#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hw0 s SER 3 N 0.00 1.96 -0.34 3.54 0.01 -1.26 -5.09 113.70 112.53 2hw0 s SER 3 Ca 0.00 -1.20 0.16 0.00 1.31 0.00 0.00 55.95 56.22 2hw0 s SER 3 Cb 0.00 -0.02 0.42 0.00 0.21 0.00 0.00 66.02 66.64 2hw0 s SER 3 CO 0.00 -0.47 0.88 0.29 0.41 0.00 0.00 173.24 174.35 2hw0 n LYS 4 N -0.42 1.10 -3.31 12.44 5.02 -1.26 -4.97 118.16 126.76 2hw0 n LYS 4 Ca -0.06 -3.30 -0.26 0.00 -2.02 0.00 0.00 58.31 52.67 2hw0 n LYS 4 Cb 0.64 -1.40 -0.07 0.00 -0.02 0.00 0.00 35.03 34.18 2hw0 n LYS 4 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2hw0 n LYS 5 N 0.05 2.30 -4.09 1.97 4.01 -1.26 -5.04 118.16 116.09 2hw0 n LYS 5 Ca 0.14 -4.43 -0.22 0.00 -0.51 0.00 0.00 58.31 53.30 2hw0 n LYS 5 Cb 0.77 -2.07 -0.17 0.00 -0.51 0.00 0.00 35.03 33.05 2hw0 n LYS 5 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 2hw0 s ASN 6 N -2.42 1.25 0.00 4.39 -0.87 -1.26 -5.08 114.94 110.96 2hw0 s ASN 6 Ca 0.40 -0.15 0.00 0.00 -1.57 0.00 0.00 52.86 51.55 2hw0 s ASN 6 Cb 0.18 -0.51 0.00 0.00 -0.02 0.00 0.00 41.25 40.90 2hw0 s ASN 6 CO -0.05 -0.08 0.00 0.61 -2.57 0.00 0.00 177.10 175.01 2hw0 n GLY 7 N 4.34 2.26 2.01 0.66 0.00 -1.26 -5.13 105.19 108.08 2hw0 n GLY 7 Ca -0.20 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 0.00 0.00 -0.96 1.61 1.74 -1.26 -5.16 116.66 112.63 2hw0 n ARG 8 Ca 0.00 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.21 2hw0 n ARG 8 Cb 0.00 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 31.41 2hw0 n ARG 8 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2hw0 n SER 9 N -3.01 -7.72 0.00 0.55 2.88 -1.26 -4.63 113.62 100.43 2hw0 n SER 9 Ca 0.00 1.03 0.00 0.00 -1.33 0.00 0.00 58.87 58.57 2hw0 n SER 9 Cb 0.00 -2.90 0.00 0.00 -0.75 0.00 0.00 64.21 60.56 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 -2.81 -1.28 3.73 0.46 0.00 -1.26 -4.81 105.19 99.23 2hw0 n GLY 10 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.74 4.37 0.12 1.61 0.04 -1.26 -5.04 135.00 133.10 2hw0 s PRO 11 Ca 0.00 2.04 0.04 0.00 0.04 0.00 0.00 61.00 63.13 2hw0 s PRO 11 Cb 0.00 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.27 2hw0 s PRO 11 CO 0.00 -0.32 -0.11 1.14 0.04 0.00 0.00 177.00 177.75 2hw0 s GLN 12 N 0.44 0.97 0.50 4.56 -2.07 -1.26 -5.04 119.66 117.76 2hw0 s GLN 12 Ca 0.60 -1.31 -0.21 0.00 -1.82 0.00 0.00 55.36 52.61 2hw0 s GLN 12 Cb -0.36 -0.62 -0.07 0.00 -1.09 0.00 0.00 33.01 30.87 2hw0 s GLN 12 CO 0.34 0.09 1.15 -1.25 -1.32 0.00 0.00 175.29 174.30 2hw0 s PRO 13 N -3.25 3.57 0.34 9.60 0.04 -1.26 -4.90 135.00 139.14 2hw0 s PRO 13 Ca 0.11 1.69 0.05 0.00 0.04 0.00 0.00 61.00 62.90 2hw0 s PRO 13 Cb -0.00 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.29 2hw0 s PRO 13 CO 0.01 -0.69 0.22 -1.01 0.04 0.00 0.00 177.00 175.56 2hw0 s HIS 14 N -1.66 1.72 -1.35 0.56 3.76 -0.44 -4.67 115.29 113.21 2hw0 s HIS 14 Ca 0.68 -1.51 0.19 0.00 -0.15 0.00 0.00 55.06 54.26 2hw0 s HIS 14 Cb -0.26 -0.85 0.64 0.00 1.11 0.00 0.00 32.58 33.22 2hw0 s HIS 14 CO 0.31 -0.66 1.55 0.36 -0.85 0.00 0.00 174.74 175.45 2hw0 n LYS 15 N -0.69 3.28 -4.04 1.40 0.00 -1.26 -2.20 118.16 114.65 2hw0 n LYS 15 Ca 0.03 -2.73 -0.21 0.00 -0.00 0.00 0.00 58.31 55.40 2hw0 n LYS 15 Cb 0.63 -1.72 -0.17 0.00 -0.00 0.00 0.00 35.03 33.78 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 -1.51 0.82 -0.16 -1.58 0.52 -1.26 -0.02 118.95 115.76 2hw0 s ARG 16 Ca 0.47 -0.06 -0.12 0.00 -0.52 0.00 0.00 55.73 55.50 2hw0 s ARG 16 Cb 0.28 -0.93 0.05 0.00 0.52 0.00 0.00 34.95 34.87 2hw0 s ARG 16 CO 0.26 -0.15 0.40 -1.58 0.02 0.00 0.00 175.30 174.25 2hw0 s TRP 17 N 1.25 -0.50 0.28 -0.53 0.52 -1.00 -4.10 118.94 114.87 2hw0 s TRP 17 Ca -0.06 1.15 0.08 0.00 0.02 0.00 0.00 56.10 57.29 2hw0 s TRP 17 Cb -0.14 0.19 -0.04 0.00 -1.15 0.00 0.00 33.47 32.34 2hw0 s TRP 17 CO -0.02 -0.26 0.11 0.14 0.02 0.00 0.00 176.95 176.94 2hw0 s VAL 18 N 0.70 3.65 0.00 4.03 -7.23 0.70 -2.31 120.40 119.95 2hw0 s VAL 18 Ca -0.04 -1.68 -0.01 0.00 -1.81 0.00 0.00 61.98 58.44 2hw0 s VAL 18 Cb -0.05 -3.06 -0.01 0.00 0.56 0.00 0.00 36.38 33.82 2hw0 s VAL 18 CO -0.05 -0.31 0.01 0.72 -0.31 0.00 0.00 175.10 175.16 2hw0 s PHE 19 N -2.29 0.11 -0.13 2.82 -0.71 -0.90 -1.12 117.98 115.76 2hw0 s PHE 19 Ca 0.34 -0.23 -0.06 0.00 -1.04 0.00 0.00 56.93 55.94 2hw0 s PHE 19 Cb -0.06 -0.09 0.05 0.00 -1.21 0.00 0.00 43.02 41.72 2hw0 s PHE 19 CO 0.22 -0.12 0.30 0.95 -1.34 0.00 0.00 175.22 175.23 2hw0 s THR 20 N -0.80 -0.11 -0.03 -4.49 -4.23 0.10 -2.64 115.64 103.44 2hw0 s THR 20 Ca -0.09 0.15 -0.01 0.00 -1.18 0.00 0.00 61.69 60.57 2hw0 s THR 20 Cb -0.05 -0.46 0.03 0.00 1.34 0.00 0.00 72.50 73.35 2hw0 s THR 20 CO -0.00 0.06 0.05 -0.22 -0.54 0.00 0.00 174.62 173.97 2hw0 s LEU 21 N 1.51 0.93 0.14 4.79 2.96 -0.78 -1.89 118.68 126.35 2hw0 s LEU 21 Ca -0.08 0.08 -0.30 0.00 -0.22 0.00 0.00 54.13 53.62 2hw0 s LEU 21 Cb -0.10 -0.01 -0.07 0.00 0.50 0.00 0.00 46.19 46.51 2hw0 s LEU 21 CO -0.10 -0.14 0.95 0.54 -1.32 0.00 0.00 176.35 176.27 2hw0 s ASN 22 N 1.20 7.53 -0.84 3.68 2.20 -1.26 -0.93 114.94 126.52 2hw0 s ASN 22 Ca -0.08 1.82 -0.03 0.00 -0.94 0.00 0.00 52.86 53.63 2hw0 s ASN 22 Cb -0.13 -2.59 -0.00 0.00 -2.00 0.00 0.00 41.25 36.53 2hw0 s ASN 22 CO -0.03 0.00 0.69 -3.20 -2.94 0.00 0.00 177.10 171.62 2hw0 n ASN 23 N 2.43 -6.42 -4.77 3.54 4.05 0.86 -4.93 115.26 110.01 2hw0 n ASN 23 Ca 0.01 -0.53 -0.35 0.00 0.45 0.00 0.00 54.58 54.16 2hw0 n ASN 23 Cb 0.49 -3.82 0.01 0.00 1.23 0.00 0.00 39.78 37.68 2hw0 n ASN 23 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2hw0 s PRO 24 N -4.14 3.31 0.37 1.20 0.04 -1.25 -5.04 135.00 129.48 2hw0 s PRO 24 Ca 0.09 1.60 -0.02 0.00 0.04 0.00 0.00 61.00 62.70 2hw0 s PRO 24 Cb -0.03 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2hw0 s PRO 24 CO 0.81 -0.88 0.61 -1.12 0.04 0.00 0.00 177.00 176.46 2hw0 s SER 25 N -1.83 6.32 0.50 6.66 0.01 -1.26 -4.89 113.70 119.21 2hw0 s SER 25 Ca 0.72 0.63 0.16 0.00 1.31 0.00 0.00 55.95 58.77 2hw0 s SER 25 Cb -0.24 -2.11 1.22 0.00 0.21 0.00 0.00 66.02 65.11 2hw0 s SER 25 CO 0.28 -0.35 2.12 1.05 0.41 0.00 0.00 173.24 176.75 2hw0 h GLU 26 N 0.82 0.00 0.01 12.44 -0.00 -1.98 0.25 114.58 126.12 2hw0 h GLU 26 Ca -0.49 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 58.85 2hw0 h GLU 26 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.96 2hw0 h GLU 26 CO 0.62 0.04 -0.11 0.22 -0.00 0.00 0.00 179.01 179.78 2hw0 h ASP 27 N 0.00 0.08 -0.16 3.06 3.58 -1.98 -2.59 116.42 118.40 2hw0 h ASP 27 Ca -0.00 -0.91 -0.01 0.00 0.42 0.00 0.00 57.03 56.53 2hw0 h ASP 27 Cb 0.08 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.10 2hw0 h ASP 27 CO 0.01 0.98 0.04 -0.08 -2.88 0.00 0.00 179.24 177.31 2hw0 h GLU 28 N -0.81 0.25 -0.80 0.28 4.81 -1.89 0.82 114.58 117.24 2hw0 h GLU 28 Ca -0.02 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 2hw0 h GLU 28 Cb 1.01 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 2hw0 h GLU 28 CO 0.02 0.39 0.53 -0.09 -0.73 0.00 0.00 179.01 179.13 2hw0 h ARG 29 N 0.07 1.05 -0.19 1.92 1.12 -0.65 -1.81 114.38 115.89 2hw0 h ARG 29 Ca 0.05 -0.06 -0.13 0.00 -1.11 0.00 0.00 59.98 58.72 2hw0 h ARG 29 Cb 0.25 -0.24 -0.01 0.00 -0.01 0.00 0.00 29.97 29.96 2hw0 h ARG 29 CO -0.00 0.70 -0.45 0.87 -3.11 0.00 0.00 179.97 177.98 2hw0 h LYS 30 N 1.08 0.47 -0.09 0.20 1.57 -1.33 -2.53 116.57 115.95 2hw0 h LYS 30 Ca 0.29 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 2hw0 h LYS 30 Cb -0.12 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.19 2hw0 h LYS 30 CO -0.06 0.83 0.05 -0.22 -0.57 0.00 0.00 179.45 179.48 2hw0 h LYS 31 N 0.38 0.13 -0.58 3.15 3.11 -0.26 0.37 116.57 122.86 2hw0 h LYS 31 Ca 0.03 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.82 2hw0 h LYS 31 Cb 0.95 -0.02 -0.03 0.00 -1.00 0.00 0.00 32.23 32.12 2hw0 h LYS 31 CO 0.08 0.18 0.27 0.82 -2.81 0.00 0.00 179.45 177.99 2hw0 h ILE 32 N 0.05 1.21 0.00 2.00 2.04 -1.33 -2.08 117.51 119.40 2hw0 h ILE 32 Ca 0.03 -0.63 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 2hw0 h ILE 32 Cb 0.09 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2hw0 h ILE 32 CO -0.00 0.25 -0.10 -0.09 0.00 0.00 0.00 178.15 178.20 2hw0 h ARG 33 N 0.80 0.00 -0.38 2.37 2.43 -1.29 -2.58 114.38 115.73 2hw0 h ARG 33 Ca 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2hw0 h ARG 33 Cb 0.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 2hw0 h ARG 33 CO -0.02 0.10 0.00 -0.25 -1.51 0.00 0.00 179.97 178.29 2hw0 n ASP 34 N -3.20 2.33 -4.74 -3.80 9.92 0.13 -4.94 116.55 112.24 2hw0 n ASP 34 Ca 0.01 -1.94 -0.31 0.00 -0.53 0.00 0.00 54.79 52.03 2hw0 n ASP 34 Cb 0.41 -0.25 0.11 0.00 -0.64 0.00 0.00 41.12 40.74 2hw0 n ASP 34 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2hw0 s LEU 35 N -1.16 2.87 -0.08 0.64 1.43 -0.88 -4.95 118.68 116.55 2hw0 s LEU 35 Ca 0.31 1.83 -0.30 0.00 -1.03 0.00 0.00 54.13 54.95 2hw0 s LEU 35 Cb 0.17 -4.43 -0.04 0.00 0.03 0.00 0.00 46.19 41.91 2hw0 s LEU 35 CO 0.23 -2.31 1.51 -2.16 0.23 0.00 0.00 176.35 173.85 2hw0 s PRO 36 N -4.86 4.21 0.23 1.29 0.04 -1.26 -4.91 135.00 129.73 2hw0 s PRO 36 Ca 0.62 2.01 -0.00 0.00 0.04 0.00 0.00 61.00 63.67 2hw0 s PRO 36 Cb -0.18 -3.87 0.23 0.00 0.04 0.00 0.00 34.50 30.72 2hw0 s PRO 36 CO 0.57 -0.77 1.59 -0.84 0.04 0.00 0.00 177.00 177.58 2hw0 h ILE 37 N 5.46 1.31 0.00 0.56 3.07 -1.92 -2.64 117.51 123.35 2hw0 h ILE 37 Ca -0.35 -1.63 0.00 0.00 1.55 0.00 0.00 64.86 64.43 2hw0 h ILE 37 Cb 1.16 1.64 0.00 0.00 -0.27 0.00 0.00 36.82 39.34 2hw0 h ILE 37 CO 0.95 0.51 0.00 0.28 -1.05 0.00 0.00 178.15 178.84 2hw0 h SER 38 N 0.41 0.00 1.07 2.16 0.02 -2.00 -1.91 113.55 113.30 2hw0 h SER 38 Ca 0.03 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.79 2hw0 h SER 38 Cb 0.94 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.45 2hw0 h SER 38 CO 0.08 0.00 -0.94 0.25 -1.14 0.00 0.00 176.83 175.08 2hw0 h LEU 39 N 0.00 0.00 -7.91 5.07 6.46 -1.87 -3.44 115.31 113.63 2hw0 h LEU 39 Ca 0.00 0.00 -0.61 0.00 -0.12 0.00 0.00 57.88 57.15 2hw0 h LEU 39 Cb 0.23 0.00 -0.36 0.00 -0.73 0.00 0.00 40.66 39.80 2hw0 h LEU 39 CO 0.00 0.88 -0.84 -0.36 -0.62 0.00 0.00 178.44 177.50 2hw0 s PHE 40 N -2.77 2.24 0.60 1.25 0.40 -0.72 -1.94 117.98 117.04 2hw0 s PHE 40 Ca 0.01 -1.27 0.30 0.00 -0.60 0.00 0.00 56.93 55.37 2hw0 s PHE 40 Cb 0.09 -1.63 1.75 0.00 0.51 0.00 0.00 43.02 43.74 2hw0 s PHE 40 CO 0.80 -0.69 2.15 0.22 0.70 0.00 0.00 175.22 178.41 2hw0 h ASP 41 N 8.04 0.00 -3.06 1.36 1.82 -1.60 -3.40 116.42 119.58 2hw0 h ASP 41 Ca -0.39 0.00 -0.21 0.00 -0.39 0.00 0.00 57.03 56.04 2hw0 h ASP 41 Cb 1.14 0.00 -0.32 0.00 0.68 0.00 0.00 39.33 40.83 2hw0 h ASP 41 CO 0.54 0.00 -0.52 -0.47 -1.61 0.00 0.00 179.24 177.18 2hw0 s TYR 42 N -4.59 -0.38 -0.15 0.28 5.04 -1.25 -0.42 117.35 115.89 2hw0 s TYR 42 Ca -0.05 0.89 -0.02 0.00 -2.44 0.00 0.00 57.07 55.45 2hw0 s TYR 42 Cb 0.15 -0.01 0.05 0.00 0.35 0.00 0.00 41.96 42.49 2hw0 s TYR 42 CO 0.53 -0.30 0.01 0.12 -1.34 0.00 0.00 175.55 174.56 2hw0 s PHE 43 N 1.97 1.03 -0.03 4.97 2.19 -0.99 -0.15 117.98 126.97 2hw0 s PHE 43 Ca -0.03 -0.66 -0.00 0.00 0.33 0.00 0.00 56.93 56.57 2hw0 s PHE 43 Cb -0.11 -1.00 0.03 0.00 -1.31 0.00 0.00 43.02 40.62 2hw0 s PHE 43 CO -0.08 -0.52 0.01 -1.50 1.83 0.00 0.00 175.22 174.96 2hw0 s ILE 44 N 1.86 0.12 0.06 3.12 2.07 -0.51 -1.06 121.20 126.86 2hw0 s ILE 44 Ca 0.01 0.16 0.03 0.00 -1.41 0.00 0.00 60.65 59.44 2hw0 s ILE 44 Cb -0.15 -0.25 -0.03 0.00 0.13 0.00 0.00 42.46 42.16 2hw0 s ILE 44 CO -0.07 0.15 -0.09 -0.69 -1.91 0.00 0.00 174.94 172.33 2hw0 s VAL 45 N 1.29 0.74 -0.10 4.00 1.01 -0.93 0.15 120.40 126.55 2hw0 s VAL 45 Ca -0.06 -1.33 -0.09 0.00 0.00 0.00 0.00 61.98 60.50 2hw0 s VAL 45 Cb -0.13 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.31 2hw0 s VAL 45 CO -0.02 -0.45 0.27 -0.83 0.00 0.00 0.00 175.10 174.07 2hw0 s GLY 46 N -1.95 -0.20 -0.12 4.51 0.00 -0.66 -2.20 107.32 106.70 2hw0 s GLY 46 Ca -0.03 0.79 -0.02 0.00 0.00 0.00 0.00 44.72 45.46 2hw0 s GLY 46 CO 0.00 0.72 -0.04 1.85 0.00 0.00 0.00 173.10 175.63 2hw0 s GLU 47 N 0.25 3.34 -0.28 2.90 2.12 -1.01 -2.33 118.70 123.69 2hw0 s GLU 47 Ca -0.01 -0.51 -0.01 0.00 0.36 0.00 0.00 54.97 54.80 2hw0 s GLU 47 Cb -0.03 -2.82 0.04 0.00 0.26 0.00 0.00 34.13 31.59 2hw0 s GLU 47 CO -0.01 0.42 -0.03 -2.00 -0.54 0.00 0.00 175.26 173.11 2hw0 s GLU 48 N -0.13 2.54 -0.36 4.30 2.12 -1.16 -4.29 118.70 121.72 2hw0 s GLU 48 Ca 0.03 -1.18 0.14 0.00 0.36 0.00 0.00 54.97 54.32 2hw0 s GLU 48 Cb -0.13 -3.09 0.41 0.00 0.26 0.00 0.00 34.13 31.58 2hw0 s GLU 48 CO 0.02 -0.54 0.93 0.41 -0.54 0.00 0.00 175.26 175.55 2hw0 n GLY 49 N 4.62 2.11 1.00 -1.50 0.00 -1.26 -3.22 105.19 106.94 2hw0 n GLY 49 Ca -0.14 -1.20 0.01 0.00 0.00 0.00 0.00 46.02 44.68 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 0.02 2.14 -3.76 1.61 4.05 -1.26 -4.96 115.26 113.10 2hw0 n ASN 50 Ca 0.13 -3.60 -0.29 0.00 0.45 0.00 0.00 54.58 51.27 2hw0 n ASN 50 Cb 0.76 -0.47 -0.16 0.00 1.23 0.00 0.00 39.78 41.14 2hw0 n ASN 50 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 2hw0 s GLU 51 N -2.93 0.81 0.56 1.20 2.12 -1.26 -5.12 118.70 114.08 2hw0 s GLU 51 Ca 0.39 -0.69 -0.21 0.00 0.36 0.00 0.00 54.97 54.82 2hw0 s GLU 51 Cb 0.38 -2.14 -0.04 0.00 0.26 0.00 0.00 34.13 32.59 2hw0 s GLU 51 CO -0.06 -0.74 1.36 -2.00 -0.54 0.00 0.00 175.26 173.28 2hw0 s GLU 52 N 1.73 3.06 0.00 4.30 2.12 -1.26 -2.53 118.70 126.11 2hw0 s GLU 52 Ca 0.01 2.23 0.00 0.00 0.36 0.00 0.00 54.97 57.57 2hw0 s GLU 52 Cb -0.17 -2.21 0.00 0.00 0.26 0.00 0.00 34.13 32.01 2hw0 s GLU 52 CO -0.13 -1.25 0.00 0.41 -0.54 0.00 0.00 175.26 173.75 2hw0 n GLY 53 N 0.75 3.29 3.50 -1.50 0.00 -1.26 -5.02 105.19 104.95 2hw0 n GLY 53 Ca 0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.59 1.78 0.33 1.61 3.52 -1.05 -5.15 118.95 119.39 2hw0 s ARG 54 Ca 0.00 -1.64 0.01 0.00 -0.13 0.00 0.00 55.73 53.97 2hw0 s ARG 54 Cb 0.00 -1.87 -0.03 0.00 -1.56 0.00 0.00 34.95 31.48 2hw0 s ARG 54 CO 0.00 0.35 0.52 0.95 -0.81 0.00 0.00 175.30 176.31 2hw0 s THR 55 N -2.29 5.12 0.10 4.11 -4.23 -1.26 -4.84 115.64 112.35 2hw0 s THR 55 Ca 0.28 -0.50 -0.31 0.00 -1.18 0.00 0.00 61.69 59.99 2hw0 s THR 55 Cb -0.06 -3.85 -0.07 0.00 1.34 0.00 0.00 72.50 69.85 2hw0 s THR 55 CO 0.15 -0.51 1.37 -2.16 -0.54 0.00 0.00 174.62 172.94 2hw0 s PRO 56 N -4.20 4.33 -0.03 3.99 0.04 -1.26 -4.76 135.00 133.10 2hw0 s PRO 56 Ca 0.39 2.03 0.04 0.00 0.04 0.00 0.00 61.00 63.50 2hw0 s PRO 56 Cb -0.10 -3.30 -0.03 0.00 0.04 0.00 0.00 34.50 31.12 2hw0 s PRO 56 CO 0.35 -0.44 -0.13 -1.58 0.04 0.00 0.00 177.00 175.24 2hw0 s HIS 57 N 1.26 2.74 -0.35 0.56 2.46 -1.20 -0.10 115.29 120.66 2hw0 s HIS 57 Ca 0.64 -0.13 -0.14 0.00 0.47 0.00 0.00 55.06 55.90 2hw0 s HIS 57 Cb -0.35 -1.61 -0.01 0.00 -0.13 0.00 0.00 32.58 30.48 2hw0 s HIS 57 CO 0.30 0.25 0.29 -1.17 -2.47 0.00 0.00 174.74 171.93 2hw0 s LEU 58 N -0.98 4.57 -0.21 8.88 0.20 -0.10 -3.00 118.68 128.04 2hw0 s LEU 58 Ca 0.13 -0.42 0.00 0.00 0.69 0.00 0.00 54.13 54.53 2hw0 s LEU 58 Cb -0.11 -2.21 0.05 0.00 -0.43 0.00 0.00 46.19 43.50 2hw0 s LEU 58 CO 0.03 -0.30 -0.05 -1.58 -0.29 0.00 0.00 176.35 174.15 2hw0 s GLN 59 N 1.82 1.57 0.06 1.98 2.00 -0.98 -1.86 119.66 124.25 2hw0 s GLN 59 Ca 0.08 -0.84 -0.05 0.00 -2.00 0.00 0.00 55.36 52.55 2hw0 s GLN 59 Cb -0.17 -2.42 -0.02 0.00 0.80 0.00 0.00 33.01 31.20 2hw0 s GLN 59 CO 0.11 -0.55 0.08 0.20 -0.50 0.00 0.00 175.29 174.64 2hw0 s GLY 60 N 1.48 0.25 -0.01 2.59 0.00 -1.08 -1.65 107.32 108.90 2hw0 s GLY 60 Ca -0.04 -0.82 0.06 0.00 0.00 0.00 0.00 44.72 43.92 2hw0 s GLY 60 CO -0.07 -0.97 -0.21 -0.12 0.00 0.00 0.00 173.10 171.74 2hw0 s PHE 61 N -3.57 1.83 -0.01 1.90 5.36 0.12 -2.11 117.98 121.51 2hw0 s PHE 61 Ca 0.03 -0.35 0.02 0.00 -0.96 0.00 0.00 56.93 55.67 2hw0 s PHE 61 Cb 0.05 -1.17 -0.00 0.00 -0.34 0.00 0.00 43.02 41.55 2hw0 s PHE 61 CO -0.09 -0.02 -0.07 0.00 -1.46 0.00 0.00 175.22 173.58 2hw0 s ALA 62 N -0.52 0.60 -0.32 11.12 0.00 -0.98 -1.42 121.76 130.24 2hw0 s ALA 62 Ca 0.08 -0.30 -0.10 0.00 0.00 0.00 0.00 51.96 51.64 2hw0 s ALA 62 Cb -0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 23.12 22.88 2hw0 s ALA 62 CO -0.00 0.14 0.16 -0.80 0.00 0.00 0.00 175.76 175.26 2hw0 s ASN 63 N -0.13 5.59 0.06 0.00 0.01 0.79 -2.36 114.94 118.90 2hw0 s ASN 63 Ca 0.02 -0.60 -0.31 0.00 -0.71 0.00 0.00 52.86 51.27 2hw0 s ASN 63 Cb -0.03 -2.01 -0.06 0.00 0.41 0.00 0.00 41.25 39.55 2hw0 s ASN 63 CO -0.00 -0.23 1.34 -0.36 -1.51 0.00 0.00 177.10 176.34 2hw0 s PHE 64 N 1.61 3.17 0.58 2.20 0.08 0.98 -2.05 117.98 124.55 2hw0 s PHE 64 Ca 0.04 1.01 0.32 0.00 0.12 0.00 0.00 56.93 58.42 2hw0 s PHE 64 Cb -0.17 -3.60 1.88 0.00 -0.57 0.00 0.00 43.02 40.56 2hw0 s PHE 64 CO 0.06 -2.09 2.26 0.28 -0.10 0.00 0.00 175.22 175.63 2hw0 h VAL 65 N 4.55 0.45 -4.18 -0.44 2.07 -1.67 -3.42 116.25 113.62 2hw0 h VAL 65 Ca -0.40 -0.05 -0.30 0.00 0.82 0.00 0.00 66.70 66.77 2hw0 h VAL 65 Cb 1.20 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 2hw0 h VAL 65 CO 0.86 0.01 -0.23 2.29 0.02 0.00 0.00 177.57 180.52 2hw0 n LYS 66 N -3.72 1.02 -3.05 1.57 0.00 -1.26 -5.01 118.16 107.71 2hw0 n LYS 66 Ca -0.03 -1.77 -0.40 0.00 -0.00 0.00 0.00 58.31 56.11 2hw0 n LYS 66 Cb 0.09 0.75 -0.05 0.00 -0.00 0.00 0.00 35.03 35.82 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 -2.83 4.27 0.06 -1.58 -0.14 -1.26 -4.21 119.74 114.05 2hw0 s LYS 67 Ca 0.06 0.76 0.03 0.00 -1.36 0.00 0.00 55.97 55.46 2hw0 s LYS 67 Cb 0.00 -3.55 -0.03 0.00 -1.68 0.00 0.00 37.83 32.57 2hw0 s LYS 67 CO 0.04 -0.21 -0.08 -0.65 -0.76 0.00 0.00 175.35 173.69 2hw0 s GLN 68 N 1.78 0.65 0.55 1.68 -1.52 -0.93 -4.87 119.66 117.00 2hw0 s GLN 68 Ca 0.33 -0.93 0.02 0.00 -1.95 0.00 0.00 55.36 52.83 2hw0 s GLN 68 Cb -0.16 -0.35 0.04 0.00 -0.22 0.00 0.00 33.01 32.32 2hw0 s GLN 68 CO 0.12 0.05 0.77 0.95 -0.25 0.00 0.00 175.29 176.94 2hw0 s THR 69 N -1.92 2.63 0.06 -0.19 -4.23 -1.26 -1.32 115.64 109.40 2hw0 s THR 69 Ca -0.03 -0.71 -0.28 0.00 -1.18 0.00 0.00 61.69 59.48 2hw0 s THR 69 Cb -0.06 -2.92 -0.17 0.00 1.34 0.00 0.00 72.50 70.69 2hw0 s THR 69 CO -0.00 0.00 1.56 0.15 -0.54 0.00 0.00 174.62 175.78 2hw0 h PHE 70 N 0.08 -0.51 -0.74 3.99 3.57 -1.98 0.32 116.94 121.66 2hw0 h PHE 70 Ca -0.41 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.08 2hw0 h PHE 70 Cb 1.29 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 40.17 2hw0 h PHE 70 CO 0.31 -0.27 0.45 -0.91 -2.23 0.00 0.00 178.31 175.66 2hw0 h ASN 71 N -0.64 0.89 -0.08 0.41 4.21 -2.00 -2.61 115.58 115.76 2hw0 h ASN 71 Ca -0.06 -0.06 -0.01 0.00 1.21 0.00 0.00 56.30 57.38 2hw0 h ASN 71 Cb 0.47 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 37.45 2hw0 h ASN 71 CO 0.09 0.69 0.02 0.50 -1.29 0.00 0.00 177.43 177.44 2hw0 h LYS 72 N 1.01 0.12 -0.38 0.81 3.11 -1.93 -2.57 116.57 116.74 2hw0 h LYS 72 Ca 0.27 -0.03 0.11 0.00 -2.81 0.00 0.00 60.65 58.19 2hw0 h LYS 72 Cb -0.04 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.16 2hw0 h LYS 72 CO -0.05 0.31 0.40 0.28 -2.81 0.00 0.00 179.45 177.58 2hw0 h VAL 73 N -0.08 0.42 0.00 2.00 2.07 -0.16 0.34 116.25 120.84 2hw0 h VAL 73 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2hw0 h VAL 73 Cb 0.24 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 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 -3.79 0.07 0.28 1.57 5.02 -0.97 -1.64 118.16 118.70 2hw0 n LYS 74 Ca 0.07 0.46 0.17 0.00 -2.02 0.00 0.00 58.31 56.98 2hw0 n LYS 74 Cb 0.57 -1.67 0.71 0.00 -0.02 0.00 0.00 35.03 34.62 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 -0.44 0.17 115.95 122.89 2hw0 h TRP 75 Ca 0.00 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.83 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 0.01 -1.41 0.66 -1.28 0.00 0.00 178.44 176.42 2hw0 n TYR 76 N -3.11 0.00 0.58 0.12 4.01 -0.65 -4.62 117.16 113.49 2hw0 n TYR 76 Ca 0.00 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.85 2hw0 n TYR 76 Cb 0.30 -0.31 0.43 0.00 -0.31 0.00 0.00 39.34 39.44 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 -3.44 0.29 -0.96 7.72 4.77 -0.91 -4.94 117.00 119.52 2hw0 n LEU 77 Ca -0.17 0.56 0.06 0.00 -0.03 0.00 0.00 56.01 56.42 2hw0 n LEU 77 Cb 0.59 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.15 2hw0 n LEU 77 CO 0.01 -0.28 -0.37 0.61 -1.33 0.00 0.00 177.39 176.04 2hw0 n GLY 78 N 0.45 -3.36 0.13 -0.72 0.00 0.05 -4.15 105.19 97.59 2hw0 n GLY 78 Ca 0.04 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.42 0.78 -0.91 4.61 0.00 -1.95 -3.22 119.26 118.14 2hw0 h ALA 79 Ca -0.07 -0.56 0.13 0.00 0.00 0.00 0.00 54.91 54.42 2hw0 h ALA 79 Cb 0.76 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 2hw0 h ALA 79 CO 0.03 0.77 0.52 0.00 0.00 0.00 0.00 179.25 180.57 2hw0 h ARG 80 N 0.00 0.76 -5.68 0.00 2.47 -1.95 -3.39 114.38 106.59 2hw0 h ARG 80 Ca -0.01 -0.05 -0.58 0.00 -1.26 0.00 0.00 59.98 58.09 2hw0 h ARG 80 Cb 1.25 -0.17 -0.08 0.00 -1.65 0.00 0.00 29.97 29.31 2hw0 h ARG 80 CO 0.08 0.50 -0.20 0.00 0.56 0.00 0.00 179.97 180.91 2hw0 s HIS 82 N 0.42 3.08 0.09 0.00 2.46 -0.79 -4.81 115.29 115.75 2hw0 s HIS 82 Ca 0.23 1.04 0.08 0.00 0.47 0.00 0.00 55.06 56.88 2hw0 s HIS 82 Cb -0.15 -3.54 -0.04 0.00 -0.13 0.00 0.00 32.58 28.73 2hw0 s HIS 82 CO 0.09 -1.84 -0.14 0.96 -2.47 0.00 0.00 174.74 171.33 2hw0 s ILE 83 N 2.07 3.09 0.16 0.89 -4.36 -1.26 0.00 121.20 121.79 2hw0 s ILE 83 Ca 0.60 -1.31 -0.11 0.00 -0.26 0.00 0.00 60.65 59.57 2hw0 s ILE 83 Cb -0.29 -2.40 0.00 0.00 1.25 0.00 0.00 42.46 41.02 2hw0 s ILE 83 CO 0.25 0.16 0.32 -0.70 0.24 0.00 0.00 174.94 175.21 2hw0 s GLU 84 N -2.00 1.15 0.14 0.37 2.12 -0.28 -4.97 118.70 115.23 2hw0 s GLU 84 Ca 0.19 -1.08 -0.30 0.00 0.36 0.00 0.00 54.97 54.14 2hw0 s GLU 84 Cb -0.11 0.40 -0.07 0.00 0.26 0.00 0.00 34.13 34.61 2hw0 s GLU 84 CO 0.10 -0.43 1.11 0.15 -0.54 0.00 0.00 175.26 175.65 2hw0 s LYS 85 N -3.93 4.56 0.33 4.30 1.02 -1.26 -0.21 119.74 124.54 2hw0 s LYS 85 Ca 0.14 1.70 -0.01 0.00 0.02 0.00 0.00 55.97 57.81 2hw0 s LYS 85 Cb 0.03 -3.31 -0.04 0.00 -0.52 0.00 0.00 37.83 33.99 2hw0 s LYS 85 CO -0.02 0.00 0.56 0.00 -0.92 0.00 0.00 175.35 174.97 2hw0 s ALA 86 N 0.13 3.66 -0.02 5.17 0.00 -1.26 -4.84 121.76 124.60 2hw0 s ALA 86 Ca 0.51 -0.78 -0.03 0.00 0.00 0.00 0.00 51.96 51.66 2hw0 s ALA 86 Cb -0.29 -2.19 0.00 0.00 0.00 0.00 0.00 23.12 20.65 2hw0 s ALA 86 CO 0.33 0.06 0.08 -1.59 0.00 0.00 0.00 175.76 174.63 2hw0 s LYS 87 N -4.07 0.19 0.00 0.00 -2.85 -1.26 -4.94 119.74 106.81 2hw0 s LYS 87 Ca 0.41 -0.06 0.00 0.00 -1.00 0.00 0.00 55.97 55.32 2hw0 s LYS 87 Cb -0.10 0.08 0.00 0.00 -2.06 0.00 0.00 37.83 35.75 2hw0 s LYS 87 CO 0.35 -0.03 0.00 0.41 0.10 0.00 0.00 175.35 176.17 2hw0 n GLY 88 N 2.59 0.19 3.90 0.59 0.00 -1.26 -4.85 105.19 106.35 2hw0 n GLY 88 Ca -0.16 -2.25 -0.23 0.00 0.00 0.00 0.00 46.02 43.39 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 2.24 0.37 2.61 -4.23 -1.26 -4.98 115.64 110.39 2hw0 s THR 89 Ca 0.00 -1.36 0.06 0.00 -1.18 0.00 0.00 61.69 59.21 2hw0 s THR 89 Cb 0.00 -2.60 0.29 0.00 1.34 0.00 0.00 72.50 71.53 2hw0 s THR 89 CO 0.00 0.00 1.98 -2.24 -0.54 0.00 0.00 174.62 173.82 2hw0 h ASP 90 N 0.83 0.64 -0.05 3.99 2.03 -1.97 -1.29 116.42 120.61 2hw0 h ASP 90 Ca -0.38 -0.00 -0.13 0.00 -0.73 0.00 0.00 57.03 55.79 2hw0 h ASP 90 Cb 1.28 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 39.63 2hw0 h ASP 90 CO 0.55 0.43 -0.39 1.56 -1.03 0.00 0.00 179.24 180.36 2hw0 h GLN 91 N 0.74 0.56 -0.48 4.15 1.08 -1.95 0.27 115.11 119.47 2hw0 h GLN 91 Ca 0.28 -0.28 -0.10 0.00 -1.45 0.00 0.00 58.65 57.10 2hw0 h GLN 91 Cb 0.17 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.58 2hw0 h GLN 91 CO -0.08 0.86 -0.11 1.96 -0.95 0.00 0.00 178.83 180.51 2hw0 h GLN 92 N 0.46 0.92 0.15 1.46 4.20 -1.65 -1.50 115.11 119.16 2hw0 h GLN 92 Ca 0.04 -0.35 -0.29 0.00 0.06 0.00 0.00 58.65 58.11 2hw0 h GLN 92 Cb 0.88 -0.06 0.02 0.00 0.30 0.00 0.00 27.48 28.62 2hw0 h GLN 92 CO 0.08 1.00 -1.28 -0.91 -0.67 0.00 0.00 178.83 177.05 2hw0 h ASN 93 N 0.77 0.63 -0.24 1.46 -0.26 -1.27 -2.34 115.58 114.34 2hw0 h ASN 93 Ca 0.12 -0.64 -0.00 0.00 -0.56 0.00 0.00 56.30 55.22 2hw0 h ASN 93 Cb 0.66 -0.20 -0.01 0.00 -1.06 0.00 0.00 38.32 37.70 2hw0 h ASN 93 CO 0.05 1.48 0.13 0.50 -1.06 0.00 0.00 177.43 178.53 2hw0 h LYS 94 N 0.15 0.33 -0.16 0.81 3.64 -0.43 -2.16 116.57 118.74 2hw0 h LYS 94 Ca -0.17 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.01 2hw0 h LYS 94 Cb 1.98 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.72 2hw0 h LYS 94 CO 0.23 0.30 -0.56 0.93 -2.27 0.00 0.00 179.45 178.08 2hw0 h GLU 95 N 0.27 0.50 -0.31 1.90 4.39 -1.38 -2.66 114.58 117.30 2hw0 h GLU 95 Ca 0.08 -0.32 0.04 0.00 0.34 0.00 0.00 59.36 59.51 2hw0 h GLU 95 Cb 0.07 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.72 2hw0 h GLU 95 CO -0.01 0.92 0.07 -0.92 -1.16 0.00 0.00 179.01 177.91 2hw0 h TYR 96 N 0.38 0.12 -0.21 4.33 5.03 -1.19 0.29 116.97 125.72 2hw0 h TYR 96 Ca 0.01 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.22 2hw0 h TYR 96 Cb 1.09 -0.01 -0.01 0.00 1.55 0.00 0.00 36.73 39.35 2hw0 h TYR 96 CO 0.04 0.04 -0.34 0.00 -1.32 0.00 0.00 178.16 176.58 2hw0 n SER 98 N -4.07 0.37 0.28 0.00 2.88 -0.79 -3.31 113.62 108.98 2hw0 n SER 98 Ca -0.01 0.55 0.18 0.00 -1.33 0.00 0.00 58.87 58.26 2hw0 n SER 98 Cb 0.46 -0.64 0.95 0.00 -0.75 0.00 0.00 64.21 64.22 2hw0 n SER 98 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 2hw0 h LYS 99 N 0.00 0.00 0.00 -1.46 2.10 0.04 0.27 116.57 117.52 2hw0 h LYS 99 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2hw0 h LYS 99 Cb 0.54 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.87 2hw0 h LYS 99 CO 0.00 0.00 0.00 0.93 -2.00 0.00 0.00 179.45 178.38 2hw0 h GLU 100 N 0.00 0.00 0.00 0.07 4.39 -1.74 -3.46 114.58 113.84 2hw0 h GLU 100 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.74 2hw0 h GLU 100 Cb 0.37 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2hw0 h GLU 100 CO -0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 2hw0 n GLY 101 N 0.30 1.63 2.84 -3.84 0.00 0.93 -4.83 105.19 102.22 2hw0 n GLY 101 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.30 1.43 -0.27 1.61 2.47 -1.26 -5.12 114.94 110.50 2hw0 s ASN 102 Ca 0.00 -0.14 -0.11 0.00 0.42 0.00 0.00 52.86 53.04 2hw0 s ASN 102 Cb 0.00 -0.51 -0.05 0.00 -1.45 0.00 0.00 41.25 39.24 2hw0 s ASN 102 CO 0.00 -0.13 0.18 -0.76 -3.72 0.00 0.00 177.10 172.68 2hw0 s LEU 103 N 1.51 4.03 -0.07 3.21 2.01 -1.26 -2.40 118.68 125.70 2hw0 s LEU 103 Ca -0.02 0.01 0.20 0.00 0.01 0.00 0.00 54.13 54.33 2hw0 s LEU 103 Cb -0.13 -2.12 -0.26 0.00 0.01 0.00 0.00 46.19 43.69 2hw0 s LEU 103 CO -0.03 -0.03 0.39 -0.11 1.01 0.00 0.00 176.35 177.58 2hw0 n LEU 104 N 4.93 0.16 -3.81 1.79 7.94 -1.05 -4.88 117.00 122.08 2hw0 n LEU 104 Ca -0.14 0.07 -0.13 0.00 -1.11 0.00 0.00 56.01 54.70 2hw0 n LEU 104 Cb 0.52 0.20 -0.14 0.00 0.53 0.00 0.00 43.42 44.53 2hw0 n LEU 104 CO 0.33 0.21 -0.29 -0.32 -1.11 0.00 0.00 177.39 176.22 2hw0 s MET 105 N -3.02 0.06 -0.24 1.96 1.75 -0.94 -4.99 119.30 113.88 2hw0 s MET 105 Ca -0.08 0.16 -0.03 0.00 -1.25 0.00 0.00 55.69 54.49 2hw0 s MET 105 Cb 0.10 -0.06 0.10 0.00 2.84 0.00 0.00 34.83 37.82 2hw0 s MET 105 CO 0.86 -0.07 0.20 -2.00 -0.65 0.00 0.00 175.02 173.36 2hw0 s GLU 106 N 0.44 0.21 0.35 4.11 2.12 -1.26 -2.19 118.70 122.47 2hw0 s GLU 106 Ca -0.03 -0.11 -0.11 0.00 0.36 0.00 0.00 54.97 55.08 2hw0 s GLU 106 Cb -0.05 -1.15 0.03 0.00 0.26 0.00 0.00 34.13 33.22 2hw0 s GLU 106 CO -0.02 -0.85 0.63 0.00 -0.54 0.00 0.00 175.26 174.48 2hw0 n GLY 108 N -0.52 -2.04 3.66 0.00 0.00 -1.26 -2.33 105.19 102.70 2hw0 n GLY 108 Ca -0.04 -1.29 -0.23 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.28 3.20 -0.13 4.61 0.00 0.45 -4.71 121.76 122.89 2hw0 s ALA 109 Ca 0.00 -1.64 -0.29 0.00 0.00 0.00 0.00 51.96 50.03 2hw0 s ALA 109 Cb 0.00 -0.81 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 2hw0 s ALA 109 CO 0.00 0.26 1.55 -1.25 0.00 0.00 0.00 175.76 176.33 2hw0 s PRO 110 N -3.69 4.07 0.63 0.00 0.04 -1.26 -4.24 135.00 130.55 2hw0 s PRO 110 Ca 0.32 1.90 -0.16 0.00 0.04 0.00 0.00 61.00 63.09 2hw0 s PRO 110 Cb -0.06 -3.95 -0.02 0.00 0.04 0.00 0.00 34.50 30.51 2hw0 s PRO 110 CO 0.20 -0.96 1.10 1.03 0.04 0.00 0.00 177.00 178.42 2hw0 s ARG 111 N 4.12 2.98 -0.26 4.56 1.81 -1.26 -5.04 118.95 125.86 2hw0 s ARG 111 Ca 0.68 1.40 -0.05 0.00 -1.72 0.00 0.00 55.73 56.04 2hw0 s ARG 111 Cb -0.28 -1.97 0.13 0.00 -0.45 0.00 0.00 34.95 32.38 2hw0 s ARG 111 CO 0.26 -1.11 0.50 -1.54 -0.68 0.00 0.00 175.30 172.73 2hw0 s SER 112 N -2.48 -0.59 0.01 0.23 1.04 -1.26 -4.17 113.70 106.49 2hw0 s SER 112 Ca 0.67 0.89 -0.13 0.00 0.48 0.00 0.00 55.95 57.86 2hw0 s SER 112 Cb -0.20 1.69 -0.07 0.00 0.10 0.00 0.00 66.02 67.53 2hw0 s SER 112 CO 0.38 -0.25 1.00 1.56 0.98 0.00 0.00 173.24 176.91 2hw0 h GLN 113 N 8.10 -0.45 0.00 4.02 1.08 -2.00 -3.50 115.11 122.36 2hw0 h GLN 113 Ca -0.19 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 57.04 2hw0 h GLN 113 Cb 1.13 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 2hw0 h GLN 113 CO 0.19 -0.30 0.00 0.41 -0.95 0.00 0.00 178.83 178.18 2hw0 n GLY 114 N -0.66 -1.04 2.00 3.46 0.00 -1.26 -5.02 105.19 102.67 2hw0 n GLY 114 Ca -0.06 0.38 0.00 0.00 0.00 0.00 0.00 46.02 46.34 2hw0 n GLY 114 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2hw0 n GLN 115 N 0.00 0.00 0.00 1.61 3.00 -1.26 -5.31 117.38 115.42 2hw0 n GLN 115 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2hw0 n GLN 115 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 2hw0 n GLN 115 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95