#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 4.43 0.12 0.03 0.04 -1.26 -5.04 135.00 133.32 2k27 s PRO 2 Ca 0.00 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.07 2k27 s PRO 2 Cb 0.00 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.32 2k27 s PRO 2 CO 0.00 -0.17 -0.01 -1.01 0.04 0.00 0.00 177.00 175.86 2k27 s HIS 3 N -0.24 0.89 0.04 0.56 3.76 -1.26 -5.09 115.29 113.95 2k27 s HIS 3 Ca 0.54 -1.07 -0.30 0.00 -0.15 0.00 0.00 55.06 54.08 2k27 s HIS 3 Cb -0.36 -0.53 -0.17 0.00 1.11 0.00 0.00 32.58 32.63 2k27 s HIS 3 CO 0.40 -0.32 1.36 -0.91 -0.85 0.00 0.00 174.74 174.43 2k27 h ASN 4 N 2.90 -0.72 -3.22 1.40 2.35 -2.08 -3.49 115.58 112.72 2k27 h ASN 4 Ca -0.35 -0.02 0.28 0.00 -0.55 0.00 0.00 56.30 55.66 2k27 h ASN 4 Cb 1.18 0.19 -0.07 0.00 0.05 0.00 0.00 38.32 39.67 2k27 h ASN 4 CO 0.63 -0.41 -0.38 -1.20 -1.65 0.00 0.00 177.43 174.43 2k27 n SER 5 N -5.40 -6.71 -4.15 5.81 7.64 -1.26 -4.91 113.62 104.65 2k27 n SER 5 Ca -0.12 1.12 -0.29 0.00 1.01 0.00 0.00 58.87 60.59 2k27 n SER 5 Cb 0.36 -3.14 -0.06 0.00 -1.01 0.00 0.00 64.21 60.36 2k27 n SER 5 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2k27 n ILE 6 N -3.40 -1.99 -2.20 0.44 -5.35 -1.26 -4.96 119.36 100.63 2k27 n ILE 6 Ca 0.01 -0.51 -0.27 0.00 -0.27 0.00 0.00 62.75 61.71 2k27 n ILE 6 Cb 0.47 -1.79 0.05 0.00 -1.74 0.00 0.00 39.64 36.64 2k27 n ILE 6 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 2k27 s ARG 7 N -7.01 2.62 0.22 6.28 1.81 -1.26 -5.11 118.95 116.50 2k27 s ARG 7 Ca 0.02 0.02 -0.19 0.00 -1.72 0.00 0.00 55.73 53.86 2k27 s ARG 7 Cb -0.01 -2.17 0.03 0.00 -0.45 0.00 0.00 34.95 32.35 2k27 s ARG 7 CO 0.95 -0.99 0.58 0.45 -0.68 0.00 0.00 175.30 175.61 2k27 s SER 8 N -4.40 -0.28 -0.30 0.23 0.15 -1.26 -5.15 113.70 102.69 2k27 s SER 8 Ca 0.57 -0.50 -0.16 0.00 0.70 0.00 0.00 55.95 56.56 2k27 s SER 8 Cb -0.11 0.63 0.18 0.00 -1.71 0.00 0.00 66.02 65.01 2k27 s SER 8 CO 0.47 -1.14 1.17 -0.83 1.20 0.00 0.00 173.24 174.11 2k27 s GLY 9 N -2.89 -0.91 0.25 9.45 0.00 -1.26 -5.18 107.32 106.78 2k27 s GLY 9 Ca 0.10 2.31 -0.16 0.00 0.00 0.00 0.00 44.72 46.98 2k27 s GLY 9 CO -0.00 4.25 0.55 -2.38 0.00 0.00 0.00 173.10 175.52 2k27 s HIS 10 N 2.90 0.15 -0.17 1.90 -3.43 -1.26 -5.19 115.29 110.18 2k27 s HIS 10 Ca 0.31 -0.54 -0.33 0.00 -0.80 0.00 0.00 55.06 53.70 2k27 s HIS 10 Cb 0.01 0.36 0.14 0.00 -1.43 0.00 0.00 32.58 31.66 2k27 s HIS 10 CO -0.22 -1.06 1.16 0.20 -2.00 0.00 0.00 174.74 172.82 2k27 s GLY 11 N -2.97 -0.27 -0.79 -1.38 0.00 -1.26 -5.11 107.32 95.54 2k27 s GLY 11 Ca 0.18 1.70 -0.18 0.00 0.00 0.00 0.00 44.72 46.41 2k27 s GLY 11 CO 0.07 0.62 0.93 -0.32 0.00 0.00 0.00 173.10 174.40 2k27 s GLY 12 N -1.99 1.95 0.63 0.20 0.00 -1.26 -5.05 107.32 101.81 2k27 s GLY 12 Ca 0.08 -2.61 -0.17 0.00 0.00 0.00 0.00 44.72 42.01 2k27 s GLY 12 CO -0.05 1.77 1.18 1.08 0.00 0.00 0.00 173.10 177.08 2k27 s LEU 13 N 2.41 3.54 0.37 0.66 1.02 -1.26 -4.97 118.68 120.44 2k27 s LEU 13 Ca 0.23 2.27 -0.27 0.00 0.02 0.00 0.00 54.13 56.38 2k27 s LEU 13 Cb -0.12 -4.58 -0.09 0.00 0.02 0.00 0.00 46.19 41.41 2k27 s LEU 13 CO -0.03 -1.71 1.22 0.21 0.02 0.00 0.00 176.35 176.06 2k27 s ASN 14 N -1.93 6.66 0.09 2.29 3.84 -1.26 -4.96 114.94 119.66 2k27 s ASN 14 Ca 0.74 2.47 0.01 0.00 0.21 0.00 0.00 52.86 56.29 2k27 s ASN 14 Cb -0.27 -2.63 -0.25 0.00 -0.55 0.00 0.00 41.25 37.55 2k27 s ASN 14 CO 0.37 -0.59 1.17 1.56 -2.79 0.00 0.00 177.10 176.81 2k27 h GLN 15 N 3.01 0.16 -5.51 0.43 1.08 -2.06 -3.49 115.11 108.73 2k27 h GLN 15 Ca -0.49 -0.27 -0.05 0.00 -1.45 0.00 0.00 58.65 56.39 2k27 h GLN 15 Cb 1.23 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.76 2k27 h GLN 15 CO 0.64 1.11 -0.16 -0.11 -0.95 0.00 0.00 178.83 179.36 2k27 n LEU 16 N -3.45 -6.40 -3.42 1.46 7.94 -1.26 -4.87 117.00 107.00 2k27 n LEU 16 Ca -0.06 -0.10 -0.40 0.00 -1.11 0.00 0.00 56.01 54.34 2k27 n LEU 16 Cb 0.99 -3.15 -0.02 0.00 0.53 0.00 0.00 43.42 41.77 2k27 n LEU 16 CO 0.51 -1.09 3.19 0.61 -1.11 0.00 0.00 177.39 179.50 2k27 n GLY 17 N -1.61 4.33 0.00 -3.96 0.00 -1.26 -3.70 105.19 98.99 2k27 n GLY 17 Ca -0.02 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.45 2k27 n GLY 17 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k27 n GLY 18 N 3.63 0.00 2.65 -0.02 0.00 -1.26 -5.06 105.19 105.13 2k27 n GLY 18 Ca 0.71 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.32 2k27 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k27 n ALA 19 N 0.00 6.03 -3.52 4.61 0.00 -1.24 -4.79 120.51 121.59 2k27 n ALA 19 Ca 0.00 -3.93 -0.06 0.00 0.00 0.00 0.00 53.44 49.45 2k27 n ALA 19 Cb 0.00 -3.31 -0.07 0.00 0.00 0.00 0.00 19.45 16.06 2k27 n ALA 19 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 2k27 s PHE 20 N 1.96 -0.96 0.14 0.00 5.36 -1.26 -5.03 117.98 118.19 2k27 s PHE 20 Ca 0.50 1.46 -0.24 0.00 -0.96 0.00 0.00 56.93 57.69 2k27 s PHE 20 Cb 0.14 0.32 0.07 0.00 -0.34 0.00 0.00 43.02 43.21 2k27 s PHE 20 CO -0.06 -0.61 0.71 0.54 -1.46 0.00 0.00 175.22 174.33 2k27 s VAL 21 N 2.66 0.00 -0.47 3.12 0.11 -1.26 -5.05 120.40 119.51 2k27 s VAL 21 Ca 0.04 -0.18 -0.26 0.00 -2.93 0.00 0.00 61.98 58.65 2k27 s VAL 21 Cb -0.13 -1.20 -0.06 0.00 -1.53 0.00 0.00 36.38 33.45 2k27 s VAL 21 CO -0.15 0.00 2.36 0.21 -3.33 0.00 0.00 175.10 174.18 2k27 s ASN 22 N -2.72 4.59 0.00 3.54 2.47 -1.26 -1.21 114.94 120.36 2k27 s ASN 22 Ca 0.04 1.13 0.00 0.00 0.42 0.00 0.00 52.86 54.45 2k27 s ASN 22 Cb -0.02 -2.50 0.00 0.00 -1.45 0.00 0.00 41.25 37.28 2k27 s ASN 22 CO -0.08 -2.75 0.00 0.61 -3.72 0.00 0.00 177.10 171.15 2k27 n GLY 23 N 5.96 3.99 3.77 1.21 0.00 -1.26 -5.14 105.19 113.72 2k27 n GLY 23 Ca 0.35 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.41 2k27 n GLY 23 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k27 s ARG 24 N 0.00 3.21 0.93 1.61 1.81 -0.35 -5.04 118.95 121.12 2k27 s ARG 24 Ca 0.00 1.69 -0.12 0.00 -1.72 0.00 0.00 55.73 55.58 2k27 s ARG 24 Cb 0.00 -1.98 0.15 0.00 -0.45 0.00 0.00 34.95 32.67 2k27 s ARG 24 CO 0.00 -0.98 1.09 -1.25 -0.68 0.00 0.00 175.30 173.48 2k27 s PRO 25 N -3.31 1.02 -0.72 3.54 0.04 -1.26 -4.89 135.00 129.43 2k27 s PRO 25 Ca 0.74 0.71 0.04 0.00 0.04 0.00 0.00 61.00 62.53 2k27 s PRO 25 Cb -0.26 -1.79 0.26 0.00 0.04 0.00 0.00 34.50 32.74 2k27 s PRO 25 CO 0.29 -2.37 0.87 1.28 0.04 0.00 0.00 177.00 177.11 2k27 n LEU 26 N -3.96 4.24 0.00 -3.56 7.99 -1.26 -4.98 117.00 115.47 2k27 n LEU 26 Ca 0.06 -5.40 -0.07 0.00 -0.01 0.00 0.00 56.01 50.59 2k27 n LEU 26 Cb 0.56 -0.78 0.06 0.00 -0.11 0.00 0.00 43.42 43.14 2k27 n LEU 26 CO 0.56 1.98 0.19 -0.81 -1.51 0.00 0.00 177.39 177.80 2k27 n PRO 27 N 0.97 -0.89 -0.32 3.23 -0.04 -1.26 -4.85 135.00 131.84 2k27 n PRO 27 Ca 0.29 -0.47 0.20 0.00 -0.04 0.00 0.00 63.50 63.47 2k27 n PRO 27 Cb 0.39 -0.37 0.38 0.00 -0.04 0.00 0.00 33.50 33.87 2k27 n PRO 27 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2k27 h GLU 28 N 0.00 0.08 -0.53 0.54 4.81 -2.02 -2.03 114.58 115.44 2k27 h GLU 28 Ca -0.10 -0.00 0.15 0.00 -0.13 0.00 0.00 59.36 59.27 2k27 h GLU 28 Cb 0.30 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2k27 h GLU 28 CO 0.07 0.05 0.55 -0.24 -0.73 0.00 0.00 179.01 178.72 2k27 h VAL 29 N 0.08 0.34 -0.86 0.32 3.04 -1.98 -1.04 116.25 116.14 2k27 h VAL 29 Ca 0.66 0.00 0.21 0.00 -1.01 0.00 0.00 66.70 66.56 2k27 h VAL 29 Cb 1.51 0.56 -0.06 0.00 -2.01 0.00 0.00 31.29 31.29 2k27 h VAL 29 CO -0.79 0.00 0.59 1.62 -1.01 0.00 0.00 177.57 177.98 2k27 h VAL 30 N 0.00 0.66 -1.00 1.51 3.04 -1.69 -1.44 116.25 117.33 2k27 h VAL 30 Ca 0.25 -0.10 0.19 0.00 -1.01 0.00 0.00 66.70 66.03 2k27 h VAL 30 Cb 1.36 0.35 -0.10 0.00 -2.01 0.00 0.00 31.29 30.88 2k27 h VAL 30 CO -0.00 0.05 0.61 0.08 -1.01 0.00 0.00 177.57 177.30 2k27 h ARG 31 N 0.28 0.72 -0.73 4.17 -0.00 -1.43 0.18 114.38 117.58 2k27 h ARG 31 Ca 0.44 -0.04 -0.03 0.00 -0.00 0.00 0.00 59.98 60.35 2k27 h ARG 31 Cb 1.27 -0.16 -0.03 0.00 -0.00 0.00 0.00 29.97 31.04 2k27 h ARG 31 CO -0.12 0.47 0.35 1.96 -0.00 0.00 0.00 179.97 182.63 2k27 h GLN 32 N 0.74 1.04 -0.47 0.08 1.08 -1.49 -0.69 115.11 115.40 2k27 h GLN 32 Ca 0.57 -0.14 -0.13 0.00 -1.45 0.00 0.00 58.65 57.50 2k27 h GLN 32 Cb 0.92 -0.19 -0.01 0.00 -0.05 0.00 0.00 27.48 28.14 2k27 h GLN 32 CO -0.36 0.80 -0.21 0.00 -0.95 0.00 0.00 178.83 178.12 2k27 h ARG 33 N 1.03 0.97 -0.07 1.46 2.47 -0.79 -0.41 114.38 119.04 2k27 h ARG 33 Ca 0.25 -0.41 0.00 0.00 -1.26 0.00 0.00 59.98 58.56 2k27 h ARG 33 Cb 0.11 -0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.39 2k27 h ARG 33 CO -0.03 1.08 0.04 0.82 0.56 0.00 0.00 179.97 182.44 2k27 h ILE 34 N 0.81 1.04 -0.07 2.04 1.08 -0.74 -1.07 117.51 120.60 2k27 h ILE 34 Ca 0.11 -0.10 0.03 0.00 -0.39 0.00 0.00 64.86 64.51 2k27 h ILE 34 Cb 0.78 0.99 -0.04 0.00 -3.07 0.00 0.00 36.82 35.48 2k27 h ILE 34 CO 0.06 0.03 -0.13 0.58 -0.69 0.00 0.00 178.15 178.01 2k27 h VAL 35 N 0.06 0.66 0.10 1.67 2.07 -1.06 0.07 116.25 119.83 2k27 h VAL 35 Ca 0.02 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.56 2k27 h VAL 35 Cb 0.02 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 2k27 h VAL 35 CO -0.00 0.00 -0.17 -0.78 0.02 0.00 0.00 177.57 176.64 2k27 h ASP 36 N -0.18 -0.46 0.01 0.57 3.58 -0.90 -0.71 116.42 118.33 2k27 h ASP 36 Ca 0.07 0.05 -0.00 0.00 0.42 0.00 0.00 57.03 57.57 2k27 h ASP 36 Cb 0.28 0.17 0.00 0.00 1.72 0.00 0.00 39.33 41.50 2k27 h ASP 36 CO -0.18 -0.24 -0.01 0.25 -2.88 0.00 0.00 179.24 176.18 2k27 h LEU 37 N -0.33 -0.01 -1.90 2.28 5.85 -1.12 -3.01 115.31 117.07 2k27 h LEU 37 Ca 0.02 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.55 2k27 h LEU 37 Cb 0.34 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 2k27 h LEU 37 CO -0.09 0.24 0.18 0.00 -0.34 0.00 0.00 178.44 178.43 2k27 h ALA 38 N 0.72 2.08 -0.75 1.25 0.00 -0.89 -2.88 119.26 118.79 2k27 h ALA 38 Ca -0.00 -0.01 0.12 0.00 0.00 0.00 0.00 54.91 55.02 2k27 h ALA 38 Cb 0.26 -0.02 -0.08 0.00 0.00 0.00 0.00 17.79 17.94 2k27 h ALA 38 CO 0.00 -0.14 0.35 1.25 0.00 0.00 0.00 179.25 180.71 2k27 h HIS 39 N 0.13 0.61 0.00 0.00 -0.00 -0.98 -0.46 115.15 114.45 2k27 h HIS 39 Ca 0.12 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.52 2k27 h HIS 39 Cb 0.30 -0.16 0.00 0.00 -0.00 0.00 0.00 27.41 27.55 2k27 h HIS 39 CO -0.00 0.17 0.00 -0.56 -0.00 0.00 0.00 177.93 177.54 2k27 h GLN 40 N 0.55 0.00 -1.38 5.26 3.07 -1.64 -3.47 115.11 117.50 2k27 h GLN 40 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.13 2k27 h GLN 40 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.06 2k27 h GLN 40 CO -0.33 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.00 2k27 n GLY 41 N 0.13 0.59 3.71 0.06 0.00 -0.18 -5.05 105.19 104.45 2k27 n GLY 41 Ca 0.01 -0.35 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.32 4.11 0.50 1.61 1.01 -1.26 -5.02 120.40 119.03 2k27 s VAL 42 Ca 0.00 1.51 -0.22 0.00 0.00 0.00 0.00 61.98 63.27 2k27 s VAL 42 Cb 0.00 -3.97 -0.06 0.00 0.00 0.00 0.00 36.38 32.35 2k27 s VAL 42 CO 0.00 0.10 1.21 -0.13 0.00 0.00 0.00 175.10 176.28 2k27 s ARG 43 N 1.19 3.49 0.24 2.72 1.81 -1.26 -4.84 118.95 122.31 2k27 s ARG 43 Ca 0.58 1.86 -0.05 0.00 -1.72 0.00 0.00 55.73 56.40 2k27 s ARG 43 Cb -0.28 -2.27 0.35 0.00 -0.45 0.00 0.00 34.95 32.30 2k27 s ARG 43 CO 0.28 -0.80 1.84 -1.00 -0.68 0.00 0.00 175.30 174.94 2k27 h PRO 44 N 1.69 0.88 0.00 3.54 0.13 -2.00 0.73 132.00 136.97 2k27 h PRO 44 Ca -0.50 -0.05 -0.02 0.00 -0.87 0.00 0.00 66.00 64.56 2k27 h PRO 44 Cb 1.27 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 2k27 h PRO 44 CO 0.59 0.58 -0.07 0.00 -0.23 0.00 0.00 178.00 178.86 2k27 h ASP 46 N 0.00 0.11 -0.58 0.00 3.58 -1.27 -3.26 116.42 115.00 2k27 h ASP 46 Ca -0.00 -0.18 0.11 0.00 0.42 0.00 0.00 57.03 57.38 2k27 h ASP 46 Cb 0.14 -0.04 -0.08 0.00 1.72 0.00 0.00 39.33 41.07 2k27 h ASP 46 CO 0.01 1.15 0.11 0.40 -2.88 0.00 0.00 179.24 178.04 2k27 h ILE 47 N 0.02 0.64 -0.82 2.25 2.04 -1.15 -1.07 117.51 119.42 2k27 h ILE 47 Ca -0.21 -0.08 0.15 0.00 1.00 0.00 0.00 64.86 65.71 2k27 h ILE 47 Cb 1.95 0.38 -0.09 0.00 -0.74 0.00 0.00 36.82 38.32 2k27 h ILE 47 CO 0.11 0.04 0.40 0.28 0.00 0.00 0.00 178.15 178.98 2k27 h SER 48 N 0.24 0.45 0.43 1.72 0.02 -1.60 -1.74 113.55 113.07 2k27 h SER 48 Ca 0.31 0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.33 2k27 h SER 48 Cb 0.45 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.03 2k27 h SER 48 CO -0.40 0.18 -0.21 0.03 -1.14 0.00 0.00 176.83 175.30 2k27 h ARG 49 N 0.57 -0.55 -0.21 3.45 3.08 -1.28 -0.15 114.38 119.28 2k27 h ARG 49 Ca 0.45 0.04 0.01 0.00 0.07 0.00 0.00 59.98 60.55 2k27 h ARG 49 Cb 0.65 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.82 2k27 h ARG 49 CO -0.38 -0.25 0.14 1.96 -1.07 0.00 0.00 179.97 180.38 2k27 h GLN 50 N -0.92 0.22 0.00 0.04 4.20 -1.03 -1.25 115.11 116.36 2k27 h GLN 50 Ca -0.06 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2k27 h GLN 50 Cb 0.56 -0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.29 2k27 h GLN 50 CO 0.10 0.15 -0.87 1.28 -0.67 0.00 0.00 178.83 178.82 2k27 n LEU 51 N -4.51 0.63 -3.12 1.46 7.99 -0.68 -5.01 117.00 113.77 2k27 n LEU 51 Ca 0.00 -0.01 -0.10 0.00 -0.01 0.00 0.00 56.01 55.90 2k27 n LEU 51 Cb 0.12 -0.13 0.04 0.00 -0.11 0.00 0.00 43.42 43.34 2k27 n LEU 51 CO 0.35 0.06 0.13 0.54 -1.51 0.00 0.00 177.39 176.95 2k27 n ARG 52 N -1.87 -1.86 -4.04 3.23 3.00 -0.38 -5.06 116.66 109.68 2k27 n ARG 52 Ca 0.03 1.04 -0.16 0.00 -0.01 0.00 0.00 57.85 58.74 2k27 n ARG 52 Cb 0.41 -5.64 -0.05 0.00 0.00 0.00 0.00 32.46 27.18 2k27 n ARG 52 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2k27 n VAL 53 N -2.69 0.00 0.00 1.55 0.24 -0.21 -5.04 118.33 112.18 2k27 n VAL 53 Ca -0.04 -2.03 0.00 0.00 -2.04 0.00 0.00 64.34 60.23 2k27 n VAL 53 Cb 0.58 1.12 0.00 0.00 -1.47 0.00 0.00 33.84 34.07 2k27 n VAL 53 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2k27 n SER 54 N -1.68 0.00 0.00 -1.34 7.64 -1.26 -4.51 113.62 112.47 2k27 n SER 54 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.92 2k27 n SER 54 Cb 0.58 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 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 -2.15 -0.19 -0.16 1.43 1.44 -1.26 -4.83 115.22 109.50 2k27 n HIS 55 Ca 0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.67 2k27 n HIS 55 Cb 0.00 0.04 0.05 0.00 0.12 0.00 0.00 29.99 30.20 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 0.69 1.55 -1.39 0.00 -2.01 -2.07 103.07 99.84 2k27 h GLY 56 Ca 0.00 -0.17 -0.20 0.00 0.00 0.00 0.00 47.33 46.96 2k27 h GLY 56 CO 0.00 0.10 -0.83 0.00 0.00 0.00 0.00 176.54 175.81 2k27 h VAL 58 N 0.26 0.76 -0.38 0.00 2.07 -1.73 -0.95 116.25 116.28 2k27 h VAL 58 Ca -0.05 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.30 2k27 h VAL 58 Cb 1.44 0.09 -0.07 0.00 -1.52 0.00 0.00 31.29 31.23 2k27 h VAL 58 CO 0.14 0.11 -0.50 -1.28 0.02 0.00 0.00 177.57 176.07 2k27 h SER 59 N 0.61 -1.66 0.46 0.57 0.87 -1.43 0.44 113.55 113.41 2k27 h SER 59 Ca 0.43 0.22 -0.11 0.00 -1.23 0.00 0.00 61.79 61.09 2k27 h SER 59 Cb 0.57 0.68 -0.01 0.00 -0.44 0.00 0.00 62.40 63.20 2k27 h SER 59 CO -0.34 -0.35 -0.52 0.07 -0.53 0.00 0.00 176.83 175.16 2k27 h LYS 60 N -0.34 0.07 -0.68 2.24 2.10 -1.57 -2.49 116.57 115.89 2k27 h LYS 60 Ca 0.07 -0.04 -0.04 0.00 -2.00 0.00 0.00 60.65 58.64 2k27 h LYS 60 Cb 0.52 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.82 2k27 h LYS 60 CO -0.54 0.57 0.27 0.82 -2.00 0.00 0.00 179.45 178.57 2k27 h ILE 61 N 0.05 1.23 0.00 0.07 2.04 -0.67 -1.05 117.51 119.19 2k27 h ILE 61 Ca -0.00 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.13 2k27 h ILE 61 Cb 0.94 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2k27 h ILE 61 CO 0.07 0.29 0.00 0.18 0.00 0.00 0.00 178.15 178.70 2k27 n LEU 62 N -4.30 0.00 -1.91 1.44 7.99 0.10 -4.85 117.00 115.47 2k27 n LEU 62 Ca 0.06 0.04 -0.07 0.00 -0.01 0.00 0.00 56.01 56.03 2k27 n LEU 62 Cb 0.17 -0.04 0.03 0.00 -0.11 0.00 0.00 43.42 43.48 2k27 n LEU 62 CO 0.40 -0.01 0.05 0.61 -1.51 0.00 0.00 177.39 176.93 2k27 n GLY 63 N 0.55 0.17 0.28 -0.72 0.00 -0.40 -4.74 105.19 100.33 2k27 n GLY 63 Ca 0.17 -0.26 0.15 0.00 0.00 0.00 0.00 46.02 46.08 2k27 n GLY 63 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2k27 h ARG 64 N -0.80 0.00 0.00 1.61 -0.00 -1.63 -0.26 114.38 113.31 2k27 h ARG 64 Ca -0.23 0.00 -0.02 0.00 -0.00 0.00 0.00 59.98 59.73 2k27 h ARG 64 Cb 1.13 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 31.10 2k27 h ARG 64 CO 0.20 0.00 -0.08 1.88 -0.00 0.00 0.00 179.97 181.97 2k27 h TYR 65 N 0.00 0.00 0.00 4.08 0.05 -1.90 -3.35 116.97 115.85 2k27 h TYR 65 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2k27 h TYR 65 Cb 0.37 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.11 2k27 h TYR 65 CO 0.00 0.08 -0.84 0.66 -1.05 0.00 0.00 178.16 177.01 2k27 n TYR 66 N -3.62 0.00 -0.64 4.88 4.01 -0.60 -5.08 117.16 116.10 2k27 n TYR 66 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2k27 n TYR 66 Cb 0.20 0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.28 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 -1.69 -0.24 -0.72 1.02 -0.21 -3.88 120.64 112.21 2k27 n GLU 67 Ca 0.00 1.31 0.09 0.00 -0.02 0.00 0.00 57.16 58.55 2k27 n GLU 67 Cb 0.42 -1.64 0.36 0.00 -0.02 0.00 0.00 31.44 30.56 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 0.09 0.92 -0.05 2.62 1.35 -1.85 -1.48 112.91 114.51 2k27 h THR 68 Ca 0.00 -0.25 0.02 0.00 -0.55 0.00 0.00 66.41 65.62 2k27 h THR 68 Cb 0.38 0.11 -0.00 0.00 -1.73 0.00 0.00 68.15 66.91 2k27 h THR 68 CO 0.00 0.14 0.04 1.23 -0.25 0.00 0.00 175.52 176.68 2k27 h GLY 69 N 0.74 0.00 -5.60 5.82 0.00 -2.00 -3.35 103.07 98.68 2k27 h GLY 69 Ca 0.40 0.00 -0.41 0.00 0.00 0.00 0.00 47.33 47.32 2k27 h GLY 69 CO -0.16 0.00 -0.82 -1.14 0.00 0.00 0.00 176.54 174.41 2k27 n SER 70 N -4.40 -1.30 -3.94 0.19 3.41 -0.58 -5.03 113.62 101.97 2k27 n SER 70 Ca -0.02 -2.90 -0.41 0.00 -0.26 0.00 0.00 58.87 55.28 2k27 n SER 70 Cb 0.14 0.45 -0.02 0.00 -0.26 0.00 0.00 64.21 64.53 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 1.77 3.10 -3.61 -1.33 2.08 -1.08 -4.36 119.36 115.93 2k27 n ILE 71 Ca 0.17 -2.86 -0.25 0.00 0.56 0.00 0.00 62.75 60.37 2k27 n ILE 71 Cb 0.56 -2.47 0.03 0.00 -0.75 0.00 0.00 39.64 37.01 2k27 n ILE 71 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2k27 n ARG 72 N 6.90 -1.26 -1.92 0.38 5.12 -1.26 -4.82 116.66 119.80 2k27 n ARG 72 Ca 0.50 0.68 -0.42 0.00 -1.93 0.00 0.00 57.85 56.69 2k27 n ARG 72 Cb 0.41 -3.96 -0.00 0.00 -1.16 0.00 0.00 32.46 27.75 2k27 n ARG 72 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 2k27 n PRO 73 N -3.48 2.83 -1.44 5.56 -0.04 -1.26 -4.82 135.00 132.34 2k27 n PRO 73 Ca -0.12 -2.72 -0.36 0.00 -0.04 0.00 0.00 63.50 60.25 2k27 n PRO 73 Cb 0.60 -3.33 -0.04 0.00 -0.04 0.00 0.00 33.50 30.69 2k27 n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k27 n GLY 74 N 4.49 4.35 1.87 0.55 0.00 -1.26 -3.89 105.19 111.30 2k27 n GLY 74 Ca 0.51 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2k27 n GLY 74 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k27 n VAL 75 N 2.97 0.08 -1.57 1.61 0.24 -1.26 -5.18 118.33 115.22 2k27 n VAL 75 Ca 0.71 0.03 0.01 0.00 -2.04 0.00 0.00 64.34 63.04 2k27 n VAL 75 Cb 0.31 -0.64 -0.00 0.00 -1.47 0.00 0.00 33.84 32.04 2k27 n VAL 75 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 2k27 n ILE 76 N -3.00 -2.85 -2.18 1.34 5.41 -1.25 -5.12 119.36 111.72 2k27 n ILE 76 Ca 0.00 1.44 0.00 0.00 1.00 0.00 0.00 62.75 65.19 2k27 n ILE 76 Cb 0.04 -2.39 0.00 0.00 -0.71 0.00 0.00 39.64 36.57 2k27 n ILE 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2k27 n GLY 77 N -2.67 -0.60 1.93 7.39 0.00 -1.26 -5.09 105.19 104.89 2k27 n GLY 77 Ca -0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 46.02 45.35 2k27 n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k27 n GLY 78 N 0.00 -0.29 2.75 -0.02 0.00 -1.26 -5.08 105.19 101.29 2k27 n GLY 78 Ca 0.00 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.81 2k27 n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k27 s SER 79 N -2.51 1.56 -0.50 1.61 1.04 -1.26 -5.07 113.70 108.56 2k27 s SER 79 Ca 0.04 -0.45 0.06 0.00 0.48 0.00 0.00 55.95 56.08 2k27 s SER 79 Cb -0.00 0.42 0.21 0.00 0.10 0.00 0.00 66.02 66.75 2k27 s SER 79 CO 0.20 -0.35 0.51 1.17 0.98 0.00 0.00 173.24 175.74 2k27 n LYS 80 N 5.31 1.08 -1.35 4.02 3.00 -1.26 -5.12 118.16 123.84 2k27 n LYS 80 Ca -0.04 -3.69 -0.30 0.00 -0.00 0.00 0.00 58.31 54.27 2k27 n LYS 80 Cb 0.48 -1.73 0.23 0.00 0.00 0.00 0.00 35.03 34.01 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 -1.10 -0.73 -0.28 1.64 0.04 -1.26 -5.10 135.00 128.20 2k27 s PRO 81 Ca 0.34 -0.22 -0.18 0.00 0.04 0.00 0.00 61.00 60.98 2k27 s PRO 81 Cb 0.09 -1.67 0.10 0.00 0.04 0.00 0.00 34.50 33.07 2k27 s PRO 81 CO -0.13 -3.36 0.81 0.21 0.04 0.00 0.00 177.00 174.58 2k27 s LYS 82 N -5.59 0.61 0.04 4.56 2.47 -1.26 -5.10 119.74 115.47 2k27 s LYS 82 Ca 0.72 0.97 -0.03 0.00 -1.56 0.00 0.00 55.97 56.07 2k27 s LYS 82 Cb -0.07 0.17 -0.02 0.00 -1.46 0.00 0.00 37.83 36.45 2k27 s LYS 82 CO 0.55 -0.11 0.04 0.54 0.16 0.00 0.00 175.35 176.53 2k27 s VAL 83 N 1.21 0.15 0.66 4.02 0.11 -1.26 -5.01 120.40 120.28 2k27 s VAL 83 Ca -0.07 -1.20 -0.16 0.00 -2.93 0.00 0.00 61.98 57.62 2k27 s VAL 83 Cb -0.05 -0.88 0.00 0.00 -1.53 0.00 0.00 36.38 33.93 2k27 s VAL 83 CO -0.14 -0.66 1.16 0.00 -3.33 0.00 0.00 175.10 172.13 2k27 s ALA 84 N -2.62 2.37 -0.17 1.54 0.00 -1.26 -4.81 121.76 116.81 2k27 s ALA 84 Ca -0.05 0.77 -0.19 0.00 0.00 0.00 0.00 51.96 52.48 2k27 s ALA 84 Cb -0.01 -3.40 0.05 0.00 0.00 0.00 0.00 23.12 19.76 2k27 s ALA 84 CO -0.05 -1.43 0.53 -0.08 0.00 0.00 0.00 175.76 174.73 2k27 s THR 85 N -2.04 0.00 0.10 0.00 -1.32 -1.26 -5.02 115.64 106.09 2k27 s THR 85 Ca 0.72 -0.04 0.33 0.00 -1.21 0.00 0.00 61.69 61.49 2k27 s THR 85 Cb -0.25 -0.75 0.36 0.00 -1.51 0.00 0.00 72.50 70.34 2k27 s THR 85 CO 0.40 -0.02 2.00 1.55 -2.21 0.00 0.00 174.62 176.34 2k27 h PRO 86 N 5.01 0.00 0.00 7.08 0.13 -2.01 -2.86 132.00 139.35 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 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2k27 h PRO 86 CO 0.20 0.00 0.00 1.17 -0.23 0.00 0.00 178.00 179.14 2k27 n LYS 87 N -2.84 0.11 -0.31 0.86 4.81 -1.26 -1.33 118.16 118.20 2k27 n LYS 87 Ca -0.00 0.54 0.14 0.00 -0.87 0.00 0.00 58.31 58.12 2k27 n LYS 87 Cb 0.21 -1.82 0.33 0.00 0.02 0.00 0.00 35.03 33.76 2k27 n LYS 87 CO 0.00 0.00 0.00 0.28 1.17 0.00 0.00 177.40 178.85 2k27 h VAL 88 N 0.00 0.49 -0.73 3.15 2.07 -1.94 -1.72 116.25 117.58 2k27 h VAL 88 Ca 0.00 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.39 2k27 h VAL 88 Cb 0.09 0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 29.83 2k27 h VAL 88 CO 0.00 0.08 0.47 0.58 0.02 0.00 0.00 177.57 178.72 2k27 h VAL 89 N 0.44 1.13 -0.64 2.57 2.07 -1.48 0.55 116.25 120.90 2k27 h VAL 89 Ca 0.58 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.77 2k27 h VAL 89 Cb 1.11 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.97 2k27 h VAL 89 CO -0.52 0.17 0.37 -0.33 0.02 0.00 0.00 177.57 177.28 2k27 h GLU 90 N 0.93 0.88 -0.64 1.57 5.08 -1.52 -2.38 114.58 118.49 2k27 h GLU 90 Ca 0.28 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 2k27 h GLU 90 Cb -0.03 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.01 2k27 h GLU 90 CO -0.09 0.65 0.36 0.87 -1.00 0.00 0.00 179.01 179.79 2k27 h LYS 91 N 0.87 0.88 -0.25 2.33 1.79 -0.45 -0.59 116.57 121.14 2k27 h LYS 91 Ca 0.23 -0.09 0.04 0.00 -2.18 0.00 0.00 60.65 58.65 2k27 h LYS 91 Cb 0.01 -0.18 -0.04 0.00 -1.58 0.00 0.00 32.23 30.44 2k27 h LYS 91 CO -0.04 0.64 0.02 0.82 -1.08 0.00 0.00 179.45 179.81 2k27 h ILE 92 N 0.89 0.85 -0.40 1.86 1.08 -0.51 0.80 117.51 122.08 2k27 h ILE 92 Ca 0.23 -0.04 0.08 0.00 -0.39 0.00 0.00 64.86 64.74 2k27 h ILE 92 Cb 0.01 0.73 -0.09 0.00 -3.07 0.00 0.00 36.82 34.40 2k27 h ILE 92 CO -0.04 0.02 -0.35 1.23 -0.69 0.00 0.00 178.15 178.32 2k27 h GLY 93 N 0.10 -0.33 0.94 5.37 0.00 -0.73 0.55 103.07 108.97 2k27 h GLY 93 Ca 0.12 0.45 0.01 0.00 0.00 0.00 0.00 47.33 47.91 2k27 h GLY 93 CO -0.18 -0.20 0.18 -0.55 0.00 0.00 0.00 176.54 175.79 2k27 h ASP 94 N -0.28 0.30 0.94 0.19 3.32 -0.92 -2.79 116.42 117.18 2k27 h ASP 94 Ca 0.16 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 2k27 h ASP 94 Cb 0.55 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 40.04 2k27 h ASP 94 CO -0.55 0.22 -0.06 1.88 -1.72 0.00 0.00 179.24 179.01 2k27 h TYR 95 N 0.38 0.00 -0.28 4.55 0.05 -0.16 0.11 116.97 121.62 2k27 h TYR 95 Ca 0.12 0.00 -0.14 0.00 0.05 0.00 0.00 58.73 58.76 2k27 h TYR 95 Cb -0.01 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.73 2k27 h TYR 95 CO -0.07 0.06 -0.36 0.87 -1.05 0.00 0.00 178.16 177.60 2k27 h LYS 96 N 0.00 0.75 -0.44 4.88 1.79 -0.70 0.15 116.57 123.00 2k27 h LYS 96 Ca -0.00 -0.42 -0.04 0.00 -2.18 0.00 0.00 60.65 58.00 2k27 h LYS 96 Cb 0.54 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.20 2k27 h LYS 96 CO 0.01 1.05 0.11 0.00 -1.08 0.00 0.00 179.45 179.53 2k27 h ARG 97 N 0.49 0.70 0.01 3.15 3.08 -1.02 -2.26 114.38 118.53 2k27 h ARG 97 Ca 0.04 -0.17 -0.00 0.00 0.07 0.00 0.00 59.98 59.92 2k27 h ARG 97 Cb 0.95 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.90 2k27 h ARG 97 CO 0.09 0.70 -0.00 1.96 -1.07 0.00 0.00 179.97 181.65 2k27 h GLN 98 N 0.58 -0.01 -2.68 0.04 1.08 -0.89 -3.40 115.11 109.82 2k27 h GLN 98 Ca 0.14 0.00 -0.62 0.00 -1.45 0.00 0.00 58.65 56.72 2k27 h GLN 98 Cb 0.32 0.00 -0.41 0.00 -0.05 0.00 0.00 27.48 27.33 2k27 h GLN 98 CO 0.00 0.82 -0.53 -1.71 -0.95 0.00 0.00 178.83 176.46 2k27 n ASN 99 N -4.68 3.51 0.00 1.46 5.15 0.54 -4.92 115.26 116.32 2k27 n ASN 99 Ca -0.09 -3.33 0.09 0.00 -0.60 0.00 0.00 54.58 50.65 2k27 n ASN 99 Cb 0.40 -0.74 0.43 0.00 -0.53 0.00 0.00 39.78 39.34 2k27 n ASN 99 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2k27 n PRO 100 N 1.44 0.21 0.40 1.20 -0.04 -0.85 -4.13 135.00 133.23 2k27 n PRO 100 Ca 0.25 0.13 -0.19 0.00 -0.04 0.00 0.00 63.50 63.65 2k27 n PRO 100 Cb 0.38 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.24 2k27 n PRO 100 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2k27 h THR 101 N 0.00 0.07 -1.69 0.52 1.35 -1.90 -3.46 112.91 107.80 2k27 h THR 101 Ca 0.00 0.00 -0.58 0.00 -0.55 0.00 0.00 66.41 65.28 2k27 h THR 101 Cb 0.19 0.07 -0.10 0.00 -1.73 0.00 0.00 68.15 66.58 2k27 h THR 101 CO 0.00 0.00 -0.54 -0.04 -0.25 0.00 0.00 175.52 174.69 2k27 s MET 102 N -5.96 2.15 0.71 4.72 -1.94 -1.26 -5.15 119.30 112.57 2k27 s MET 102 Ca -0.19 -1.86 0.00 0.00 -1.71 0.00 0.00 55.69 51.94 2k27 s MET 102 Cb 0.03 -1.92 0.12 0.00 2.01 0.00 0.00 34.83 35.08 2k27 s MET 102 CO 0.61 -0.04 0.98 0.12 -0.01 0.00 0.00 175.02 176.67 2k27 s PHE 103 N -2.59 1.56 0.38 -0.03 5.36 -1.26 -4.81 117.98 116.58 2k27 s PHE 103 Ca 0.38 -0.32 0.22 0.00 -0.96 0.00 0.00 56.93 56.25 2k27 s PHE 103 Cb 0.04 -2.92 1.32 0.00 -0.34 0.00 0.00 43.02 41.11 2k27 s PHE 103 CO 0.21 -1.67 1.60 0.00 -1.46 0.00 0.00 175.22 173.91 2k27 h ALA 104 N -0.47 2.25 -0.97 11.12 0.00 -1.97 0.22 119.26 129.45 2k27 h ALA 104 Ca -0.36 0.22 0.21 0.00 0.00 0.00 0.00 54.91 54.98 2k27 h ALA 104 Cb 1.27 0.27 -0.11 0.00 0.00 0.00 0.00 17.79 19.22 2k27 h ALA 104 CO 0.40 -0.98 0.55 -1.49 0.00 0.00 0.00 179.25 177.73 2k27 h TRP 105 N 0.08 0.95 0.15 0.00 -0.00 -1.93 -0.87 115.95 114.32 2k27 h TRP 105 Ca 0.83 0.04 -0.33 0.00 -0.00 0.00 0.00 58.89 59.42 2k27 h TRP 105 Cb 2.22 -0.27 0.00 0.00 -0.00 0.00 0.00 29.16 31.11 2k27 h TRP 105 CO -0.01 0.13 -1.69 1.49 -0.00 0.00 0.00 178.44 178.37 2k27 h GLU 106 N 0.63 0.32 -0.14 0.49 4.57 -1.31 -3.38 114.58 115.76 2k27 h GLU 106 Ca 0.58 -0.55 -0.01 0.00 -1.18 0.00 0.00 59.36 58.20 2k27 h GLU 106 Cb 0.99 0.20 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 2k27 h GLU 106 CO -0.43 1.26 0.03 0.82 -1.18 0.00 0.00 179.01 179.51 2k27 h ILE 107 N -0.04 1.08 -0.88 2.32 1.08 -1.08 0.10 117.51 120.09 2k27 h ILE 107 Ca -0.35 -0.27 0.18 0.00 -0.39 0.00 0.00 64.86 64.03 2k27 h ILE 107 Cb 1.97 0.94 -0.17 0.00 -3.07 0.00 0.00 36.82 36.50 2k27 h ILE 107 CO 0.12 0.09 -0.21 -1.14 -0.69 0.00 0.00 178.15 176.33 2k27 n ARG 108 N -4.45 -0.08 0.11 2.37 0.63 -0.38 -1.65 116.66 113.21 2k27 n ARG 108 Ca -0.01 1.37 0.02 0.00 -0.92 0.00 0.00 57.85 58.31 2k27 n ARG 108 Cb 0.13 -2.06 -0.01 0.00 0.45 0.00 0.00 32.46 30.97 2k27 n ARG 108 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2k27 h ASP 109 N 0.00 0.00 -0.77 6.15 3.32 -1.01 -3.19 116.42 120.92 2k27 h ASP 109 Ca 0.43 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.50 2k27 h ASP 109 Cb 0.67 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.18 2k27 h ASP 109 CO -0.90 0.54 0.51 0.03 -1.72 0.00 0.00 179.24 177.69 2k27 h ARG 110 N 0.00 0.96 -0.31 3.56 -0.00 -1.07 0.21 114.38 117.73 2k27 h ARG 110 Ca -0.04 -0.06 0.02 0.00 -0.50 0.00 0.00 59.98 59.39 2k27 h ARG 110 Cb 1.45 -0.22 -0.02 0.00 0.00 0.00 0.00 29.97 31.18 2k27 h ARG 110 CO 0.06 0.64 0.17 -0.07 0.00 0.00 0.00 179.97 180.77 2k27 h LEU 111 N 0.99 0.27 -0.62 3.04 3.38 -1.48 -1.79 115.31 119.11 2k27 h LEU 111 Ca 0.29 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 58.21 2k27 h LEU 111 Cb -0.04 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2k27 h LEU 111 CO -0.07 0.20 0.15 -0.07 0.09 0.00 0.00 178.44 178.73 2k27 h LEU 112 N 0.35 0.94 -0.29 1.67 3.38 -1.50 -0.21 115.31 119.65 2k27 h LEU 112 Ca 0.12 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.85 2k27 h LEU 112 Cb 0.01 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.50 2k27 h LEU 112 CO -0.07 0.94 0.17 0.00 0.09 0.00 0.00 178.44 179.57 2k27 h ALA 113 N 1.04 0.38 -0.49 1.53 0.00 -0.70 -2.45 119.26 118.57 2k27 h ALA 113 Ca 0.19 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2k27 h ALA 113 Cb 0.36 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2k27 h ALA 113 CO 0.00 -0.10 0.03 1.49 0.00 0.00 0.00 179.25 180.67 2k27 h GLU 114 N 0.36 0.85 -0.15 0.00 4.81 -1.30 -3.48 114.58 115.67 2k27 h GLU 114 Ca 0.10 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.08 2k27 h GLU 114 Cb 0.04 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2k27 h GLU 114 CO -0.02 0.87 0.00 0.41 -0.73 0.00 0.00 179.01 179.55 2k27 n GLY 115 N -0.43 1.00 0.17 1.92 0.00 -0.25 -5.02 105.19 102.58 2k27 n GLY 115 Ca 0.01 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 2k27 n GLY 115 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k27 h VAL 116 N 0.00 1.32 -4.17 1.61 2.07 -1.38 -3.47 116.25 112.24 2k27 h VAL 116 Ca 0.00 -1.36 -0.17 0.00 0.82 0.00 0.00 66.70 65.99 2k27 h VAL 116 Cb 0.15 1.73 -0.15 0.00 -1.52 0.00 0.00 31.29 31.50 2k27 h VAL 116 CO 0.00 0.42 -0.67 0.00 0.02 0.00 0.00 177.57 177.34 2k27 s ASP 118 N -3.00 5.16 0.64 0.00 1.01 -1.26 -4.20 116.67 115.03 2k27 s ASP 118 Ca 0.14 -0.28 0.38 0.00 0.71 0.00 0.00 52.55 53.50 2k27 s ASP 118 Cb 0.07 -0.51 2.11 0.00 1.01 0.00 0.00 42.92 45.60 2k27 s ASP 118 CO -0.05 -1.22 2.25 -0.55 0.21 0.00 0.00 175.17 175.82 2k27 h ASN 119 N 0.10 0.00 0.00 0.27 -1.07 -1.98 -0.21 115.58 112.68 2k27 h ASN 119 Ca -0.39 0.00 -0.07 0.00 0.07 0.00 0.00 56.30 55.91 2k27 h ASN 119 Cb 1.29 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.53 2k27 h ASN 119 CO 0.47 0.00 -0.42 -0.78 0.07 0.00 0.00 177.43 176.77 2k27 h ASP 120 N 0.00 0.00 0.88 6.14 3.58 -2.02 -3.40 116.42 121.60 2k27 h ASP 120 Ca 0.01 -0.61 -0.12 0.00 0.42 0.00 0.00 57.03 56.74 2k27 h ASP 120 Cb 0.16 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.19 2k27 h ASP 120 CO -0.00 1.04 -0.56 0.71 -2.88 0.00 0.00 179.24 177.55 2k27 h THR 121 N -1.00 1.19 -2.67 2.25 1.35 -1.79 -3.45 112.91 108.79 2k27 h THR 121 Ca -0.10 -2.09 -0.55 0.00 -0.55 0.00 0.00 66.41 63.12 2k27 h THR 121 Cb 0.89 2.20 0.07 0.00 -1.73 0.00 0.00 68.15 69.57 2k27 h THR 121 CO -0.06 0.55 0.89 0.55 -0.25 0.00 0.00 175.52 177.20 2k27 n VAL 122 N -3.56 0.29 -1.30 6.82 3.14 -0.15 -4.20 118.33 119.37 2k27 n VAL 122 Ca -0.00 -0.07 -0.29 0.00 -2.96 0.00 0.00 64.34 61.01 2k27 n VAL 122 Cb 0.64 -1.81 0.14 0.00 -1.06 0.00 0.00 33.84 31.76 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 0.62 1.05 0.26 1.45 0.04 -1.26 -4.96 135.00 132.20 2k27 s PRO 123 Ca 0.73 0.58 -0.30 0.00 0.04 0.00 0.00 61.00 62.06 2k27 s PRO 123 Cb -0.57 -1.80 -0.14 0.00 0.04 0.00 0.00 34.50 32.03 2k27 s PRO 123 CO 0.39 -2.32 1.19 0.43 0.04 0.00 0.00 177.00 176.73 2k27 n SER 124 N -3.90 1.93 0.23 6.66 7.64 -1.26 -4.89 113.62 120.03 2k27 n SER 124 Ca 0.06 1.17 0.07 0.00 1.01 0.00 0.00 58.87 61.18 2k27 n SER 124 Cb 0.57 -1.34 0.61 0.00 -1.01 0.00 0.00 64.21 63.04 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 2.51 1.02 -0.71 0.44 3.04 -1.96 0.01 116.25 120.59 2k27 h VAL 125 Ca -0.43 -0.05 0.01 0.00 -1.01 0.00 0.00 66.70 65.22 2k27 h VAL 125 Cb 1.31 0.97 -0.04 0.00 -2.01 0.00 0.00 31.29 31.53 2k27 h VAL 125 CO 0.67 0.02 0.47 0.28 -1.01 0.00 0.00 177.57 178.00 2k27 h SER 126 N 0.06 0.81 1.56 3.17 0.02 -1.98 -0.48 113.55 116.71 2k27 h SER 126 Ca 0.02 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k27 h SER 126 Cb 0.01 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.35 2k27 h SER 126 CO -0.00 0.58 0.00 0.28 -1.14 0.00 0.00 176.83 176.55 2k27 h SER 127 N 0.95 0.00 0.08 3.07 0.02 -1.34 -1.69 113.55 114.64 2k27 h SER 127 Ca 0.26 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.84 2k27 h SER 127 Cb -0.10 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.40 2k27 h SER 127 CO -0.06 0.00 -2.21 2.30 -1.14 0.00 0.00 176.83 175.72 2k27 n ILE 128 N -2.42 1.65 -0.09 3.27 -5.35 -1.15 -4.55 119.36 110.71 2k27 n ILE 128 Ca 0.05 -0.63 -0.06 0.00 -0.27 0.00 0.00 62.75 61.84 2k27 n ILE 128 Cb 0.45 -1.56 -0.00 0.00 -1.74 0.00 0.00 39.64 36.78 2k27 n ILE 128 CO 0.00 0.00 0.00 -1.13 -1.76 0.00 0.00 176.55 173.66 2k27 h ASN 129 N 0.04 -0.37 -0.99 7.28 -0.73 -0.97 -2.91 115.58 116.93 2k27 h ASN 129 Ca -0.49 0.11 0.26 0.00 1.87 0.00 0.00 56.30 58.04 2k27 h ASN 129 Cb 1.98 0.23 -0.13 0.00 0.27 0.00 0.00 38.32 40.67 2k27 h ASN 129 CO 0.01 -0.13 0.57 0.08 -0.37 0.00 0.00 177.43 177.58 2k27 h ARG 130 N -0.03 0.50 0.86 6.67 0.11 -1.55 -0.25 114.38 120.69 2k27 h ARG 130 Ca 0.16 -0.03 -0.04 0.00 0.10 0.00 0.00 59.98 60.17 2k27 h ARG 130 Cb 0.28 -0.11 0.01 0.00 1.11 0.00 0.00 29.97 31.25 2k27 h ARG 130 CO -0.35 0.33 -0.41 0.82 0.10 0.00 0.00 179.97 180.46 2k27 h ILE 131 N 0.52 0.00 -0.73 0.08 5.03 -1.77 -1.24 117.51 119.40 2k27 h ILE 131 Ca 0.65 -0.07 0.16 0.00 -0.12 0.00 0.00 64.86 65.47 2k27 h ILE 131 Cb 1.28 0.00 -0.11 0.00 -3.03 0.00 0.00 36.82 34.96 2k27 h ILE 131 CO -0.51 0.00 0.18 0.40 -0.68 0.00 0.00 178.15 177.55 2k27 h ILE 132 N -1.23 0.53 0.41 -0.67 1.08 -1.35 -1.19 117.51 115.09 2k27 h ILE 132 Ca -0.12 -0.10 -0.02 0.00 -0.39 0.00 0.00 64.86 64.24 2k27 h ILE 132 Cb 0.89 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 2k27 h ILE 132 CO 0.19 0.05 -0.20 0.03 -0.69 0.00 0.00 178.15 177.54 2k27 h ARG 133 N 0.28 -0.53 -0.60 2.37 2.47 -1.02 0.11 114.38 117.47 2k27 h ARG 133 Ca 0.41 0.04 0.02 0.00 -1.26 0.00 0.00 59.98 59.18 2k27 h ARG 133 Cb 0.69 0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 29.10 2k27 h ARG 133 CO -0.50 -0.33 0.40 1.79 0.56 0.00 0.00 179.97 181.89 2k27 h THR 134 N -0.59 1.12 0.22 2.04 1.35 -0.60 -1.60 112.91 114.85 2k27 h THR 134 Ca -0.06 -0.26 -0.01 0.00 -0.55 0.00 0.00 66.41 65.53 2k27 h THR 134 Cb 0.45 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.16 2k27 h THR 134 CO 0.09 0.14 -0.11 0.11 -0.25 0.00 0.00 175.52 175.51 2k27 h LYS 135 N 0.77 -0.29 -2.34 4.72 6.56 -1.13 -3.44 116.57 121.42 2k27 h LYS 135 Ca 0.23 0.02 -0.49 0.00 -1.06 0.00 0.00 60.65 59.35 2k27 h LYS 135 Cb -0.02 0.07 -0.36 0.00 -0.57 0.00 0.00 32.23 31.35 2k27 h LYS 135 CO -0.06 -0.19 -0.78 0.08 -2.06 0.00 0.00 179.45 176.45 2k27 s VAL 136 N -2.81 -0.08 0.17 0.50 1.01 0.02 -5.10 120.40 114.11 2k27 s VAL 136 Ca -0.04 -1.32 0.02 0.00 0.00 0.00 0.00 61.98 60.63 2k27 s VAL 136 Cb 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 2k27 s VAL 136 CO 0.13 -0.80 0.32 0.00 0.00 0.00 0.00 175.10 174.75 2k27 s GLN 137 N 1.33 3.46 -0.43 2.72 -2.07 -0.61 -4.48 119.66 119.58 2k27 s GLN 137 Ca 0.17 -0.55 0.07 0.00 -1.82 0.00 0.00 55.36 53.23 2k27 s GLN 137 Cb -0.19 -2.93 0.24 0.00 -1.09 0.00 0.00 33.01 29.04 2k27 s GLN 137 CO -0.05 0.48 0.53 1.04 -1.32 0.00 0.00 175.29 175.98 2k27 n GLN 138 N -0.67 0.92 -1.94 9.60 6.02 -1.26 -5.10 117.38 124.96 2k27 n GLN 138 Ca -0.07 -3.43 -0.33 0.00 -0.01 0.00 0.00 57.00 53.17 2k27 n GLN 138 Cb 0.54 -1.41 0.03 0.00 1.02 0.00 0.00 30.24 30.42 2k27 n GLN 138 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 2k27 s PRO 139 N -1.25 3.08 0.04 -1.09 0.04 -1.26 -4.98 135.00 129.58 2k27 s PRO 139 Ca 0.35 1.34 -0.24 0.00 0.04 0.00 0.00 61.00 62.49 2k27 s PRO 139 Cb 0.15 -1.99 -0.17 0.00 0.04 0.00 0.00 34.50 32.53 2k27 s PRO 139 CO -0.11 -1.02 1.51 0.74 0.04 0.00 0.00 177.00 178.16 2k27 h PHE 140 N 0.34 0.02 -1.67 0.56 0.04 -2.09 -3.49 116.94 110.65 2k27 h PHE 140 Ca -0.47 -0.00 0.17 0.00 2.80 0.00 0.00 57.97 60.47 2k27 h PHE 140 Cb 1.24 -0.01 -0.08 0.00 2.20 0.00 0.00 35.95 39.30 2k27 h PHE 140 CO 0.56 0.26 -0.55 -1.71 -0.60 0.00 0.00 178.31 176.27 2k27 n ASN 141 N -4.96 -3.96 -4.75 2.17 5.15 -1.26 -4.88 115.26 102.77 2k27 n ASN 141 Ca -0.08 0.62 -0.36 0.00 -0.60 0.00 0.00 54.58 54.17 2k27 n ASN 141 Cb 0.14 -2.35 0.04 0.00 -0.53 0.00 0.00 39.78 37.08 2k27 n ASN 141 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2k27 s LEU 142 N -5.80 3.63 0.32 1.20 1.02 -1.26 -4.98 118.68 112.82 2k27 s LEU 142 Ca 0.00 2.39 -0.29 0.00 0.02 0.00 0.00 54.13 56.25 2k27 s LEU 142 Cb 0.00 -4.60 -0.10 0.00 0.02 0.00 0.00 46.19 41.51 2k27 s LEU 142 CO 0.00 -1.65 1.33 -2.16 0.02 0.00 0.00 176.35 173.88 2k27 s PRO 143 N -3.38 4.33 -1.41 1.29 0.04 -1.26 -4.91 135.00 129.71 2k27 s PRO 143 Ca 0.77 2.24 -0.12 0.00 0.04 0.00 0.00 61.00 63.93 2k27 s PRO 143 Cb -0.30 -3.07 0.08 0.00 0.04 0.00 0.00 34.50 31.24 2k27 s PRO 143 CO 0.34 -0.23 2.13 -1.33 0.04 0.00 0.00 177.00 177.95 2k27 n MET 144 N 0.99 3.12 -1.71 4.56 2.81 -1.26 -4.97 117.12 120.65 2k27 n MET 144 Ca 0.01 -2.89 -0.33 0.00 -1.81 0.00 0.00 57.70 52.68 2k27 n MET 144 Cb 0.42 -3.16 0.05 0.00 -0.71 0.00 0.00 33.22 29.81 2k27 n MET 144 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2k27 s ASP 145 N 2.42 5.01 0.37 7.83 2.15 -1.26 -5.06 116.67 128.14 2k27 s ASP 145 Ca 0.45 2.02 -0.15 0.00 0.43 0.00 0.00 52.55 55.30 2k27 s ASP 145 Cb 0.13 -2.55 0.05 0.00 -0.30 0.00 0.00 42.92 40.24 2k27 s ASP 145 CO -0.06 -1.70 0.76 -0.55 -0.17 0.00 0.00 175.17 173.45 2k27 s SER 146 N -2.57 0.06 0.00 -0.34 0.15 -1.26 -5.17 113.70 104.58 2k27 s SER 146 Ca 0.67 -1.14 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2k27 s SER 146 Cb -0.21 0.83 0.00 0.00 -1.71 0.00 0.00 66.02 64.93 2k27 s SER 146 CO 0.42 -1.63 0.00 0.61 1.20 0.00 0.00 173.24 173.84 2k27 n GLY 147 N -0.53 -0.82 3.53 9.45 0.00 -1.26 -5.11 105.19 110.46 2k27 n GLY 147 Ca -0.07 -1.64 -0.17 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 s ALA 148 N -2.58 -1.79 1.06 4.61 0.00 -1.26 -5.18 121.76 116.61 2k27 s ALA 148 Ca 0.00 1.39 -0.17 0.00 0.00 0.00 0.00 51.96 53.18 2k27 s ALA 148 Cb 0.00 -0.15 0.24 0.00 0.00 0.00 0.00 23.12 23.20 2k27 s ALA 148 CO 0.00 -0.36 1.25 -1.25 0.00 0.00 0.00 175.76 175.40 2k27 s PRO 149 N -1.09 -0.10 0.10 0.00 0.04 -1.26 -5.11 135.00 127.60 2k27 s PRO 149 Ca -0.09 -0.31 -0.25 0.00 0.04 0.00 0.00 61.00 60.38 2k27 s PRO 149 Cb -0.00 -1.75 0.09 0.00 0.04 0.00 0.00 34.50 32.87 2k27 s PRO 149 CO 0.08 -2.92 1.12 0.20 0.04 0.00 0.00 177.00 175.52 2k27 s GLY 150 N -4.55 -0.09 0.00 0.56 0.00 -1.26 -5.20 107.32 96.78 2k27 s GLY 150 Ca 0.73 0.01 0.00 0.00 0.00 0.00 0.00 44.72 45.46 2k27 s GLY 150 CO 0.54 2.20 0.00 0.61 0.00 0.00 0.00 173.10 176.45 2k27 n GLY 151 N -0.66 -1.13 0.00 0.20 0.00 -1.26 -5.20 105.19 97.14 2k27 n GLY 151 Ca -0.03 -0.99 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2k27 n GLY 151 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k27 n GLY 152 N -0.01 -0.89 3.35 -0.02 0.00 -1.26 -5.08 105.19 101.27 2k27 n GLY 152 Ca 0.00 -0.92 -0.18 0.00 0.00 0.00 0.00 46.02 44.92 2k27 n GLY 152 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2k27 n SER 153 N 0.68 -5.86 -3.27 1.61 2.88 -1.26 -4.99 113.62 103.41 2k27 n SER 153 Ca 0.00 -0.75 -0.25 0.00 -1.33 0.00 0.00 58.87 56.54 2k27 n SER 153 Cb 0.00 -4.89 -0.07 0.00 -0.75 0.00 0.00 64.21 58.49 2k27 n SER 153 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 2k27 n HIS 154 N -3.49 0.94 -3.51 0.66 -0.00 -1.26 -5.08 115.22 103.48 2k27 n HIS 154 Ca -0.10 -3.75 -0.15 0.00 -0.00 0.00 0.00 57.72 53.72 2k27 n HIS 154 Cb 0.62 -0.41 -0.05 0.00 -0.00 0.00 0.00 29.99 30.15 2k27 n HIS 154 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2k27 s HIS 155 N -1.60 -0.55 0.00 1.57 5.04 -1.26 -5.18 115.29 113.31 2k27 s HIS 155 Ca 0.37 0.81 -0.16 0.00 -1.54 0.00 0.00 55.06 54.53 2k27 s HIS 155 Cb 0.16 0.46 0.03 0.00 0.04 0.00 0.00 32.58 33.26 2k27 s HIS 155 CO -0.08 -0.59 0.34 -1.58 -2.34 0.00 0.00 174.74 170.49 2k27 s HIS 156 N -1.79 -0.21 -0.29 3.88 2.46 -1.26 -5.14 115.29 112.93 2k27 s HIS 156 Ca -0.06 0.26 0.01 0.00 0.47 0.00 0.00 55.06 55.74 2k27 s HIS 156 Cb -0.00 0.13 0.15 0.00 -0.13 0.00 0.00 32.58 32.73 2k27 s HIS 156 CO 0.03 -0.45 0.37 -1.58 -2.47 0.00 0.00 174.74 170.63 2k27 s HIS 157 N -1.69 -0.78 0.15 3.88 5.04 -1.26 -5.13 115.29 115.50 2k27 s HIS 157 Ca -0.11 0.09 -0.30 0.00 -1.54 0.00 0.00 55.06 53.19 2k27 s HIS 157 Cb -0.03 -0.28 -0.08 0.00 0.04 0.00 0.00 32.58 32.22 2k27 s HIS 157 CO 0.02 -0.96 1.30 -1.58 -2.34 0.00 0.00 174.74 171.18 2k27 s HIS 158 N 2.43 3.31 -2.03 3.88 2.46 -1.26 -5.37 115.29 118.71 2k27 s HIS 158 Ca 0.10 1.19 0.16 0.00 0.47 0.00 0.00 55.06 56.98 2k27 s HIS 158 Cb -0.13 -3.57 0.13 0.00 -0.13 0.00 0.00 32.58 28.88 2k27 s HIS 158 CO -0.30 -1.83 1.01 0.72 -2.47 0.00 0.00 174.74 171.87