0.08 0.41 0.28 0.00 0.00 0.00 178.15 179.01 2k27 h SER 48 N 0.45 0.00 -0.16 1.72 0.02 -1.56 0.19 113.55 114.22 2k27 h SER 48 Ca 0.69 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 61.51 2k27 h SER 48 Cb 1.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.99 2k27 h SER 48 CO -0.54 0.00 -0.41 0.08 -1.14 0.00 0.00 176.83 174.82 2k27 h ARG 49 N 0.00 0.56 -0.30 3.45 -0.00 -1.38 0.21 114.38 116.91 2k27 h ARG 49 Ca 0.04 -0.39 -0.08 0.00 -0.00 0.00 0.00 59.98 59.55 2k27 h ARG 49 Cb 0.86 0.06 -0.01 0.00 -0.00 0.00 0.00 29.97 30.88 2k27 h ARG 49 CO -0.00 1.01 -0.13 1.96 -0.00 0.00 0.00 179.97 182.81 2k27 h GLN 50 N 0.20 0.62 0.00 0.08 4.20 -1.16 -3.18 115.11 115.87 2k27 h GLN 50 Ca -0.01 -0.26 -0.05 0.00 0.06 0.00 0.00 58.65 58.39 2k27 h GLN 50 Cb 1.03 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.78 2k27 h GLN 50 CO 0.09 0.84 -0.33 -0.07 -0.67 0.00 0.00 178.83 178.69 2k27 h LEU 51 N 0.38 0.00 -2.54 1.46 -0.00 -1.44 -3.49 115.31 109.68 2k27 h LEU 51 Ca 0.07 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 57.84 2k27 h LEU 51 Cb 0.64 0.00 0.09 0.00 -0.00 0.00 0.00 40.66 41.39 2k27 h LEU 51 CO 0.04 0.21 -0.39 0.54 -0.00 0.00 0.00 178.44 178.84 2k27 n ARG 52 N -3.10 -1.47 0.00 1.13 1.74 0.63 -5.04 116.66 110.55 2k27 n ARG 52 Ca 0.02 0.95 0.00 0.00 -0.77 0.00 0.00 57.85 58.05 2k27 n ARG 52 Cb 0.62 -4.92 0.00 0.00 -1.02 0.00 0.00 32.46 27.14 2k27 n ARG 52 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2k27 n VAL 53 N -2.34 0.00 0.00 1.55 0.31 -0.57 -5.03 118.33 112.25 2k27 n VAL 53 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 2k27 n VAL 53 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 2k27 n VAL 53 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2k27 n SER 54 N 0.00 0.00 0.04 4.52 2.88 -1.26 -5.02 113.62 114.77 2k27 n SER 54 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2k27 n SER 54 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2k27 n SER 54 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2k27 n HIS 55 N -0.82 -2.59 0.03 0.66 -0.00 -1.26 -4.71 115.22 106.53 2k27 n HIS 55 Ca 0.00 0.26 -0.12 0.00 0.46 0.00 0.00 57.72 58.32 2k27 n HIS 55 Cb 0.00 1.02 -0.07 0.00 -0.12 0.00 0.00 29.99 30.82 2k27 n HIS 55 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 2k27 h GLY 56 N 0.00 0.02 0.93 1.57 0.00 -1.99 -0.05 103.07 103.55 2k27 h GLY 56 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2k27 h GLY 56 CO 0.00 0.01 0.24 0.00 0.00 0.00 0.00 176.54 176.79 2k27 h VAL 58 N 0.49 1.17 -0.28 0.00 2.07 -1.82 -1.33 116.25 116.56 2k27 h VAL 58 Ca 0.16 -0.33 0.05 0.00 0.82 0.00 0.00 66.70 67.40 2k27 h VAL 58 Cb -0.01 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 29.95 2k27 h VAL 58 CO -0.06 0.17 0.01 -1.28 0.02 0.00 0.00 177.57 176.43 2k27 h SER 59 N 0.88 -0.08 -0.42 0.57 0.87 -0.72 0.09 113.55 114.74 2k27 h SER 59 Ca 0.24 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.86 2k27 h SER 59 Cb -0.09 0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.95 2k27 h SER 59 CO -0.05 -0.01 0.26 0.11 -0.53 0.00 0.00 176.83 176.61 2k27 h LYS 60 N 0.10 0.56 0.22 2.24 1.57 -1.10 -1.87 116.57 118.29 2k27 h LYS 60 Ca 0.13 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2k27 h LYS 60 Cb 0.17 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2k27 h LYS 60 CO -0.21 0.40 -0.10 0.82 -0.57 0.00 0.00 179.45 179.78 2k27 h ILE 61 N 0.56 0.81 -0.18 1.86 2.04 -0.90 -3.14 117.51 118.55 2k27 h ILE 61 Ca 0.15 -0.11 0.05 0.00 1.00 0.00 0.00 64.86 65.95 2k27 h ILE 61 Cb -0.03 0.88 -0.07 0.00 -0.74 0.00 0.00 36.82 36.86 2k27 h ILE 61 CO -0.03 0.03 -0.28 -0.07 0.00 0.00 0.00 178.15 177.80 2k27 h LEU 62 N -0.35 -0.87 0.00 1.44 -0.00 -0.89 -3.45 115.31 111.19 2k27 h LEU 62 Ca -0.03 0.14 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 2k27 h LEU 62 Cb 0.27 0.39 0.00 0.00 -0.00 0.00 0.00 40.66 41.32 2k27 h LEU 62 CO 0.05 -0.32 0.00 0.61 -0.00 0.00 0.00 178.44 178.78 2k27 n GLY 63 N -1.39 2.31 0.22 0.83 0.00 -0.71 -4.52 105.19 101.93 2k27 n GLY 63 Ca -0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2k27 n GLY 63 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2k27 h ARG 64 N 0.00 0.75 0.00 1.61 2.47 -1.63 -3.42 114.38 114.16 2k27 h ARG 64 Ca 0.00 -0.38 0.00 0.00 -1.26 0.00 0.00 59.98 58.34 2k27 h ARG 64 Cb 0.00 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.33 2k27 h ARG 64 CO 0.00 1.00 -0.04 0.66 0.56 0.00 0.00 179.97 182.16 2k27 n TYR 65 N -4.24 0.00 0.03 3.04 4.01 -1.26 -5.03 117.16 113.71 2k27 n TYR 65 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2k27 n TYR 65 Cb 0.47 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.48 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 -3.23 -0.86 -3.17 -0.72 4.01 -1.26 -5.07 117.16 106.86 2k27 n TYR 66 Ca -0.01 0.13 -0.16 0.00 -0.16 0.00 0.00 57.90 57.71 2k27 n TYR 66 Cb 0.02 0.62 0.04 0.00 -0.31 0.00 0.00 39.34 39.71 2k27 n TYR 66 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 2k27 n GLU 67 N -2.71 0.72 0.14 -0.72 1.02 -1.26 -4.16 120.64 113.66 2k27 n GLU 67 Ca 0.00 -2.49 -0.14 0.00 -0.02 0.00 0.00 57.16 54.52 2k27 n GLU 67 Cb 0.00 -0.11 -0.08 0.00 -0.02 0.00 0.00 31.44 31.23 2k27 n GLU 67 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 2k27 h THR 68 N 0.17 0.82 -0.30 2.62 1.35 -1.85 -2.84 112.91 112.89 2k27 h THR 68 Ca -0.22 -0.31 -0.27 0.00 -0.55 0.00 0.00 66.41 65.06 2k27 h THR 68 Cb 0.98 1.00 -0.18 0.00 -1.73 0.00 0.00 68.15 68.22 2k27 h THR 68 CO 0.32 0.07 -0.58 0.61 -0.25 0.00 0.00 175.52 175.69 2k27 n GLY 69 N -0.80 0.46 2.11 5.82 0.00 -1.26 -4.49 105.19 107.03 2k27 n GLY 69 Ca -0.09 -0.11 -0.05 0.00 0.00 0.00 0.00 46.02 45.77 2k27 n GLY 69 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k27 n SER 70 N 1.58 -1.28 -2.84 1.61 2.88 -1.26 -5.01 113.62 109.30 2k27 n SER 70 Ca 0.11 -1.88 -0.06 0.00 -1.33 0.00 0.00 58.87 55.71 2k27 n SER 70 Cb 0.62 2.13 0.03 0.00 -0.75 0.00 0.00 64.21 66.23 2k27 n SER 70 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2k27 n ILE 71 N -0.30 -8.07 -3.21 2.46 5.41 -1.26 -4.45 119.36 109.93 2k27 n ILE 71 Ca -0.05 -0.63 -0.24 0.00 1.00 0.00 0.00 62.75 62.83 2k27 n ILE 71 Cb 0.33 -6.09 -0.07 0.00 -0.71 0.00 0.00 39.64 33.10 2k27 n ILE 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2k27 n ARG 72 N -2.24 0.75 -2.27 0.38 5.12 -1.26 -5.05 116.66 112.08 2k27 n ARG 72 Ca -0.03 -3.27 -0.33 0.00 -1.93 0.00 0.00 57.85 52.29 2k27 n ARG 72 Cb 0.55 -1.28 -0.04 0.00 -1.16 0.00 0.00 32.46 30.53 2k27 n ARG 72 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2k27 s PRO 73 N -1.15 3.02 0.07 5.56 0.04 -1.26 -4.96 135.00 136.32 2k27 s PRO 73 Ca 0.35 -0.71 -0.01 0.00 0.04 0.00 0.00 61.00 60.67 2k27 s PRO 73 Cb 0.16 -5.20 0.02 0.00 0.04 0.00 0.00 34.50 29.51 2k27 s PRO 73 CO -0.11 -2.89 0.10 0.41 0.04 0.00 0.00 177.00 174.55 2k27 n GLY 74 N 6.79 -0.70 2.55 0.56 0.00 -1.26 -5.09 105.19 108.04 2k27 n GLY 74 Ca 0.38 -1.74 -0.26 0.00 0.00 0.00 0.00 46.02 44.39 2k27 n GLY 74 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2k27 s VAL 75 N -0.94 -0.02 0.19 1.61 -7.23 -1.26 -5.13 120.40 107.62 2k27 s VAL 75 Ca 0.06 -1.34 -0.30 0.00 -1.81 0.00 0.00 61.98 58.59 2k27 s VAL 75 Cb -0.00 -1.00 -0.09 0.00 0.56 0.00 0.00 36.38 35.86 2k27 s VAL 75 CO 0.04 -0.84 1.28 -0.63 -0.31 0.00 0.00 175.10 174.64 2k27 s ILE 76 N 1.39 3.30 0.07 -0.62 1.01 -1.26 -4.99 121.20 120.10 2k27 s ILE 76 Ca 0.16 1.08 -0.26 0.00 0.00 0.00 0.00 60.65 61.62 2k27 s ILE 76 Cb -0.20 -3.69 0.09 0.00 0.01 0.00 0.00 42.46 38.67 2k27 s ILE 76 CO -0.08 0.16 1.19 -0.83 0.00 0.00 0.00 174.94 175.38 2k27 s GLY 77 N 0.31 -0.03 0.00 6.18 0.00 -1.26 -5.20 107.32 107.32 2k27 s GLY 77 Ca 0.56 -0.10 0.00 0.00 0.00 0.00 0.00 44.72 45.17 2k27 s GLY 77 CO 0.38 4.22 0.00 0.61 0.00 0.00 0.00 173.10 178.31 2k27 n GLY 78 N -0.81 -1.26 3.76 0.20 0.00 -1.26 -5.15 105.19 100.67 2k27 n GLY 78 Ca 0.01 -0.92 -0.38 0.00 0.00 0.00 0.00 46.02 44.72 2k27 n GLY 78 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k27 s SER 79 N -4.00 5.97 -0.66 1.61 0.01 -1.26 -5.01 113.70 110.37 2k27 s SER 79 Ca 0.00 2.56 0.05 0.00 1.31 0.00 0.00 55.95 59.87 2k27 s SER 79 Cb 0.00 -2.63 0.17 0.00 0.21 0.00 0.00 66.02 63.77 2k27 s SER 79 CO 0.00 -1.07 0.47 -0.75 0.41 0.00 0.00 173.24 172.29 2k27 s LYS 80 N -2.59 2.21 0.89 12.44 2.20 -1.26 -5.11 119.74 128.52 2k27 s LYS 80 Ca 0.63 -3.14 -0.11 0.00 -0.36 0.00 0.00 55.97 52.99 2k27 s LYS 80 Cb -0.35 -3.10 0.13 0.00 -1.51 0.00 0.00 37.83 33.00 2k27 s LYS 80 CO 0.44 -1.30 1.09 -1.25 -0.36 0.00 0.00 175.35 173.97 2k27 s PRO 81 N -1.20 1.28 0.00 4.03 0.04 -1.26 -5.07 135.00 132.82 2k27 s PRO 81 Ca 0.26 0.85 0.00 0.00 0.04 0.00 0.00 61.00 62.15 2k27 s PRO 81 Cb -0.03 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.70 2k27 s PRO 81 CO -0.17 -2.23 0.00 1.63 0.04 0.00 0.00 177.00 176.27 2k27 n LYS 82 N -3.88 3.35 -3.91 4.56 4.76 -1.26 -5.15 118.16 116.63 2k27 n LYS 82 Ca 0.07 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.37 2k27 n LYS 82 Cb 0.55 0.00 -0.15 0.00 -1.84 0.00 0.00 35.03 33.59 2k27 n LYS 82 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2k27 s VAL 83 N 2.17 0.09 0.58 -0.18 1.01 -1.26 -5.16 120.40 117.65 2k27 s VAL 83 Ca 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 2k27 s VAL 83 Cb 0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 36.38 36.22 2k27 s VAL 83 CO 0.00 0.05 1.02 0.00 0.00 0.00 0.00 175.10 176.17 2k27 s ALA 84 N 0.28 3.00 -0.15 5.51 0.00 -1.26 -5.10 121.76 124.04 2k27 s ALA 84 Ca -0.02 0.09 -0.26 0.00 0.00 0.00 0.00 51.96 51.77 2k27 s ALA 84 Cb -0.04 -3.12 0.06 0.00 0.00 0.00 0.00 23.12 20.02 2k27 s ALA 84 CO -0.01 -0.59 0.65 -0.08 0.00 0.00 0.00 175.76 175.74 2k27 s THR 85 N -2.87 0.00 -0.15 0.00 -1.32 -1.26 -5.02 115.64 105.03 2k27 s THR 85 Ca 0.58 -0.03 0.27 0.00 -1.21 0.00 0.00 61.69 61.30 2k27 s THR 85 Cb -0.11 -0.94 0.28 0.00 -1.51 0.00 0.00 72.50 70.21 2k27 s THR 85 CO 0.43 -0.02 1.81 1.55 -2.21 0.00 0.00 174.62 176.19 2k27 h PRO 86 N 4.11 0.00 0.00 7.08 0.13 -2.04 -2.71 132.00 138.57 2k27 h PRO 86 Ca -0.28 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2k27 h PRO 86 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 2k27 h PRO 86 CO 0.23 0.00 -0.00 -0.22 -0.23 0.00 0.00 178.00 177.78 2k27 h LYS 87 N 0.00 0.00 -0.90 0.86 3.64 -2.02 -1.01 116.57 117.13 2k27 h LYS 87 Ca 0.00 0.00 0.19 0.00 -1.27 0.00 0.00 60.65 59.57 2k27 h LYS 87 Cb 0.19 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 31.90 2k27 h LYS 87 CO 0.00 0.00 0.46 0.28 -2.27 0.00 0.00 179.45 177.92 2k27 h VAL 88 N 0.00 0.60 -0.99 2.00 2.07 -1.91 -2.18 116.25 115.83 2k27 h VAL 88 Ca -0.00 -0.19 0.16 0.00 0.82 0.00 0.00 66.70 67.49 2k27 h VAL 88 Cb 0.01 0.01 -0.10 0.00 -1.52 0.00 0.00 31.29 29.70 2k27 h VAL 88 CO 0.00 0.10 0.61 0.58 0.02 0.00 0.00 177.57 178.88 2k27 h VAL 89 N 0.54 0.79 -0.39 2.57 2.07 -1.43 -0.67 116.25 119.73 2k27 h VAL 89 Ca 0.54 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.81 2k27 h VAL 89 Cb 0.92 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2k27 h VAL 89 CO -0.45 0.15 0.26 -0.33 0.02 0.00 0.00 177.57 177.23 2k27 h GLU 90 N 0.85 0.35 -0.39 1.57 5.08 -1.56 -2.64 114.58 117.84 2k27 h GLU 90 Ca 0.54 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.77 2k27 h GLU 90 Cb 0.72 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 2k27 h GLU 90 CO -0.34 0.23 -0.21 0.87 -1.00 0.00 0.00 179.01 178.57 2k27 h LYS 91 N 0.36 0.76 -0.56 2.33 1.79 -1.21 0.14 116.57 120.17 2k27 h LYS 91 Ca 0.16 -0.29 -0.06 0.00 -2.18 0.00 0.00 60.65 58.28 2k27 h LYS 91 Cb 0.20 -0.04 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 2k27 h LYS 91 CO -0.04 0.90 0.09 0.82 -1.08 0.00 0.00 179.45 180.15 2k27 h ILE 92 N 0.66 1.24 -0.48 1.86 5.03 -1.53 -2.39 117.51 121.91 2k27 h ILE 92 Ca 0.10 -0.92 0.06 0.00 -0.12 0.00 0.00 64.86 63.98 2k27 h ILE 92 Cb 0.71 0.71 -0.06 0.00 -3.03 0.00 0.00 36.82 35.15 2k27 h ILE 92 CO 0.05 0.34 0.16 1.23 -0.68 0.00 0.00 178.15 179.26 2k27 h GLY 93 N 1.00 0.62 0.95 5.37 0.00 -1.00 -3.27 103.07 106.75 2k27 h GLY 93 Ca 0.18 -0.09 -0.09 0.00 0.00 0.00 0.00 47.33 47.33 2k27 h GLY 93 CO 0.01 0.01 -0.12 -0.55 0.00 0.00 0.00 176.54 175.88 2k27 h ASP 94 N 0.33 0.72 -0.78 0.19 3.32 -0.30 -3.35 116.42 116.55 2k27 h ASP 94 Ca 0.23 -0.38 0.09 0.00 0.02 0.00 0.00 57.03 56.99 2k27 h ASP 94 Cb 0.24 -0.20 -0.05 0.00 0.22 0.00 0.00 39.33 39.54 2k27 h ASP 94 CO -0.24 0.94 0.51 1.88 -1.72 0.00 0.00 179.24 180.62 2k27 h TYR 95 N 0.50 0.76 -0.08 4.55 0.05 -1.50 0.15 116.97 121.40 2k27 h TYR 95 Ca 0.08 0.02 -0.13 0.00 0.05 0.00 0.00 58.73 58.76 2k27 h TYR 95 Cb 0.65 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 2k27 h TYR 95 CO 0.05 0.36 -0.51 1.57 -1.05 0.00 0.00 178.16 178.59 2k27 h LYS 96 N 0.72 0.22 -0.41 4.88 -0.00 -1.76 -0.26 116.57 119.96 2k27 h LYS 96 Ca 0.36 -0.13 -0.08 0.00 -0.00 0.00 0.00 60.65 60.80 2k27 h LYS 96 Cb 0.44 0.01 -0.02 0.00 -0.00 0.00 0.00 32.23 32.66 2k27 h LYS 96 CO -0.14 0.68 -0.08 0.00 -0.00 0.00 0.00 179.45 179.91 2k27 h ARG 97 N 0.17 0.71 0.09 0.07 3.08 -0.92 -3.24 114.38 114.35 2k27 h ARG 97 Ca 0.01 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 59.84 2k27 h ARG 97 Cb 0.96 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.94 2k27 h ARG 97 CO 0.08 0.78 -0.04 1.96 -1.07 0.00 0.00 179.97 181.67 2k27 h GLN 98 N 0.65 -0.12 -7.11 0.04 1.08 -1.00 -3.46 115.11 105.19 2k27 h GLN 98 Ca 0.12 0.01 -0.51 0.00 -1.45 0.00 0.00 58.65 56.81 2k27 h GLN 98 Cb 0.53 0.03 0.09 0.00 -0.05 0.00 0.00 27.48 28.08 2k27 h GLN 98 CO 0.03 0.41 0.43 -0.80 -0.95 0.00 0.00 178.83 177.95 2k27 s ASN 99 N -5.64 5.36 0.00 1.46 0.01 -0.13 -5.00 114.94 111.01 2k27 s ASN 99 Ca -0.14 2.22 -0.23 0.00 -0.71 0.00 0.00 52.86 54.00 2k27 s ASN 99 Cb 0.00 -2.58 -0.13 0.00 0.41 0.00 0.00 41.25 38.95 2k27 s ASN 99 CO 0.56 -1.47 0.99 1.55 -1.51 0.00 0.00 177.10 177.22 2k27 h PRO 100 N 0.82 -0.81 -2.07 -0.60 0.13 -1.89 -3.40 132.00 124.17 2k27 h PRO 100 Ca -0.49 0.06 -0.52 0.00 -0.87 0.00 0.00 66.00 64.17 2k27 h PRO 100 Cb 1.27 0.18 -0.40 0.00 0.13 0.00 0.00 31.00 32.18 2k27 h PRO 100 CO 0.55 -0.54 -1.04 0.25 -0.23 0.00 0.00 178.00 177.00 2k27 n THR 101 N -5.23 0.51 -4.31 1.56 -2.24 -1.26 -5.06 114.28 98.25 2k27 n THR 101 Ca -0.10 -4.71 -0.19 0.00 -2.27 0.00 0.00 64.05 56.78 2k27 n THR 101 Cb 0.33 -0.93 -0.11 0.00 -2.10 0.00 0.00 70.33 67.53 2k27 n THR 101 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2k27 s MET 102 N -2.39 1.22 0.25 -0.78 -1.94 -1.26 -5.13 119.30 109.27 2k27 s MET 102 Ca 0.41 -1.45 0.01 0.00 -1.71 0.00 0.00 55.69 52.94 2k27 s MET 102 Cb 0.29 -1.07 -0.03 0.00 2.01 0.00 0.00 34.83 36.03 2k27 s MET 102 CO -0.09 0.19 0.20 -0.06 -0.01 0.00 0.00 175.02 175.25 2k27 s PHE 103 N -2.61 1.32 0.26 -0.03 0.08 -1.26 -4.66 117.98 111.07 2k27 s PHE 103 Ca 0.17 -1.44 -0.07 0.00 0.12 0.00 0.00 56.93 55.71 2k27 s PHE 103 Cb -0.02 -0.56 0.46 0.00 -0.57 0.00 0.00 43.02 42.32 2k27 s PHE 103 CO 0.05 -0.75 1.60 0.00 -0.10 0.00 0.00 175.22 176.02 2k27 h ALA 104 N 2.43 0.73 -0.24 5.36 0.00 -1.99 0.77 119.26 126.33 2k27 h ALA 104 Ca -0.32 0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k27 h ALA 104 Cb 1.24 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 2k27 h ALA 104 CO 0.46 -0.44 0.13 -1.49 0.00 0.00 0.00 179.25 177.92 2k27 h TRP 105 N 0.03 0.33 -0.18 0.00 6.55 -1.97 -3.19 115.95 117.51 2k27 h TRP 105 Ca 0.44 -0.01 -0.03 0.00 0.95 0.00 0.00 58.89 60.25 2k27 h TRP 105 Cb 0.76 -0.10 -0.01 0.00 -0.86 0.00 0.00 29.16 28.95 2k27 h TRP 105 CO -0.57 0.28 -0.01 0.93 -1.05 0.00 0.00 178.44 178.01 2k27 h GLU 106 N 0.28 0.33 -0.02 0.49 4.39 -1.34 -3.11 114.58 115.61 2k27 h GLU 106 Ca 0.08 -0.11 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2k27 h GLU 106 Cb 0.05 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2k27 h GLU 106 CO -0.01 0.55 0.07 0.82 -1.16 0.00 0.00 179.01 179.28 2k27 h ILE 107 N 0.07 0.11 -0.70 3.13 1.08 -1.05 -1.25 117.51 118.91 2k27 h ILE 107 Ca 0.05 0.00 0.12 0.00 -0.39 0.00 0.00 64.86 64.64 2k27 h ILE 107 Cb 0.41 0.93 -0.13 0.00 -3.07 0.00 0.00 36.82 34.96 2k27 h ILE 107 CO 0.01 0.00 -0.31 -0.09 -0.69 0.00 0.00 178.15 177.07 2k27 h ARG 108 N 0.00 -0.10 0.00 2.37 2.43 -1.53 -2.04 114.38 115.52 2k27 h ARG 108 Ca 0.01 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 2k27 h ARG 108 Cb 0.16 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2k27 h ARG 108 CO -0.00 -0.06 -0.23 -0.44 -1.51 0.00 0.00 179.97 177.72 2k27 h ASP 109 N -0.10 0.00 0.00 -3.80 5.19 -1.44 -3.10 116.42 113.17 2k27 h ASP 109 Ca 0.28 -0.06 0.01 0.00 -0.62 0.00 0.00 57.03 56.64 2k27 h ASP 109 Cb 0.56 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.06 2k27 h ASP 109 CO -0.76 0.03 -0.06 -0.09 -3.12 0.00 0.00 179.24 175.25 2k27 h ARG 110 N 0.00 -0.10 -1.00 3.56 9.65 -1.34 -1.01 114.38 124.15 2k27 h ARG 110 Ca 0.00 0.01 0.03 0.00 -1.10 0.00 0.00 59.98 58.92 2k27 h ARG 110 Cb 0.78 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.33 2k27 h ARG 110 CO 0.00 -0.07 0.66 -0.07 2.80 0.00 0.00 179.97 183.29 2k27 h LEU 111 N -0.10 1.11 0.24 3.80 3.38 -1.41 0.11 115.31 122.44 2k27 h LEU 111 Ca 0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2k27 h LEU 111 Cb 0.13 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.62 2k27 h LEU 111 CO -0.06 0.77 -0.11 -0.07 0.09 0.00 0.00 178.44 179.06 2k27 h LEU 112 N 1.29 -0.27 -1.43 1.67 3.38 -1.52 -0.43 115.31 118.00 2k27 h LEU 112 Ca 0.39 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.26 2k27 h LEU 112 Cb -0.05 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2k27 h LEU 112 CO -0.11 -0.04 0.40 0.00 0.09 0.00 0.00 178.44 178.78 2k27 h ALA 113 N 0.22 1.62 0.00 1.53 0.00 -0.82 -2.02 119.26 119.79 2k27 h ALA 113 Ca -0.03 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2k27 h ALA 113 Cb 0.37 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2k27 h ALA 113 CO 0.05 0.33 -0.57 1.49 0.00 0.00 0.00 179.25 180.55 2k27 h GLU 114 N 0.77 0.00 -0.82 0.00 4.57 -0.68 -3.48 114.58 114.93 2k27 h GLU 114 Ca 0.23 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.41 2k27 h GLU 114 Cb -0.01 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.58 2k27 h GLU 114 CO -0.06 0.57 0.00 0.41 -1.18 0.00 0.00 179.01 178.75 2k27 n GLY 115 N 0.42 0.89 0.42 1.92 0.00 -0.59 -5.02 105.19 103.23 2k27 n GLY 115 Ca -0.01 -0.47 -0.19 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.63 1.08 -4.26 1.61 0.31 -0.27 -5.03 118.33 110.13 2k27 n VAL 116 Ca 0.00 -0.20 -0.23 0.00 -0.01 0.00 0.00 64.34 63.90 2k27 n VAL 116 Cb 0.36 -1.80 -0.07 0.00 -0.91 0.00 0.00 33.84 31.42 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 -3.68 6.14 0.29 0.00 1.01 -1.26 -4.12 116.67 115.05 2k27 s ASP 118 Ca 0.32 0.13 -0.00 0.00 0.71 0.00 0.00 52.55 53.71 2k27 s ASP 118 Cb -0.07 -1.68 0.69 0.00 1.01 0.00 0.00 42.92 42.87 2k27 s ASP 118 CO 0.21 -0.33 1.59 -1.13 0.21 0.00 0.00 175.17 175.72 2k27 h ASN 119 N 0.86 -0.43 0.07 0.27 -1.24 -1.98 -2.37 115.58 110.76 2k27 h ASN 119 Ca -0.49 0.26 -0.37 0.00 0.71 0.00 0.00 56.30 56.41 2k27 h ASN 119 Cb 1.24 0.45 -0.05 0.00 0.73 0.00 0.00 38.32 40.68 2k27 h ASN 119 CO 0.58 -0.31 -2.28 0.47 -1.29 0.00 0.00 177.43 174.61 2k27 n ASP 120 N -5.45 1.59 -0.23 1.15 9.92 -1.26 -4.48 116.55 117.79 2k27 n ASP 120 Ca 0.21 0.02 0.03 0.00 -0.53 0.00 0.00 54.79 54.52 2k27 n ASP 120 Cb 0.70 -0.26 0.27 0.00 -0.64 0.00 0.00 41.12 41.19 2k27 n ASP 120 CO 0.00 0.00 0.00 0.71 0.13 0.00 0.00 177.20 178.04 2k27 h THR 121 N 0.02 1.13 -1.06 -3.53 1.35 -1.85 -3.43 112.91 105.53 2k27 h THR 121 Ca -0.51 -0.33 -0.80 0.00 -0.55 0.00 0.00 66.41 64.22 2k27 h THR 121 Cb 2.00 0.08 0.04 0.00 -1.73 0.00 0.00 68.15 68.54 2k27 h THR 121 CO -0.01 0.18 0.28 0.55 -0.25 0.00 0.00 175.52 176.27 2k27 n VAL 122 N -4.45 0.01 -1.40 6.82 3.14 -0.94 -4.89 118.33 116.62 2k27 n VAL 122 Ca 0.10 -0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.17 2k27 n VAL 122 Cb 0.11 -0.23 0.09 0.00 -1.06 0.00 0.00 33.84 32.75 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 0.93 2.15 0.29 1.45 0.04 -1.26 -4.96 135.00 133.64 2k27 s PRO 123 Ca 0.94 0.90 -0.30 0.00 0.04 0.00 0.00 61.00 62.59 2k27 s PRO 123 Cb -1.30 -1.90 -0.12 0.00 0.04 0.00 0.00 34.50 31.22 2k27 s PRO 123 CO 0.63 -1.65 1.58 0.43 0.04 0.00 0.00 177.00 178.03 2k27 n SER 124 N -3.49 3.75 -0.03 6.66 7.64 -1.26 -4.91 113.62 121.99 2k27 n SER 124 Ca 0.08 1.15 0.06 0.00 1.01 0.00 0.00 58.87 61.17 2k27 n SER 124 Cb 0.54 -1.58 0.45 0.00 -1.01 0.00 0.00 64.21 62.61 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 3.31 1.04 -0.39 0.44 3.04 -1.94 -1.52 116.25 120.24 2k27 h VAL 125 Ca -0.47 -0.17 -0.05 0.00 -1.01 0.00 0.00 66.70 65.00 2k27 h VAL 125 Cb 1.23 0.49 -0.02 0.00 -2.01 0.00 0.00 31.29 30.98 2k27 h VAL 125 CO 0.78 0.09 0.05 0.77 -1.01 0.00 0.00 177.57 178.25 2k27 h SER 126 N 0.51 0.55 0.44 3.17 4.64 -1.99 -2.04 113.55 118.83 2k27 h SER 126 Ca 0.19 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.39 2k27 h SER 126 Cb 0.13 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2k27 h SER 126 CO -0.05 0.59 -0.21 -1.28 -0.87 0.00 0.00 176.83 175.01 2k27 h SER 127 N 0.57 -0.49 -0.93 4.97 0.87 -1.65 -1.16 113.55 115.73 2k27 h SER 127 Ca 0.13 0.02 0.19 0.00 -1.23 0.00 0.00 61.79 60.89 2k27 h SER 127 Cb 0.29 0.13 -0.11 0.00 -0.44 0.00 0.00 62.40 62.27 2k27 h SER 127 CO 0.00 -0.22 0.50 0.16 -0.53 0.00 0.00 176.83 176.74 2k27 h ILE 128 N -0.85 0.64 0.73 2.23 3.07 -1.60 -0.94 117.51 120.79 2k27 h ILE 128 Ca -0.06 -0.21 -0.03 0.00 1.55 0.00 0.00 64.86 66.11 2k27 h ILE 128 Cb 0.45 -0.02 -0.00 0.00 -0.27 0.00 0.00 36.82 36.97 2k27 h ILE 128 CO 0.10 0.11 -0.47 -1.13 -1.05 0.00 0.00 178.15 175.71 2k27 h ASN 129 N 0.61 -1.19 -0.29 2.16 -0.73 -1.36 -1.35 115.58 113.42 2k27 h ASN 129 Ca 0.54 0.07 -0.03 0.00 1.87 0.00 0.00 56.30 58.75 2k27 h ASN 129 Cb 0.90 0.35 -0.02 0.00 0.27 0.00 0.00 38.32 39.82 2k27 h ASN 129 CO -0.42 -0.71 0.08 0.08 -0.37 0.00 0.00 177.43 176.09 2k27 h ARG 130 N -1.13 0.54 -0.05 6.67 0.11 -0.39 0.34 114.38 120.48 2k27 h ARG 130 Ca -0.10 -0.09 0.03 0.00 0.10 0.00 0.00 59.98 59.92 2k27 h ARG 130 Cb 0.91 -0.09 -0.04 0.00 1.11 0.00 0.00 29.97 31.86 2k27 h ARG 130 CO 0.09 0.51 -0.17 0.82 0.10 0.00 0.00 179.97 181.32 2k27 h ILE 131 N 0.53 0.58 -0.73 0.08 5.03 -1.18 -3.03 117.51 118.79 2k27 h ILE 131 Ca 0.12 0.00 -0.01 0.00 -0.12 0.00 0.00 64.86 64.85 2k27 h ILE 131 Cb 0.22 0.58 -0.03 0.00 -3.03 0.00 0.00 36.82 34.55 2k27 h ILE 131 CO -0.00 0.00 0.42 0.40 -0.68 0.00 0.00 178.15 178.29 2k27 h ILE 132 N -0.25 1.22 -0.98 -0.67 2.04 0.06 -3.10 117.51 115.82 2k27 h ILE 132 Ca 0.07 -0.51 0.16 0.00 1.00 0.00 0.00 64.86 65.58 2k27 h ILE 132 Cb 0.35 0.23 -0.09 0.00 -0.74 0.00 0.00 36.82 36.57 2k27 h ILE 132 CO -0.20 0.23 0.61 0.03 0.00 0.00 0.00 178.15 178.83 2k27 h ARG 133 N 1.00 0.77 0.00 2.37 2.47 -0.88 0.56 114.38 120.67 2k27 h ARG 133 Ca 0.26 -0.05 -0.00 0.00 -1.26 0.00 0.00 59.98 58.93 2k27 h ARG 133 Cb 0.00 -0.17 -0.00 0.00 -1.65 0.00 0.00 29.97 28.15 2k27 h ARG 133 CO -0.05 0.51 -0.01 1.79 0.56 0.00 0.00 179.97 182.77 2k27 h THR 134 N 0.80 0.46 0.09 2.04 1.35 -1.53 -2.21 112.91 113.90 2k27 h THR 134 Ca 0.53 -0.06 -0.31 0.00 -0.55 0.00 0.00 66.41 66.02 2k27 h THR 134 Cb 0.78 1.04 -0.02 0.00 -1.73 0.00 0.00 68.15 68.22 2k27 h THR 134 CO -0.30 0.01 -1.66 0.11 -0.25 0.00 0.00 175.52 173.43 2k27 h LYS 135 N 0.00 0.20 -2.32 4.72 6.56 -1.10 -3.46 116.57 121.18 2k27 h LYS 135 Ca -0.00 -0.34 -0.47 0.00 -1.06 0.00 0.00 60.65 58.79 2k27 h LYS 135 Cb 0.04 0.12 -0.35 0.00 -0.57 0.00 0.00 32.23 31.47 2k27 h LYS 135 CO 0.00 1.16 -0.76 0.54 -2.06 0.00 0.00 179.45 178.33 2k27 s VAL 136 N -2.49 -0.12 0.19 0.50 0.11 -0.48 -5.12 120.40 112.99 2k27 s VAL 136 Ca -0.23 -1.20 -0.07 0.00 -2.93 0.00 0.00 61.98 57.54 2k27 s VAL 136 Cb 0.06 -0.92 -0.02 0.00 -1.53 0.00 0.00 36.38 33.97 2k27 s VAL 136 CO 0.73 -0.75 0.27 0.00 -3.33 0.00 0.00 175.10 172.01 2k27 s GLN 137 N 1.46 1.24 0.03 1.54 1.03 -0.95 -4.28 119.66 119.73 2k27 s GLN 137 Ca 0.16 -1.33 0.06 0.00 0.04 0.00 0.00 55.36 54.28 2k27 s GLN 137 Cb -0.18 0.36 -0.02 0.00 0.03 0.00 0.00 33.01 33.20 2k27 s GLN 137 CO -0.08 -0.45 -0.17 -0.65 -2.54 0.00 0.00 175.29 171.40 2k27 s GLN 138 N -4.04 1.18 0.99 9.60 -0.21 -1.26 -5.07 119.66 120.84 2k27 s GLN 138 Ca 0.25 -0.76 -0.14 0.00 0.02 0.00 0.00 55.36 54.72 2k27 s GLN 138 Cb 0.04 -1.20 0.18 0.00 1.00 0.00 0.00 33.01 33.03 2k27 s GLN 138 CO 0.05 0.31 1.15 -1.25 -2.12 0.00 0.00 175.29 173.44 2k27 s PRO 139 N -0.93 0.48 -1.55 2.91 0.04 -1.26 -4.92 135.00 129.77 2k27 s PRO 139 Ca 0.05 0.14 -0.12 0.00 0.04 0.00 0.00 61.00 61.11 2k27 s PRO 139 Cb -0.08 -1.78 -0.03 0.00 0.04 0.00 0.00 34.50 32.66 2k27 s PRO 139 CO 0.01 -2.61 2.63 1.19 0.04 0.00 0.00 177.00 178.26 2k27 n PHE 140 N -4.02 2.92 -3.53 0.56 3.72 -1.26 -4.81 117.46 111.04 2k27 n PHE 140 Ca 0.09 -3.04 -0.17 0.00 -0.05 0.00 0.00 57.45 54.27 2k27 n PHE 140 Cb 0.59 -2.52 -0.06 0.00 -0.94 0.00 0.00 39.48 36.55 2k27 n PHE 140 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2k27 s ASN 141 N 2.62 -0.66 -0.60 4.37 3.84 -1.26 -5.12 114.94 118.13 2k27 s ASN 141 Ca 0.60 0.78 -0.03 0.00 0.21 0.00 0.00 52.86 54.42 2k27 s ASN 141 Cb 0.16 0.63 0.15 0.00 -0.55 0.00 0.00 41.25 41.64 2k27 s ASN 141 CO -0.07 -0.56 0.41 -0.22 -2.79 0.00 0.00 177.10 173.87 2k27 s LEU 142 N -1.02 5.24 0.01 3.21 2.96 -1.26 -5.08 118.68 122.73 2k27 s LEU 142 Ca -0.09 -2.76 -0.30 0.00 -0.22 0.00 0.00 54.13 50.76 2k27 s LEU 142 Cb -0.01 -1.85 -0.06 0.00 0.50 0.00 0.00 46.19 44.78 2k27 s LEU 142 CO 0.09 -0.39 1.36 -2.16 -1.32 0.00 0.00 176.35 173.93 2k27 s PRO 143 N 0.08 4.31 -0.27 0.98 0.04 -1.26 -4.99 135.00 133.89 2k27 s PRO 143 Ca 0.16 1.93 -0.00 0.00 0.04 0.00 0.00 61.00 63.13 2k27 s PRO 143 Cb -0.21 -3.51 0.16 0.00 0.04 0.00 0.00 34.50 30.98 2k27 s PRO 143 CO -0.03 -0.52 0.46 1.41 0.04 0.00 0.00 177.00 178.36 2k27 s MET 144 N 2.12 0.44 -0.02 4.56 1.75 -1.26 -5.14 119.30 121.75 2k27 s MET 144 Ca 0.63 0.55 0.01 0.00 -1.25 0.00 0.00 55.69 55.62 2k27 s MET 144 Cb -0.31 -0.12 0.01 0.00 2.84 0.00 0.00 34.83 37.25 2k27 s MET 144 CO 0.27 -0.78 -0.02 0.34 -0.65 0.00 0.00 175.02 174.18 2k27 s ASP 145 N 2.65 0.40 0.13 1.11 2.15 -1.26 -5.16 116.67 116.69 2k27 s ASP 145 Ca 0.14 -0.04 -0.25 0.00 0.43 0.00 0.00 52.55 52.82 2k27 s ASP 145 Cb -0.14 -0.14 0.07 0.00 -0.30 0.00 0.00 42.92 42.41 2k27 s ASP 145 CO -0.22 -0.03 0.82 -0.44 -0.17 0.00 0.00 175.17 175.13 2k27 s SER 146 N 0.50 -0.33 0.00 -0.34 0.01 -1.26 -5.18 113.70 107.11 2k27 s SER 146 Ca -0.05 -0.25 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2k27 s SER 146 Cb -0.08 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.68 2k27 s SER 146 CO -0.01 -0.92 0.00 0.61 0.41 0.00 0.00 173.24 173.33 2k27 n GLY 147 N -0.39 -0.88 2.60 3.44 0.00 -1.26 -4.96 105.19 103.74 2k27 n GLY 147 Ca -0.09 -1.67 -0.12 0.00 0.00 0.00 0.00 46.02 44.14 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 -0.89 -0.30 -1.55 4.61 0.00 -1.26 -5.16 120.51 115.95 2k27 n ALA 148 Ca 0.00 -1.89 -0.30 0.00 0.00 0.00 0.00 53.44 51.25 2k27 n ALA 148 Cb 0.00 -1.21 0.18 0.00 0.00 0.00 0.00 19.45 18.42 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 0.30 0.30 0.00 0.00 0.04 -1.26 -4.94 135.00 129.44 2k27 s PRO 149 Ca 0.32 -0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.30 2k27 s PRO 149 Cb 0.14 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.91 2k27 s PRO 149 CO -0.17 -2.70 0.00 0.41 0.04 0.00 0.00 177.00 174.59 2k27 n GLY 150 N -2.42 -0.24 3.80 0.56 0.00 -1.26 -5.17 105.19 100.47 2k27 n GLY 150 Ca 0.12 -0.76 -0.04 0.00 0.00 0.00 0.00 46.02 45.34 2k27 n GLY 150 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k27 s GLY 151 N 0.00 -0.07 -0.01 -0.02 0.00 -1.26 -5.20 107.32 100.77 2k27 s GLY 151 Ca 0.00 -0.10 -0.27 0.00 0.00 0.00 0.00 44.72 44.35 2k27 s GLY 151 CO 0.00 0.88 1.23 0.61 0.00 0.00 0.00 173.10 175.82 2k27 n GLY 152 N -0.56 0.25 3.44 0.20 0.00 -1.26 -5.19 105.19 102.06 2k27 n GLY 152 Ca -0.05 -1.05 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 2k27 n GLY 152 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k27 s SER 153 N -3.74 -0.54 -0.30 1.61 1.04 -1.26 -5.16 113.70 105.36 2k27 s SER 153 Ca 0.29 0.02 0.01 0.00 0.48 0.00 0.00 55.95 56.75 2k27 s SER 153 Cb -0.01 0.56 0.19 0.00 0.10 0.00 0.00 66.02 66.87 2k27 s SER 153 CO -0.00 -0.90 0.61 -2.28 0.98 0.00 0.00 173.24 171.64 2k27 s HIS 154 N -3.59 -1.67 -0.45 5.02 2.46 -1.26 -5.08 115.29 110.73 2k27 s HIS 154 Ca 0.01 1.48 0.09 0.00 0.47 0.00 0.00 55.06 57.11 2k27 s HIS 154 Cb -0.01 0.48 0.32 0.00 -0.13 0.00 0.00 32.58 33.24 2k27 s HIS 154 CO -0.12 -0.93 0.76 0.72 -2.47 0.00 0.00 174.74 172.70 2k27 n HIS 155 N 5.42 1.43 -4.86 3.88 8.25 -1.26 -5.09 115.22 123.00 2k27 n HIS 155 Ca 0.01 -3.86 -0.26 0.00 -0.26 0.00 0.00 57.72 53.35 2k27 n HIS 155 Cb 0.52 -0.44 -0.15 0.00 1.12 0.00 0.00 29.99 31.04 2k27 n HIS 155 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2k27 s HIS 156 N -2.53 1.75 0.13 4.41 3.76 -1.26 -5.14 115.29 116.41 2k27 s HIS 156 Ca 0.42 -0.34 -0.26 0.00 -0.15 0.00 0.00 55.06 54.73 2k27 s HIS 156 Cb 0.29 -1.10 0.07 0.00 1.11 0.00 0.00 32.58 32.94 2k27 s HIS 156 CO -0.09 0.00 0.92 -3.38 -0.85 0.00 0.00 174.74 171.34 2k27 s HIS 157 N -0.55 -0.19 0.51 1.40 -3.43 -1.26 -5.18 115.29 106.59 2k27 s HIS 157 Ca 0.07 -0.08 0.08 0.00 -0.80 0.00 0.00 55.06 54.33 2k27 s HIS 157 Cb -0.08 0.62 0.05 0.00 -1.43 0.00 0.00 32.58 31.74 2k27 s HIS 157 CO -0.00 -0.79 0.70 -3.38 -2.00 0.00 0.00 174.74 169.27 2k27 s HIS 158 N -3.30 2.17 -2.46 0.38 -3.43 -1.26 -5.35 115.29 102.05 2k27 s HIS 158 Ca 0.10 -0.50 0.28 0.00 -0.80 0.00 0.00 55.06 54.15 2k27 s HIS 158 Cb -0.01 -2.38 1.13 0.00 -1.43 0.00 0.00 32.58 29.89 2k27 s HIS 158 CO -0.00 -0.83 1.79 0.72 -2.00 0.00 0.00 174.74 174.41