#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 4.48 -0.02 0.03 0.04 -1.26 -5.03 135.00 133.25 2k27 s PRO 2 Ca 0.00 1.67 0.01 0.00 0.04 0.00 0.00 61.00 62.72 2k27 s PRO 2 Cb 0.00 -3.37 0.01 0.00 0.04 0.00 0.00 34.50 31.18 2k27 s PRO 2 CO 0.00 -0.16 -0.04 -1.01 0.04 0.00 0.00 177.00 175.83 2k27 s HIS 3 N 0.91 0.48 -0.06 0.56 3.76 -1.26 -5.15 115.29 114.53 2k27 s HIS 3 Ca 0.56 -0.09 -0.29 0.00 -0.15 0.00 0.00 55.06 55.08 2k27 s HIS 3 Cb -0.27 -0.39 0.11 0.00 1.11 0.00 0.00 32.58 33.14 2k27 s HIS 3 CO 0.29 -0.07 0.90 0.54 -0.85 0.00 0.00 174.74 175.56 2k27 s ASN 4 N 0.29 -0.40 0.49 1.40 2.20 -1.26 -5.17 114.94 112.49 2k27 s ASN 4 Ca -0.03 0.21 -0.20 0.00 -0.94 0.00 0.00 52.86 51.90 2k27 s ASN 4 Cb -0.07 0.38 -0.08 0.00 -2.00 0.00 0.00 41.25 39.48 2k27 s ASN 4 CO -0.00 -0.53 1.02 -0.44 -2.94 0.00 0.00 177.10 174.20 2k27 s SER 5 N -1.89 6.41 0.00 3.54 0.01 -1.26 -5.08 113.70 115.43 2k27 s SER 5 Ca 0.01 1.84 0.02 0.00 1.31 0.00 0.00 55.95 59.13 2k27 s SER 5 Cb -0.01 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.67 2k27 s SER 5 CO -0.04 -0.73 -0.07 -0.51 0.41 0.00 0.00 173.24 172.30 2k27 s ILE 6 N -2.13 0.57 0.23 1.44 2.07 -1.26 -5.17 121.20 116.96 2k27 s ILE 6 Ca 0.65 -0.45 0.02 0.00 -1.41 0.00 0.00 60.65 59.47 2k27 s ILE 6 Cb -0.14 -0.51 -0.05 0.00 0.13 0.00 0.00 42.46 41.89 2k27 s ILE 6 CO 0.21 0.07 0.05 -0.13 -1.91 0.00 0.00 174.94 173.23 2k27 s ARG 7 N -0.42 1.32 0.64 3.50 1.81 -1.26 -5.15 118.95 119.39 2k27 s ARG 7 Ca 0.01 -1.68 -0.17 0.00 -1.72 0.00 0.00 55.73 52.16 2k27 s ARG 7 Cb -0.04 -0.35 -0.01 0.00 -0.45 0.00 0.00 34.95 34.10 2k27 s ARG 7 CO -0.00 -0.20 1.18 -1.12 -0.68 0.00 0.00 175.30 174.47 2k27 s SER 8 N -3.28 4.95 0.18 0.23 0.01 -1.26 -5.06 113.70 109.48 2k27 s SER 8 Ca 0.32 2.27 -0.22 0.00 1.31 0.00 0.00 55.95 59.63 2k27 s SER 8 Cb 0.07 -2.58 0.06 0.00 0.21 0.00 0.00 66.02 63.77 2k27 s SER 8 CO 0.10 -1.75 0.61 -0.83 0.41 0.00 0.00 173.24 171.77 2k27 s GLY 9 N -1.96 -0.47 0.38 3.44 0.00 -1.26 -5.16 107.32 102.28 2k27 s GLY 9 Ca 0.74 0.27 -0.25 0.00 0.00 0.00 0.00 44.72 45.47 2k27 s GLY 9 CO 0.38 0.06 1.04 0.30 0.00 0.00 0.00 173.10 174.88 2k27 s HIS 10 N -3.79 3.35 -1.33 1.90 3.76 -1.26 -4.95 115.29 112.97 2k27 s HIS 10 Ca 0.03 1.66 -0.16 0.00 -0.15 0.00 0.00 55.06 56.45 2k27 s HIS 10 Cb -0.02 -3.12 0.02 0.00 1.11 0.00 0.00 32.58 30.56 2k27 s HIS 10 CO -0.09 -0.53 2.07 0.41 -0.85 0.00 0.00 174.74 175.75 2k27 n GLY 11 N 0.46 3.64 0.39 -2.22 0.00 -1.26 -4.79 105.19 101.41 2k27 n GLY 11 Ca 0.04 -1.49 0.19 0.00 0.00 0.00 0.00 46.02 44.77 2k27 n GLY 11 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2k27 h GLY 12 N 11.37 0.30 0.65 -0.02 0.00 -2.06 -1.73 103.07 111.59 2k27 h GLY 12 Ca 0.51 -0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.84 2k27 h GLY 12 CO 1.78 0.02 0.49 -2.00 0.00 0.00 0.00 176.54 176.83 2k27 h LEU 13 N 0.17 0.75 -9.92 3.11 5.85 -2.04 -3.42 115.31 109.81 2k27 h LEU 13 Ca 0.33 0.03 -0.58 0.00 0.84 0.00 0.00 57.88 58.49 2k27 h LEU 13 Cb 1.04 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.90 2k27 h LEU 13 CO -0.05 0.46 -0.31 0.54 -0.34 0.00 0.00 178.44 178.74 2k27 s ASN 14 N -5.69 6.51 -0.01 1.25 4.22 -0.65 -5.10 114.94 115.46 2k27 s ASN 14 Ca -0.13 0.61 -0.29 0.00 -2.14 0.00 0.00 52.86 50.91 2k27 s ASN 14 Cb 0.18 -2.10 0.10 0.00 1.28 0.00 0.00 41.25 40.72 2k27 s ASN 14 CO 0.78 0.07 0.89 0.00 -2.04 0.00 0.00 177.10 176.81 2k27 s GLN 15 N -2.54 0.81 0.00 3.55 0.00 -1.26 -4.88 119.66 115.34 2k27 s GLN 15 Ca 0.40 -0.27 0.00 0.00 -0.00 0.00 0.00 55.36 55.48 2k27 s GLN 15 Cb -0.12 0.37 0.00 0.00 0.00 0.00 0.00 33.01 33.26 2k27 s GLN 15 CO 0.24 -0.35 0.00 -0.11 0.00 0.00 0.00 175.29 175.07 2k27 n LEU 16 N -0.18 0.00 0.00 2.60 7.94 -1.26 -4.84 117.00 121.25 2k27 n LEU 16 Ca -0.09 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 2k27 n LEU 16 Cb 0.62 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.57 2k27 n LEU 16 CO 0.11 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.00 2k27 n GLY 17 N 0.00 2.00 2.90 -3.96 0.00 -1.26 -4.82 105.19 100.06 2k27 n GLY 17 Ca 0.00 0.01 -0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 -1.16 3.23 -0.02 0.00 -1.26 -5.06 105.19 100.92 2k27 n GLY 18 Ca 0.00 0.45 -0.10 0.00 0.00 0.00 0.00 46.02 46.37 2k27 n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k27 s ALA 19 N -2.97 -0.49 0.47 4.61 0.00 -1.26 -5.16 121.76 116.95 2k27 s ALA 19 Ca 0.01 -0.27 -0.21 0.00 0.00 0.00 0.00 51.96 51.50 2k27 s ALA 19 Cb -0.00 0.41 -0.09 0.00 0.00 0.00 0.00 23.12 23.44 2k27 s ALA 19 CO 0.68 -0.46 1.05 -0.59 0.00 0.00 0.00 175.76 176.44 2k27 s PHE 20 N -3.14 3.05 0.00 0.00 -0.71 -1.26 -4.97 117.98 110.95 2k27 s PHE 20 Ca -0.01 1.59 0.00 0.00 -1.04 0.00 0.00 56.93 57.47 2k27 s PHE 20 Cb 0.01 -3.09 0.00 0.00 -1.21 0.00 0.00 43.02 38.73 2k27 s PHE 20 CO -0.07 -0.82 0.00 0.28 -1.34 0.00 0.00 175.22 173.27 2k27 n VAL 21 N -0.74 0.00 -3.49 -2.49 0.31 -1.26 -5.12 118.33 105.53 2k27 n VAL 21 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2k27 n VAL 21 Cb 0.52 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.40 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 -2.49 -0.69 -1.19 4.52 3.04 -1.26 -4.77 114.94 112.09 2k27 s ASN 22 Ca 0.00 0.97 -0.04 0.00 0.04 0.00 0.00 52.86 53.84 2k27 s ASN 22 Cb 0.00 1.70 0.00 0.00 -1.54 0.00 0.00 41.25 41.42 2k27 s ASN 22 CO 0.00 -0.14 0.48 0.61 -3.04 0.00 0.00 177.10 175.01 2k27 n GLY 23 N 4.85 -0.23 3.86 1.21 0.00 -1.26 -5.03 105.19 108.59 2k27 n GLY 23 Ca -0.11 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 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 -5.44 3.68 1.00 1.61 3.00 -1.26 -5.07 118.95 116.48 2k27 s ARG 24 Ca 0.24 0.79 -0.12 0.00 0.00 0.00 0.00 55.73 56.63 2k27 s ARG 24 Cb -0.10 -2.10 0.19 0.00 0.00 0.00 0.00 34.95 32.93 2k27 s ARG 24 CO 0.29 -0.49 1.09 -1.25 0.00 0.00 0.00 175.30 174.95 2k27 s PRO 25 N -4.90 0.40 -0.61 3.54 0.04 -1.26 -5.02 135.00 127.18 2k27 s PRO 25 Ca 0.56 0.50 0.06 0.00 0.04 0.00 0.00 61.00 62.16 2k27 s PRO 25 Cb -0.11 -1.73 0.24 0.00 0.04 0.00 0.00 34.50 32.94 2k27 s PRO 25 CO 0.48 -2.75 0.69 -0.11 0.04 0.00 0.00 177.00 175.36 2k27 n LEU 26 N -4.19 3.20 -4.81 -3.56 7.94 -1.26 -5.01 117.00 109.32 2k27 n LEU 26 Ca 0.05 -5.32 -0.30 0.00 -1.11 0.00 0.00 56.01 49.33 2k27 n LEU 26 Cb 0.57 -0.50 0.08 0.00 0.53 0.00 0.00 43.42 44.10 2k27 n LEU 26 CO 0.57 2.03 0.71 -2.16 -1.11 0.00 0.00 177.39 177.44 2k27 s PRO 27 N -2.20 2.38 0.43 1.96 0.04 -1.26 -4.57 135.00 131.78 2k27 s PRO 27 Ca 0.38 0.76 0.12 0.00 0.04 0.00 0.00 61.00 62.30 2k27 s PRO 27 Cb 0.13 -1.94 0.99 0.00 0.04 0.00 0.00 34.50 33.72 2k27 s PRO 27 CO -0.04 -1.44 2.00 1.49 0.04 0.00 0.00 177.00 179.05 2k27 h GLU 28 N -0.96 0.43 -0.41 4.56 4.81 -1.95 -2.02 114.58 119.04 2k27 h GLU 28 Ca -0.46 -0.03 0.12 0.00 -0.13 0.00 0.00 59.36 58.86 2k27 h GLU 28 Cb 1.25 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 2k27 h GLU 28 CO 0.58 0.29 0.32 -0.24 -0.73 0.00 0.00 179.01 179.23 2k27 h VAL 29 N 0.45 0.67 -0.21 0.32 3.04 -2.01 -0.65 116.25 117.85 2k27 h VAL 29 Ca 0.25 0.00 0.06 0.00 -1.01 0.00 0.00 66.70 66.00 2k27 h VAL 29 Cb 0.40 0.77 -0.01 0.00 -2.01 0.00 0.00 31.29 30.44 2k27 h VAL 29 CO -0.07 0.00 0.20 0.58 -1.01 0.00 0.00 177.57 177.27 2k27 h VAL 30 N 0.00 0.59 -1.00 1.51 2.07 -1.74 -2.00 116.25 115.68 2k27 h VAL 30 Ca 0.19 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.98 2k27 h VAL 30 Cb 0.84 0.85 -0.19 0.00 -1.52 0.00 0.00 31.29 31.27 2k27 h VAL 30 CO -0.00 0.00 -0.00 -1.14 0.02 0.00 0.00 177.57 176.44 2k27 n ARG 31 N -4.01 -0.08 0.10 1.57 0.00 -0.25 -1.35 116.66 112.64 2k27 n ARG 31 Ca 0.02 1.50 -0.12 0.00 -0.00 0.00 0.00 57.85 59.25 2k27 n ARG 31 Cb 0.34 -2.37 -0.06 0.00 0.00 0.00 0.00 32.46 30.36 2k27 n ARG 31 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 2k27 h GLN 32 N 0.00 -0.28 0.00 -0.14 1.08 -1.58 -0.82 115.11 113.37 2k27 h GLN 32 Ca 0.59 0.02 -0.09 0.00 -1.45 0.00 0.00 58.65 57.72 2k27 h GLN 32 Cb 1.20 0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 28.68 2k27 h GLN 32 CO -0.95 -0.19 -0.44 0.07 -0.95 0.00 0.00 178.83 176.38 2k27 h ARG 33 N -0.29 0.00 -0.16 1.46 0.11 -1.38 -0.84 114.38 113.27 2k27 h ARG 33 Ca 0.02 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.08 2k27 h ARG 33 Cb 0.30 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.37 2k27 h ARG 33 CO -0.06 0.44 0.06 0.82 0.10 0.00 0.00 179.97 181.32 2k27 h ILE 34 N 0.00 1.17 -0.07 0.08 1.08 -1.03 0.16 117.51 118.90 2k27 h ILE 34 Ca -0.00 -0.53 0.03 0.00 -0.39 0.00 0.00 64.86 63.97 2k27 h ILE 34 Cb 0.80 1.22 -0.04 0.00 -3.07 0.00 0.00 36.82 35.73 2k27 h ILE 34 CO 0.06 0.16 -0.13 0.58 -0.69 0.00 0.00 178.15 178.13 2k27 h VAL 35 N 0.09 0.67 -0.04 1.67 2.07 -0.84 -0.88 116.25 118.98 2k27 h VAL 35 Ca 0.05 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.59 2k27 h VAL 35 Cb 0.20 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2k27 h VAL 35 CO -0.00 0.00 -0.10 -0.78 0.02 0.00 0.00 177.57 176.71 2k27 h ASP 36 N -0.18 -0.30 0.15 0.57 3.58 -1.09 -0.39 116.42 118.77 2k27 h ASP 36 Ca 0.07 0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.58 2k27 h ASP 36 Cb 0.27 0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.44 2k27 h ASP 36 CO -0.18 -0.14 -0.16 0.25 -2.88 0.00 0.00 179.24 176.13 2k27 h LEU 37 N -0.15 -0.42 -0.92 2.28 5.85 -0.80 -2.49 115.31 118.67 2k27 h LEU 37 Ca 0.05 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.84 2k27 h LEU 37 Cb 0.22 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.35 2k27 h LEU 37 CO -0.13 -0.24 0.60 0.00 -0.34 0.00 0.00 178.44 178.33 2k27 h ALA 38 N 0.48 1.21 0.00 1.25 0.00 -1.08 -2.67 119.26 118.45 2k27 h ALA 38 Ca 0.01 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2k27 h ALA 38 Cb 0.33 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2k27 h ALA 38 CO -0.05 0.48 -0.00 1.25 0.00 0.00 0.00 179.25 180.93 2k27 h HIS 39 N 1.18 0.00 0.00 0.00 -0.00 -0.61 -0.74 115.15 114.97 2k27 h HIS 39 Ca 0.36 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.73 2k27 h HIS 39 Cb -0.03 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.38 2k27 h HIS 39 CO -0.01 0.00 -0.03 -0.56 -0.00 0.00 0.00 177.93 177.33 2k27 h GLN 40 N 0.00 0.00 -1.43 5.26 3.07 -1.24 -3.47 115.11 117.30 2k27 h GLN 40 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2k27 h GLN 40 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.70 2k27 h GLN 40 CO 0.00 0.03 0.00 0.41 0.09 0.00 0.00 178.83 179.36 2k27 n GLY 41 N -1.21 0.32 3.02 0.06 0.00 -0.29 -5.13 105.19 101.97 2k27 n GLY 41 Ca -0.03 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.48 0.58 0.40 1.61 0.11 -1.24 -5.13 120.40 114.25 2k27 s VAL 42 Ca 0.00 -0.61 -0.20 0.00 -2.93 0.00 0.00 61.98 58.24 2k27 s VAL 42 Cb 0.00 -0.55 -0.10 0.00 -1.53 0.00 0.00 36.38 34.20 2k27 s VAL 42 CO 0.00 -0.04 0.90 0.00 -3.33 0.00 0.00 175.10 172.63 2k27 s ARG 43 N -0.72 4.20 0.44 1.54 1.70 -1.26 -4.91 118.95 119.93 2k27 s ARG 43 Ca -0.02 1.03 0.12 0.00 -0.47 0.00 0.00 55.73 56.39 2k27 s ARG 43 Cb -0.05 -2.28 0.97 0.00 -0.57 0.00 0.00 34.95 33.02 2k27 s ARG 43 CO 0.00 0.03 2.02 -1.00 -1.08 0.00 0.00 175.30 175.28 2k27 h PRO 44 N 2.07 0.20 -0.40 3.89 0.13 -2.01 -0.47 132.00 135.41 2k27 h PRO 44 Ca -0.49 -0.03 0.10 0.00 -0.87 0.00 0.00 66.00 64.72 2k27 h PRO 44 Cb 1.18 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 2k27 h PRO 44 CO 0.62 0.24 0.28 0.00 -0.23 0.00 0.00 178.00 178.91 2k27 n ASP 46 N -4.44 1.09 -0.28 0.00 2.03 -0.27 -3.69 116.55 110.99 2k27 n ASP 46 Ca 0.06 0.30 0.14 0.00 0.52 0.00 0.00 54.79 55.81 2k27 n ASP 46 Cb 0.41 -0.13 0.40 0.00 -0.72 0.00 0.00 41.12 41.09 2k27 n ASP 46 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2k27 h ILE 47 N 0.02 0.77 -0.32 5.18 2.04 -0.92 -1.27 117.51 123.00 2k27 h ILE 47 Ca -0.36 -0.22 0.06 0.00 1.00 0.00 0.00 64.86 65.34 2k27 h ILE 47 Cb 2.04 0.08 -0.08 0.00 -0.74 0.00 0.00 36.82 38.12 2k27 h ILE 47 CO 0.07 0.12 -0.39 0.28 0.00 0.00 0.00 178.15 178.22 2k27 h SER 48 N 0.64 -1.28 0.24 1.72 0.02 -1.36 -2.11 113.55 111.42 2k27 h SER 48 Ca 0.48 0.20 -0.23 0.00 -0.84 0.00 0.00 61.79 61.39 2k27 h SER 48 Cb 0.86 0.56 0.01 0.00 0.14 0.00 0.00 62.40 63.97 2k27 h SER 48 CO -0.23 -0.37 -0.93 0.08 -1.14 0.00 0.00 176.83 174.25 2k27 h ARG 49 N -0.35 0.48 -0.57 3.45 0.11 -1.46 0.34 114.38 116.38 2k27 h ARG 49 Ca 0.13 -0.50 0.08 0.00 0.10 0.00 0.00 59.98 59.79 2k27 h ARG 49 Cb 0.58 0.14 -0.06 0.00 1.11 0.00 0.00 29.97 31.73 2k27 h ARG 49 CO -0.51 1.14 0.22 1.96 0.10 0.00 0.00 179.97 182.88 2k27 h GLN 50 N 0.28 0.41 0.00 0.08 4.20 -1.12 -2.03 115.11 116.92 2k27 h GLN 50 Ca -0.08 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.60 2k27 h GLN 50 Cb 1.56 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 29.25 2k27 h GLN 50 CO 0.17 0.27 -0.40 -0.07 -0.67 0.00 0.00 178.83 178.12 2k27 h LEU 51 N 0.42 0.00 -2.23 1.46 -0.00 -1.41 -3.49 115.31 110.07 2k27 h LEU 51 Ca 0.28 -0.09 -0.16 0.00 -0.00 0.00 0.00 57.88 57.90 2k27 h LEU 51 Cb 0.30 0.00 0.10 0.00 -0.00 0.00 0.00 40.66 41.07 2k27 h LEU 51 CO -0.26 0.05 -0.46 0.54 -0.00 0.00 0.00 178.44 178.30 2k27 n ARG 52 N -2.37 -2.56 -4.29 1.13 1.74 -0.32 -4.45 116.66 105.53 2k27 n ARG 52 Ca 0.04 0.48 -0.15 0.00 -0.77 0.00 0.00 57.85 57.45 2k27 n ARG 52 Cb 0.46 -4.18 -0.10 0.00 -1.02 0.00 0.00 32.46 27.62 2k27 n ARG 52 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2k27 s VAL 53 N -3.21 0.71 0.49 1.55 -7.23 -0.04 -4.89 120.40 107.78 2k27 s VAL 53 Ca 0.12 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.09 2k27 s VAL 53 Cb -0.02 -2.37 -0.07 0.00 0.56 0.00 0.00 36.38 34.48 2k27 s VAL 53 CO 0.41 -0.26 1.10 -0.55 -0.31 0.00 0.00 175.10 175.50 2k27 s SER 54 N -3.26 6.13 0.42 4.85 0.15 -1.26 -4.46 113.70 116.27 2k27 s SER 54 Ca 0.30 2.12 0.09 0.00 0.70 0.00 0.00 55.95 59.16 2k27 s SER 54 Cb 0.07 -2.58 0.92 0.00 -1.71 0.00 0.00 66.02 62.72 2k27 s SER 54 CO 0.09 -0.94 2.05 -0.74 1.20 0.00 0.00 173.24 174.90 2k27 h HIS 55 N 1.65 0.46 -0.92 3.44 2.76 -1.94 -0.91 115.15 119.69 2k27 h HIS 55 Ca -0.50 0.01 0.08 0.00 -2.20 0.00 0.00 60.37 57.76 2k27 h HIS 55 Cb 1.24 -0.15 -0.06 0.00 1.55 0.00 0.00 27.41 29.98 2k27 h HIS 55 CO 0.54 0.28 0.60 0.78 -1.30 0.00 0.00 177.93 178.82 2k27 h GLY 56 N 0.49 1.36 2.00 5.26 0.00 -1.99 -2.63 103.07 107.55 2k27 h GLY 56 Ca 0.16 -0.41 -0.13 0.00 0.00 0.00 0.00 47.33 46.95 2k27 h GLY 56 CO -0.04 0.27 -0.62 0.00 0.00 0.00 0.00 176.54 176.15 2k27 h VAL 58 N 0.00 0.73 -0.67 0.00 2.07 -1.32 0.92 116.25 117.97 2k27 h VAL 58 Ca -0.01 -0.10 0.13 0.00 0.82 0.00 0.00 66.70 67.54 2k27 h VAL 58 Cb 1.12 0.42 -0.09 0.00 -1.52 0.00 0.00 31.29 31.21 2k27 h VAL 58 CO 0.08 0.05 0.20 -1.28 0.02 0.00 0.00 177.57 176.65 2k27 h SER 59 N 0.29 0.11 0.54 0.57 0.87 -1.67 -0.23 113.55 114.03 2k27 h SER 59 Ca 0.38 0.11 -0.23 0.00 -1.23 0.00 0.00 61.79 60.82 2k27 h SER 59 Cb 1.05 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 63.13 2k27 h SER 59 CO -0.10 0.04 -1.02 0.11 -0.53 0.00 0.00 176.83 175.34 2k27 h LYS 60 N 0.33 0.28 -0.18 2.24 1.57 -1.06 -1.08 116.57 118.68 2k27 h LYS 60 Ca 0.36 -0.36 0.01 0.00 -1.87 0.00 0.00 60.65 58.80 2k27 h LYS 60 Cb 0.55 0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.96 2k27 h LYS 60 CO -0.41 1.09 0.08 0.82 -0.57 0.00 0.00 179.45 180.46 2k27 h ILE 61 N 0.13 0.99 0.00 1.86 1.08 -0.87 -1.28 117.51 119.41 2k27 h ILE 61 Ca -0.08 -0.06 -0.04 0.00 -0.39 0.00 0.00 64.86 64.29 2k27 h ILE 61 Cb 1.69 0.80 -0.01 0.00 -3.07 0.00 0.00 36.82 36.23 2k27 h ILE 61 CO 0.17 0.03 -0.17 -0.07 -0.69 0.00 0.00 178.15 177.41 2k27 h LEU 62 N 0.18 0.00 -0.72 1.44 -0.00 -1.08 -3.49 115.31 111.63 2k27 h LEU 62 Ca 0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.95 2k27 h LEU 62 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 2k27 h LEU 62 CO -0.05 0.17 0.00 0.61 -0.00 0.00 0.00 178.44 179.17 2k27 n GLY 63 N -0.57 -0.78 0.15 0.83 0.00 -0.42 -4.94 105.19 99.46 2k27 n GLY 63 Ca -0.02 -0.89 -0.06 0.00 0.00 0.00 0.00 46.02 45.06 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 0.01 0.00 1.61 3.08 -1.74 -3.45 114.38 113.89 2k27 h ARG 64 Ca 0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2k27 h ARG 64 Cb 0.00 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2k27 h ARG 64 CO 0.00 0.01 0.00 2.48 -1.07 0.00 0.00 179.97 181.39 2k27 n TYR 65 N -5.27 -4.45 -2.80 3.04 4.11 -1.26 -5.05 117.16 105.48 2k27 n TYR 65 Ca 0.01 1.47 -0.03 0.00 -0.00 0.00 0.00 57.90 59.34 2k27 n TYR 65 Cb 0.19 3.58 0.01 0.00 -0.00 0.00 0.00 39.34 43.12 2k27 n TYR 65 CO 0.00 0.00 0.00 -0.47 -0.00 0.00 0.00 176.86 176.39 2k27 s TYR 66 N -2.00 -1.43 -0.14 -3.48 6.14 -1.26 -4.61 117.35 110.57 2k27 s TYR 66 Ca 0.00 -0.41 -0.09 0.00 0.64 0.00 0.00 57.07 57.21 2k27 s TYR 66 Cb 0.00 0.28 -0.03 0.00 0.42 0.00 0.00 41.96 42.63 2k27 s TYR 66 CO 0.00 -1.11 -0.18 0.39 0.64 0.00 0.00 175.55 175.29 2k27 n GLU 67 N 3.07 0.44 0.00 4.97 1.02 -1.26 -4.91 120.64 123.95 2k27 n GLU 67 Ca 0.16 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 2k27 n GLU 67 Cb 0.57 -1.63 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 2k27 n GLU 67 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 2k27 n THR 68 N -4.50 0.00 -2.00 2.62 -2.24 -1.26 -5.06 114.28 101.85 2k27 n THR 68 Ca -0.07 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.41 2k27 n THR 68 Cb 0.27 -0.81 0.19 0.00 -2.10 0.00 0.00 70.33 67.88 2k27 n THR 68 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2k27 s GLY 69 N -1.11 1.81 0.02 3.38 0.00 -1.26 -4.94 107.32 105.22 2k27 s GLY 69 Ca 0.00 -1.34 -0.18 0.00 0.00 0.00 0.00 44.72 43.20 2k27 s GLY 69 CO 0.00 -0.54 1.19 1.48 0.00 0.00 0.00 173.10 175.23 2k27 h SER 70 N -1.63 -0.56 -3.37 1.64 4.64 -1.91 -3.41 113.55 108.95 2k27 h SER 70 Ca -0.43 0.02 -0.38 0.00 -0.47 0.00 0.00 61.79 60.52 2k27 h SER 70 Cb 1.22 0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 2k27 h SER 70 CO 0.34 -0.38 -0.50 -0.38 -0.87 0.00 0.00 176.83 175.04 2k27 n ILE 71 N -3.89 -1.03 -3.30 0.95 5.41 -1.26 -4.11 119.36 112.13 2k27 n ILE 71 Ca -0.08 0.00 -0.08 0.00 1.00 0.00 0.00 62.75 63.58 2k27 n ILE 71 Cb 0.26 -2.79 -0.06 0.00 -0.71 0.00 0.00 39.64 36.34 2k27 n ILE 71 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2k27 s ARG 72 N -5.14 0.42 0.45 0.38 1.81 -1.26 -4.99 118.95 110.62 2k27 s ARG 72 Ca 0.04 0.14 -0.22 0.00 -1.72 0.00 0.00 55.73 53.97 2k27 s ARG 72 Cb -0.02 -0.28 -0.08 0.00 -0.45 0.00 0.00 34.95 34.11 2k27 s ARG 72 CO 0.05 -1.04 1.07 -1.25 -0.68 0.00 0.00 175.30 173.46 2k27 s PRO 73 N 2.55 3.92 -0.06 3.54 0.04 -1.26 -5.03 135.00 138.71 2k27 s PRO 73 Ca 0.10 1.53 -0.32 0.00 0.04 0.00 0.00 61.00 62.35 2k27 s PRO 73 Cb -0.12 -2.35 0.13 0.00 0.04 0.00 0.00 34.50 32.20 2k27 s PRO 73 CO -0.30 -0.36 1.37 0.20 0.04 0.00 0.00 177.00 177.95 2k27 s GLY 74 N -1.66 -0.46 -0.29 0.56 0.00 -1.26 -5.17 107.32 99.04 2k27 s GLY 74 Ca 0.63 0.83 -0.13 0.00 0.00 0.00 0.00 44.72 46.05 2k27 s GLY 74 CO 0.27 0.18 0.69 0.54 0.00 0.00 0.00 173.10 174.77 2k27 s VAL 75 N -2.22 -0.57 0.30 1.40 0.11 -1.26 -5.16 120.40 113.00 2k27 s VAL 75 Ca 0.15 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.91 2k27 s VAL 75 Cb 0.06 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.82 2k27 s VAL 75 CO -0.05 0.00 1.12 -0.63 -3.33 0.00 0.00 175.10 172.21 2k27 s ILE 76 N 2.36 3.39 -0.51 7.04 -1.09 -1.26 -5.01 121.20 126.12 2k27 s ILE 76 Ca -0.07 1.38 0.07 0.00 -2.23 0.00 0.00 60.65 59.79 2k27 s ILE 76 Cb -0.09 -3.87 0.21 0.00 -1.58 0.00 0.00 42.46 37.13 2k27 s ILE 76 CO -0.19 0.31 0.79 0.61 -1.23 0.00 0.00 174.94 175.23 2k27 n GLY 77 N 1.09 -0.38 2.72 6.18 0.00 -1.26 -5.04 105.19 108.50 2k27 n GLY 77 Ca -0.01 0.36 -0.07 0.00 0.00 0.00 0.00 46.02 46.30 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 2.49 -0.22 2.68 -0.02 0.00 -1.26 -5.00 105.19 103.85 2k27 n GLY 78 Ca 0.15 0.32 -0.08 0.00 0.00 0.00 0.00 46.02 46.41 2k27 n GLY 78 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k27 n SER 79 N 0.95 -0.05 -4.69 1.61 7.64 -1.26 -5.12 113.62 112.70 2k27 n SER 79 Ca 0.04 -2.60 -0.42 0.00 1.01 0.00 0.00 58.87 56.90 2k27 n SER 79 Cb 0.69 0.16 -0.03 0.00 -1.01 0.00 0.00 64.21 64.02 2k27 n SER 79 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2k27 s LYS 80 N -1.65 4.37 0.87 1.43 2.20 -1.26 -5.04 119.74 120.67 2k27 s LYS 80 Ca 0.25 1.57 -0.13 0.00 -0.36 0.00 0.00 55.97 57.30 2k27 s LYS 80 Cb 0.43 -3.56 0.12 0.00 -1.51 0.00 0.00 37.83 33.32 2k27 s LYS 80 CO -0.02 -0.41 1.17 -1.25 -0.36 0.00 0.00 175.35 174.49 2k27 s PRO 81 N 2.18 1.43 -0.27 4.03 0.04 -1.26 -5.09 135.00 136.06 2k27 s PRO 81 Ca 0.53 0.14 -0.01 0.00 0.04 0.00 0.00 61.00 61.70 2k27 s PRO 81 Cb -0.22 -1.89 0.14 0.00 0.04 0.00 0.00 34.50 32.57 2k27 s PRO 81 CO 0.20 -1.97 0.34 0.21 0.04 0.00 0.00 177.00 175.83 2k27 s LYS 82 N -5.48 0.34 0.59 4.56 2.47 -1.26 -5.15 119.74 115.81 2k27 s LYS 82 Ca 0.64 0.18 -0.17 0.00 -1.56 0.00 0.00 55.97 55.06 2k27 s LYS 82 Cb -0.12 -0.57 -0.04 0.00 -1.46 0.00 0.00 37.83 35.64 2k27 s LYS 82 CO 0.51 -0.87 1.09 0.54 0.16 0.00 0.00 175.35 176.79 2k27 s VAL 83 N 2.46 3.43 0.16 4.02 0.11 -1.26 -5.08 120.40 124.24 2k27 s VAL 83 Ca 0.10 0.76 -0.12 0.00 -2.93 0.00 0.00 61.98 59.78 2k27 s VAL 83 Cb -0.14 -3.27 0.01 0.00 -1.53 0.00 0.00 36.38 31.45 2k27 s VAL 83 CO -0.24 -0.32 0.36 0.00 -3.33 0.00 0.00 175.10 171.57 2k27 s ALA 84 N -2.16 -0.41 -0.30 1.54 0.00 -1.26 -5.17 121.76 114.01 2k27 s ALA 84 Ca 0.68 -0.57 -0.01 0.00 0.00 0.00 0.00 51.96 52.05 2k27 s ALA 84 Cb -0.20 0.81 0.19 0.00 0.00 0.00 0.00 23.12 23.92 2k27 s ALA 84 CO 0.33 -0.69 0.64 -0.08 0.00 0.00 0.00 175.76 175.96 2k27 s THR 85 N -3.91 -0.94 -0.17 0.00 -1.32 -1.26 -5.04 115.64 102.99 2k27 s THR 85 Ca 0.12 0.00 0.29 0.00 -1.21 0.00 0.00 61.69 60.89 2k27 s THR 85 Cb 0.02 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 70.37 2k27 s THR 85 CO -0.03 0.00 1.83 1.55 -2.21 0.00 0.00 174.62 175.77 2k27 h PRO 86 N 8.00 0.00 -0.24 7.08 0.13 -2.04 -3.20 132.00 141.72 2k27 h PRO 86 Ca -0.21 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.99 2k27 h PRO 86 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2k27 h PRO 86 CO 0.22 0.00 0.30 -0.22 -0.23 0.00 0.00 178.00 178.07 2k27 h LYS 87 N 0.00 0.00 -0.95 0.86 1.63 -1.97 -1.71 116.57 114.43 2k27 h LYS 87 Ca 0.00 0.00 0.28 0.00 -0.85 0.00 0.00 60.65 60.08 2k27 h LYS 87 Cb 0.65 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 32.13 2k27 h LYS 87 CO 0.00 0.00 0.44 0.28 -3.45 0.00 0.00 179.45 176.72 2k27 h VAL 88 N 0.00 0.34 -0.19 2.00 2.07 -2.01 -0.30 116.25 118.15 2k27 h VAL 88 Ca 0.11 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2k27 h VAL 88 Cb 0.71 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 2k27 h VAL 88 CO -0.00 0.06 0.13 0.58 0.02 0.00 0.00 177.57 178.35 2k27 h VAL 89 N 0.31 1.05 -0.56 2.57 2.07 -1.60 -3.03 116.25 117.07 2k27 h VAL 89 Ca 0.65 -0.10 -0.32 0.00 0.82 0.00 0.00 66.70 67.75 2k27 h VAL 89 Cb 1.40 0.78 -0.17 0.00 -1.52 0.00 0.00 31.29 31.78 2k27 h VAL 89 CO -0.61 0.05 0.41 -0.62 0.02 0.00 0.00 177.57 176.82 2k27 n GLU 90 N -4.95 1.78 -0.03 1.57 -0.58 -0.15 -3.75 120.64 114.54 2k27 n GLU 90 Ca -0.03 -1.73 -0.02 0.00 -0.42 0.00 0.00 57.16 54.96 2k27 n GLU 90 Cb 0.03 -1.68 -0.02 0.00 -0.57 0.00 0.00 31.44 29.20 2k27 n GLU 90 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2k27 h LYS 91 N 0.92 -0.05 -0.99 3.49 1.57 -1.37 -1.49 116.57 118.64 2k27 h LYS 91 Ca 0.35 0.00 0.22 0.00 -1.87 0.00 0.00 60.65 59.36 2k27 h LYS 91 Cb 1.63 0.01 -0.19 0.00 0.08 0.00 0.00 32.23 33.76 2k27 h LYS 91 CO 0.71 0.06 -0.16 -0.89 -0.57 0.00 0.00 179.45 178.60 2k27 n ILE 92 N -4.80 -0.42 -0.05 1.86 -0.00 -1.25 -1.32 119.36 113.39 2k27 n ILE 92 Ca -0.02 2.25 -0.15 0.00 -0.00 0.00 0.00 62.75 64.84 2k27 n ILE 92 Cb 0.06 -3.17 -0.10 0.00 -0.00 0.00 0.00 39.64 36.44 2k27 n ILE 92 CO 0.00 0.00 0.00 1.23 -0.00 0.00 0.00 176.55 177.78 2k27 h GLY 93 N 0.00 -1.06 0.31 7.39 0.00 -1.64 -0.55 103.07 107.51 2k27 h GLY 93 Ca 0.52 0.69 0.05 0.00 0.00 0.00 0.00 47.33 48.59 2k27 h GLY 93 CO -1.00 -0.17 -0.22 -0.55 0.00 0.00 0.00 176.54 174.60 2k27 h ASP 94 N -0.53 -0.70 0.04 0.19 3.32 -0.09 0.57 116.42 119.23 2k27 h ASP 94 Ca 0.04 0.12 -0.09 0.00 0.02 0.00 0.00 57.03 57.12 2k27 h ASP 94 Cb 0.66 0.31 -0.01 0.00 0.22 0.00 0.00 39.33 40.51 2k27 h ASP 94 CO -0.49 -0.27 -0.28 1.88 -1.72 0.00 0.00 179.24 178.36 2k27 h TYR 95 N -0.28 0.42 -0.46 4.55 0.05 -1.21 0.13 116.97 120.16 2k27 h TYR 95 Ca 0.10 -0.09 -0.11 0.00 0.05 0.00 0.00 58.73 58.69 2k27 h TYR 95 Cb 0.43 -0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.06 2k27 h TYR 95 CO -0.33 0.62 -0.15 0.87 -1.05 0.00 0.00 178.16 178.12 2k27 h LYS 96 N 0.33 0.87 -0.45 4.88 1.79 -0.79 -1.05 116.57 122.15 2k27 h LYS 96 Ca 0.05 -0.32 -0.12 0.00 -2.18 0.00 0.00 60.65 58.08 2k27 h LYS 96 Cb 0.67 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 31.25 2k27 h LYS 96 CO 0.05 0.96 -0.18 0.00 -1.08 0.00 0.00 179.45 179.20 2k27 h ARG 97 N 0.78 0.89 0.12 3.15 3.08 -0.15 -2.52 114.38 119.72 2k27 h ARG 97 Ca 0.12 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 2k27 h ARG 97 Cb 0.67 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2k27 h ARG 97 CO 0.05 0.99 -0.06 1.96 -1.07 0.00 0.00 179.97 181.85 2k27 h GLN 98 N 0.78 -0.15 -3.29 0.04 4.20 -0.70 -3.42 115.11 112.57 2k27 h GLN 98 Ca 0.11 0.01 -0.47 0.00 0.06 0.00 0.00 58.65 58.36 2k27 h GLN 98 Cb 0.72 0.03 -0.40 0.00 0.30 0.00 0.00 27.48 28.13 2k27 h GLN 98 CO 0.05 0.03 -0.76 1.21 -0.67 0.00 0.00 178.83 178.70 2k27 s ASN 99 N -5.19 2.38 0.26 1.46 2.47 -0.40 -5.04 114.94 110.87 2k27 s ASN 99 Ca -0.14 -0.58 -0.01 0.00 0.42 0.00 0.00 52.86 52.55 2k27 s ASN 99 Cb 0.04 -0.37 0.34 0.00 -1.45 0.00 0.00 41.25 39.82 2k27 s ASN 99 CO 0.64 -0.31 1.72 1.55 -3.72 0.00 0.00 177.10 176.98 2k27 h PRO 100 N 8.35 0.67 -3.52 0.43 0.13 -1.70 -3.29 132.00 133.06 2k27 h PRO 100 Ca -0.15 -0.22 -0.71 0.00 -0.87 0.00 0.00 66.00 64.05 2k27 h PRO 100 Cb 1.14 -0.06 -0.04 0.00 0.13 0.00 0.00 31.00 32.17 2k27 h PRO 100 CO 0.29 0.78 3.19 0.25 -0.23 0.00 0.00 178.00 182.28 2k27 n THR 101 N -4.16 3.97 -4.41 1.56 -2.24 -1.26 -4.85 114.28 102.88 2k27 n THR 101 Ca 0.01 -3.13 -0.21 0.00 -2.27 0.00 0.00 64.05 58.45 2k27 n THR 101 Cb 0.36 -2.54 -0.10 0.00 -2.10 0.00 0.00 70.33 65.95 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 2.23 1.51 0.14 -0.78 -1.94 -1.24 -5.16 119.30 114.06 2k27 s MET 102 Ca 0.54 -1.73 -0.07 0.00 -1.71 0.00 0.00 55.69 52.71 2k27 s MET 102 Cb 0.15 -1.22 -0.01 0.00 2.01 0.00 0.00 34.83 35.75 2k27 s MET 102 CO -0.07 0.11 0.21 -0.06 -0.01 0.00 0.00 175.02 175.20 2k27 s PHE 103 N -2.94 0.43 0.17 -0.03 0.08 -1.26 -5.03 117.98 109.40 2k27 s PHE 103 Ca 0.28 -0.82 -0.29 0.00 0.12 0.00 0.00 56.93 56.21 2k27 s PHE 103 Cb 0.02 -0.15 -0.03 0.00 -0.57 0.00 0.00 43.02 42.29 2k27 s PHE 103 CO 0.11 -0.63 1.54 0.00 -0.10 0.00 0.00 175.22 176.14 2k27 h ALA 104 N 2.68 -0.48 -0.50 5.36 0.00 -1.91 0.12 119.26 124.52 2k27 h ALA 104 Ca -0.33 0.12 0.10 0.00 0.00 0.00 0.00 54.91 54.80 2k27 h ALA 104 Cb 1.21 1.28 -0.08 0.00 0.00 0.00 0.00 17.79 20.20 2k27 h ALA 104 CO 0.53 -0.93 0.03 -1.49 0.00 0.00 0.00 179.25 177.39 2k27 h TRP 105 N -0.06 0.03 -0.68 0.00 4.06 -1.99 -2.30 115.95 115.01 2k27 h TRP 105 Ca 0.17 0.04 -0.01 0.00 2.06 0.00 0.00 58.89 61.15 2k27 h TRP 105 Cb 0.47 0.07 -0.03 0.00 -1.00 0.00 0.00 29.16 28.66 2k27 h TRP 105 CO -0.96 -0.09 0.39 0.93 -3.56 0.00 0.00 178.44 175.16 2k27 h GLU 106 N 0.15 0.94 -0.11 0.49 4.39 -1.23 -0.41 114.58 118.80 2k27 h GLU 106 Ca 0.26 -0.10 0.01 0.00 0.34 0.00 0.00 59.36 59.86 2k27 h GLU 106 Cb 0.38 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2k27 h GLU 106 CO -0.40 0.70 0.04 0.82 -1.16 0.00 0.00 179.01 179.02 2k27 h ILE 107 N 0.93 0.99 -0.29 3.13 1.08 -0.85 0.69 117.51 123.19 2k27 h ILE 107 Ca 0.24 -0.04 -0.01 0.00 -0.39 0.00 0.00 64.86 64.67 2k27 h ILE 107 Cb 0.02 0.87 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 2k27 h ILE 107 CO -0.04 0.02 0.14 -0.09 -0.69 0.00 0.00 178.15 177.49 2k27 h ARG 108 N 0.10 0.42 -0.84 2.37 2.43 -1.00 -2.57 114.38 115.30 2k27 h ARG 108 Ca 0.05 -0.06 0.07 0.00 -0.81 0.00 0.00 59.98 59.22 2k27 h ARG 108 Cb 0.02 -0.08 -0.06 0.00 -0.42 0.00 0.00 29.97 29.43 2k27 h ARG 108 CO -0.04 0.40 0.51 -0.44 -1.51 0.00 0.00 179.97 178.89 2k27 h ASP 109 N 0.34 0.79 -0.03 -3.80 3.32 -0.93 -0.87 116.42 115.24 2k27 h ASP 109 Ca 0.10 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 2k27 h ASP 109 Cb 0.12 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.52 2k27 h ASP 109 CO -0.01 0.50 0.00 -1.14 -1.72 0.00 0.00 179.24 176.87 2k27 n ARG 110 N -4.65 1.15 -0.03 3.56 0.63 0.22 -0.44 116.66 117.10 2k27 n ARG 110 Ca 0.12 -0.14 -0.06 0.00 -0.92 0.00 0.00 57.85 56.86 2k27 n ARG 110 Cb 0.19 -1.46 -0.02 0.00 0.45 0.00 0.00 32.46 31.63 2k27 n ARG 110 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2k27 n LEU 111 N 0.09 0.52 0.20 6.15 4.77 -0.42 -4.52 117.00 123.79 2k27 n LEU 111 Ca 0.01 0.06 -0.08 0.00 -0.03 0.00 0.00 56.01 55.98 2k27 n LEU 111 Cb 0.33 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 2k27 n LEU 111 CO 0.02 0.14 0.34 -0.07 -1.33 0.00 0.00 177.39 176.49 2k27 h LEU 112 N -0.19 -0.46 -1.26 2.23 3.38 -1.04 -0.39 115.31 117.58 2k27 h LEU 112 Ca -0.14 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 2k27 h LEU 112 Cb 1.13 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.99 2k27 h LEU 112 CO -0.08 -0.23 -0.37 0.00 0.09 0.00 0.00 178.44 177.85 2k27 h ALA 113 N -1.55 1.37 0.00 1.53 0.00 -1.01 -1.97 119.26 117.63 2k27 h ALA 113 Ca -0.06 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 2k27 h ALA 113 Cb 0.42 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2k27 h ALA 113 CO 0.09 0.46 -0.14 1.49 0.00 0.00 0.00 179.25 181.15 2k27 h GLU 114 N 0.00 0.00 -1.36 0.00 4.57 -1.62 -3.47 114.58 112.70 2k27 h GLU 114 Ca -0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2k27 h GLU 114 Cb 0.66 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.25 2k27 h GLU 114 CO 0.05 0.14 0.00 0.41 -1.18 0.00 0.00 179.01 178.43 2k27 n GLY 115 N -0.94 0.52 0.50 1.92 0.00 -0.74 -5.02 105.19 101.43 2k27 n GLY 115 Ca -0.02 -0.36 -0.08 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.86 0.49 -4.07 1.61 0.31 -0.20 -5.06 118.33 110.57 2k27 n VAL 116 Ca 0.00 -0.15 -0.10 0.00 -0.01 0.00 0.00 64.34 64.09 2k27 n VAL 116 Cb 0.36 -1.35 -0.09 0.00 -0.91 0.00 0.00 33.84 31.86 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 -3.02 6.30 0.27 0.00 2.15 -1.26 -4.19 116.67 116.92 2k27 s ASP 118 Ca 0.22 0.80 -0.05 0.00 0.43 0.00 0.00 52.55 53.95 2k27 s ASP 118 Cb 0.05 -2.19 0.51 0.00 -0.30 0.00 0.00 42.92 41.00 2k27 s ASP 118 CO 0.02 -0.46 1.46 -3.20 -0.17 0.00 0.00 175.17 172.81 2k27 n ASN 119 N -1.96 -0.27 0.03 -0.34 5.15 -1.26 -1.75 115.26 114.86 2k27 n ASN 119 Ca -0.01 1.60 -0.12 0.00 -0.60 0.00 0.00 54.58 55.45 2k27 n ASN 119 Cb 0.55 -0.51 -0.14 0.00 -0.53 0.00 0.00 39.78 39.16 2k27 n ASN 119 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 2k27 h ASP 120 N 0.00 0.17 -0.15 1.20 5.19 -2.00 -3.37 116.42 117.45 2k27 h ASP 120 Ca 0.48 -0.24 -0.21 0.00 -0.62 0.00 0.00 57.03 56.44 2k27 h ASP 120 Cb 0.82 -0.05 0.01 0.00 0.18 0.00 0.00 39.33 40.28 2k27 h ASP 120 CO -0.94 1.20 -0.72 0.71 -3.12 0.00 0.00 179.24 176.38 2k27 h THR 121 N 0.03 1.28 -3.70 0.35 1.35 -1.74 -3.45 112.91 107.04 2k27 h THR 121 Ca -0.20 -1.92 -0.57 0.00 -0.55 0.00 0.00 66.41 63.18 2k27 h THR 121 Cb 1.95 1.90 0.16 0.00 -1.73 0.00 0.00 68.15 70.43 2k27 h THR 121 CO 0.13 0.61 0.20 1.33 -0.25 0.00 0.00 175.52 177.54 2k27 n VAL 122 N -3.95 4.03 -1.98 6.82 0.24 -0.81 -4.97 118.33 117.71 2k27 n VAL 122 Ca -0.06 -0.50 -0.36 0.00 -2.04 0.00 0.00 64.34 61.38 2k27 n VAL 122 Cb 0.71 -1.21 0.04 0.00 -1.47 0.00 0.00 33.84 31.91 2k27 n VAL 122 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 2k27 s PRO 123 N -2.92 2.92 0.86 7.34 0.04 -1.26 -4.99 135.00 136.99 2k27 s PRO 123 Ca 0.78 1.84 -0.11 0.00 0.04 0.00 0.00 61.00 63.55 2k27 s PRO 123 Cb -0.40 -1.92 0.11 0.00 0.04 0.00 0.00 34.50 32.33 2k27 s PRO 123 CO 0.45 -1.25 1.09 -1.54 0.04 0.00 0.00 177.00 175.79 2k27 s SER 124 N -1.59 3.73 0.29 6.66 1.04 -1.26 -4.73 113.70 117.84 2k27 s SER 124 Ca 0.78 1.60 0.00 0.00 0.48 0.00 0.00 55.95 58.81 2k27 s SER 124 Cb -0.31 -2.28 0.51 0.00 0.10 0.00 0.00 66.02 64.04 2k27 s SER 124 CO 0.34 -2.49 1.88 0.58 0.98 0.00 0.00 173.24 174.52 2k27 h VAL 125 N -1.45 1.02 -0.06 5.02 2.07 -1.94 -0.82 116.25 120.10 2k27 h VAL 125 Ca -0.48 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 2k27 h VAL 125 Cb 1.27 -0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 2k27 h VAL 125 CO 0.53 0.19 0.02 -1.28 0.02 0.00 0.00 177.57 177.06 2k27 h SER 126 N 1.06 0.08 0.72 0.57 0.87 -1.98 -2.80 113.55 112.06 2k27 h SER 126 Ca 0.44 -0.18 -0.03 0.00 -1.23 0.00 0.00 61.79 60.79 2k27 h SER 126 Cb 0.30 -0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.24 2k27 h SER 126 CO -0.19 0.23 -0.39 0.28 -0.53 0.00 0.00 176.83 176.23 2k27 h SER 127 N -0.08 -0.97 -0.99 6.23 0.02 -1.66 -1.21 113.55 114.90 2k27 h SER 127 Ca 0.02 0.04 0.16 0.00 -0.84 0.00 0.00 61.79 61.17 2k27 h SER 127 Cb 0.18 0.27 -0.10 0.00 0.14 0.00 0.00 62.40 62.89 2k27 h SER 127 CO -0.00 -0.63 0.60 0.16 -1.14 0.00 0.00 176.83 175.82 2k27 h ILE 128 N -1.02 0.79 -0.24 3.27 3.07 -1.30 0.13 117.51 122.21 2k27 h ILE 128 Ca -0.10 -0.29 0.02 0.00 1.55 0.00 0.00 64.86 66.04 2k27 h ILE 128 Cb 0.80 -0.12 -0.02 0.00 -0.27 0.00 0.00 36.82 37.21 2k27 h ILE 128 CO 0.13 0.15 0.10 -1.13 -1.05 0.00 0.00 178.15 176.36 2k27 h ASN 129 N 0.84 0.14 -0.67 2.16 -0.00 -1.34 -1.24 115.58 115.48 2k27 h ASN 129 Ca 0.54 0.02 0.03 0.00 -0.00 0.00 0.00 56.30 56.88 2k27 h ASN 129 Cb 0.71 -0.01 -0.04 0.00 -0.00 0.00 0.00 38.32 38.98 2k27 h ASN 129 CO -0.34 0.11 0.41 0.03 -0.00 0.00 0.00 177.43 177.65 2k27 h ARG 130 N 0.22 0.79 0.21 6.67 2.47 0.46 -0.85 114.38 124.36 2k27 h ARG 130 Ca 0.10 -0.05 0.01 0.00 -1.26 0.00 0.00 59.98 58.78 2k27 h ARG 130 Cb 0.04 -0.18 -0.03 0.00 -1.65 0.00 0.00 29.97 28.16 2k27 h ARG 130 CO -0.08 0.52 -0.29 0.82 0.56 0.00 0.00 179.97 181.50 2k27 h ILE 131 N 0.81 0.39 -0.46 2.04 5.03 -0.84 -0.81 117.51 123.67 2k27 h ILE 131 Ca 0.27 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 65.09 2k27 h ILE 131 Cb 0.03 0.39 -0.10 0.00 -3.03 0.00 0.00 36.82 34.11 2k27 h ILE 131 CO -0.11 0.00 -0.41 0.40 -0.68 0.00 0.00 178.15 177.35 2k27 h ILE 132 N -0.56 0.12 -0.56 -0.67 2.04 -0.90 -1.32 117.51 115.67 2k27 h ILE 132 Ca 0.01 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.98 2k27 h ILE 132 Cb 0.54 0.12 -0.09 0.00 -0.74 0.00 0.00 36.82 36.66 2k27 h ILE 132 CO -0.10 0.00 0.05 0.03 0.00 0.00 0.00 178.15 178.12 2k27 h ARG 133 N -0.28 0.16 0.00 2.37 3.08 -0.97 -2.15 114.38 116.58 2k27 h ARG 133 Ca 0.16 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.20 2k27 h ARG 133 Cb 0.57 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2k27 h ARG 133 CO -0.60 0.11 0.00 0.25 -1.07 0.00 0.00 179.97 178.65 2k27 n THR 134 N -5.21 0.40 0.90 2.04 -2.24 -0.33 -0.80 114.28 109.06 2k27 n THR 134 Ca 0.07 0.10 0.10 0.00 -2.27 0.00 0.00 64.05 62.06 2k27 n THR 134 Cb 0.31 -0.74 0.51 0.00 -2.10 0.00 0.00 70.33 68.30 2k27 n THR 134 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2k27 n LYS 135 N -1.35 0.18 -2.35 -0.78 4.76 -0.72 -4.94 118.16 112.96 2k27 n LYS 135 Ca 0.09 0.10 -0.00 0.00 -2.87 0.00 0.00 58.31 55.63 2k27 n LYS 135 Cb 0.19 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.88 2k27 n LYS 135 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2k27 n VAL 136 N -1.38 -5.98 -2.45 -0.18 0.31 0.02 -4.93 118.33 103.74 2k27 n VAL 136 Ca 0.08 -0.13 -0.43 0.00 -0.01 0.00 0.00 64.34 63.85 2k27 n VAL 136 Cb 0.20 -5.36 -0.00 0.00 -0.91 0.00 0.00 33.84 27.77 2k27 n VAL 136 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2k27 n GLN 137 N -1.42 3.14 -1.94 5.55 -0.00 -1.23 -4.99 117.38 116.49 2k27 n GLN 137 Ca -0.00 -3.18 -0.38 0.00 -0.00 0.00 0.00 57.00 53.44 2k27 n GLN 137 Cb 0.50 -3.47 0.02 0.00 -0.00 0.00 0.00 30.24 27.29 2k27 n GLN 137 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2k27 s GLN 138 N 4.09 3.44 0.82 2.61 -1.52 -1.26 -5.01 119.66 122.83 2k27 s GLN 138 Ca 0.53 2.12 -0.11 0.00 -1.95 0.00 0.00 55.36 55.95 2k27 s GLN 138 Cb 0.05 -2.39 0.08 0.00 -0.22 0.00 0.00 33.01 30.54 2k27 s GLN 138 CO 0.06 -0.91 1.09 -1.25 -0.25 0.00 0.00 175.29 174.03 2k27 s PRO 139 N -2.74 1.87 -0.85 2.91 0.04 -1.26 -4.92 135.00 130.06 2k27 s PRO 139 Ca 0.67 0.74 -0.07 0.00 0.04 0.00 0.00 61.00 62.38 2k27 s PRO 139 Cb -0.37 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.16 2k27 s PRO 139 CO 0.45 -1.79 3.14 1.19 0.04 0.00 0.00 177.00 180.03 2k27 n PHE 140 N -3.57 1.42 -3.60 0.56 3.72 -1.26 -4.77 117.46 109.97 2k27 n PHE 140 Ca 0.07 -2.33 -0.11 0.00 -0.05 0.00 0.00 57.45 55.02 2k27 n PHE 140 Cb 0.56 -1.97 -0.06 0.00 -0.94 0.00 0.00 39.48 37.07 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 1.73 -0.48 -0.32 4.37 3.84 -1.26 -5.13 114.94 117.68 2k27 s ASN 141 Ca 0.66 0.74 0.02 0.00 0.21 0.00 0.00 52.86 54.49 2k27 s ASN 141 Cb 0.25 0.68 0.09 0.00 -0.55 0.00 0.00 41.25 41.72 2k27 s ASN 141 CO -0.06 -0.30 0.03 -0.22 -2.79 0.00 0.00 177.10 173.76 2k27 s LEU 142 N -0.45 4.40 -1.32 3.21 2.96 -1.26 -5.06 118.68 121.17 2k27 s LEU 142 Ca -0.01 -1.84 -0.18 0.00 -0.22 0.00 0.00 54.13 51.88 2k27 s LEU 142 Cb -0.03 -1.65 0.05 0.00 0.50 0.00 0.00 46.19 45.07 2k27 s LEU 142 CO -0.00 -0.34 1.83 -0.81 -1.32 0.00 0.00 176.35 175.71 2k27 n PRO 143 N 4.39 3.05 -2.20 0.98 -0.04 -1.26 -4.96 135.00 134.96 2k27 n PRO 143 Ca -0.04 -3.11 -0.41 0.00 -0.04 0.00 0.00 63.50 59.90 2k27 n PRO 143 Cb 0.42 -3.47 -0.03 0.00 -0.04 0.00 0.00 33.50 30.38 2k27 n PRO 143 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 2k27 s MET 144 N 4.17 4.40 0.88 0.54 -1.94 -1.26 -5.04 119.30 121.04 2k27 s MET 144 Ca 0.54 2.09 -0.13 0.00 -1.71 0.00 0.00 55.69 56.48 2k27 s MET 144 Cb 0.06 -3.15 0.12 0.00 2.01 0.00 0.00 34.83 33.87 2k27 s MET 144 CO 0.05 -0.20 1.17 0.16 -0.01 0.00 0.00 175.02 176.19 2k27 s ASP 145 N -0.02 3.83 -0.01 3.03 -4.77 -1.26 -5.12 116.67 112.36 2k27 s ASP 145 Ca 0.53 0.83 -0.10 0.00 -3.30 0.00 0.00 52.55 50.51 2k27 s ASP 145 Cb -0.37 -1.33 0.01 0.00 -1.09 0.00 0.00 42.92 40.14 2k27 s ASP 145 CO 0.43 -2.33 0.21 -0.44 0.70 0.00 0.00 175.17 173.74 2k27 s SER 146 N -4.31 -0.07 0.00 2.11 0.01 -1.26 -5.17 113.70 105.01 2k27 s SER 146 Ca 0.64 -0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.83 2k27 s SER 146 Cb -0.12 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.36 2k27 s SER 146 CO 0.52 -0.39 0.00 0.61 0.41 0.00 0.00 173.24 174.38 2k27 n GLY 147 N 1.42 1.18 3.53 3.44 0.00 -1.26 -5.19 105.19 108.32 2k27 n GLY 147 Ca -0.22 0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.44 -1.83 1.04 4.61 0.00 -1.26 -5.19 121.76 118.70 2k27 s ALA 148 Ca 0.00 1.34 -0.17 0.00 0.00 0.00 0.00 51.96 53.13 2k27 s ALA 148 Cb 0.00 -0.17 0.23 0.00 0.00 0.00 0.00 23.12 23.17 2k27 s ALA 148 CO 0.00 -0.40 1.25 -1.25 0.00 0.00 0.00 175.76 175.36 2k27 s PRO 149 N -1.52 0.05 0.19 0.00 0.04 -1.26 -5.11 135.00 127.39 2k27 s PRO 149 Ca -0.05 -0.29 -0.23 0.00 0.04 0.00 0.00 61.00 60.47 2k27 s PRO 149 Cb -0.00 -1.77 0.07 0.00 0.04 0.00 0.00 34.50 32.84 2k27 s PRO 149 CO 0.03 -2.83 1.01 0.20 0.04 0.00 0.00 177.00 175.45 2k27 s GLY 150 N -4.56 0.03 0.00 0.56 0.00 -1.26 -5.19 107.32 96.90 2k27 s GLY 150 Ca 0.73 -0.23 0.00 0.00 0.00 0.00 0.00 44.72 45.22 2k27 s GLY 150 CO 0.54 1.55 0.00 0.61 0.00 0.00 0.00 173.10 175.80 2k27 n GLY 151 N -0.62 -1.22 2.70 0.20 0.00 -1.26 -5.11 105.19 99.88 2k27 n GLY 151 Ca -0.04 -0.82 -0.06 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 -0.77 3.78 -0.02 0.00 -1.26 -5.16 105.19 101.77 2k27 n GLY 152 Ca 0.00 0.55 -0.36 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.88 6.61 0.24 1.61 0.01 -1.26 -5.06 113.70 114.97 2k27 s SER 153 Ca 0.26 2.09 -0.22 0.00 1.31 0.00 0.00 55.95 59.39 2k27 s SER 153 Cb 0.24 -2.59 0.04 0.00 0.21 0.00 0.00 66.02 63.92 2k27 s SER 153 CO -0.15 -0.59 0.83 -1.38 0.41 0.00 0.00 173.24 172.35 2k27 s HIS 154 N -1.66 -0.13 1.08 2.43 -3.43 -1.26 -5.18 115.29 107.14 2k27 s HIS 154 Ca 0.59 -0.28 -0.15 0.00 -0.80 0.00 0.00 55.06 54.42 2k27 s HIS 154 Cb -0.23 0.69 0.23 0.00 -1.43 0.00 0.00 32.58 31.84 2k27 s HIS 154 CO 0.29 -1.10 1.11 -3.38 -2.00 0.00 0.00 174.74 169.65 2k27 s HIS 155 N -3.51 1.45 0.03 0.38 -3.43 -1.26 -5.09 115.29 103.86 2k27 s HIS 155 Ca 0.12 0.75 0.08 0.00 -0.80 0.00 0.00 55.06 55.22 2k27 s HIS 155 Cb -0.04 -3.38 -0.03 0.00 -1.43 0.00 0.00 32.58 27.71 2k27 s HIS 155 CO 0.06 -3.28 -0.25 -1.58 -2.00 0.00 0.00 174.74 167.68 2k27 s HIS 156 N -3.03 2.18 0.00 0.38 2.46 -1.26 -5.04 115.29 110.98 2k27 s HIS 156 Ca 0.68 -0.40 0.00 0.00 0.47 0.00 0.00 55.06 55.80 2k27 s HIS 156 Cb -0.14 -1.33 0.00 0.00 -0.13 0.00 0.00 32.58 30.97 2k27 s HIS 156 CO 0.57 0.07 0.00 1.58 -2.47 0.00 0.00 174.74 174.49 2k27 n HIS 157 N 1.99 0.00 0.07 3.88 -0.00 -1.26 -4.69 115.22 115.20 2k27 n HIS 157 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.55 2k27 n HIS 157 Cb 0.52 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.51 2k27 n HIS 157 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2k27 n HIS 158 N 0.00 -2.91 1.89 1.57 -0.00 -1.26 -5.30 115.22 109.20 2k27 n HIS 158 Ca 0.00 0.45 0.15 0.00 0.46 0.00 0.00 57.72 58.79 2k27 n HIS 158 Cb 0.00 1.45 0.90 0.00 -0.12 0.00 0.00 29.99 32.21 2k27 n HIS 158 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38