#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 4.34 0.12 0.03 0.04 -1.26 -5.04 135.00 133.23 2k27 s PRO 2 Ca 0.00 1.79 -0.25 0.00 0.04 0.00 0.00 61.00 62.58 2k27 s PRO 2 Cb 0.00 -2.89 0.08 0.00 0.04 0.00 0.00 34.50 31.73 2k27 s PRO 2 CO 0.00 -0.06 0.74 -3.38 0.04 0.00 0.00 177.00 174.34 2k27 s HIS 3 N -1.34 -0.41 0.26 0.56 -3.43 -1.26 -5.19 115.29 104.47 2k27 s HIS 3 Ca 0.51 0.19 -0.03 0.00 -0.80 0.00 0.00 55.06 54.93 2k27 s HIS 3 Cb -0.30 0.57 -0.02 0.00 -1.43 0.00 0.00 32.58 31.40 2k27 s HIS 3 CO 0.38 -0.79 0.30 -0.80 -2.00 0.00 0.00 174.74 171.84 2k27 s ASN 4 N -2.69 0.43 0.01 7.38 -0.87 -1.26 -5.19 114.94 112.75 2k27 s ASN 4 Ca 0.04 -1.34 -0.09 0.00 -1.57 0.00 0.00 52.86 49.90 2k27 s ASN 4 Cb -0.02 0.51 0.01 0.00 -0.02 0.00 0.00 41.25 41.73 2k27 s ASN 4 CO -0.08 -1.03 0.19 -0.55 -2.57 0.00 0.00 177.10 173.05 2k27 s SER 5 N -3.17 -0.01 0.08 -1.22 0.15 -1.26 -5.18 113.70 103.09 2k27 s SER 5 Ca 0.33 -0.20 0.00 0.00 0.70 0.00 0.00 55.95 56.78 2k27 s SER 5 Cb 0.03 0.25 -0.04 0.00 -1.71 0.00 0.00 66.02 64.55 2k27 s SER 5 CO 0.15 -0.44 -0.05 0.27 1.20 0.00 0.00 173.24 174.37 2k27 s ILE 6 N -1.74 0.47 0.02 6.45 -0.00 -1.26 -5.18 121.20 119.96 2k27 s ILE 6 Ca -0.12 -1.88 -0.03 0.00 -0.00 0.00 0.00 60.65 58.62 2k27 s ILE 6 Cb -0.05 -1.62 -0.01 0.00 -0.00 0.00 0.00 42.46 40.77 2k27 s ILE 6 CO 0.00 -0.92 0.04 -0.13 -0.00 0.00 0.00 174.94 173.94 2k27 s ARG 7 N -3.88 0.45 0.09 0.37 0.52 -1.26 -5.18 118.95 110.07 2k27 s ARG 7 Ca 0.10 -0.65 -0.24 0.00 -0.52 0.00 0.00 55.73 54.42 2k27 s ARG 7 Cb 0.07 0.17 0.06 0.00 0.52 0.00 0.00 34.95 35.77 2k27 s ARG 7 CO -0.07 -0.10 0.58 0.45 0.02 0.00 0.00 175.30 176.19 2k27 s SER 8 N -1.75 -0.54 0.00 0.23 0.15 -1.26 -5.12 113.70 105.42 2k27 s SER 8 Ca -0.11 0.15 0.00 0.00 0.70 0.00 0.00 55.95 56.69 2k27 s SER 8 Cb -0.06 0.56 0.00 0.00 -1.71 0.00 0.00 66.02 64.81 2k27 s SER 8 CO -0.02 -0.84 0.00 0.61 1.20 0.00 0.00 173.24 174.19 2k27 n GLY 9 N 0.04 -1.82 3.44 9.45 0.00 -1.26 -5.19 105.19 109.85 2k27 n GLY 9 Ca -0.18 0.82 -0.15 0.00 0.00 0.00 0.00 46.02 46.51 2k27 n GLY 9 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k27 s HIS 10 N 0.00 -0.53 0.17 1.61 5.04 -1.26 -5.19 115.29 115.14 2k27 s HIS 10 Ca 0.00 0.68 -0.23 0.00 -1.54 0.00 0.00 55.06 53.97 2k27 s HIS 10 Cb 0.00 0.40 0.08 0.00 0.04 0.00 0.00 32.58 33.10 2k27 s HIS 10 CO 0.00 -0.67 1.06 0.20 -2.34 0.00 0.00 174.74 172.99 2k27 s GLY 11 N -1.83 0.09 -0.39 1.59 0.00 -1.26 -5.12 107.32 100.40 2k27 s GLY 11 Ca -0.06 -0.31 0.03 0.00 0.00 0.00 0.00 44.72 44.38 2k27 s GLY 11 CO 0.00 2.71 1.17 0.61 0.00 0.00 0.00 173.10 177.60 2k27 n GLY 12 N -0.72 -0.77 3.56 0.20 0.00 -1.26 -5.09 105.19 101.11 2k27 n GLY 12 Ca -0.02 0.56 -0.40 0.00 0.00 0.00 0.00 46.02 46.15 2k27 n GLY 12 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k27 s LEU 13 N -0.98 3.41 -0.16 0.99 1.02 -1.26 -4.93 118.68 116.78 2k27 s LEU 13 Ca 0.25 -1.19 -0.16 0.00 0.02 0.00 0.00 54.13 53.05 2k27 s LEU 13 Cb 0.25 -2.57 0.04 0.00 0.02 0.00 0.00 46.19 43.94 2k27 s LEU 13 CO -0.15 -1.63 0.46 0.21 0.02 0.00 0.00 176.35 175.26 2k27 s ASN 14 N 4.86 -0.47 -0.02 2.29 2.47 -1.26 -5.17 114.94 117.64 2k27 s ASN 14 Ca 0.45 0.88 -0.29 0.00 0.42 0.00 0.00 52.86 54.32 2k27 s ASN 14 Cb -0.02 0.90 0.08 0.00 -1.45 0.00 0.00 41.25 40.76 2k27 s ASN 14 CO -0.04 -0.18 0.74 0.00 -3.72 0.00 0.00 177.10 173.89 2k27 s GLN 15 N 0.13 1.01 0.11 0.43 -2.07 -1.26 -5.19 119.66 112.81 2k27 s GLN 15 Ca -0.01 0.03 -0.25 0.00 -1.82 0.00 0.00 55.36 53.31 2k27 s GLN 15 Cb -0.03 0.47 0.08 0.00 -1.09 0.00 0.00 33.01 32.44 2k27 s GLN 15 CO 0.01 -0.36 0.73 -0.48 -1.32 0.00 0.00 175.29 173.87 2k27 s LEU 16 N -1.63 -0.46 0.00 2.60 2.34 -1.26 -5.19 118.68 115.09 2k27 s LEU 16 Ca -0.05 -0.06 0.00 0.00 0.06 0.00 0.00 54.13 54.08 2k27 s LEU 16 Cb -0.00 2.38 0.00 0.00 -0.56 0.00 0.00 46.19 48.00 2k27 s LEU 16 CO 0.02 -0.86 0.00 0.61 -1.06 0.00 0.00 176.35 175.06 2k27 n GLY 17 N -0.34 -1.49 0.62 -3.48 0.00 -1.26 -5.17 105.19 94.08 2k27 n GLY 17 Ca -0.13 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 -0.10 -1.55 2.48 -0.02 0.00 -1.26 -4.89 105.19 99.85 2k27 n GLY 18 Ca 0.00 -0.75 -0.40 0.00 0.00 0.00 0.00 46.02 44.87 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 1.07 6.82 -2.17 4.61 0.00 -1.26 -4.96 120.51 124.62 2k27 n ALA 19 Ca 0.00 -3.88 -0.37 0.00 0.00 0.00 0.00 53.44 49.19 2k27 n ALA 19 Cb 0.00 -3.10 -0.06 0.00 0.00 0.00 0.00 19.45 16.29 2k27 n ALA 19 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2k27 s PHE 20 N 0.71 3.73 0.25 0.00 -0.12 -1.26 -4.44 117.98 116.84 2k27 s PHE 20 Ca 0.58 1.34 0.00 0.00 -0.05 0.00 0.00 56.93 58.80 2k27 s PHE 20 Cb 0.17 -2.57 0.00 0.00 -0.63 0.00 0.00 43.02 39.99 2k27 s PHE 20 CO -0.07 0.45 0.00 0.28 -0.05 0.00 0.00 175.22 175.83 2k27 n VAL 21 N 1.15 -3.32 -3.43 -2.49 0.31 -1.26 -4.91 118.33 104.37 2k27 n VAL 21 Ca -0.06 1.29 -0.17 0.00 -0.01 0.00 0.00 64.34 65.40 2k27 n VAL 21 Cb 0.51 -1.90 0.02 0.00 -0.91 0.00 0.00 33.84 31.56 2k27 n VAL 21 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 2k27 n ASN 22 N -0.66 -6.28 0.00 4.52 4.05 -1.26 -4.68 115.26 110.95 2k27 n ASN 22 Ca 0.00 -0.64 0.00 0.00 0.45 0.00 0.00 54.58 54.39 2k27 n ASN 22 Cb 0.00 -3.94 0.00 0.00 1.23 0.00 0.00 39.78 37.07 2k27 n ASN 22 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2k27 n GLY 23 N -1.65 0.69 2.28 8.20 0.00 -1.26 -5.12 105.19 108.33 2k27 n GLY 23 Ca -0.10 -0.69 -0.16 0.00 0.00 0.00 0.00 46.02 45.07 2k27 n GLY 23 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2k27 n ARG 24 N 0.00 1.00 -1.29 1.61 0.00 -1.26 -4.70 116.66 112.02 2k27 n ARG 24 Ca 0.00 -3.28 -0.39 0.00 -0.00 0.00 0.00 57.85 54.18 2k27 n ARG 24 Cb 0.00 -1.60 -0.03 0.00 -0.00 0.00 0.00 32.46 30.83 2k27 n ARG 24 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 2k27 n PRO 25 N 0.23 2.26 -3.07 2.89 -0.04 -1.26 -4.90 135.00 131.11 2k27 n PRO 25 Ca 0.22 -2.06 -0.22 0.00 -0.04 0.00 0.00 63.50 61.39 2k27 n PRO 25 Cb 0.68 -2.95 0.01 0.00 -0.04 0.00 0.00 33.50 31.20 2k27 n PRO 25 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2k27 s LEU 26 N 1.23 3.69 0.00 1.53 1.02 -1.26 -5.06 118.68 119.83 2k27 s LEU 26 Ca 0.52 0.17 0.00 0.00 0.02 0.00 0.00 54.13 54.84 2k27 s LEU 26 Cb 0.14 -3.06 0.00 0.00 0.02 0.00 0.00 46.19 43.29 2k27 s LEU 26 CO 0.01 -0.67 0.00 -0.81 0.02 0.00 0.00 176.35 174.90 2k27 n PRO 27 N -2.00 2.16 -0.35 1.29 -0.04 -1.26 -4.18 135.00 130.61 2k27 n PRO 27 Ca 0.01 0.00 0.32 0.00 -0.04 0.00 0.00 63.50 63.79 2k27 n PRO 27 Cb 0.58 0.00 0.67 0.00 -0.04 0.00 0.00 33.50 34.70 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 0.13 -1.00 0.54 4.22 -1.84 -0.73 114.58 115.91 2k27 h GLU 28 Ca 0.00 -0.01 0.29 0.00 0.08 0.00 0.00 59.36 59.72 2k27 h GLU 28 Cb 0.00 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.18 2k27 h GLU 28 CO 0.00 0.09 0.76 -0.24 -2.18 0.00 0.00 179.01 177.43 2k27 h VAL 29 N 0.14 0.43 -0.44 0.32 3.04 -1.94 0.89 116.25 118.68 2k27 h VAL 29 Ca 0.61 0.00 0.09 0.00 -1.01 0.00 0.00 66.70 66.39 2k27 h VAL 29 Cb 2.11 0.46 -0.09 0.00 -2.01 0.00 0.00 31.29 31.76 2k27 h VAL 29 CO -0.14 0.00 -0.19 0.58 -1.01 0.00 0.00 177.57 176.81 2k27 h VAL 30 N 0.00 0.41 -0.11 1.51 2.07 -1.37 -0.34 116.25 118.42 2k27 h VAL 30 Ca 0.47 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.04 2k27 h VAL 30 Cb 1.98 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 32.10 2k27 h VAL 30 CO -0.00 0.00 -0.27 -0.09 0.02 0.00 0.00 177.57 177.22 2k27 h ARG 31 N -0.11 -0.34 -0.80 1.57 1.12 -1.03 -1.40 114.38 113.38 2k27 h ARG 31 Ca 0.21 0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 59.10 2k27 h ARG 31 Cb 0.43 0.08 -0.04 0.00 -0.01 0.00 0.00 29.97 30.43 2k27 h ARG 31 CO -0.51 -0.23 0.49 1.96 -3.11 0.00 0.00 179.97 178.57 2k27 h GLN 32 N -0.36 1.09 -0.41 0.20 1.08 -1.43 -0.56 115.11 114.72 2k27 h GLN 32 Ca 0.09 -0.10 -0.12 0.00 -1.45 0.00 0.00 58.65 57.07 2k27 h GLN 32 Cb 0.50 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 2k27 h GLN 32 CO -0.31 0.77 -0.22 0.00 -0.95 0.00 0.00 178.83 178.12 2k27 h ARG 33 N 1.10 0.88 -0.18 1.46 3.08 -0.86 0.05 114.38 119.91 2k27 h ARG 33 Ca 0.29 -0.40 0.01 0.00 0.07 0.00 0.00 59.98 59.95 2k27 h ARG 33 Cb -0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2k27 h ARG 33 CO -0.05 1.04 0.09 0.82 -1.07 0.00 0.00 179.97 180.80 2k27 h ILE 34 N 0.70 1.00 -0.20 2.04 2.04 -0.91 -1.27 117.51 120.91 2k27 h ILE 34 Ca 0.09 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 65.90 2k27 h ILE 34 Cb 0.79 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 2k27 h ILE 34 CO 0.07 0.04 0.05 0.58 0.00 0.00 0.00 178.15 178.89 2k27 h VAL 35 N 0.20 0.93 0.12 1.67 2.07 -0.99 -0.74 116.25 119.51 2k27 h VAL 35 Ca 0.07 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.55 2k27 h VAL 35 Cb 0.01 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 2k27 h VAL 35 CO -0.05 0.03 -0.15 -0.78 0.02 0.00 0.00 177.57 176.64 2k27 h ASP 36 N 0.14 -0.40 0.11 0.57 3.58 -0.79 0.98 116.42 120.61 2k27 h ASP 36 Ca 0.09 0.04 -0.00 0.00 0.42 0.00 0.00 57.03 57.58 2k27 h ASP 36 Cb 0.07 0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.26 2k27 h ASP 36 CO -0.10 -0.22 -0.06 0.25 -2.88 0.00 0.00 179.24 176.23 2k27 h LEU 37 N -0.31 -0.14 -1.35 2.28 6.46 -1.15 -2.70 115.31 118.39 2k27 h LEU 37 Ca 0.01 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.80 2k27 h LEU 37 Cb 0.31 0.04 -0.04 0.00 -0.73 0.00 0.00 40.66 40.24 2k27 h LEU 37 CO -0.06 -0.10 0.45 0.00 -0.62 0.00 0.00 178.44 178.12 2k27 h ALA 38 N 0.74 1.57 0.00 1.25 0.00 -1.00 -2.89 119.26 118.93 2k27 h ALA 38 Ca -0.01 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2k27 h ALA 38 Cb 0.12 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 2k27 h ALA 38 CO 0.02 0.37 -0.02 1.25 0.00 0.00 0.00 179.25 180.87 2k27 h HIS 39 N 0.86 0.00 0.00 0.00 -0.00 -0.46 -0.52 115.15 115.03 2k27 h HIS 39 Ca 0.26 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.62 2k27 h HIS 39 Cb -0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.40 2k27 h HIS 39 CO -0.00 0.02 -0.05 -0.56 -0.00 0.00 0.00 177.93 177.33 2k27 h GLN 40 N 0.00 0.00 -1.86 5.26 3.07 -1.51 -3.47 115.11 116.60 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 0.04 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.60 2k27 h GLN 40 CO 0.00 0.05 0.00 0.41 0.09 0.00 0.00 178.83 179.39 2k27 n GLY 41 N -0.83 0.49 3.83 0.06 0.00 -0.20 -5.07 105.19 103.47 2k27 n GLY 41 Ca -0.02 -0.42 -0.38 0.00 0.00 0.00 0.00 46.02 45.21 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 -2.78 5.14 0.52 1.61 0.11 -1.26 -5.08 120.40 118.66 2k27 s VAL 42 Ca 0.00 0.72 -0.20 0.00 -2.93 0.00 0.00 61.98 59.57 2k27 s VAL 42 Cb 0.00 -3.66 -0.07 0.00 -1.53 0.00 0.00 36.38 31.12 2k27 s VAL 42 CO 0.00 0.55 1.10 0.00 -3.33 0.00 0.00 175.10 173.43 2k27 s ARG 43 N -0.84 3.51 0.48 1.54 1.70 -1.26 -4.83 118.95 119.26 2k27 s ARG 43 Ca 0.22 1.54 0.18 0.00 -0.47 0.00 0.00 55.73 57.20 2k27 s ARG 43 Cb -0.16 -2.04 1.20 0.00 -0.57 0.00 0.00 34.95 33.38 2k27 s ARG 43 CO 0.11 -0.71 2.01 -1.00 -1.08 0.00 0.00 175.30 174.63 2k27 h PRO 44 N 1.33 0.19 -0.69 3.89 0.13 -1.98 -0.65 132.00 134.22 2k27 h PRO 44 Ca -0.50 -0.01 0.11 0.00 -0.87 0.00 0.00 66.00 64.72 2k27 h PRO 44 Cb 1.25 -0.04 -0.04 0.00 0.13 0.00 0.00 31.00 32.29 2k27 h PRO 44 CO 0.58 0.13 0.46 0.00 -0.23 0.00 0.00 178.00 178.93 2k27 n ASP 46 N -4.48 0.49 -0.32 0.00 8.00 -0.34 -3.84 116.55 116.07 2k27 n ASP 46 Ca 0.12 0.23 -0.02 0.00 0.71 0.00 0.00 54.79 55.83 2k27 n ASP 46 Cb 0.38 0.45 0.11 0.00 -0.02 0.00 0.00 41.12 42.04 2k27 n ASP 46 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2k27 h ILE 47 N 0.00 1.15 -0.98 0.53 2.04 -0.99 -1.80 117.51 117.47 2k27 h ILE 47 Ca -0.37 -0.38 0.18 0.00 1.00 0.00 0.00 64.86 65.30 2k27 h ILE 47 Cb 2.03 -0.04 -0.09 0.00 -0.74 0.00 0.00 36.82 37.98 2k27 h ILE 47 CO 0.05 0.20 0.61 0.28 0.00 0.00 0.00 178.15 179.30 2k27 h SER 48 N 1.10 0.70 0.14 1.72 0.02 -1.17 -0.26 113.55 115.80 2k27 h SER 48 Ca 0.34 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.36 2k27 h SER 48 Cb -0.01 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2k27 h SER 48 CO -0.11 0.27 -0.07 0.03 -1.14 0.00 0.00 176.83 175.82 2k27 h ARG 49 N 0.70 -0.18 -0.98 3.45 3.08 -1.46 0.12 114.38 119.10 2k27 h ARG 49 Ca 0.54 0.01 0.09 0.00 0.07 0.00 0.00 59.98 60.69 2k27 h ARG 49 Cb 0.92 0.04 -0.07 0.00 0.08 0.00 0.00 29.97 30.94 2k27 h ARG 49 CO -0.31 0.24 0.63 1.96 -1.07 0.00 0.00 179.97 181.42 2k27 h GLN 50 N -0.70 1.02 0.00 0.04 4.20 -0.85 -1.85 115.11 116.97 2k27 h GLN 50 Ca -0.02 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.63 2k27 h GLN 50 Cb 0.51 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 28.06 2k27 h GLN 50 CO 0.03 0.68 -0.78 -0.07 -0.67 0.00 0.00 178.83 178.02 2k27 h LEU 51 N 1.05 0.00 -2.46 1.46 -0.00 -1.12 -3.49 115.31 110.74 2k27 h LEU 51 Ca 0.45 -0.03 -0.17 0.00 -0.00 0.00 0.00 57.88 58.13 2k27 h LEU 51 Cb 0.34 0.00 0.14 0.00 -0.00 0.00 0.00 40.66 41.13 2k27 h LEU 51 CO -0.21 0.02 -0.59 0.54 -0.00 0.00 0.00 178.44 178.20 2k27 n ARG 52 N -2.66 -1.87 0.00 1.13 3.00 0.23 -4.68 116.66 111.81 2k27 n ARG 52 Ca 0.01 0.98 0.00 0.00 -0.01 0.00 0.00 57.85 58.84 2k27 n ARG 52 Cb 0.53 -5.55 0.00 0.00 0.00 0.00 0.00 32.46 27.44 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 -2.74 0.00 -4.39 1.55 0.24 -0.09 -5.03 118.33 107.87 2k27 n VAL 53 Ca -0.05 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 62.05 2k27 n VAL 53 Cb 0.58 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.85 2k27 n VAL 53 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2k27 s SER 54 N 1.36 1.85 0.21 -1.34 0.01 -1.26 -4.66 113.70 109.88 2k27 s SER 54 Ca 0.00 -1.47 -0.09 0.00 1.31 0.00 0.00 55.95 55.69 2k27 s SER 54 Cb 0.00 0.21 0.28 0.00 0.21 0.00 0.00 66.02 66.72 2k27 s SER 54 CO 0.00 -0.77 1.75 0.45 0.41 0.00 0.00 173.24 175.08 2k27 h HIS 55 N 2.17 0.46 -0.92 2.43 3.86 -1.97 -0.34 115.15 120.84 2k27 h HIS 55 Ca -0.37 0.03 0.08 0.00 -1.16 0.00 0.00 60.37 58.95 2k27 h HIS 55 Cb 1.25 -0.11 -0.07 0.00 1.06 0.00 0.00 27.41 29.54 2k27 h HIS 55 CO 0.80 0.14 0.57 0.78 0.86 0.00 0.00 177.93 181.09 2k27 h GLY 56 N 0.46 1.43 0.77 2.45 0.00 -1.99 -2.70 103.07 103.48 2k27 h GLY 56 Ca 0.31 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 47.14 2k27 h GLY 56 CO -0.29 0.24 -0.32 0.00 0.00 0.00 0.00 176.54 176.17 2k27 h VAL 58 N -0.01 0.24 -0.94 0.00 2.07 -0.79 0.32 116.25 117.14 2k27 h VAL 58 Ca -0.01 -0.03 0.26 0.00 0.82 0.00 0.00 66.70 67.74 2k27 h VAL 58 Cb 0.93 0.15 -0.14 0.00 -1.52 0.00 0.00 31.29 30.71 2k27 h VAL 58 CO 0.07 0.02 0.44 -1.28 0.02 0.00 0.00 177.57 176.83 2k27 h SER 59 N 0.09 0.35 0.00 0.57 0.87 -1.60 -0.59 113.55 113.23 2k27 h SER 59 Ca 0.47 0.18 -0.24 0.00 -1.23 0.00 0.00 61.79 60.97 2k27 h SER 59 Cb 0.88 0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.96 2k27 h SER 59 CO -0.75 -0.07 -1.47 0.29 -0.53 0.00 0.00 176.83 174.30 2k27 n LYS 60 N -5.07 0.55 -0.02 2.24 5.02 -0.37 -3.85 118.16 116.65 2k27 n LYS 60 Ca 0.26 0.45 -0.01 0.00 -2.02 0.00 0.00 58.31 56.98 2k27 n LYS 60 Cb 0.78 -1.64 0.26 0.00 -0.02 0.00 0.00 35.03 34.41 2k27 n LYS 60 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2k27 h ILE 61 N -1.00 1.21 -0.13 -0.18 1.08 -0.89 -1.97 117.51 115.64 2k27 h ILE 61 Ca -0.36 -0.88 -0.00 0.00 -0.39 0.00 0.00 64.86 63.23 2k27 h ILE 61 Cb 1.23 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 35.94 2k27 h ILE 61 CO -0.22 0.30 0.08 0.25 -0.69 0.00 0.00 178.15 177.87 2k27 h LEU 62 N 0.55 0.15 0.00 1.44 7.12 -1.31 -3.48 115.31 119.78 2k27 h LEU 62 Ca 0.11 -0.04 0.00 0.00 0.13 0.00 0.00 57.88 58.08 2k27 h LEU 62 Cb 0.39 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.48 2k27 h LEU 62 CO 0.02 0.15 0.00 0.61 -0.13 0.00 0.00 178.44 179.08 2k27 n GLY 63 N -1.03 2.91 0.21 3.75 0.00 -0.74 -4.88 105.19 105.40 2k27 n GLY 63 Ca -0.05 -0.45 -0.02 0.00 0.00 0.00 0.00 46.02 45.50 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 0.26 0.00 1.61 3.08 -1.67 -3.43 114.38 114.24 2k27 h ARG 64 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2k27 h ARG 64 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 29.99 2k27 h ARG 64 CO 0.00 0.17 0.00 0.66 -1.07 0.00 0.00 179.97 179.73 2k27 n TYR 65 N -5.09 -1.75 0.13 3.04 4.01 -1.26 -5.08 117.16 111.16 2k27 n TYR 65 Ca 0.06 0.33 0.00 0.00 -0.16 0.00 0.00 57.90 58.13 2k27 n TYR 65 Cb 0.25 0.72 0.00 0.00 -0.31 0.00 0.00 39.34 40.00 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 -3.09 -2.26 0.00 -0.72 4.02 -1.26 -5.11 117.16 108.74 2k27 n TYR 66 Ca 0.00 0.40 0.00 0.00 -0.01 0.00 0.00 57.90 58.29 2k27 n TYR 66 Cb 0.00 0.57 0.00 0.00 -0.02 0.00 0.00 39.34 39.89 2k27 n TYR 66 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 2k27 n GLU 67 N -3.37 0.00 0.10 -0.72 1.02 -1.26 -4.58 120.64 111.83 2k27 n GLU 67 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 57.10 2k27 n GLU 67 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 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 0.00 0.00 0.00 2.62 1.35 -1.98 -3.44 112.91 111.46 2k27 h THR 68 Ca 0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 66.41 65.76 2k27 h THR 68 Cb 0.00 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 66.42 2k27 h THR 68 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 2k27 n GLY 69 N -0.16 3.45 2.56 5.82 0.00 -1.26 -1.22 105.19 114.37 2k27 n GLY 69 Ca -0.03 0.06 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 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 5.03 2.80 -1.73 1.61 2.88 -1.23 -4.68 113.62 118.30 2k27 n SER 70 Ca 0.00 -3.29 -0.11 0.00 -1.33 0.00 0.00 58.87 54.14 2k27 n SER 70 Cb 0.00 -0.55 0.22 0.00 -0.75 0.00 0.00 64.21 63.13 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 -0.09 2.86 -3.19 2.46 5.41 -0.36 -4.23 119.36 122.22 2k27 n ILE 71 Ca 0.26 -2.11 -0.22 0.00 1.00 0.00 0.00 62.75 61.69 2k27 n ILE 71 Cb 0.61 -0.38 -0.06 0.00 -0.71 0.00 0.00 39.64 39.10 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 -0.85 0.87 -2.32 0.38 5.12 -1.26 -5.04 116.66 113.55 2k27 n ARG 72 Ca 0.44 -3.32 -0.35 0.00 -1.93 0.00 0.00 57.85 52.68 2k27 n ARG 72 Cb 1.34 -1.41 -0.03 0.00 -1.16 0.00 0.00 32.46 31.20 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 -1.66 3.20 -1.44 5.56 0.04 -1.26 -4.87 135.00 134.58 2k27 s PRO 73 Ca 0.37 -1.32 -0.09 0.00 0.04 0.00 0.00 61.00 60.00 2k27 s PRO 73 Cb 0.23 -5.34 -0.06 0.00 0.04 0.00 0.00 34.50 29.37 2k27 s PRO 73 CO -0.10 -3.01 2.91 0.41 0.04 0.00 0.00 177.00 177.25 2k27 n GLY 74 N 5.99 4.34 2.34 0.56 0.00 -1.26 -4.77 105.19 112.39 2k27 n GLY 74 Ca 0.44 -1.59 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 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 3.12 4.02 -3.02 1.61 0.24 -1.26 -4.95 118.33 118.09 2k27 n VAL 75 Ca 0.73 -2.94 -0.40 0.00 -2.04 0.00 0.00 64.34 59.69 2k27 n VAL 75 Cb 0.29 -2.05 -0.05 0.00 -1.47 0.00 0.00 33.84 30.56 2k27 n VAL 75 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2k27 s ILE 76 N -0.22 4.71 0.00 1.34 1.01 -1.26 -4.53 121.20 122.25 2k27 s ILE 76 Ca 0.62 1.58 0.00 0.00 0.00 0.00 0.00 60.65 62.85 2k27 s ILE 76 Cb 0.27 -4.09 0.00 0.00 0.01 0.00 0.00 42.46 38.65 2k27 s ILE 76 CO -0.10 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.84 2k27 n GLY 77 N 2.29 2.13 5.17 6.18 0.00 -1.26 -4.86 105.19 114.83 2k27 n GLY 77 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 2.09 3.65 -0.02 0.00 -1.26 -4.74 105.19 104.92 2k27 n GLY 78 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.72 -0.39 -0.48 1.61 1.04 -1.26 -5.13 113.70 108.36 2k27 s SER 79 Ca 0.00 -0.32 0.06 0.00 0.48 0.00 0.00 55.95 56.18 2k27 s SER 79 Cb 0.00 0.65 0.21 0.00 0.10 0.00 0.00 66.02 66.98 2k27 s SER 79 CO 0.00 -1.14 0.72 1.17 0.98 0.00 0.00 173.24 174.97 2k27 n LYS 80 N -0.42 0.60 -1.67 4.02 4.81 -1.26 -5.16 118.16 119.08 2k27 n LYS 80 Ca -0.10 -2.19 -0.32 0.00 -0.87 0.00 0.00 58.31 54.84 2k27 n LYS 80 Cb 0.62 -1.47 0.04 0.00 0.02 0.00 0.00 35.03 34.24 2k27 n LYS 80 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2k27 s PRO 81 N 0.50 2.96 -0.38 1.64 0.04 -1.26 -5.05 135.00 133.46 2k27 s PRO 81 Ca 0.32 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.42 2k27 s PRO 81 Cb 0.10 -1.99 0.13 0.00 0.04 0.00 0.00 34.50 32.78 2k27 s PRO 81 CO -0.15 -1.09 0.19 0.15 0.04 0.00 0.00 177.00 176.15 2k27 s LYS 82 N -4.74 0.89 0.19 4.56 -0.14 -1.26 -5.12 119.74 114.11 2k27 s LYS 82 Ca 0.60 -1.51 -0.30 0.00 -1.36 0.00 0.00 55.97 53.40 2k27 s LYS 82 Cb -0.15 -1.91 -0.08 0.00 -1.68 0.00 0.00 37.83 34.01 2k27 s LYS 82 CO 0.50 -1.12 1.14 0.08 -0.76 0.00 0.00 175.35 175.18 2k27 s VAL 83 N 0.96 3.73 0.34 3.17 1.01 -1.26 -5.05 120.40 123.29 2k27 s VAL 83 Ca 0.15 1.49 -0.03 0.00 0.00 0.00 0.00 61.98 63.59 2k27 s VAL 83 Cb -0.22 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 32.17 2k27 s VAL 83 CO -0.08 0.26 0.58 0.00 0.00 0.00 0.00 175.10 175.86 2k27 s ALA 84 N -0.23 3.62 -0.33 5.51 0.00 -1.26 -5.10 121.76 123.97 2k27 s ALA 84 Ca 0.50 -0.67 0.01 0.00 0.00 0.00 0.00 51.96 51.80 2k27 s ALA 84 Cb -0.31 -2.28 0.10 0.00 0.00 0.00 0.00 23.12 20.64 2k27 s ALA 84 CO 0.36 0.07 0.09 -0.08 0.00 0.00 0.00 175.76 176.20 2k27 s THR 85 N -2.26 1.34 0.18 0.00 -1.32 -1.26 -5.02 115.64 107.31 2k27 s THR 85 Ca 0.43 -1.75 0.12 0.00 -1.21 0.00 0.00 61.69 59.28 2k27 s THR 85 Cb -0.10 -2.00 -0.01 0.00 -1.51 0.00 0.00 72.50 68.87 2k27 s THR 85 CO 0.34 -0.66 1.57 1.55 -2.21 0.00 0.00 174.62 175.20 2k27 h PRO 86 N 7.88 0.00 -0.04 7.08 0.13 -2.05 -3.24 132.00 141.76 2k27 h PRO 86 Ca -0.10 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 65.04 2k27 h PRO 86 Cb 1.01 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.14 2k27 h PRO 86 CO 0.49 0.62 0.11 -0.22 -0.23 0.00 0.00 178.00 178.77 2k27 h LYS 87 N 0.00 0.00 -0.98 0.86 3.64 -2.00 -2.07 116.57 116.02 2k27 h LYS 87 Ca -0.01 0.00 0.31 0.00 -1.27 0.00 0.00 60.65 59.68 2k27 h LYS 87 Cb 1.20 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.84 2k27 h LYS 87 CO 0.08 0.00 0.17 0.28 -2.27 0.00 0.00 179.45 177.71 2k27 h VAL 88 N 0.00 0.04 -0.39 2.00 2.07 -2.01 0.24 116.25 118.20 2k27 h VAL 88 Ca 0.02 -0.01 -0.11 0.00 0.82 0.00 0.00 66.70 67.43 2k27 h VAL 88 Cb 0.24 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 2k27 h VAL 88 CO -0.00 0.00 -0.17 0.58 0.02 0.00 0.00 177.57 178.00 2k27 h VAL 89 N 0.02 1.28 -0.04 2.57 2.07 -1.66 -3.23 116.25 117.26 2k27 h VAL 89 Ca 0.66 -1.30 -0.08 0.00 0.82 0.00 0.00 66.70 66.80 2k27 h VAL 89 Cb 1.47 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.53 2k27 h VAL 89 CO -0.87 0.43 -0.35 -0.33 0.02 0.00 0.00 177.57 176.47 2k27 h GLU 90 N 0.60 0.08 -0.06 1.57 5.08 -0.76 -3.32 114.58 117.78 2k27 h GLU 90 Ca 0.09 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.45 2k27 h GLU 90 Cb 0.72 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 2k27 h GLU 90 CO 0.05 0.43 -0.44 0.87 -1.00 0.00 0.00 179.01 178.92 2k27 h LYS 91 N 0.07 -0.54 -0.92 2.33 1.57 -1.04 0.39 116.57 118.42 2k27 h LYS 91 Ca 0.01 0.04 0.10 0.00 -1.87 0.00 0.00 60.65 58.93 2k27 h LYS 91 Cb 0.66 0.12 -0.12 0.00 0.08 0.00 0.00 32.23 32.97 2k27 h LYS 91 CO 0.05 -0.36 -0.48 -0.89 -0.57 0.00 0.00 179.45 177.20 2k27 n ILE 92 N -5.45 -0.58 -0.04 1.86 -0.00 -1.25 -1.62 119.36 112.29 2k27 n ILE 92 Ca -0.05 2.21 -0.10 0.00 -0.00 0.00 0.00 62.75 64.81 2k27 n ILE 92 Cb 0.37 -2.80 -0.03 0.00 -0.00 0.00 0.00 39.64 37.18 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 -0.39 0.52 7.39 0.00 -1.15 -1.92 103.07 107.52 2k27 h GLY 93 Ca 0.21 0.41 0.06 0.00 0.00 0.00 0.00 47.33 48.01 2k27 h GLY 93 CO -0.89 -0.21 0.06 -0.55 0.00 0.00 0.00 176.54 174.95 2k27 h ASP 94 N -0.35 -0.03 -0.32 0.19 3.32 -0.23 -0.47 116.42 118.53 2k27 h ASP 94 Ca 0.12 0.07 0.04 0.00 0.02 0.00 0.00 57.03 57.27 2k27 h ASP 94 Cb 0.55 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 2k27 h ASP 94 CO -0.42 0.02 0.22 1.88 -1.72 0.00 0.00 179.24 179.22 2k27 h TYR 95 N 0.17 0.28 -0.02 4.55 0.05 -0.89 0.55 116.97 121.66 2k27 h TYR 95 Ca 0.18 0.01 -0.21 0.00 0.05 0.00 0.00 58.73 58.75 2k27 h TYR 95 Cb 0.22 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.86 2k27 h TYR 95 CO -0.21 0.16 -0.88 0.87 -1.05 0.00 0.00 178.16 177.06 2k27 h LYS 96 N 0.29 0.41 -0.63 4.88 1.79 -0.43 0.00 116.57 122.89 2k27 h LYS 96 Ca 0.14 -0.41 0.00 0.00 -2.18 0.00 0.00 60.65 58.19 2k27 h LYS 96 Cb 0.18 0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.91 2k27 h LYS 96 CO -0.03 1.07 0.39 0.00 -1.08 0.00 0.00 179.45 179.81 2k27 h ARG 97 N 0.25 0.84 0.26 3.15 3.08 -0.17 -2.32 114.38 119.47 2k27 h ARG 97 Ca -0.06 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 59.91 2k27 h ARG 97 Cb 1.50 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 31.37 2k27 h ARG 97 CO 0.15 0.58 -0.12 1.96 -1.07 0.00 0.00 179.97 181.47 2k27 h GLN 98 N 0.85 -0.33 -3.10 0.04 4.20 -0.89 -3.41 115.11 112.47 2k27 h GLN 98 Ca 0.23 0.02 -0.62 0.00 0.06 0.00 0.00 58.65 58.34 2k27 h GLN 98 Cb -0.05 0.08 -0.41 0.00 0.30 0.00 0.00 27.48 27.39 2k27 h GLN 98 CO -0.05 -0.22 -0.63 0.54 -0.67 0.00 0.00 178.83 177.80 2k27 s ASN 99 N -2.94 4.32 0.11 1.46 4.22 -0.02 -4.98 114.94 117.12 2k27 s ASN 99 Ca -0.05 -3.45 -0.15 0.00 -2.14 0.00 0.00 52.86 47.06 2k27 s ASN 99 Cb 0.01 -1.49 -0.05 0.00 1.28 0.00 0.00 41.25 40.99 2k27 s ASN 99 CO 0.15 -0.15 1.50 1.55 -2.04 0.00 0.00 177.10 178.11 2k27 h PRO 100 N 5.84 0.69 -0.52 3.55 0.13 -1.61 -3.25 132.00 136.83 2k27 h PRO 100 Ca 0.08 -0.28 0.12 0.00 -0.87 0.00 0.00 66.00 65.05 2k27 h PRO 100 Cb 0.82 -0.03 -0.03 0.00 0.13 0.00 0.00 31.00 31.89 2k27 h PRO 100 CO 0.66 0.87 0.36 0.00 -0.23 0.00 0.00 178.00 179.67 2k27 h THR 101 N 0.47 0.81 -3.49 1.56 1.03 -1.93 -3.44 112.91 107.92 2k27 h THR 101 Ca 0.08 -0.05 -0.41 0.00 -0.01 0.00 0.00 66.41 66.02 2k27 h THR 101 Cb 0.64 0.64 0.20 0.00 -1.07 0.00 0.00 68.15 68.56 2k27 h THR 101 CO 0.04 0.03 0.17 -0.04 -0.01 0.00 0.00 175.52 175.71 2k27 s MET 102 N -5.16 -1.31 0.10 0.00 -1.94 -1.23 -5.10 119.30 104.67 2k27 s MET 102 Ca -0.06 -0.26 0.00 0.00 -1.71 0.00 0.00 55.69 53.66 2k27 s MET 102 Cb 0.20 -1.60 -0.04 0.00 2.01 0.00 0.00 34.83 35.39 2k27 s MET 102 CO 0.73 -3.73 -0.02 -0.06 -0.01 0.00 0.00 175.02 171.94 2k27 s PHE 103 N -3.17 0.81 0.35 -0.03 0.08 -1.26 -5.04 117.98 109.72 2k27 s PHE 103 Ca 0.73 -1.05 0.17 0.00 0.12 0.00 0.00 56.93 56.89 2k27 s PHE 103 Cb -0.06 -0.50 1.19 0.00 -0.57 0.00 0.00 43.02 43.08 2k27 s PHE 103 CO 0.55 -0.32 1.61 0.00 -0.10 0.00 0.00 175.22 176.97 2k27 h ALA 104 N 2.96 1.98 -0.29 5.36 0.00 -1.95 -0.58 119.26 126.74 2k27 h ALA 104 Ca -0.35 0.25 0.05 0.00 0.00 0.00 0.00 54.91 54.86 2k27 h ALA 104 Cb 1.17 0.29 -0.08 0.00 0.00 0.00 0.00 17.79 19.17 2k27 h ALA 104 CO 0.64 -0.78 -0.47 -1.49 0.00 0.00 0.00 179.25 177.14 2k27 h TRP 105 N 0.12 -1.39 -0.24 0.00 4.06 -1.97 -0.74 115.95 115.78 2k27 h TRP 105 Ca 0.78 0.06 -0.10 0.00 2.06 0.00 0.00 58.89 61.69 2k27 h TRP 105 Cb 1.93 0.65 -0.01 0.00 -1.00 0.00 0.00 29.16 30.73 2k27 h TRP 105 CO -0.06 -0.48 -0.30 1.49 -3.56 0.00 0.00 178.44 175.53 2k27 h GLU 106 N -0.43 0.48 -0.90 0.49 4.22 -1.53 -2.86 114.58 114.05 2k27 h GLU 106 Ca 0.09 -0.20 0.02 0.00 0.08 0.00 0.00 59.36 59.35 2k27 h GLU 106 Cb 0.62 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 2k27 h GLU 106 CO -0.51 0.73 0.59 0.82 -2.18 0.00 0.00 179.01 178.46 2k27 h ILE 107 N 0.42 1.21 0.38 2.32 1.08 -1.13 0.18 117.51 121.97 2k27 h ILE 107 Ca 0.05 -0.41 -0.02 0.00 -0.39 0.00 0.00 64.86 64.10 2k27 h ILE 107 Cb 0.73 -0.09 0.00 0.00 -3.07 0.00 0.00 36.82 34.40 2k27 h ILE 107 CO 0.06 0.22 -0.18 -0.09 -0.69 0.00 0.00 178.15 177.46 2k27 h ARG 108 N 1.19 -0.49 -0.09 2.37 2.43 -0.99 -3.04 114.38 115.76 2k27 h ARG 108 Ca 0.34 0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.57 2k27 h ARG 108 Cb -0.10 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 2k27 h ARG 108 CO -0.08 -0.32 0.06 -0.44 -1.51 0.00 0.00 179.97 177.69 2k27 h ASP 109 N -0.53 0.00 -0.58 -3.80 3.32 -1.11 -2.53 116.42 111.18 2k27 h ASP 109 Ca -0.05 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.95 2k27 h ASP 109 Cb 0.40 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 2k27 h ASP 109 CO 0.09 0.00 0.18 -0.09 -1.72 0.00 0.00 179.24 177.70 2k27 h ARG 110 N 0.00 0.95 -0.51 3.56 2.43 -0.56 -0.04 114.38 120.21 2k27 h ARG 110 Ca 0.04 -0.19 -0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2k27 h ARG 110 Cb 0.17 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2k27 h ARG 110 CO -0.00 0.82 0.31 -0.07 -1.51 0.00 0.00 179.97 179.52 2k27 h LEU 111 N 0.91 0.62 -0.11 3.80 3.38 -1.48 -0.05 115.31 122.37 2k27 h LEU 111 Ca 0.20 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 2k27 h LEU 111 Cb 0.28 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 2k27 h LEU 111 CO -0.01 0.50 0.02 -0.07 0.09 0.00 0.00 178.44 178.97 2k27 h LEU 112 N 0.68 0.18 -0.60 1.67 3.38 -1.45 -1.07 115.31 118.10 2k27 h LEU 112 Ca 0.18 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2k27 h LEU 112 Cb -0.00 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.67 2k27 h LEU 112 CO -0.03 0.38 0.38 0.00 0.09 0.00 0.00 178.44 179.26 2k27 h ALA 113 N 0.80 0.76 0.00 1.53 0.00 -0.95 -1.34 119.26 120.07 2k27 h ALA 113 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2k27 h ALA 113 Cb 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2k27 h ALA 113 CO 0.00 0.22 0.00 1.49 0.00 0.00 0.00 179.25 180.96 2k27 h GLU 114 N 0.81 0.00 -1.46 0.00 4.81 -0.94 -3.47 114.58 114.34 2k27 h GLU 114 Ca 0.22 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.40 2k27 h GLU 114 Cb -0.05 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.34 2k27 h GLU 114 CO -0.04 0.00 -0.09 0.41 -0.73 0.00 0.00 179.01 178.56 2k27 n GLY 115 N -0.29 0.70 0.10 1.92 0.00 -0.51 -4.99 105.19 102.12 2k27 n GLY 115 Ca 0.01 -0.59 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.30 1.35 -2.99 1.61 2.07 -1.43 -3.50 116.25 113.05 2k27 h VAL 116 Ca -0.07 -2.36 0.02 0.00 0.82 0.00 0.00 66.70 65.11 2k27 h VAL 116 Cb 1.05 2.92 -0.02 0.00 -1.52 0.00 0.00 31.29 33.72 2k27 h VAL 116 CO 0.07 0.58 0.26 0.00 0.02 0.00 0.00 177.57 178.51 2k27 s ASP 118 N -3.01 5.45 0.57 0.00 1.01 -1.26 -4.46 116.67 114.97 2k27 s ASP 118 Ca 0.14 0.63 0.26 0.00 0.71 0.00 0.00 52.55 54.29 2k27 s ASP 118 Cb -0.05 -1.57 1.62 0.00 1.01 0.00 0.00 42.92 43.92 2k27 s ASP 118 CO 0.10 -1.15 2.16 -1.13 0.21 0.00 0.00 175.17 175.36 2k27 h ASN 119 N -0.22 0.00 0.03 0.27 -0.73 -1.99 -0.84 115.58 112.10 2k27 h ASN 119 Ca -0.45 0.00 -0.32 0.00 1.87 0.00 0.00 56.30 57.40 2k27 h ASN 119 Cb 1.27 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 39.82 2k27 h ASN 119 CO 0.60 0.00 -1.74 0.47 -0.37 0.00 0.00 177.43 176.39 2k27 n ASP 120 N -4.01 1.95 0.19 1.15 8.00 -1.26 -4.49 116.55 118.08 2k27 n ASP 120 Ca -0.00 0.32 0.06 0.00 0.71 0.00 0.00 54.79 55.88 2k27 n ASP 120 Cb 0.22 -0.88 0.33 0.00 -0.02 0.00 0.00 41.12 40.76 2k27 n ASP 120 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2k27 h THR 121 N -0.67 0.79 -3.13 -3.53 1.35 -1.88 -3.45 112.91 102.39 2k27 h THR 121 Ca -0.44 -1.50 -0.58 0.00 -0.55 0.00 0.00 66.41 63.34 2k27 h THR 121 Cb 1.58 1.95 0.12 0.00 -1.73 0.00 0.00 68.15 70.07 2k27 h THR 121 CO -0.17 0.34 0.31 0.55 -0.25 0.00 0.00 175.52 176.31 2k27 n VAL 122 N -3.45 2.28 -1.83 6.82 3.14 -0.34 -4.88 118.33 120.06 2k27 n VAL 122 Ca 0.00 -0.50 -0.39 0.00 -2.96 0.00 0.00 64.34 60.49 2k27 n VAL 122 Cb 0.52 -1.32 0.03 0.00 -1.06 0.00 0.00 33.84 32.00 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 -1.94 3.39 0.78 1.45 0.04 -1.26 -4.97 135.00 132.49 2k27 s PRO 123 Ca 0.60 2.26 -0.10 0.00 0.04 0.00 0.00 61.00 63.80 2k27 s PRO 123 Cb -0.57 -2.42 0.06 0.00 0.04 0.00 0.00 34.50 31.61 2k27 s PRO 123 CO 0.59 -1.00 1.09 -1.54 0.04 0.00 0.00 177.00 176.18 2k27 s SER 124 N -0.82 4.46 0.19 6.66 1.04 -1.26 -4.82 113.70 119.15 2k27 s SER 124 Ca 0.67 1.83 -0.12 0.00 0.48 0.00 0.00 55.95 58.80 2k27 s SER 124 Cb -0.41 -2.52 0.21 0.00 0.10 0.00 0.00 66.02 63.40 2k27 s SER 124 CO 0.50 -2.06 1.72 0.58 0.98 0.00 0.00 173.24 174.95 2k27 h VAL 125 N -1.15 0.73 -0.53 5.02 2.07 -1.93 -1.60 116.25 118.85 2k27 h VAL 125 Ca -0.44 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 67.07 2k27 h VAL 125 Cb 1.23 0.44 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 2k27 h VAL 125 CO 0.51 0.05 0.20 0.28 0.02 0.00 0.00 177.57 178.63 2k27 h SER 126 N 0.26 0.21 0.50 0.57 0.02 -1.95 -0.55 113.55 112.62 2k27 h SER 126 Ca 0.26 0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.25 2k27 h SER 126 Cb 0.34 0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.93 2k27 h SER 126 CO -0.33 0.15 -0.24 0.77 -1.14 0.00 0.00 176.83 176.04 2k27 h SER 127 N 0.39 -0.57 -0.80 3.07 4.64 -1.80 -1.74 113.55 116.73 2k27 h SER 127 Ca 0.26 0.02 0.09 0.00 -0.47 0.00 0.00 61.79 61.69 2k27 h SER 127 Cb 0.28 0.15 -0.05 0.00 -0.31 0.00 0.00 62.40 62.46 2k27 h SER 127 CO -0.25 -0.17 0.52 0.16 -0.87 0.00 0.00 176.83 176.22 2k27 h ILE 128 N -1.16 0.98 0.24 0.95 3.07 -1.31 0.90 117.51 121.17 2k27 h ILE 128 Ca -0.07 -0.27 0.01 0.00 1.55 0.00 0.00 64.86 66.08 2k27 h ILE 128 Cb 0.52 0.13 -0.03 0.00 -0.27 0.00 0.00 36.82 37.17 2k27 h ILE 128 CO 0.11 0.14 -0.36 -1.13 -1.05 0.00 0.00 178.15 175.86 2k27 h ASN 129 N 0.78 -1.03 -0.19 2.16 -1.24 -1.15 -1.85 115.58 113.06 2k27 h ASN 129 Ca 0.36 0.10 -0.04 0.00 0.71 0.00 0.00 56.30 57.44 2k27 h ASN 129 Cb 0.38 0.37 -0.02 0.00 0.73 0.00 0.00 38.32 39.78 2k27 h ASN 129 CO -0.14 -0.48 0.01 0.08 -1.29 0.00 0.00 177.43 175.62 2k27 h ARG 130 N -0.67 0.43 0.39 6.67 -0.00 0.05 -0.04 114.38 121.21 2k27 h ARG 130 Ca 0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 59.98 59.90 2k27 h ARG 130 Cb 0.65 -0.07 -0.03 0.00 -0.00 0.00 0.00 29.97 30.52 2k27 h ARG 130 CO -0.14 0.45 -0.51 0.82 -0.00 0.00 0.00 179.97 180.59 2k27 h ILE 131 N 0.42 0.00 -0.42 0.08 5.03 -0.98 -0.82 117.51 120.82 2k27 h ILE 131 Ca 0.10 0.00 0.09 0.00 -0.12 0.00 0.00 64.86 64.92 2k27 h ILE 131 Cb 0.26 0.00 -0.09 0.00 -3.03 0.00 0.00 36.82 33.96 2k27 h ILE 131 CO 0.01 0.00 -0.18 0.40 -0.68 0.00 0.00 178.15 177.69 2k27 h ILE 132 N -0.93 0.44 0.09 -0.67 2.04 -0.44 -1.65 117.51 116.38 2k27 h ILE 132 Ca -0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.83 2k27 h ILE 132 Cb 0.84 0.44 -0.03 0.00 -0.74 0.00 0.00 36.82 37.33 2k27 h ILE 132 CO -0.13 0.00 -0.22 0.03 0.00 0.00 0.00 178.15 177.83 2k27 h ARG 133 N -0.10 -0.38 0.00 2.37 3.08 -0.96 -1.59 114.38 116.80 2k27 h ARG 133 Ca 0.20 0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.27 2k27 h ARG 133 Cb 0.41 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 2k27 h ARG 133 CO -0.48 -0.26 -0.03 1.79 -1.07 0.00 0.00 179.97 179.92 2k27 h THR 134 N -0.40 0.80 0.06 2.04 1.35 -0.62 -0.79 112.91 115.35 2k27 h THR 134 Ca 0.03 -0.11 -0.00 0.00 -0.55 0.00 0.00 66.41 65.78 2k27 h THR 134 Cb 0.43 1.06 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 2k27 h THR 134 CO -0.14 0.03 -0.03 0.11 -0.25 0.00 0.00 175.52 175.24 2k27 h LYS 135 N 0.00 -0.08 -1.50 4.72 6.56 -0.87 -3.45 116.57 121.96 2k27 h LYS 135 Ca -0.00 0.01 0.06 0.00 -1.06 0.00 0.00 60.65 59.66 2k27 h LYS 135 Cb 0.06 0.02 -0.21 0.00 -0.57 0.00 0.00 32.23 31.52 2k27 h LYS 135 CO 0.00 0.28 -0.24 0.54 -2.06 0.00 0.00 179.45 177.98 2k27 s VAL 136 N -4.70 -0.96 0.04 0.50 0.11 -0.38 -5.12 120.40 109.88 2k27 s VAL 136 Ca -0.15 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.90 2k27 s VAL 136 Cb 0.03 -0.97 -0.03 0.00 -1.53 0.00 0.00 36.38 33.88 2k27 s VAL 136 CO 0.64 -0.00 -0.04 0.00 -3.33 0.00 0.00 175.10 172.37 2k27 s GLN 137 N 2.84 0.45 -0.43 1.54 -2.07 -0.73 -4.26 119.66 117.00 2k27 s GLN 137 Ca 0.09 -0.85 0.08 0.00 -1.82 0.00 0.00 55.36 52.86 2k27 s GLN 137 Cb -0.14 0.08 0.25 0.00 -1.09 0.00 0.00 33.01 32.11 2k27 s GLN 137 CO -0.20 -0.06 0.55 1.04 -1.32 0.00 0.00 175.29 175.31 2k27 n GLN 138 N 1.03 0.99 -1.72 9.60 6.02 -1.26 -5.08 117.38 126.97 2k27 n GLN 138 Ca -0.20 -3.46 -0.30 0.00 -0.01 0.00 0.00 57.00 53.03 2k27 n GLN 138 Cb 0.57 -1.40 0.09 0.00 1.02 0.00 0.00 30.24 30.52 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 -1.35 2.08 -1.55 -1.09 0.04 -1.26 -4.18 135.00 127.69 2k27 s PRO 139 Ca 0.36 0.40 -0.02 0.00 0.04 0.00 0.00 61.00 61.78 2k27 s PRO 139 Cb 0.16 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.77 2k27 s PRO 139 CO -0.10 -1.57 0.29 1.19 0.04 0.00 0.00 177.00 176.85 2k27 n PHE 140 N -3.36 -1.39 -2.58 0.56 3.72 -1.26 -4.98 117.46 108.16 2k27 n PHE 140 Ca 0.07 0.25 -0.41 0.00 -0.05 0.00 0.00 57.45 57.32 2k27 n PHE 140 Cb 0.58 -4.03 -0.05 0.00 -0.94 0.00 0.00 39.48 35.05 2k27 n PHE 140 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2k27 s ASN 141 N -2.44 7.38 -0.29 4.37 4.22 -1.26 -5.04 114.94 121.89 2k27 s ASN 141 Ca 0.15 2.07 -0.15 0.00 -2.14 0.00 0.00 52.86 52.79 2k27 s ASN 141 Cb -0.06 -2.61 0.11 0.00 1.28 0.00 0.00 41.25 39.97 2k27 s ASN 141 CO 0.18 -0.09 0.78 -0.22 -2.04 0.00 0.00 177.10 175.71 2k27 s LEU 142 N -0.80 -0.84 0.41 3.54 2.96 -1.26 -5.16 118.68 117.53 2k27 s LEU 142 Ca 0.46 1.28 -0.24 0.00 -0.22 0.00 0.00 54.13 55.41 2k27 s LEU 142 Cb -0.29 2.14 -0.09 0.00 0.50 0.00 0.00 46.19 48.46 2k27 s LEU 142 CO 0.35 -0.20 1.07 -2.16 -1.32 0.00 0.00 176.35 174.10 2k27 s PRO 143 N 1.86 4.10 -1.44 0.98 0.04 -1.26 -4.94 135.00 134.34 2k27 s PRO 143 Ca -0.08 1.56 -0.13 0.00 0.04 0.00 0.00 61.00 62.39 2k27 s PRO 143 Cb -0.06 -2.52 0.06 0.00 0.04 0.00 0.00 34.50 32.02 2k27 s PRO 143 CO -0.18 -0.21 2.22 -1.33 0.04 0.00 0.00 177.00 177.53 2k27 n MET 144 N -0.15 3.08 -2.00 4.56 2.81 -1.26 -4.87 117.12 119.29 2k27 n MET 144 Ca 0.05 -2.76 -0.39 0.00 -1.81 0.00 0.00 57.70 52.79 2k27 n MET 144 Cb 0.49 -3.18 -0.02 0.00 -0.71 0.00 0.00 33.22 29.80 2k27 n MET 144 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2k27 n ASP 145 N 5.44 3.83 -3.00 7.83 2.03 -1.26 -4.68 116.55 126.74 2k27 n ASP 145 Ca 0.52 -2.81 -0.14 0.00 0.52 0.00 0.00 54.79 52.88 2k27 n ASP 145 Cb 0.37 -1.61 -0.03 0.00 -0.72 0.00 0.00 41.12 39.13 2k27 n ASP 145 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 2k27 n SER 146 N 9.02 -2.00 -3.10 1.67 3.41 -1.26 -5.03 113.62 116.32 2k27 n SER 146 Ca 0.49 -2.80 -0.17 0.00 -0.26 0.00 0.00 58.87 56.13 2k27 n SER 146 Cb 0.43 0.77 -0.05 0.00 -0.26 0.00 0.00 64.21 65.11 2k27 n SER 146 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k27 n GLY 147 N 2.47 1.09 2.73 5.00 0.00 -1.26 -5.05 105.19 110.17 2k27 n GLY 147 Ca 0.20 -0.60 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 2k27 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k27 n ALA 148 N 2.65 3.72 -1.38 4.61 0.00 -1.26 -5.10 120.51 123.75 2k27 n ALA 148 Ca 0.23 -4.64 -0.29 0.00 0.00 0.00 0.00 53.44 48.75 2k27 n ALA 148 Cb 0.52 -1.04 0.16 0.00 0.00 0.00 0.00 19.45 19.09 2k27 n ALA 148 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2k27 s PRO 149 N -1.88 0.76 0.04 0.00 0.04 -1.26 -5.09 135.00 127.61 2k27 s PRO 149 Ca 0.31 0.36 -0.28 0.00 0.04 0.00 0.00 61.00 61.42 2k27 s PRO 149 Cb 0.03 -1.79 0.10 0.00 0.04 0.00 0.00 34.50 32.88 2k27 s PRO 149 CO -0.10 -2.47 1.08 0.20 0.04 0.00 0.00 177.00 175.75 2k27 s GLY 150 N -3.80 -0.33 0.00 0.56 0.00 -1.26 -5.19 107.32 97.30 2k27 s GLY 150 Ca 0.65 0.60 0.00 0.00 0.00 0.00 0.00 44.72 45.96 2k27 s GLY 150 CO 0.55 0.15 0.00 0.61 0.00 0.00 0.00 173.10 174.41 2k27 n GLY 151 N -0.40 -1.48 3.62 0.20 0.00 -1.26 -5.20 105.19 100.67 2k27 n GLY 151 Ca -0.07 -1.04 -0.00 0.00 0.00 0.00 0.00 46.02 44.91 2k27 n GLY 151 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k27 s GLY 152 N 0.00 -0.38 0.21 -0.02 0.00 -1.26 -5.20 107.32 100.67 2k27 s GLY 152 Ca 0.00 0.84 -0.23 0.00 0.00 0.00 0.00 44.72 45.33 2k27 s GLY 152 CO 0.00 0.20 0.80 -1.35 0.00 0.00 0.00 173.10 172.75 2k27 s SER 153 N -2.81 -0.27 0.19 1.64 1.04 -1.26 -5.19 113.70 107.03 2k27 s SER 153 Ca 0.13 -0.44 -0.21 0.00 0.48 0.00 0.00 55.95 55.92 2k27 s SER 153 Cb 0.03 0.61 0.05 0.00 0.10 0.00 0.00 66.02 66.81 2k27 s SER 153 CO -0.04 -1.11 0.59 -1.38 0.98 0.00 0.00 173.24 172.28 2k27 s HIS 154 N -3.64 -0.33 0.23 5.02 -3.43 -1.26 -5.19 115.29 106.69 2k27 s HIS 154 Ca 0.10 0.02 -0.22 0.00 -0.80 0.00 0.00 55.06 54.17 2k27 s HIS 154 Cb -0.04 0.52 0.06 0.00 -1.43 0.00 0.00 32.58 31.70 2k27 s HIS 154 CO 0.02 -0.94 0.92 -3.38 -2.00 0.00 0.00 174.74 169.37 2k27 s HIS 155 N -3.82 -0.02 -0.17 0.38 -3.43 -1.26 -5.16 115.29 101.81 2k27 s HIS 155 Ca 0.05 -0.41 -0.05 0.00 -0.80 0.00 0.00 55.06 53.85 2k27 s HIS 155 Cb -0.02 0.71 0.08 0.00 -1.43 0.00 0.00 32.58 31.93 2k27 s HIS 155 CO -0.06 -1.07 0.29 -1.58 -2.00 0.00 0.00 174.74 170.32 2k27 s HIS 156 N -2.80 -0.50 0.84 0.38 2.46 -1.26 -5.16 115.29 109.24 2k27 s HIS 156 Ca 0.16 0.87 -0.11 0.00 0.47 0.00 0.00 55.06 56.45 2k27 s HIS 156 Cb -0.03 -0.05 0.10 0.00 -0.13 0.00 0.00 32.58 32.47 2k27 s HIS 156 CO 0.06 -0.48 1.09 -1.01 -2.47 0.00 0.00 174.74 171.93 2k27 s HIS 157 N 2.45 2.43 0.17 3.88 3.76 -1.26 -4.97 115.29 121.75 2k27 s HIS 157 Ca 0.04 1.40 -0.11 0.00 -0.15 0.00 0.00 55.06 56.23 2k27 s HIS 157 Cb -0.13 -3.11 0.05 0.00 1.11 0.00 0.00 32.58 30.50 2k27 s HIS 157 CO -0.11 -2.12 1.66 1.12 -0.85 0.00 0.00 174.74 174.44 2k27 h HIS 158 N -1.36 0.98 -0.00 1.40 2.07 -2.10 -3.58 115.15 112.56 2k27 h HIS 158 Ca -0.47 -0.13 0.00 0.00 -2.85 0.00 0.00 60.37 56.93 2k27 h HIS 158 Cb 1.26 -0.27 0.00 0.00 2.57 0.00 0.00 27.41 30.97 2k27 h HIS 158 CO 0.50 0.85 0.00 -2.39 -3.07 0.00 0.00 177.93 173.82