#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hw0 n SER 3 N 0.00 -0.19 -2.16 3.54 2.88 -1.26 -5.19 113.62 111.24 2hw0 n SER 3 Ca 0.00 -1.26 -0.10 0.00 -1.33 0.00 0.00 58.87 56.19 2hw0 n SER 3 Cb 0.00 0.35 -0.03 0.00 -0.75 0.00 0.00 64.21 63.77 2hw0 n SER 3 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2hw0 n LYS 4 N -0.08 0.35 -4.63 -1.46 4.01 -1.26 -5.19 118.16 109.91 2hw0 n LYS 4 Ca 0.00 -1.52 -0.29 0.00 -0.51 0.00 0.00 58.31 55.99 2hw0 n LYS 4 Cb 0.08 1.12 -0.08 0.00 -0.51 0.00 0.00 35.03 35.64 2hw0 n LYS 4 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2hw0 s LYS 5 N -2.64 2.03 0.00 1.97 1.02 -1.26 -5.17 119.74 115.70 2hw0 s LYS 5 Ca 0.16 -2.25 -0.28 0.00 0.02 0.00 0.00 55.97 53.61 2hw0 s LYS 5 Cb 0.01 -1.13 0.10 0.00 -0.52 0.00 0.00 37.83 36.28 2hw0 s LYS 5 CO 0.11 -0.37 0.83 0.54 -0.92 0.00 0.00 175.35 175.54 2hw0 s ASN 6 N -3.73 -0.43 0.00 2.83 4.22 -1.26 -5.18 114.94 111.39 2hw0 s ASN 6 Ca 0.18 0.12 0.00 0.00 -2.14 0.00 0.00 52.86 51.01 2hw0 s ASN 6 Cb 0.03 0.43 0.00 0.00 1.28 0.00 0.00 41.25 42.99 2hw0 s ASN 6 CO 0.10 -0.65 0.00 0.61 -2.04 0.00 0.00 177.10 175.12 2hw0 n GLY 7 N -0.04 3.27 1.73 0.45 0.00 -1.26 -5.16 105.19 104.19 2hw0 n GLY 7 Ca -0.11 -1.30 -0.09 0.00 0.00 0.00 0.00 46.02 44.51 2hw0 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hw0 n ARG 8 N -1.51 0.66 0.00 1.61 5.12 -1.26 -5.05 116.66 116.24 2hw0 n ARG 8 Ca 0.00 -1.34 0.00 0.00 -1.93 0.00 0.00 57.85 54.58 2hw0 n ARG 8 Cb 0.00 -0.16 0.00 0.00 -1.16 0.00 0.00 32.46 31.14 2hw0 n ARG 8 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2hw0 n SER 9 N -2.78 0.00 0.00 0.55 2.88 -1.26 -5.18 113.62 107.83 2hw0 n SER 9 Ca 0.07 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.61 2hw0 n SER 9 Cb 0.27 0.30 0.00 0.00 -0.75 0.00 0.00 64.21 64.03 2hw0 n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hw0 n GLY 10 N -1.39 -0.79 3.77 0.46 0.00 -1.26 -5.13 105.19 100.85 2hw0 n GLY 10 Ca 0.00 -1.26 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 2hw0 n GLY 10 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hw0 s PRO 11 N -2.00 4.37 0.16 1.61 0.04 -1.26 -5.05 135.00 132.88 2hw0 s PRO 11 Ca 0.00 2.02 0.06 0.00 0.04 0.00 0.00 61.00 63.13 2hw0 s PRO 11 Cb 0.00 -3.02 -0.04 0.00 0.04 0.00 0.00 34.50 31.48 2hw0 s PRO 11 CO 0.00 -0.10 0.03 -0.65 0.04 0.00 0.00 177.00 176.32 2hw0 s GLN 12 N -1.80 2.53 0.43 4.56 -1.52 -1.26 -4.99 119.66 117.61 2hw0 s GLN 12 Ca 0.49 -1.01 -0.24 0.00 -1.95 0.00 0.00 55.36 52.65 2hw0 s GLN 12 Cb -0.36 -2.45 -0.08 0.00 -0.22 0.00 0.00 33.01 29.91 2hw0 s GLN 12 CO 0.47 0.47 1.18 -1.25 -0.25 0.00 0.00 175.29 175.91 2hw0 s PRO 13 N -2.88 3.89 0.36 2.91 0.04 -1.26 -4.87 135.00 133.20 2hw0 s PRO 13 Ca 0.28 1.83 0.05 0.00 0.04 0.00 0.00 61.00 63.20 2hw0 s PRO 13 Cb -0.10 -2.54 -0.03 0.00 0.04 0.00 0.00 34.50 31.87 2hw0 s PRO 13 CO 0.20 -0.45 0.21 -1.01 0.04 0.00 0.00 177.00 175.98 2hw0 s HIS 14 N -1.47 1.73 -0.91 0.56 3.76 -0.50 -4.67 115.29 113.80 2hw0 s HIS 14 Ca 0.60 -1.49 0.17 0.00 -0.15 0.00 0.00 55.06 54.20 2hw0 s HIS 14 Cb -0.30 -0.89 0.68 0.00 1.11 0.00 0.00 32.58 33.17 2hw0 s HIS 14 CO 0.37 -0.62 1.59 0.36 -0.85 0.00 0.00 174.74 175.60 2hw0 n LYS 15 N -0.73 3.71 -3.92 1.40 0.00 -1.26 -2.29 118.16 115.08 2hw0 n LYS 15 Ca 0.01 -2.85 -0.20 0.00 -0.00 0.00 0.00 58.31 55.27 2hw0 n LYS 15 Cb 0.64 -1.88 -0.17 0.00 -0.00 0.00 0.00 35.03 33.62 2hw0 n LYS 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2hw0 s ARG 16 N -1.99 0.53 -0.16 -1.58 0.52 -1.26 -0.02 118.95 115.00 2hw0 s ARG 16 Ca 0.48 0.06 -0.12 0.00 -0.52 0.00 0.00 55.73 55.63 2hw0 s ARG 16 Cb 0.32 -0.76 0.05 0.00 0.52 0.00 0.00 34.95 35.08 2hw0 s ARG 16 CO 0.21 -0.20 0.40 -1.58 0.02 0.00 0.00 175.30 174.16 2hw0 s TRP 17 N 1.42 -0.50 0.26 -0.53 0.52 -1.03 -4.33 118.94 114.74 2hw0 s TRP 17 Ca -0.04 1.16 0.09 0.00 0.02 0.00 0.00 56.10 57.33 2hw0 s TRP 17 Cb -0.13 0.19 -0.04 0.00 -1.15 0.00 0.00 33.47 32.34 2hw0 s TRP 17 CO -0.03 -0.27 0.06 0.14 0.02 0.00 0.00 176.95 176.88 2hw0 s VAL 18 N 0.70 3.77 0.02 4.03 -7.23 0.71 -2.27 120.40 120.13 2hw0 s VAL 18 Ca -0.04 -1.74 0.02 0.00 -1.81 0.00 0.00 61.98 58.42 2hw0 s VAL 18 Cb -0.05 -3.02 -0.01 0.00 0.56 0.00 0.00 36.38 33.85 2hw0 s VAL 18 CO -0.05 -0.36 -0.07 0.72 -0.31 0.00 0.00 175.10 175.03 2hw0 s PHE 19 N -2.24 0.62 -0.14 2.82 -0.71 -0.81 -1.58 117.98 115.93 2hw0 s PHE 19 Ca 0.32 -0.31 -0.07 0.00 -1.04 0.00 0.00 56.93 55.83 2hw0 s PHE 19 Cb -0.07 -0.38 0.06 0.00 -1.21 0.00 0.00 43.02 41.41 2hw0 s PHE 19 CO 0.21 -0.04 0.32 0.95 -1.34 0.00 0.00 175.22 175.32 2hw0 s THR 20 N -0.78 -0.11 -0.02 -4.49 -4.23 0.12 -2.42 115.64 103.71 2hw0 s THR 20 Ca -0.04 0.14 -0.00 0.00 -1.18 0.00 0.00 61.69 60.61 2hw0 s THR 20 Cb -0.06 -0.49 0.03 0.00 1.34 0.00 0.00 72.50 73.31 2hw0 s THR 20 CO 0.00 0.06 0.04 -0.22 -0.54 0.00 0.00 174.62 173.96 2hw0 s LEU 21 N 1.51 1.19 0.02 4.79 2.96 -0.75 -1.52 118.68 126.88 2hw0 s LEU 21 Ca -0.08 0.06 -0.28 0.00 -0.22 0.00 0.00 54.13 53.62 2hw0 s LEU 21 Cb -0.10 -0.01 -0.04 0.00 0.50 0.00 0.00 46.19 46.54 2hw0 s LEU 21 CO -0.10 -0.11 0.88 0.21 -1.32 0.00 0.00 176.35 175.90 2hw0 s ASN 22 N 0.91 7.29 -0.86 3.68 2.47 -1.26 -0.39 114.94 126.78 2hw0 s ASN 22 Ca -0.07 1.55 -0.04 0.00 0.42 0.00 0.00 52.86 54.71 2hw0 s ASN 22 Cb -0.11 -2.52 -0.00 0.00 -1.45 0.00 0.00 41.25 37.17 2hw0 s ASN 22 CO -0.03 -0.13 0.70 -3.20 -3.72 0.00 0.00 177.10 170.72 2hw0 n ASN 23 N 3.41 -6.35 -4.77 -4.21 2.85 0.78 -4.94 115.26 102.04 2hw0 n ASN 23 Ca 0.02 -0.57 -0.34 0.00 -0.11 0.00 0.00 54.58 53.58 2hw0 n ASN 23 Cb 0.50 -3.77 0.02 0.00 1.24 0.00 0.00 39.78 37.77 2hw0 n ASN 23 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2hw0 s PRO 24 N -4.24 3.13 0.35 1.20 0.04 -1.25 -5.04 135.00 129.18 2hw0 s PRO 24 Ca 0.11 1.52 -0.03 0.00 0.04 0.00 0.00 61.00 62.64 2hw0 s PRO 24 Cb -0.03 -1.98 -0.04 0.00 0.04 0.00 0.00 34.50 32.48 2hw0 s PRO 24 CO 0.82 -1.01 0.60 -1.12 0.04 0.00 0.00 177.00 176.33 2hw0 s SER 25 N -2.10 6.35 0.52 6.66 0.01 -1.26 -4.90 113.70 118.98 2hw0 s SER 25 Ca 0.70 0.66 0.16 0.00 1.31 0.00 0.00 55.95 58.79 2hw0 s SER 25 Cb -0.22 -2.12 1.27 0.00 0.21 0.00 0.00 66.02 65.15 2hw0 s SER 25 CO 0.33 -0.32 2.14 1.05 0.41 0.00 0.00 173.24 176.85 2hw0 h GLU 26 N 1.01 0.00 0.01 12.44 4.11 -1.98 0.24 114.58 130.41 2hw0 h GLU 26 Ca -0.48 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.91 2hw0 h GLU 26 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2hw0 h GLU 26 CO 0.63 0.02 -0.14 -0.44 0.07 0.00 0.00 179.01 179.15 2hw0 h ASP 27 N 0.00 0.10 -0.18 3.06 3.32 -1.98 -2.57 116.42 118.17 2hw0 h ASP 27 Ca -0.00 -0.89 -0.02 0.00 0.02 0.00 0.00 57.03 56.14 2hw0 h ASP 27 Cb 0.03 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2hw0 h ASP 27 CO 0.00 0.98 0.05 -0.08 -1.72 0.00 0.00 179.24 178.47 2hw0 h GLU 28 N -0.77 0.29 -0.66 3.56 4.22 -1.88 -0.89 114.58 118.45 2hw0 h GLU 28 Ca -0.02 -0.07 -0.01 0.00 0.08 0.00 0.00 59.36 59.34 2hw0 h GLU 28 Cb 1.02 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.19 2hw0 h GLU 28 CO 0.03 0.41 0.36 -0.09 -2.18 0.00 0.00 179.01 177.54 2hw0 h ARG 29 N 0.12 0.91 -0.21 1.92 2.43 -0.68 -2.15 114.38 116.72 2hw0 h ARG 29 Ca 0.06 -0.10 -0.14 0.00 -0.81 0.00 0.00 59.98 58.99 2hw0 h ARG 29 Cb 0.25 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2hw0 h ARG 29 CO -0.00 0.67 -0.46 0.87 -1.51 0.00 0.00 179.97 179.55 2hw0 h LYS 30 N 0.92 0.53 -0.13 0.20 1.57 -1.25 -1.69 116.57 116.71 2hw0 h LYS 30 Ca 0.23 -0.29 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2hw0 h LYS 30 Cb 0.03 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 2hw0 h LYS 30 CO -0.04 0.88 0.07 -0.22 -0.57 0.00 0.00 179.45 179.57 2hw0 h LYS 31 N 0.42 0.18 -0.46 3.15 3.64 -0.54 0.31 116.57 123.29 2hw0 h LYS 31 Ca 0.03 -0.02 -0.11 0.00 -1.27 0.00 0.00 60.65 59.28 2hw0 h LYS 31 Cb 0.96 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 2hw0 h LYS 31 CO 0.09 0.22 -0.14 0.82 -2.27 0.00 0.00 179.45 178.17 2hw0 h ILE 32 N 0.10 1.27 0.00 2.00 2.04 -1.43 -2.15 117.51 119.35 2hw0 h ILE 32 Ca 0.05 -1.27 -0.01 0.00 1.00 0.00 0.00 64.86 64.62 2hw0 h ILE 32 Cb 0.09 1.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2hw0 h ILE 32 CO -0.01 0.43 -0.06 -0.09 0.00 0.00 0.00 178.15 178.43 2hw0 h ARG 33 N 0.74 0.00 -0.63 2.37 2.43 -1.17 -2.41 114.38 115.72 2hw0 h ARG 33 Ca 0.11 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2hw0 h ARG 33 Cb 0.69 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 2hw0 h ARG 33 CO 0.05 0.06 0.00 -3.47 -1.51 0.00 0.00 179.97 175.10 2hw0 n ASP 34 N -3.18 3.64 -4.71 -3.80 2.03 0.11 -4.98 116.55 105.67 2hw0 n ASP 34 Ca 0.01 -1.99 -0.31 0.00 0.52 0.00 0.00 54.79 53.01 2hw0 n ASP 34 Cb 0.35 -0.42 0.14 0.00 -0.72 0.00 0.00 41.12 40.47 2hw0 n ASP 34 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2hw0 s LEU 35 N -1.11 2.84 -0.12 -2.67 1.43 -0.84 -4.93 118.68 113.30 2hw0 s LEU 35 Ca 0.45 2.02 -0.29 0.00 -1.03 0.00 0.00 54.13 55.27 2hw0 s LEU 35 Cb 0.24 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.92 2hw0 s LEU 35 CO 0.32 -2.73 1.54 -2.16 0.23 0.00 0.00 176.35 173.54 2hw0 s PRO 36 N -4.75 4.12 0.25 1.29 0.04 -1.26 -4.90 135.00 129.79 2hw0 s PRO 36 Ca 0.65 1.94 0.02 0.00 0.04 0.00 0.00 61.00 63.65 2hw0 s PRO 36 Cb -0.21 -3.93 0.31 0.00 0.04 0.00 0.00 34.50 30.71 2hw0 s PRO 36 CO 0.57 -0.89 1.63 -0.84 0.04 0.00 0.00 177.00 177.51 2hw0 h ILE 37 N 5.66 1.31 0.00 0.56 3.07 -1.91 -2.67 117.51 123.53 2hw0 h ILE 37 Ca -0.35 -1.60 -0.00 0.00 1.55 0.00 0.00 64.86 64.46 2hw0 h ILE 37 Cb 1.15 1.66 -0.00 0.00 -0.27 0.00 0.00 36.82 39.36 2hw0 h ILE 37 CO 0.97 0.49 -0.00 0.28 -1.05 0.00 0.00 178.15 178.83 2hw0 h SER 38 N 0.33 0.00 0.82 2.16 0.02 -1.98 -2.25 113.55 112.65 2hw0 h SER 38 Ca 0.03 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.84 2hw0 h SER 38 Cb 0.89 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.42 2hw0 h SER 38 CO 0.07 0.00 -0.62 0.25 -1.14 0.00 0.00 176.83 175.40 2hw0 h LEU 39 N 0.00 0.00 -7.80 5.07 6.46 -1.87 -3.42 115.31 113.74 2hw0 h LEU 39 Ca -0.00 0.00 -0.60 0.00 -0.12 0.00 0.00 57.88 57.16 2hw0 h LEU 39 Cb 0.36 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 39.93 2hw0 h LEU 39 CO 0.00 0.62 -0.82 -0.36 -0.62 0.00 0.00 178.44 177.27 2hw0 s PHE 40 N -3.38 2.18 0.54 1.25 0.40 -0.84 -2.40 117.98 115.72 2hw0 s PHE 40 Ca -0.00 -1.33 0.31 0.00 -0.60 0.00 0.00 56.93 55.31 2hw0 s PHE 40 Cb 0.11 -1.56 1.47 0.00 0.51 0.00 0.00 43.02 43.55 2hw0 s PHE 40 CO 0.75 -0.69 1.90 0.22 0.70 0.00 0.00 175.22 178.11 2hw0 h ASP 41 N 8.03 0.00 -3.29 1.36 1.82 -1.65 -3.39 116.42 119.31 2hw0 h ASP 41 Ca -0.32 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.03 2hw0 h ASP 41 Cb 1.12 -0.00 -0.35 0.00 0.68 0.00 0.00 39.33 40.78 2hw0 h ASP 41 CO 0.48 0.00 -0.66 -0.47 -1.61 0.00 0.00 179.24 176.99 2hw0 s TYR 42 N -4.98 -0.10 -0.13 0.28 5.04 -1.25 -0.45 117.35 115.76 2hw0 s TYR 42 Ca -0.05 0.44 -0.02 0.00 -2.44 0.00 0.00 57.07 55.00 2hw0 s TYR 42 Cb 0.21 -0.25 0.04 0.00 0.35 0.00 0.00 41.96 42.31 2hw0 s TYR 42 CO 0.77 -0.20 -0.01 0.12 -1.34 0.00 0.00 175.55 174.89 2hw0 s PHE 43 N 1.78 1.05 -0.09 4.97 2.19 -0.99 -0.17 117.98 126.71 2hw0 s PHE 43 Ca -0.02 -0.60 -0.02 0.00 0.33 0.00 0.00 56.93 56.63 2hw0 s PHE 43 Cb -0.12 -1.01 0.04 0.00 -1.31 0.00 0.00 43.02 40.62 2hw0 s PHE 43 CO -0.05 -0.48 0.03 -1.50 1.83 0.00 0.00 175.22 175.04 2hw0 s ILE 44 N 1.85 0.27 -0.02 3.12 2.07 -0.32 -1.54 121.20 126.64 2hw0 s ILE 44 Ca 0.02 0.05 0.07 0.00 -1.41 0.00 0.00 60.65 59.39 2hw0 s ILE 44 Cb -0.14 -0.54 -0.02 0.00 0.13 0.00 0.00 42.46 41.89 2hw0 s ILE 44 CO -0.07 0.13 -0.24 -0.69 -1.91 0.00 0.00 174.94 172.16 2hw0 s VAL 45 N 2.01 1.90 -0.03 4.00 1.01 -0.05 0.01 120.40 129.25 2hw0 s VAL 45 Ca 0.04 -1.03 0.02 0.00 0.00 0.00 0.00 61.98 61.00 2hw0 s VAL 45 Cb -0.13 -1.58 0.01 0.00 0.00 0.00 0.00 36.38 34.68 2hw0 s VAL 45 CO -0.06 0.54 -0.06 -0.83 0.00 0.00 0.00 175.10 174.69 2hw0 s GLY 46 N -0.57 0.43 -0.02 4.51 0.00 -0.58 -1.12 107.32 109.97 2hw0 s GLY 46 Ca 0.09 -0.16 -0.21 0.00 0.00 0.00 0.00 44.72 44.45 2hw0 s GLY 46 CO -0.01 0.16 0.60 1.85 0.00 0.00 0.00 173.10 175.69 2hw0 s GLU 47 N 0.49 4.33 -0.12 2.90 -6.30 0.86 -2.28 118.70 118.57 2hw0 s GLU 47 Ca -0.07 0.72 -0.07 0.00 -2.50 0.00 0.00 54.97 53.05 2hw0 s GLU 47 Cb -0.10 -3.36 -0.04 0.00 0.00 0.00 0.00 34.13 30.62 2hw0 s GLU 47 CO 0.00 0.31 0.14 -2.00 0.02 0.00 0.00 175.26 173.74 2hw0 s GLU 48 N -0.00 3.48 -0.50 4.30 2.12 0.68 -3.67 118.70 125.12 2hw0 s GLU 48 Ca 0.31 -0.13 0.06 0.00 0.36 0.00 0.00 54.97 55.58 2hw0 s GLU 48 Cb -0.18 -3.20 0.21 0.00 0.26 0.00 0.00 34.13 31.22 2hw0 s GLU 48 CO 0.17 0.76 0.80 0.41 -0.54 0.00 0.00 175.26 176.85 2hw0 n GLY 49 N 2.05 -0.40 0.10 -1.50 0.00 -1.26 -2.04 105.19 102.14 2hw0 n GLY 49 Ca -0.20 0.38 -0.01 0.00 0.00 0.00 0.00 46.02 46.19 2hw0 n GLY 49 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2hw0 n ASN 50 N 2.46 -1.97 -3.72 1.61 2.85 -1.26 -4.98 115.26 110.25 2hw0 n ASN 50 Ca 0.14 -0.08 -0.29 0.00 -0.11 0.00 0.00 54.58 54.24 2hw0 n ASN 50 Cb 0.59 -0.03 0.28 0.00 1.24 0.00 0.00 39.78 41.86 2hw0 n ASN 50 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 2hw0 n GLU 51 N -2.07 -3.94 -1.49 1.20 2.13 -1.26 -4.79 120.64 110.41 2hw0 n GLU 51 Ca 0.00 -1.16 -0.37 0.00 0.66 0.00 0.00 57.16 56.30 2hw0 n GLU 51 Cb 0.02 -1.99 0.06 0.00 0.27 0.00 0.00 31.44 29.80 2hw0 n GLU 51 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2hw0 n GLU 52 N -5.32 0.65 0.00 5.31 2.13 -1.26 -2.87 120.64 119.27 2hw0 n GLU 52 Ca 0.09 0.26 0.00 0.00 0.66 0.00 0.00 57.16 58.17 2hw0 n GLU 52 Cb 0.57 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 30.25 2hw0 n GLU 52 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2hw0 n GLY 53 N 1.42 3.33 3.65 8.31 0.00 -1.26 -5.04 105.19 115.59 2hw0 n GLY 53 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2hw0 n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hw0 s ARG 54 N -0.67 3.43 0.58 1.61 3.52 -1.14 -5.11 118.95 121.17 2hw0 s ARG 54 Ca 0.00 -0.39 -0.10 0.00 -0.13 0.00 0.00 55.73 55.11 2hw0 s ARG 54 Cb 0.00 -2.96 -0.04 0.00 -1.56 0.00 0.00 34.95 30.39 2hw0 s ARG 54 CO 0.00 0.50 0.97 0.95 -0.81 0.00 0.00 175.30 176.90 2hw0 s THR 55 N -0.30 4.75 -0.05 4.11 -4.23 -1.26 -4.72 115.64 113.94 2hw0 s THR 55 Ca 0.07 0.73 -0.30 0.00 -1.18 0.00 0.00 61.69 61.02 2hw0 s THR 55 Cb -0.12 -3.86 -0.05 0.00 1.34 0.00 0.00 72.50 69.81 2hw0 s THR 55 CO 0.02 -1.05 1.48 -2.16 -0.54 0.00 0.00 174.62 172.38 2hw0 s PRO 56 N -5.00 4.23 -0.06 3.99 0.04 -1.26 -4.77 135.00 132.17 2hw0 s PRO 56 Ca 0.53 2.01 0.04 0.00 0.04 0.00 0.00 61.00 63.62 2hw0 s PRO 56 Cb -0.11 -3.76 -0.02 0.00 0.04 0.00 0.00 34.50 30.65 2hw0 s PRO 56 CO 0.50 -0.71 -0.15 -1.58 0.04 0.00 0.00 177.00 175.10 2hw0 s HIS 57 N 3.22 2.69 -0.12 0.56 2.46 -0.86 -0.15 115.29 123.08 2hw0 s HIS 57 Ca 0.66 -0.23 -0.15 0.00 0.47 0.00 0.00 55.06 55.81 2hw0 s HIS 57 Cb -0.31 -1.64 -0.05 0.00 -0.13 0.00 0.00 32.58 30.45 2hw0 s HIS 57 CO 0.26 0.13 0.36 -1.17 -2.47 0.00 0.00 174.74 171.84 2hw0 s LEU 58 N -0.61 4.30 -0.21 8.88 0.20 0.48 -0.23 118.68 131.49 2hw0 s LEU 58 Ca 0.09 0.67 -0.04 0.00 0.69 0.00 0.00 54.13 55.54 2hw0 s LEU 58 Cb -0.11 -2.49 0.11 0.00 -0.43 0.00 0.00 46.19 43.27 2hw0 s LEU 58 CO 0.01 0.12 0.31 -1.58 -0.29 0.00 0.00 176.35 174.93 2hw0 s GLN 59 N 0.20 0.27 0.14 1.98 2.00 -0.97 -1.81 119.66 121.48 2hw0 s GLN 59 Ca 0.20 0.48 -0.08 0.00 -2.00 0.00 0.00 55.36 53.97 2hw0 s GLN 59 Cb -0.14 -0.62 -0.01 0.00 0.80 0.00 0.00 33.01 33.03 2hw0 s GLN 59 CO 0.07 -0.58 0.23 0.20 -0.50 0.00 0.00 175.29 174.71 2hw0 s GLY 60 N 2.46 0.48 -0.01 2.59 0.00 -1.01 -1.52 107.32 110.30 2hw0 s GLY 60 Ca 0.09 -0.92 0.05 0.00 0.00 0.00 0.00 44.72 43.93 2hw0 s GLY 60 CO -0.14 -0.92 -0.16 -0.12 0.00 0.00 0.00 173.10 171.77 2hw0 s PHE 61 N -3.96 1.41 -0.02 1.90 5.36 0.10 -1.93 117.98 120.84 2hw0 s PHE 61 Ca 0.15 -0.27 0.01 0.00 -0.96 0.00 0.00 56.93 55.86 2hw0 s PHE 61 Cb 0.04 -0.90 0.02 0.00 -0.34 0.00 0.00 43.02 41.84 2hw0 s PHE 61 CO -0.02 -0.02 -0.02 0.00 -1.46 0.00 0.00 175.22 173.70 2hw0 s ALA 62 N -0.39 0.36 -0.37 11.12 0.00 -0.96 -1.17 121.76 130.35 2hw0 s ALA 62 Ca 0.06 0.04 -0.16 0.00 0.00 0.00 0.00 51.96 51.90 2hw0 s ALA 62 Cb -0.06 -0.26 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 2hw0 s ALA 62 CO -0.00 -0.01 0.38 -0.80 0.00 0.00 0.00 175.76 175.32 2hw0 s ASN 63 N 0.66 6.18 0.09 0.00 0.01 0.76 -2.46 114.94 120.19 2hw0 s ASN 63 Ca -0.07 -0.37 -0.31 0.00 -0.71 0.00 0.00 52.86 51.40 2hw0 s ASN 63 Cb -0.10 -2.20 -0.08 0.00 0.41 0.00 0.00 41.25 39.28 2hw0 s ASN 63 CO -0.01 -0.41 1.45 -0.36 -1.51 0.00 0.00 177.10 176.26 2hw0 s PHE 64 N 2.04 3.05 0.60 2.20 0.08 0.97 -2.38 117.98 124.54 2hw0 s PHE 64 Ca 0.12 0.81 0.34 0.00 0.12 0.00 0.00 56.93 58.31 2hw0 s PHE 64 Cb -0.17 -3.74 1.97 0.00 -0.57 0.00 0.00 43.02 40.51 2hw0 s PHE 64 CO 0.12 -2.71 2.28 0.28 -0.10 0.00 0.00 175.22 175.09 2hw0 h VAL 65 N 4.42 0.39 -4.01 -0.44 2.07 -1.76 -3.42 116.25 113.50 2hw0 h VAL 65 Ca -0.41 -0.03 -0.26 0.00 0.82 0.00 0.00 66.70 66.81 2hw0 h VAL 65 Cb 1.20 1.02 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 2hw0 h VAL 65 CO 0.89 0.01 -0.21 2.29 0.02 0.00 0.00 177.57 180.56 2hw0 n LYS 66 N -3.63 0.96 -3.11 1.57 0.00 -1.26 -5.00 118.16 107.69 2hw0 n LYS 66 Ca -0.03 -1.59 -0.40 0.00 -0.00 0.00 0.00 58.31 56.29 2hw0 n LYS 66 Cb 0.09 0.74 -0.06 0.00 -0.00 0.00 0.00 35.03 35.80 2hw0 n LYS 66 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2hw0 s LYS 67 N -2.74 4.23 0.05 -1.58 -0.14 -1.26 -4.21 119.74 114.10 2hw0 s LYS 67 Ca 0.07 0.65 0.03 0.00 -1.36 0.00 0.00 55.97 55.36 2hw0 s LYS 67 Cb 0.00 -3.57 -0.03 0.00 -1.68 0.00 0.00 37.83 32.56 2hw0 s LYS 67 CO 0.05 -0.22 -0.09 -0.65 -0.76 0.00 0.00 175.35 173.68 2hw0 s GLN 68 N 1.83 0.60 0.60 1.68 -1.52 -0.97 -4.88 119.66 117.00 2hw0 s GLN 68 Ca 0.30 -0.83 -0.01 0.00 -1.95 0.00 0.00 55.36 52.86 2hw0 s GLN 68 Cb -0.16 -0.36 0.04 0.00 -0.22 0.00 0.00 33.01 32.31 2hw0 s GLN 68 CO 0.11 0.06 0.85 0.95 -0.25 0.00 0.00 175.29 177.02 2hw0 s THR 69 N -1.54 2.53 0.06 -0.19 -4.23 -1.26 -1.41 115.64 109.61 2hw0 s THR 69 Ca -0.07 -0.53 -0.28 0.00 -1.18 0.00 0.00 61.69 59.62 2hw0 s THR 69 Cb -0.09 -3.00 -0.17 0.00 1.34 0.00 0.00 72.50 70.58 2hw0 s THR 69 CO 0.00 0.00 1.57 0.15 -0.54 0.00 0.00 174.62 175.80 2hw0 h PHE 70 N -0.15 -0.48 -0.85 3.99 3.57 -1.94 0.31 116.94 121.39 2hw0 h PHE 70 Ca -0.43 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.04 2hw0 h PHE 70 Cb 1.30 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 40.16 2hw0 h PHE 70 CO 0.36 -0.25 0.44 -0.91 -2.23 0.00 0.00 178.31 175.72 2hw0 h ASN 71 N -0.60 1.08 0.01 0.41 2.35 -2.00 -2.62 115.58 114.22 2hw0 h ASN 71 Ca -0.05 -0.12 -0.00 0.00 -0.55 0.00 0.00 56.30 55.58 2hw0 h ASN 71 Cb 0.44 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.54 2hw0 h ASN 71 CO 0.09 0.89 -0.00 0.50 -1.65 0.00 0.00 177.43 177.25 2hw0 h LYS 72 N 1.19 -0.01 -0.30 0.81 1.63 -1.92 -2.67 116.57 115.31 2hw0 h LYS 72 Ca 0.30 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 60.18 2hw0 h LYS 72 Cb 0.07 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 2hw0 h LYS 72 CO -0.04 0.25 0.35 0.28 -3.45 0.00 0.00 179.45 176.84 2hw0 h VAL 73 N -0.27 0.37 0.00 2.00 2.07 -0.23 0.29 116.25 120.48 2hw0 h VAL 73 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2hw0 h VAL 73 Cb 0.27 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 2hw0 h VAL 73 CO 0.00 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.88 2hw0 n LYS 74 N -3.68 0.08 0.28 1.57 5.02 -1.00 -1.65 118.16 118.79 2hw0 n LYS 74 Ca 0.05 0.47 0.18 0.00 -2.02 0.00 0.00 58.31 56.98 2hw0 n LYS 74 Cb 0.50 -1.71 0.74 0.00 -0.02 0.00 0.00 35.03 34.54 2hw0 n LYS 74 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 2hw0 h TRP 75 N 0.00 0.00 0.00 2.13 5.08 -0.54 0.37 115.95 122.98 2hw0 h TRP 75 Ca 0.00 0.00 -0.16 0.00 1.08 0.00 0.00 58.89 59.81 2hw0 h TRP 75 Cb 0.13 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.27 2hw0 h TRP 75 CO 0.00 0.00 -1.51 0.66 -1.28 0.00 0.00 178.44 176.31 2hw0 n TYR 76 N -3.09 0.00 0.57 0.12 4.01 -0.66 -4.61 117.16 113.50 2hw0 n TYR 76 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.84 2hw0 n TYR 76 Cb 0.28 -0.34 0.43 0.00 -0.31 0.00 0.00 39.34 39.39 2hw0 n TYR 76 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2hw0 n LEU 77 N -3.45 0.28 -0.96 7.72 4.77 -0.93 -4.94 117.00 119.50 2hw0 n LEU 77 Ca -0.19 0.56 0.05 0.00 -0.03 0.00 0.00 56.01 56.40 2hw0 n LEU 77 Cb 0.62 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 2hw0 n LEU 77 CO 0.01 -0.29 -0.36 0.61 -1.33 0.00 0.00 177.39 176.04 2hw0 n GLY 78 N 0.40 -3.38 0.14 -0.72 0.00 0.12 -4.14 105.19 97.61 2hw0 n GLY 78 Ca 0.04 -1.10 0.01 0.00 0.00 0.00 0.00 46.02 44.97 2hw0 n GLY 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hw0 h ALA 79 N -0.38 0.81 -0.93 4.61 0.00 -1.95 -3.21 119.26 118.21 2hw0 h ALA 79 Ca -0.06 -0.53 0.13 0.00 0.00 0.00 0.00 54.91 54.45 2hw0 h ALA 79 Cb 0.74 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.35 2hw0 h ALA 79 CO 0.02 0.73 0.55 0.07 0.00 0.00 0.00 179.25 180.63 2hw0 h ARG 80 N 0.00 0.81 -5.89 0.00 0.11 -1.95 -3.40 114.38 104.07 2hw0 h ARG 80 Ca -0.01 -0.05 -0.59 0.00 0.10 0.00 0.00 59.98 59.43 2hw0 h ARG 80 Cb 1.21 -0.18 -0.07 0.00 1.11 0.00 0.00 29.97 32.04 2hw0 h ARG 80 CO 0.08 0.54 -0.17 0.00 0.10 0.00 0.00 179.97 180.51 2hw0 s HIS 82 N -0.32 3.43 -0.00 0.00 2.46 -0.58 -4.82 115.29 115.47 2hw0 s HIS 82 Ca 0.24 1.33 0.04 0.00 0.47 0.00 0.00 55.06 57.14 2hw0 s HIS 82 Cb -0.16 -3.43 -0.03 0.00 -0.13 0.00 0.00 32.58 28.83 2hw0 s HIS 82 CO 0.12 -1.29 -0.10 0.42 -2.47 0.00 0.00 174.74 171.42 2hw0 s ILE 83 N 0.69 3.41 0.16 0.89 1.01 -1.26 -0.71 121.20 125.39 2hw0 s ILE 83 Ca 0.57 -0.83 -0.11 0.00 0.00 0.00 0.00 60.65 60.29 2hw0 s ILE 83 Cb -0.31 -2.45 0.00 0.00 0.01 0.00 0.00 42.46 39.71 2hw0 s ILE 83 CO 0.31 0.42 0.32 -0.70 0.00 0.00 0.00 174.94 175.30 2hw0 s GLU 84 N -1.29 1.16 0.05 2.79 2.56 -0.62 -4.98 118.70 118.37 2hw0 s GLU 84 Ca 0.15 -1.08 -0.28 0.00 0.00 0.00 0.00 54.97 53.76 2hw0 s GLU 84 Cb -0.11 0.40 -0.05 0.00 2.00 0.00 0.00 34.13 36.38 2hw0 s GLU 84 CO 0.06 -0.43 0.89 0.15 -0.56 0.00 0.00 175.26 175.36 2hw0 s LYS 85 N -3.93 4.58 0.45 4.30 1.02 -1.26 -0.21 119.74 124.69 2hw0 s LYS 85 Ca 0.14 1.29 -0.07 0.00 0.02 0.00 0.00 55.97 57.34 2hw0 s LYS 85 Cb 0.03 -3.40 -0.05 0.00 -0.52 0.00 0.00 37.83 33.89 2hw0 s LYS 85 CO -0.02 0.14 0.78 0.00 -0.92 0.00 0.00 175.35 175.33 2hw0 s ALA 86 N 0.34 3.38 0.01 5.17 0.00 -1.26 -4.87 121.76 124.53 2hw0 s ALA 86 Ca 0.45 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2hw0 s ALA 86 Cb -0.21 -2.64 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 2hw0 s ALA 86 CO 0.26 -0.22 -0.01 -1.59 0.00 0.00 0.00 175.76 174.20 2hw0 s LYS 87 N -4.40 0.12 0.00 0.00 -2.85 -1.26 -4.98 119.74 106.37 2hw0 s LYS 87 Ca 0.49 -0.23 0.00 0.00 -1.00 0.00 0.00 55.97 55.23 2hw0 s LYS 87 Cb -0.10 0.03 0.00 0.00 -2.06 0.00 0.00 37.83 35.70 2hw0 s LYS 87 CO 0.40 -0.02 0.00 0.41 0.10 0.00 0.00 175.35 176.24 2hw0 n GLY 88 N 2.53 -0.59 3.98 0.59 0.00 -1.26 -4.80 105.19 105.63 2hw0 n GLY 88 Ca -0.16 -2.18 -0.20 0.00 0.00 0.00 0.00 46.02 43.48 2hw0 n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hw0 s THR 89 N 0.00 2.46 0.27 2.61 -4.23 -1.26 -4.96 115.64 110.54 2hw0 s THR 89 Ca 0.00 -1.13 -0.01 0.00 -1.18 0.00 0.00 61.69 59.37 2hw0 s THR 89 Cb 0.00 -2.60 0.28 0.00 1.34 0.00 0.00 72.50 71.52 2hw0 s THR 89 CO 0.00 0.00 1.86 -0.78 -0.54 0.00 0.00 174.62 175.16 2hw0 h ASP 90 N 0.58 0.98 -0.23 3.99 1.82 -1.94 -0.82 116.42 120.81 2hw0 h ASP 90 Ca -0.36 0.03 -0.09 0.00 -0.39 0.00 0.00 57.03 56.22 2hw0 h ASP 90 Cb 1.28 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 41.10 2hw0 h ASP 90 CO 0.48 0.58 -0.13 1.56 -1.61 0.00 0.00 179.24 180.11 2hw0 h GLN 91 N 1.08 0.64 -0.54 0.28 1.08 -1.95 0.27 115.11 115.97 2hw0 h GLN 91 Ca 0.46 -0.21 -0.09 0.00 -1.45 0.00 0.00 58.65 57.36 2hw0 h GLN 91 Cb 0.32 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 2hw0 h GLN 91 CO -0.22 0.75 -0.02 1.96 -0.95 0.00 0.00 178.83 180.35 2hw0 h GLN 92 N 0.58 0.97 0.13 1.46 4.20 -1.56 -1.00 115.11 119.90 2hw0 h GLN 92 Ca 0.10 -0.32 -0.30 0.00 0.06 0.00 0.00 58.65 58.19 2hw0 h GLN 92 Cb 0.57 -0.08 0.03 0.00 0.30 0.00 0.00 27.48 28.29 2hw0 h GLN 92 CO 0.04 0.99 -1.25 -0.91 -0.67 0.00 0.00 178.83 177.02 2hw0 h ASN 93 N 0.85 0.80 -0.24 1.46 -0.26 -1.13 -2.03 115.58 115.03 2hw0 h ASN 93 Ca 0.15 -0.76 -0.00 0.00 -0.56 0.00 0.00 56.30 55.13 2hw0 h ASN 93 Cb 0.56 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.56 2hw0 h ASN 93 CO 0.03 1.57 0.13 0.50 -1.06 0.00 0.00 177.43 178.60 2hw0 h LYS 94 N 0.24 0.33 -0.18 0.81 3.64 -0.42 -0.82 116.57 120.17 2hw0 h LYS 94 Ca -0.18 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.00 2hw0 h LYS 94 Cb 1.93 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.68 2hw0 h LYS 94 CO 0.23 0.31 -0.54 0.93 -2.27 0.00 0.00 179.45 178.11 2hw0 h GLU 95 N 0.28 0.53 -0.15 1.90 5.08 -1.28 -2.68 114.58 118.26 2hw0 h GLU 95 Ca 0.08 -0.33 -0.00 0.00 -1.00 0.00 0.00 59.36 58.11 2hw0 h GLU 95 Cb 0.07 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2hw0 h GLU 95 CO -0.01 0.93 0.08 -0.92 -1.00 0.00 0.00 179.01 178.09 2hw0 h TYR 96 N 0.41 0.20 -0.39 4.33 3.20 -1.14 0.29 116.97 123.87 2hw0 h TYR 96 Ca 0.01 -0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2hw0 h TYR 96 Cb 1.08 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 39.27 2hw0 h TYR 96 CO 0.04 0.21 0.06 0.00 -1.64 0.00 0.00 178.16 176.83 2hw0 n SER 98 N -4.30 0.51 0.33 0.00 3.41 -1.01 -3.55 113.62 109.00 2hw0 n SER 98 Ca 0.02 0.38 0.21 0.00 -0.26 0.00 0.00 58.87 59.22 2hw0 n SER 98 Cb 0.22 -0.41 1.12 0.00 -0.26 0.00 0.00 64.21 64.88 2hw0 n SER 98 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2hw0 h LYS 99 N 0.00 0.00 0.00 4.33 3.64 0.56 0.13 116.57 125.23 2hw0 h LYS 99 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2hw0 h LYS 99 Cb 0.64 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.46 2hw0 h LYS 99 CO 0.00 0.00 0.00 0.39 -2.27 0.00 0.00 179.45 177.57 2hw0 n GLU 100 N -3.20 0.16 -0.60 1.90 1.02 -1.23 -4.87 120.64 113.81 2hw0 n GLU 100 Ca -0.03 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.43 2hw0 n GLU 100 Cb 0.12 -1.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.78 2hw0 n GLU 100 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2hw0 n GLY 101 N 0.37 1.49 2.86 0.62 0.00 0.45 -4.52 105.19 106.46 2hw0 n GLY 101 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.84 2hw0 n GLY 101 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2hw0 s ASN 102 N -3.25 1.27 -0.25 1.61 2.47 -1.24 -5.06 114.94 110.49 2hw0 s ASN 102 Ca 0.00 -0.14 -0.08 0.00 0.42 0.00 0.00 52.86 53.06 2hw0 s ASN 102 Cb 0.00 -0.50 -0.03 0.00 -1.45 0.00 0.00 41.25 39.27 2hw0 s ASN 102 CO 0.00 -0.10 0.09 -0.76 -3.72 0.00 0.00 177.10 172.62 2hw0 s LEU 103 N 1.27 3.58 -0.08 3.21 2.01 -1.26 -0.10 118.68 127.32 2hw0 s LEU 103 Ca -0.05 -0.15 -0.11 0.00 0.01 0.00 0.00 54.13 53.83 2hw0 s LEU 103 Cb -0.14 -1.96 -0.29 0.00 0.01 0.00 0.00 46.19 43.81 2hw0 s LEU 103 CO -0.02 -0.02 0.56 0.25 1.01 0.00 0.00 176.35 178.13 2hw0 h LEU 104 N 8.14 0.52 -7.39 1.79 5.85 -1.42 -3.44 115.31 119.36 2hw0 h LEU 104 Ca -0.37 -0.92 -0.16 0.00 0.84 0.00 0.00 57.88 57.27 2hw0 h LEU 104 Cb 1.18 -0.17 -0.26 0.00 0.37 0.00 0.00 40.66 41.78 2hw0 h LEU 104 CO 0.58 1.78 -0.38 -0.32 -0.34 0.00 0.00 178.44 179.75 2hw0 s MET 105 N -2.55 0.32 -0.25 1.25 0.00 -0.79 -4.98 119.30 112.30 2hw0 s MET 105 Ca -0.19 0.48 -0.02 0.00 0.00 0.00 0.00 55.69 55.96 2hw0 s MET 105 Cb 0.06 0.08 0.08 0.00 0.00 0.00 0.00 34.83 35.05 2hw0 s MET 105 CO 0.81 -0.08 0.08 -2.00 0.00 0.00 0.00 175.02 173.83 2hw0 s GLU 106 N 0.54 0.55 0.35 4.11 2.12 -1.26 -0.87 118.70 124.24 2hw0 s GLU 106 Ca -0.03 -0.64 -0.10 0.00 0.36 0.00 0.00 54.97 54.56 2hw0 s GLU 106 Cb -0.05 -1.87 0.02 0.00 0.26 0.00 0.00 34.13 32.50 2hw0 s GLU 106 CO -0.03 -0.83 0.62 0.00 -0.54 0.00 0.00 175.26 174.47 2hw0 n GLY 108 N -0.53 -3.22 3.69 0.00 0.00 -1.26 -2.35 105.19 101.51 2hw0 n GLY 108 Ca -0.03 -1.86 -0.23 0.00 0.00 0.00 0.00 46.02 43.89 2hw0 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hw0 s ALA 109 N -1.10 3.26 -0.57 4.61 0.00 0.40 -4.87 121.76 123.49 2hw0 s ALA 109 Ca 0.00 -1.57 -0.27 0.00 0.00 0.00 0.00 51.96 50.12 2hw0 s ALA 109 Cb 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 2hw0 s ALA 109 CO 0.00 0.28 1.84 -1.25 0.00 0.00 0.00 175.76 176.63 2hw0 s PRO 110 N -3.64 2.75 0.63 0.00 0.04 -1.26 -4.55 135.00 128.97 2hw0 s PRO 110 Ca 0.31 0.72 -0.16 0.00 0.04 0.00 0.00 61.00 61.92 2hw0 s PRO 110 Cb -0.07 -4.35 -0.01 0.00 0.04 0.00 0.00 34.50 30.10 2hw0 s PRO 110 CO 0.21 -2.58 1.10 1.03 0.04 0.00 0.00 177.00 176.80 2hw0 s ARG 111 N 6.80 2.98 0.11 4.56 1.81 -1.26 -5.06 118.95 128.87 2hw0 s ARG 111 Ca 0.69 1.38 0.02 0.00 -1.72 0.00 0.00 55.73 56.10 2hw0 s ARG 111 Cb -0.14 -1.97 -0.04 0.00 -0.45 0.00 0.00 34.95 32.35 2hw0 s ARG 111 CO 0.23 -1.11 -0.08 0.45 -0.68 0.00 0.00 175.30 174.11 2hw0 s SER 112 N -2.52 1.29 0.37 0.23 0.15 -1.26 -4.27 113.70 107.69 2hw0 s SER 112 Ca 0.67 -0.97 0.04 0.00 0.70 0.00 0.00 55.95 56.39 2hw0 s SER 112 Cb -0.20 0.06 -0.01 0.00 -1.71 0.00 0.00 66.02 64.17 2hw0 s SER 112 CO 0.39 -0.41 0.54 -1.10 1.20 0.00 0.00 173.24 173.86 2hw0 s GLN 113 N -3.64 3.12 0.13 5.44 -0.21 -1.26 -4.96 119.66 118.28 2hw0 s GLN 113 Ca 0.11 -0.79 -0.25 0.00 0.02 0.00 0.00 55.36 54.46 2hw0 s GLN 113 Cb 0.03 -2.72 0.08 0.00 1.00 0.00 0.00 33.01 31.40 2hw0 s GLN 113 CO -0.03 -0.04 1.05 0.20 -2.12 0.00 0.00 175.29 174.35 2hw0 s GLY 114 N -4.18 -0.15 0.00 3.09 0.00 -1.26 -5.04 107.32 99.79 2hw0 s GLY 114 Ca 0.45 0.07 0.11 0.00 0.00 0.00 0.00 44.72 45.36 2hw0 s GLY 114 CO 0.34 0.96 0.84 -1.61 0.00 0.00 0.00 173.10 173.63 2hw0 h GLN 115 N 2.00 0.00 0.00 2.90 4.15 -2.10 -3.56 115.11 118.50 2hw0 h GLN 115 Ca -0.26 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.15 2hw0 h GLN 115 Cb 1.22 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.91 2hw0 h GLN 115 CO 0.29 0.64 0.00 0.54 -1.93 0.00 0.00 178.83 178.38