#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 -6.50 -1.23 3.54 7.64 -1.26 -5.01 113.62 110.80 2hw0 n SER 3 Ca 0.00 0.83 0.17 0.00 1.01 0.00 0.00 58.87 60.87 2hw0 n SER 3 Cb 0.00 -2.33 -0.05 0.00 -1.01 0.00 0.00 64.21 60.83 2hw0 n SER 3 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2hw0 n LYS 4 N -2.99 -2.52 -3.73 1.43 5.02 -1.26 -4.94 118.16 109.17 2hw0 n LYS 4 Ca 0.01 1.72 -0.14 0.00 -2.02 0.00 0.00 58.31 57.87 2hw0 n LYS 4 Cb 0.35 -3.06 -0.14 0.00 -0.02 0.00 0.00 35.03 32.15 2hw0 n LYS 4 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2hw0 s LYS 5 N -2.28 0.09 0.53 1.97 -0.14 -1.26 -5.15 119.74 113.49 2hw0 s LYS 5 Ca 0.00 0.43 -0.14 0.00 -1.36 0.00 0.00 55.97 54.90 2hw0 s LYS 5 Cb 0.00 -0.19 -0.07 0.00 -1.68 0.00 0.00 37.83 35.90 2hw0 s LYS 5 CO 0.00 -0.19 0.97 -0.80 -0.76 0.00 0.00 175.35 174.57 2hw0 s ASN 6 N 1.40 6.51 -0.04 2.83 0.01 -1.26 -5.08 114.94 119.31 2hw0 s ASN 6 Ca -0.07 1.47 0.00 0.00 -0.71 0.00 0.00 52.86 53.55 2hw0 s ASN 6 Cb -0.12 -2.47 0.03 0.00 0.41 0.00 0.00 41.25 39.10 2hw0 s ASN 6 CO -0.06 -0.64 -0.01 -0.83 -1.51 0.00 0.00 177.10 174.05 2hw0 s GLY 7 N -3.38 0.30 -0.08 0.66 0.00 -1.26 -5.14 107.32 98.42 2hw0 s GLY 7 Ca 0.57 0.09 -0.21 0.00 0.00 0.00 0.00 44.72 45.18 2hw0 s GLY 7 CO 0.37 0.66 0.48 0.50 0.00 0.00 0.00 173.10 175.12 2hw0 s ARG 8 N 1.15 0.77 0.00 2.90 0.52 -1.26 -5.10 118.95 117.93 2hw0 s ARG 8 Ca -0.08 0.22 0.00 0.00 -0.52 0.00 0.00 55.73 55.35 2hw0 s ARG 8 Cb -0.13 0.36 0.00 0.00 0.52 0.00 0.00 34.95 35.69 2hw0 s ARG 8 CO -0.02 -0.19 0.00 0.45 0.02 0.00 0.00 175.30 175.56 2hw0 n SER 9 N 1.62 0.00 0.00 0.23 2.88 -1.26 -5.13 113.62 111.97 2hw0 n SER 9 Ca -0.18 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.36 2hw0 n SER 9 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 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 3.29 -1.93 3.77 0.46 0.00 -1.26 -5.14 105.19 104.38 2hw0 n GLY 10 Ca 0.00 0.53 -0.36 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.87 3.63 0.17 1.61 0.04 -1.26 -5.06 135.00 133.26 2hw0 s PRO 11 Ca 0.00 1.72 0.10 0.00 0.04 0.00 0.00 61.00 62.86 2hw0 s PRO 11 Cb 0.00 -2.28 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 2hw0 s PRO 11 CO 0.00 -0.64 -0.21 -0.65 0.04 0.00 0.00 177.00 175.53 2hw0 s GLN 12 N -2.88 1.35 0.50 4.56 1.11 -1.26 -5.07 119.66 117.97 2hw0 s GLN 12 Ca 0.66 -1.42 -0.21 0.00 0.01 0.00 0.00 55.36 54.41 2hw0 s GLN 12 Cb -0.27 -1.56 -0.07 0.00 -1.01 0.00 0.00 33.01 30.11 2hw0 s GLN 12 CO 0.32 0.33 1.14 -1.25 0.01 0.00 0.00 175.29 175.85 2hw0 s PRO 13 N -2.59 3.55 0.35 2.91 0.04 -1.26 -4.89 135.00 133.09 2hw0 s PRO 13 Ca 0.16 1.68 0.06 0.00 0.04 0.00 0.00 61.00 62.95 2hw0 s PRO 13 Cb -0.07 -2.19 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 2hw0 s PRO 13 CO 0.07 -0.71 0.23 -1.01 0.04 0.00 0.00 177.00 175.63 2hw0 s HIS 14 N -1.67 1.73 -0.52 0.56 3.76 -0.53 -4.73 115.29 113.90 2hw0 s HIS 14 Ca 0.68 -1.55 0.16 0.00 -0.15 0.00 0.00 55.06 54.20 2hw0 s HIS 14 Cb -0.26 -0.83 0.68 0.00 1.11 0.00 0.00 32.58 33.28 2hw0 s HIS 14 CO 0.30 -0.70 1.59 0.36 -0.85 0.00 0.00 174.74 175.44 2hw0 n LYS 15 N -0.69 3.88 -3.74 1.40 0.00 -1.26 -2.36 118.16 115.40 2hw0 n LYS 15 Ca 0.03 -2.92 -0.19 0.00 -0.00 0.00 0.00 58.31 55.24 2hw0 n LYS 15 Cb 0.63 -1.97 -0.17 0.00 -0.00 0.00 0.00 35.03 33.52 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 -2.41 0.04 -0.11 -1.58 0.52 -1.26 -0.02 118.95 114.13 2hw0 s ARG 16 Ca 0.48 0.27 -0.08 0.00 -0.52 0.00 0.00 55.73 55.88 2hw0 s ARG 16 Cb 0.35 -0.48 0.04 0.00 0.52 0.00 0.00 34.95 35.38 2hw0 s ARG 16 CO 0.16 -0.26 0.28 -1.58 0.02 0.00 0.00 175.30 173.92 2hw0 s TRP 17 N 1.71 -0.34 0.28 -0.53 0.52 -0.99 -4.17 118.94 115.43 2hw0 s TRP 17 Ca -0.01 0.81 0.08 0.00 0.02 0.00 0.00 56.10 57.01 2hw0 s TRP 17 Cb -0.12 0.10 -0.04 0.00 -1.15 0.00 0.00 33.47 32.26 2hw0 s TRP 17 CO -0.03 -0.20 0.10 0.14 0.02 0.00 0.00 176.95 176.99 2hw0 s VAL 18 N 0.66 3.71 0.02 4.03 -7.23 0.74 -2.01 120.40 120.32 2hw0 s VAL 18 Ca -0.04 -1.68 0.03 0.00 -1.81 0.00 0.00 61.98 58.48 2hw0 s VAL 18 Cb -0.05 -3.07 -0.02 0.00 0.56 0.00 0.00 36.38 33.80 2hw0 s VAL 18 CO -0.04 -0.32 -0.08 0.72 -0.31 0.00 0.00 175.10 175.06 2hw0 s PHE 19 N -2.28 0.74 -0.14 2.82 -0.71 -0.88 -1.58 117.98 115.95 2hw0 s PHE 19 Ca 0.34 -0.30 -0.07 0.00 -1.04 0.00 0.00 56.93 55.85 2hw0 s PHE 19 Cb -0.06 -0.45 0.06 0.00 -1.21 0.00 0.00 43.02 41.35 2hw0 s PHE 19 CO 0.22 -0.03 0.33 0.95 -1.34 0.00 0.00 175.22 175.36 2hw0 s THR 20 N -0.76 -0.11 -0.01 -4.49 -4.23 0.87 -2.58 115.64 104.33 2hw0 s THR 20 Ca -0.02 0.14 -0.01 0.00 -1.18 0.00 0.00 61.69 60.62 2hw0 s THR 20 Cb -0.06 -0.50 0.01 0.00 1.34 0.00 0.00 72.50 73.29 2hw0 s THR 20 CO 0.00 0.06 0.03 -0.22 -0.54 0.00 0.00 174.62 173.95 2hw0 s LEU 21 N 1.52 1.66 0.02 4.79 2.96 -0.83 -0.99 118.68 127.82 2hw0 s LEU 21 Ca -0.08 0.05 -0.25 0.00 -0.22 0.00 0.00 54.13 53.63 2hw0 s LEU 21 Cb -0.10 0.04 -0.05 0.00 0.50 0.00 0.00 46.19 46.58 2hw0 s LEU 21 CO -0.11 -0.04 0.76 0.54 -1.32 0.00 0.00 176.35 176.18 2hw0 s ASN 22 N 0.33 7.17 -0.88 3.68 4.22 -1.26 -1.06 114.94 127.14 2hw0 s ASN 22 Ca -0.03 1.40 -0.05 0.00 -2.14 0.00 0.00 52.86 52.04 2hw0 s ASN 22 Cb -0.04 -2.46 -0.01 0.00 1.28 0.00 0.00 41.25 40.03 2hw0 s ASN 22 CO -0.01 -0.03 0.70 -3.20 -2.04 0.00 0.00 177.10 172.53 2hw0 n ASN 23 N 3.07 -6.27 -4.77 3.54 4.05 0.88 -4.93 115.26 110.82 2hw0 n ASN 23 Ca -0.02 -0.60 -0.37 0.00 0.45 0.00 0.00 54.58 54.05 2hw0 n ASN 23 Cb 0.50 -3.75 -0.01 0.00 1.23 0.00 0.00 39.78 37.76 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 -4.36 3.71 0.44 1.20 0.04 -1.26 -5.02 135.00 129.74 2hw0 s PRO 24 Ca 0.14 1.75 -0.01 0.00 0.04 0.00 0.00 61.00 62.92 2hw0 s PRO 24 Cb -0.04 -2.35 -0.02 0.00 0.04 0.00 0.00 34.50 32.13 2hw0 s PRO 24 CO 0.82 -0.59 0.67 -1.12 0.04 0.00 0.00 177.00 176.82 2hw0 s SER 25 N -1.42 6.02 0.48 6.66 0.01 -1.26 -4.94 113.70 119.26 2hw0 s SER 25 Ca 0.65 0.48 0.15 0.00 1.31 0.00 0.00 55.95 58.53 2hw0 s SER 25 Cb -0.28 -1.81 1.12 0.00 0.21 0.00 0.00 66.02 65.26 2hw0 s SER 25 CO 0.34 -0.59 2.06 -0.33 0.41 0.00 0.00 173.24 175.13 2hw0 h GLU 26 N 0.43 0.00 0.06 12.44 5.08 -1.99 -1.33 114.58 129.27 2hw0 h GLU 26 Ca -0.47 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 57.68 2hw0 h GLU 26 Cb 1.23 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.50 2hw0 h GLU 26 CO 0.59 0.10 -0.85 0.22 -1.00 0.00 0.00 179.01 178.07 2hw0 h ASP 27 N 0.00 0.64 -0.08 1.42 1.82 -1.98 -2.41 116.42 115.83 2hw0 h ASP 27 Ca -0.00 -0.82 -0.00 0.00 -0.39 0.00 0.00 57.03 55.82 2hw0 h ASP 27 Cb 0.18 -0.20 -0.00 0.00 0.68 0.00 0.00 39.33 39.98 2hw0 h ASP 27 CO 0.01 1.39 0.04 -0.08 -1.61 0.00 0.00 179.24 178.99 2hw0 h GLU 28 N -0.02 0.11 -0.07 0.28 4.81 -1.85 -0.77 114.58 117.07 2hw0 h GLU 28 Ca -0.12 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.03 2hw0 h GLU 28 Cb 1.57 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.92 2hw0 h GLU 28 CO 0.16 0.18 -0.25 0.00 -0.73 0.00 0.00 179.01 178.38 2hw0 h ARG 29 N 0.01 0.12 -0.33 1.92 3.08 -1.37 -2.51 114.38 115.31 2hw0 h ARG 29 Ca 0.03 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.91 2hw0 h ARG 29 Cb 0.11 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2hw0 h ARG 29 CO -0.00 0.37 -0.29 0.87 -1.07 0.00 0.00 179.97 179.85 2hw0 h LYS 30 N 0.11 0.77 0.19 0.04 1.57 -1.07 -0.13 116.57 118.05 2hw0 h LYS 30 Ca 0.02 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.40 2hw0 h LYS 30 Cb 0.51 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.83 2hw0 h LYS 30 CO 0.04 1.02 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.63 2hw0 h LYS 31 N 0.54 -0.24 -0.66 3.15 3.11 -0.89 0.27 116.57 121.85 2hw0 h LYS 31 Ca 0.06 0.02 -0.06 0.00 -2.81 0.00 0.00 60.65 57.85 2hw0 h LYS 31 Cb 0.86 0.06 -0.03 0.00 -1.00 0.00 0.00 32.23 32.12 2hw0 h LYS 31 CO 0.07 -0.07 0.18 0.82 -2.81 0.00 0.00 179.45 177.65 2hw0 h ILE 32 N -0.37 1.26 0.00 2.00 2.04 -1.50 -1.89 117.51 119.05 2hw0 h ILE 32 Ca -0.03 -0.92 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 2hw0 h ILE 32 Cb 0.29 0.59 -0.00 0.00 -0.74 0.00 0.00 36.82 36.95 2hw0 h ILE 32 CO 0.04 0.35 -0.08 -0.09 0.00 0.00 0.00 178.15 178.37 2hw0 h ARG 33 N 0.98 0.00 -0.59 2.37 2.43 -0.91 -2.43 114.38 116.24 2hw0 h ARG 33 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2hw0 h ARG 33 Cb 0.34 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 2hw0 h ARG 33 CO -0.00 0.08 0.00 -3.47 -1.51 0.00 0.00 179.97 175.07 2hw0 n ASP 34 N -3.21 3.45 -4.72 -3.80 2.03 0.94 -4.98 116.55 106.28 2hw0 n ASP 34 Ca 0.01 -1.99 -0.31 0.00 0.52 0.00 0.00 54.79 53.02 2hw0 n ASP 34 Cb 0.36 -0.39 0.13 0.00 -0.72 0.00 0.00 41.12 40.50 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 -1.12 2.85 -0.14 -2.67 1.43 -0.77 -4.93 118.68 113.34 2hw0 s LEU 35 Ca 0.43 1.96 -0.29 0.00 -1.03 0.00 0.00 54.13 55.20 2hw0 s LEU 35 Cb 0.23 -4.48 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 2hw0 s LEU 35 CO 0.30 -2.60 1.55 -2.16 0.23 0.00 0.00 176.35 173.67 2hw0 s PRO 36 N -4.78 4.06 0.27 1.29 0.04 -1.26 -4.90 135.00 129.71 2hw0 s PRO 36 Ca 0.64 1.89 0.03 0.00 0.04 0.00 0.00 61.00 63.59 2hw0 s PRO 36 Cb -0.20 -3.95 0.36 0.00 0.04 0.00 0.00 34.50 30.75 2hw0 s PRO 36 CO 0.57 -0.97 1.67 -0.84 0.04 0.00 0.00 177.00 177.47 2hw0 h ILE 37 N 5.75 1.30 0.00 0.56 3.07 -1.91 -2.62 117.51 123.65 2hw0 h ILE 37 Ca -0.34 -1.48 -0.01 0.00 1.55 0.00 0.00 64.86 64.57 2hw0 h ILE 37 Cb 1.15 1.56 -0.00 0.00 -0.27 0.00 0.00 36.82 39.26 2hw0 h ILE 37 CO 0.97 0.46 -0.06 -1.28 -1.05 0.00 0.00 178.15 177.19 2hw0 h SER 38 N 0.35 0.00 0.73 2.16 0.87 -1.98 -2.21 113.55 113.46 2hw0 h SER 38 Ca 0.04 0.00 -0.12 0.00 -1.23 0.00 0.00 61.79 60.48 2hw0 h SER 38 Cb 0.81 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 2hw0 h SER 38 CO 0.07 0.06 -0.57 0.25 -0.53 0.00 0.00 176.83 176.11 2hw0 h LEU 39 N 0.00 0.00 -7.82 2.23 6.46 -1.87 -3.42 115.31 110.90 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 0.38 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 39.95 2hw0 h LEU 39 CO 0.01 0.57 -0.82 -0.36 -0.62 0.00 0.00 178.44 177.22 2hw0 s PHE 40 N -3.54 2.32 0.55 1.25 0.40 -0.83 -2.53 117.98 115.60 2hw0 s PHE 40 Ca -0.01 -1.46 0.30 0.00 -0.60 0.00 0.00 56.93 55.16 2hw0 s PHE 40 Cb 0.12 -1.62 1.47 0.00 0.51 0.00 0.00 43.02 43.50 2hw0 s PHE 40 CO 0.74 -0.72 1.89 0.38 0.70 0.00 0.00 175.22 178.22 2hw0 h ASP 41 N 8.00 0.00 -3.33 1.36 2.03 -1.62 -3.38 116.42 119.48 2hw0 h ASP 41 Ca -0.31 0.00 -0.30 0.00 -0.73 0.00 0.00 57.03 55.69 2hw0 h ASP 41 Cb 1.11 0.00 -0.35 0.00 -0.83 0.00 0.00 39.33 39.26 2hw0 h ASP 41 CO 0.49 0.00 -0.67 -0.47 -1.03 0.00 0.00 179.24 177.56 2hw0 s TYR 42 N -4.88 -0.07 -0.14 4.15 5.04 -1.25 -0.26 117.35 119.94 2hw0 s TYR 42 Ca -0.05 0.38 -0.02 0.00 -2.44 0.00 0.00 57.07 54.95 2hw0 s TYR 42 Cb 0.20 -0.26 0.04 0.00 0.35 0.00 0.00 41.96 42.29 2hw0 s TYR 42 CO 0.71 -0.18 -0.01 0.12 -1.34 0.00 0.00 175.55 174.85 2hw0 s PHE 43 N 1.69 1.13 -0.09 4.97 2.19 -0.99 -0.04 117.98 126.85 2hw0 s PHE 43 Ca -0.02 -0.70 -0.02 0.00 0.33 0.00 0.00 56.93 56.51 2hw0 s PHE 43 Cb -0.12 -1.05 0.04 0.00 -1.31 0.00 0.00 43.02 40.57 2hw0 s PHE 43 CO -0.05 -0.52 0.03 -1.50 1.83 0.00 0.00 175.22 175.02 2hw0 s ILE 44 N 1.82 0.19 -0.01 3.12 2.07 -0.43 -1.49 121.20 126.47 2hw0 s ILE 44 Ca 0.02 0.11 0.08 0.00 -1.41 0.00 0.00 60.65 59.44 2hw0 s ILE 44 Cb -0.15 -0.48 -0.02 0.00 0.13 0.00 0.00 42.46 41.94 2hw0 s ILE 44 CO -0.07 0.12 -0.25 -0.69 -1.91 0.00 0.00 174.94 172.14 2hw0 s VAL 45 N 2.04 2.00 -0.03 4.00 1.01 -0.37 -0.07 120.40 128.98 2hw0 s VAL 45 Ca 0.04 -1.11 0.00 0.00 0.00 0.00 0.00 61.98 60.91 2hw0 s VAL 45 Cb -0.13 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.61 2hw0 s VAL 45 CO -0.05 0.54 0.01 -0.83 0.00 0.00 0.00 175.10 174.76 2hw0 s GLY 46 N -0.66 0.20 -0.02 4.51 0.00 -0.74 -0.60 107.32 110.01 2hw0 s GLY 46 Ca 0.10 0.20 -0.20 0.00 0.00 0.00 0.00 44.72 44.82 2hw0 s GLY 46 CO -0.01 0.64 0.58 1.85 0.00 0.00 0.00 173.10 176.17 2hw0 s GLU 47 N 1.05 4.32 -0.32 2.90 2.12 0.83 -2.31 118.70 127.29 2hw0 s GLU 47 Ca -0.09 0.70 -0.02 0.00 0.36 0.00 0.00 54.97 55.91 2hw0 s GLU 47 Cb -0.13 -3.36 0.06 0.00 0.26 0.00 0.00 34.13 30.96 2hw0 s GLU 47 CO -0.02 0.32 0.05 -2.00 -0.54 0.00 0.00 175.26 173.07 2hw0 s GLU 48 N -0.02 2.36 -0.45 4.30 2.56 0.43 -3.65 118.70 124.23 2hw0 s GLU 48 Ca 0.31 -1.36 0.05 0.00 0.00 0.00 0.00 54.97 53.97 2hw0 s GLU 48 Cb -0.18 -3.28 0.27 0.00 2.00 0.00 0.00 34.13 32.94 2hw0 s GLU 48 CO 0.16 -0.71 1.01 0.41 -0.56 0.00 0.00 175.26 175.58 2hw0 n GLY 49 N 4.63 -0.19 1.10 -1.50 0.00 -1.26 -0.88 105.19 107.08 2hw0 n GLY 49 Ca -0.11 0.28 -0.04 0.00 0.00 0.00 0.00 46.02 46.15 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 1.31 2.73 -3.79 1.61 2.85 -1.26 -4.93 115.26 113.78 2hw0 n ASN 50 Ca 0.07 -3.84 -0.30 0.00 -0.11 0.00 0.00 54.58 50.40 2hw0 n ASN 50 Cb 0.66 -0.54 -0.15 0.00 1.24 0.00 0.00 39.78 40.99 2hw0 n ASN 50 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2hw0 s GLU 51 N -3.33 0.90 0.49 1.20 2.02 -1.26 -5.12 118.70 113.60 2hw0 s GLU 51 Ca 0.43 -1.03 -0.23 0.00 0.02 0.00 0.00 54.97 54.16 2hw0 s GLU 51 Cb 0.39 -2.21 -0.08 0.00 0.10 0.00 0.00 34.13 32.34 2hw0 s GLU 51 CO -0.03 -0.87 1.16 -1.91 0.02 0.00 0.00 175.26 173.63 2hw0 n GLU 52 N 4.80 1.52 0.00 1.61 2.13 -1.26 -2.15 120.64 127.28 2hw0 n GLU 52 Ca -0.04 0.55 0.00 0.00 0.66 0.00 0.00 57.16 58.33 2hw0 n GLU 52 Cb 0.43 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 29.84 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 0.99 3.12 3.68 8.31 0.00 -1.26 -5.02 105.19 115.02 2hw0 n GLY 53 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 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 2.31 0.43 1.61 3.52 -0.91 -5.14 118.95 120.18 2hw0 s ARG 54 Ca 0.00 -1.52 -0.04 0.00 -0.13 0.00 0.00 55.73 54.05 2hw0 s ARG 54 Cb 0.00 -2.14 -0.04 0.00 -1.56 0.00 0.00 34.95 31.21 2hw0 s ARG 54 CO 0.00 0.22 0.71 0.95 -0.81 0.00 0.00 175.30 176.36 2hw0 s THR 55 N -2.39 4.97 0.81 4.11 -4.23 -1.26 -4.89 115.64 112.75 2hw0 s THR 55 Ca 0.35 0.01 -0.11 0.00 -1.18 0.00 0.00 61.69 60.76 2hw0 s THR 55 Cb -0.04 -3.86 0.08 0.00 1.34 0.00 0.00 72.50 70.02 2hw0 s THR 55 CO 0.21 -0.73 1.09 -2.16 -0.54 0.00 0.00 174.62 172.49 2hw0 s PRO 56 N -4.54 1.98 -0.00 3.99 0.04 -1.26 -4.79 135.00 130.42 2hw0 s PRO 56 Ca 0.45 1.08 -0.00 0.00 0.04 0.00 0.00 61.00 62.57 2hw0 s PRO 56 Cb -0.10 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2hw0 s PRO 56 CO 0.41 -1.81 0.00 -1.58 0.04 0.00 0.00 177.00 174.06 2hw0 s HIS 57 N -2.91 0.00 -0.16 0.56 2.46 -0.06 -0.09 115.29 115.09 2hw0 s HIS 57 Ca 0.62 0.02 -0.12 0.00 0.47 0.00 0.00 55.06 56.04 2hw0 s HIS 57 Cb -0.17 -0.03 -0.05 0.00 -0.13 0.00 0.00 32.58 32.20 2hw0 s HIS 57 CO 0.56 -0.01 0.24 -1.17 -2.47 0.00 0.00 174.74 171.89 2hw0 s LEU 58 N 0.13 4.26 -0.23 8.88 0.20 -0.23 -0.43 118.68 131.26 2hw0 s LEU 58 Ca -0.01 0.45 -0.03 0.00 0.69 0.00 0.00 54.13 55.22 2hw0 s LEU 58 Cb -0.02 -2.28 0.12 0.00 -0.43 0.00 0.00 46.19 43.59 2hw0 s LEU 58 CO -0.00 0.16 0.37 -1.58 -0.29 0.00 0.00 176.35 175.01 2hw0 s GLN 59 N 0.23 0.33 0.22 1.98 2.00 -0.98 -1.96 119.66 121.47 2hw0 s GLN 59 Ca 0.14 0.60 -0.09 0.00 -2.00 0.00 0.00 55.36 54.01 2hw0 s GLN 59 Cb -0.12 -0.38 -0.02 0.00 0.80 0.00 0.00 33.01 33.29 2hw0 s GLN 59 CO 0.03 -0.57 0.35 0.20 -0.50 0.00 0.00 175.29 174.79 2hw0 s GLY 60 N 2.54 0.79 -0.01 2.59 0.00 -1.07 -1.78 107.32 110.38 2hw0 s GLY 60 Ca 0.10 -1.12 0.05 0.00 0.00 0.00 0.00 44.72 43.75 2hw0 s GLY 60 CO -0.15 -0.88 -0.16 -0.12 0.00 0.00 0.00 173.10 171.79 2hw0 s PHE 61 N -4.05 1.42 -0.05 1.90 5.36 0.90 -2.06 117.98 121.39 2hw0 s PHE 61 Ca 0.26 -0.27 -0.00 0.00 -0.96 0.00 0.00 56.93 55.96 2hw0 s PHE 61 Cb 0.02 -0.91 0.03 0.00 -0.34 0.00 0.00 43.02 41.81 2hw0 s PHE 61 CO 0.08 -0.02 -0.01 0.00 -1.46 0.00 0.00 175.22 173.81 2hw0 s ALA 62 N -0.40 0.60 -0.38 11.12 0.00 -0.85 -1.31 121.76 130.54 2hw0 s ALA 62 Ca 0.06 -0.03 -0.21 0.00 0.00 0.00 0.00 51.96 51.78 2hw0 s ALA 62 Cb -0.06 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.54 2hw0 s ALA 62 CO -0.00 -0.21 0.66 1.21 0.00 0.00 0.00 175.76 177.41 2hw0 s ASN 63 N 1.38 6.41 0.01 0.00 3.84 0.94 -2.34 114.94 125.19 2hw0 s ASN 63 Ca -0.04 0.05 -0.30 0.00 0.21 0.00 0.00 52.86 52.78 2hw0 s ASN 63 Cb -0.13 -2.33 -0.06 0.00 -0.55 0.00 0.00 41.25 38.18 2hw0 s ASN 63 CO -0.02 -0.66 1.38 -0.36 -2.79 0.00 0.00 177.10 174.64 2hw0 s PHE 64 N 2.80 2.94 0.64 0.43 0.08 0.97 -2.20 117.98 123.63 2hw0 s PHE 64 Ca 0.25 0.88 0.41 0.00 0.12 0.00 0.00 56.93 58.58 2hw0 s PHE 64 Cb -0.14 -3.64 2.27 0.00 -0.57 0.00 0.00 43.02 40.94 2hw0 s PHE 64 CO 0.16 -2.33 2.34 0.28 -0.10 0.00 0.00 175.22 175.58 2hw0 h VAL 65 N 4.83 0.13 -4.40 -0.44 2.07 -1.77 -3.42 116.25 113.26 2hw0 h VAL 65 Ca -0.38 -0.02 -0.37 0.00 0.82 0.00 0.00 66.70 66.75 2hw0 h VAL 65 Cb 1.18 1.01 -0.08 0.00 -1.52 0.00 0.00 31.29 31.89 2hw0 h VAL 65 CO 0.89 0.00 -0.29 0.29 0.02 0.00 0.00 177.57 178.49 2hw0 n LYS 66 N -3.27 0.98 -3.31 1.57 4.01 -1.26 -5.01 118.16 111.88 2hw0 n LYS 66 Ca -0.03 -2.18 -0.42 0.00 -0.51 0.00 0.00 58.31 55.17 2hw0 n LYS 66 Cb 0.08 0.88 -0.09 0.00 -0.51 0.00 0.00 35.03 35.39 2hw0 n LYS 66 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2hw0 s LYS 67 N -3.03 3.33 0.23 1.97 3.01 -1.26 -4.15 119.74 119.83 2hw0 s LYS 67 Ca 0.06 -0.53 0.09 0.00 -1.01 0.00 0.00 55.97 54.58 2hw0 s LYS 67 Cb 0.00 -3.89 -0.05 0.00 -1.01 0.00 0.00 37.83 32.88 2hw0 s LYS 67 CO 0.05 -0.74 -0.17 -0.65 0.51 0.00 0.00 175.35 174.35 2hw0 s GLN 68 N 2.20 1.44 0.52 1.68 1.11 -1.00 -4.83 119.66 120.78 2hw0 s GLN 68 Ca 0.14 -1.64 0.05 0.00 0.01 0.00 0.00 55.36 53.92 2hw0 s GLN 68 Cb -0.16 -1.35 0.04 0.00 -1.01 0.00 0.00 33.01 30.52 2hw0 s GLN 68 CO 0.13 0.24 0.72 0.95 0.01 0.00 0.00 175.29 177.34 2hw0 s THR 69 N -2.75 2.68 0.06 -0.19 -4.23 -1.26 -1.46 115.64 108.50 2hw0 s THR 69 Ca 0.24 -0.83 -0.28 0.00 -1.18 0.00 0.00 61.69 59.65 2hw0 s THR 69 Cb -0.03 -2.86 -0.17 0.00 1.34 0.00 0.00 72.50 70.79 2hw0 s THR 69 CO 0.09 0.00 1.59 0.15 -0.54 0.00 0.00 174.62 175.92 2hw0 h PHE 70 N 0.25 -0.43 -0.86 3.99 3.57 -1.98 0.28 116.94 121.76 2hw0 h PHE 70 Ca -0.39 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.09 2hw0 h PHE 70 Cb 1.29 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 40.13 2hw0 h PHE 70 CO 0.33 -0.22 0.52 -0.97 -2.23 0.00 0.00 178.31 175.75 2hw0 h ASN 71 N -0.53 1.03 0.00 0.41 -0.73 -2.00 -2.53 115.58 111.23 2hw0 h ASN 71 Ca -0.05 -0.06 -0.00 0.00 1.87 0.00 0.00 56.30 58.06 2hw0 h ASN 71 Cb 0.40 -0.26 0.00 0.00 0.27 0.00 0.00 38.32 38.73 2hw0 h ASN 71 CO 0.08 0.79 -0.00 0.50 -0.37 0.00 0.00 177.43 178.42 2hw0 h LYS 72 N 1.18 -0.00 -0.28 6.67 3.11 -1.92 -2.67 116.57 122.66 2hw0 h LYS 72 Ca 0.31 0.00 0.08 0.00 -2.81 0.00 0.00 60.65 58.23 2hw0 h LYS 72 Cb -0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.16 2hw0 h LYS 72 CO -0.06 0.27 0.35 0.28 -2.81 0.00 0.00 179.45 177.48 2hw0 h VAL 73 N -0.27 0.34 0.00 2.00 2.07 -0.24 0.31 116.25 120.46 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 -3.61 0.07 0.28 1.57 5.02 -0.97 -1.69 118.16 118.82 2hw0 n LYS 74 Ca 0.04 0.44 0.17 0.00 -2.02 0.00 0.00 58.31 56.94 2hw0 n LYS 74 Cb 0.49 -1.67 0.68 0.00 -0.02 0.00 0.00 35.03 34.50 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 -0.51 -0.22 115.95 122.44 2hw0 h TRP 75 Ca 0.00 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 59.82 2hw0 h TRP 75 Cb 0.15 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.29 2hw0 h TRP 75 CO 0.00 0.00 -1.48 0.66 -1.28 0.00 0.00 178.44 176.35 2hw0 n TYR 76 N -3.10 0.00 0.57 0.12 4.01 -0.68 -4.61 117.16 113.47 2hw0 n TYR 76 Ca 0.01 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.85 2hw0 n TYR 76 Cb 0.31 -0.33 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 0.28 -0.94 7.72 4.77 -0.89 -4.94 117.00 119.56 2hw0 n LEU 77 Ca -0.18 0.56 0.05 0.00 -0.03 0.00 0.00 56.01 56.41 2hw0 n LEU 77 Cb 0.61 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 2hw0 n LEU 77 CO 0.01 -0.29 -0.35 0.61 -1.33 0.00 0.00 177.39 176.04 2hw0 n GLY 78 N 0.41 -3.35 0.14 -0.72 0.00 -0.09 -4.12 105.19 97.46 2hw0 n GLY 78 Ca 0.04 -1.11 0.01 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 -0.40 0.83 -0.83 4.61 0.00 -1.95 -3.22 119.26 118.31 2hw0 h ALA 79 Ca -0.06 -0.53 0.12 0.00 0.00 0.00 0.00 54.91 54.44 2hw0 h ALA 79 Cb 0.74 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 2hw0 h ALA 79 CO 0.02 0.72 0.44 0.00 0.00 0.00 0.00 179.25 180.44 2hw0 h ARG 80 N 0.00 0.67 -5.98 0.00 3.08 -1.95 -3.40 114.38 106.81 2hw0 h ARG 80 Ca -0.01 -0.04 -0.58 0.00 0.07 0.00 0.00 59.98 59.42 2hw0 h ARG 80 Cb 1.18 -0.15 -0.06 0.00 0.08 0.00 0.00 29.97 31.02 2hw0 h ARG 80 CO 0.08 0.44 -0.10 0.00 -1.07 0.00 0.00 179.97 179.31 2hw0 s HIS 82 N -0.30 3.43 0.01 0.00 2.46 -0.16 -4.82 115.29 115.91 2hw0 s HIS 82 Ca 0.27 1.32 0.04 0.00 0.47 0.00 0.00 55.06 57.16 2hw0 s HIS 82 Cb -0.17 -3.44 -0.03 0.00 -0.13 0.00 0.00 32.58 28.81 2hw0 s HIS 82 CO 0.14 -1.32 -0.09 0.42 -2.47 0.00 0.00 174.74 171.42 2hw0 s ILE 83 N 0.66 3.44 0.16 0.89 1.01 -1.26 -0.09 121.20 126.01 2hw0 s ILE 83 Ca 0.57 -0.86 -0.10 0.00 0.00 0.00 0.00 60.65 60.25 2hw0 s ILE 83 Cb -0.31 -2.48 -0.00 0.00 0.01 0.00 0.00 42.46 39.68 2hw0 s ILE 83 CO 0.32 0.39 0.31 -0.70 0.00 0.00 0.00 174.94 175.26 2hw0 s GLU 84 N -1.40 1.14 0.04 2.79 2.12 -0.62 -4.98 118.70 117.80 2hw0 s GLU 84 Ca 0.16 -1.08 -0.28 0.00 0.36 0.00 0.00 54.97 54.14 2hw0 s GLU 84 Cb -0.11 0.40 -0.05 0.00 0.26 0.00 0.00 34.13 34.63 2hw0 s GLU 84 CO 0.07 -0.43 0.87 0.15 -0.54 0.00 0.00 175.26 175.38 2hw0 s LYS 85 N -3.93 4.57 0.41 4.30 1.02 -1.26 -0.18 119.74 124.67 2hw0 s LYS 85 Ca 0.14 1.25 -0.05 0.00 0.02 0.00 0.00 55.97 57.32 2hw0 s LYS 85 Cb 0.03 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.89 2hw0 s LYS 85 CO -0.02 0.14 0.71 0.00 -0.92 0.00 0.00 175.35 175.26 2hw0 s ALA 86 N 0.36 3.47 0.01 5.17 0.00 -1.26 -4.86 121.76 124.65 2hw0 s ALA 86 Ca 0.45 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.90 2hw0 s ALA 86 Cb -0.21 -2.49 -0.01 0.00 0.00 0.00 0.00 23.12 20.41 2hw0 s ALA 86 CO 0.26 -0.14 -0.02 -1.59 0.00 0.00 0.00 175.76 174.27 2hw0 s LYS 87 N -4.30 0.15 0.00 0.00 -2.85 -1.26 -4.97 119.74 106.52 2hw0 s LYS 87 Ca 0.46 -0.21 0.00 0.00 -1.00 0.00 0.00 55.97 55.23 2hw0 s LYS 87 Cb -0.10 -0.04 0.00 0.00 -2.06 0.00 0.00 37.83 35.63 2hw0 s LYS 87 CO 0.38 0.00 0.00 0.41 0.10 0.00 0.00 175.35 176.25 2hw0 n GLY 88 N 2.62 -0.63 3.96 0.59 0.00 -1.26 -4.78 105.19 105.69 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 2.40 0.36 2.61 -4.23 -1.26 -4.94 115.64 110.58 2hw0 s THR 89 Ca 0.00 -1.18 0.09 0.00 -1.18 0.00 0.00 61.69 59.42 2hw0 s THR 89 Cb 0.00 -2.58 0.32 0.00 1.34 0.00 0.00 72.50 71.58 2hw0 s THR 89 CO 0.00 0.00 1.89 -2.24 -0.54 0.00 0.00 174.62 173.73 2hw0 h ASP 90 N 0.62 0.63 -0.06 3.99 2.03 -1.96 0.02 116.42 121.69 2hw0 h ASP 90 Ca -0.37 0.03 -0.13 0.00 -0.73 0.00 0.00 57.03 55.84 2hw0 h ASP 90 Cb 1.28 -0.10 -0.01 0.00 -0.83 0.00 0.00 39.33 39.67 2hw0 h ASP 90 CO 0.49 0.34 -0.37 -0.61 -1.03 0.00 0.00 179.24 178.06 2hw0 h GLN 91 N 0.68 0.57 -0.47 4.15 5.75 -1.95 0.25 115.11 124.09 2hw0 h GLN 91 Ca 0.41 -0.27 -0.14 0.00 -0.15 0.00 0.00 58.65 58.50 2hw0 h GLN 91 Cb 0.64 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 29.17 2hw0 h GLN 91 CO -0.17 0.85 -0.25 1.96 -2.65 0.00 0.00 178.83 178.57 2hw0 h GLN 92 N 0.47 0.99 0.13 1.69 4.20 -1.41 -1.92 115.11 119.26 2hw0 h GLN 92 Ca 0.05 -0.44 -0.28 0.00 0.06 0.00 0.00 58.65 58.03 2hw0 h GLN 92 Cb 0.86 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.63 2hw0 h GLN 92 CO 0.07 1.12 -1.23 -0.91 -0.67 0.00 0.00 178.83 177.21 2hw0 h ASN 93 N 0.85 0.56 -0.23 1.46 -0.26 -1.17 -2.38 115.58 114.41 2hw0 h ASN 93 Ca 0.10 -0.56 -0.01 0.00 -0.56 0.00 0.00 56.30 55.27 2hw0 h ASN 93 Cb 0.83 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.90 2hw0 h ASN 93 CO 0.07 1.42 0.12 0.50 -1.06 0.00 0.00 177.43 178.48 2hw0 h LYS 94 N 0.13 0.32 -0.18 0.81 3.64 -0.48 -1.29 116.57 119.53 2hw0 h LYS 94 Ca -0.15 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.03 2hw0 h LYS 94 Cb 1.93 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 33.68 2hw0 h LYS 94 CO 0.21 0.30 -0.55 0.93 -2.27 0.00 0.00 179.45 178.08 2hw0 h GLU 95 N 0.25 0.53 0.45 1.90 4.39 -1.45 -2.66 114.58 117.99 2hw0 h GLU 95 Ca 0.08 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.43 2hw0 h GLU 95 Cb 0.08 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.77 2hw0 h GLU 95 CO -0.01 0.94 -0.22 -0.92 -1.16 0.00 0.00 179.01 177.64 2hw0 h TYR 96 N 0.41 -0.56 -0.49 4.33 3.20 -1.21 0.28 116.97 122.91 2hw0 h TYR 96 Ca 0.01 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2hw0 h TYR 96 Cb 1.08 0.19 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 2hw0 h TYR 96 CO 0.04 -0.35 0.31 0.00 -1.64 0.00 0.00 178.16 176.52 2hw0 n SER 98 N -4.45 0.54 0.33 0.00 2.88 -1.00 -3.38 113.62 108.54 2hw0 n SER 98 Ca 0.04 0.55 0.21 0.00 -1.33 0.00 0.00 58.87 58.35 2hw0 n SER 98 Cb 0.06 -0.70 1.15 0.00 -0.75 0.00 0.00 64.21 63.98 2hw0 n SER 98 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 2hw0 h LYS 99 N 0.00 0.00 0.00 -1.46 3.11 0.14 0.91 116.57 119.26 2hw0 h LYS 99 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2hw0 h LYS 99 Cb 0.66 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.89 2hw0 h LYS 99 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 179.45 177.57 2hw0 h GLU 100 N 0.00 0.00 0.00 1.90 4.39 -1.69 -3.46 114.58 115.72 2hw0 h GLU 100 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2hw0 h GLU 100 Cb 0.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 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 0.32 1.26 2.85 -3.84 0.00 0.31 -4.69 105.19 101.40 2hw0 n GLY 101 Ca 0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.14 1.45 -0.27 1.61 2.47 -1.24 -5.06 114.94 110.77 2hw0 s ASN 102 Ca 0.00 -0.14 -0.11 0.00 0.42 0.00 0.00 52.86 53.03 2hw0 s ASN 102 Cb 0.00 -0.52 -0.05 0.00 -1.45 0.00 0.00 41.25 39.23 2hw0 s ASN 102 CO 0.00 -0.12 0.18 -0.76 -3.72 0.00 0.00 177.10 172.68 2hw0 s LEU 103 N 1.48 4.04 0.08 3.21 2.01 -1.26 -0.12 118.68 128.12 2hw0 s LEU 103 Ca -0.02 0.02 0.16 0.00 0.01 0.00 0.00 54.13 54.30 2hw0 s LEU 103 Cb -0.13 -2.11 -0.12 0.00 0.01 0.00 0.00 46.19 43.84 2hw0 s LEU 103 CO -0.03 -0.01 0.90 0.25 1.01 0.00 0.00 176.35 178.47 2hw0 h LEU 104 N 8.08 0.00 -7.00 1.79 5.85 -1.16 -3.45 115.31 119.43 2hw0 h LEU 104 Ca -0.36 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.41 2hw0 h LEU 104 Cb 1.18 0.00 -0.25 0.00 0.37 0.00 0.00 40.66 41.96 2hw0 h LEU 104 CO 0.59 0.63 0.34 -0.32 -0.34 0.00 0.00 178.44 179.33 2hw0 s MET 105 N -2.89 0.56 -0.25 1.25 0.00 -0.88 -4.95 119.30 112.14 2hw0 s MET 105 Ca -0.02 0.75 -0.01 0.00 0.00 0.00 0.00 55.69 56.40 2hw0 s MET 105 Cb 0.08 0.23 0.08 0.00 0.00 0.00 0.00 34.83 35.22 2hw0 s MET 105 CO 0.80 -0.08 0.05 -2.00 0.00 0.00 0.00 175.02 173.80 2hw0 s GLU 106 N 0.64 0.81 0.35 4.11 2.12 -1.26 -1.23 118.70 124.24 2hw0 s GLU 106 Ca -0.01 -0.80 -0.09 0.00 0.36 0.00 0.00 54.97 54.43 2hw0 s GLU 106 Cb -0.05 -2.11 0.02 0.00 0.26 0.00 0.00 34.13 32.26 2hw0 s GLU 106 CO -0.08 -0.80 0.61 0.00 -0.54 0.00 0.00 175.26 174.45 2hw0 n GLY 108 N -0.53 -1.09 3.68 0.00 0.00 -1.26 -2.35 105.19 103.64 2hw0 n GLY 108 Ca -0.03 -1.62 -0.23 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.24 3.25 -0.32 4.61 0.00 0.64 -4.82 121.76 123.88 2hw0 s ALA 109 Ca 0.00 -1.59 -0.29 0.00 0.00 0.00 0.00 51.96 50.08 2hw0 s ALA 109 Cb 0.00 -0.89 -0.01 0.00 0.00 0.00 0.00 23.12 22.21 2hw0 s ALA 109 CO 0.00 0.27 1.68 -1.25 0.00 0.00 0.00 175.76 176.46 2hw0 s PRO 110 N -3.68 3.50 0.63 0.00 0.04 -1.26 -4.39 135.00 129.83 2hw0 s PRO 110 Ca 0.32 1.38 -0.16 0.00 0.04 0.00 0.00 61.00 62.58 2hw0 s PRO 110 Cb -0.07 -4.12 -0.02 0.00 0.04 0.00 0.00 34.50 30.33 2hw0 s PRO 110 CO 0.21 -1.66 1.10 1.03 0.04 0.00 0.00 177.00 177.72 2hw0 s ARG 111 N 5.27 2.99 0.22 4.56 1.81 -1.26 -5.01 118.95 127.53 2hw0 s ARG 111 Ca 0.74 1.39 -0.01 0.00 -1.72 0.00 0.00 55.73 56.13 2hw0 s ARG 111 Cb -0.21 -1.98 -0.04 0.00 -0.45 0.00 0.00 34.95 32.27 2hw0 s ARG 111 CO 0.33 -1.10 0.16 -1.12 -0.68 0.00 0.00 175.30 172.89 2hw0 s SER 112 N -2.50 0.31 -0.43 0.23 0.01 -1.26 -3.80 113.70 106.27 2hw0 s SER 112 Ca 0.67 -1.41 0.02 0.00 1.31 0.00 0.00 55.95 56.54 2hw0 s SER 112 Cb -0.20 0.41 0.15 0.00 0.21 0.00 0.00 66.02 66.59 2hw0 s SER 112 CO 0.38 -0.88 0.29 -1.10 0.41 0.00 0.00 173.24 172.34 2hw0 s GLN 113 N -4.07 1.04 -0.41 12.44 -0.21 -1.26 -5.00 119.66 122.20 2hw0 s GLN 113 Ca 0.39 -1.95 -0.04 0.00 0.02 0.00 0.00 55.36 53.78 2hw0 s GLN 113 Cb 0.06 -1.82 0.05 0.00 1.00 0.00 0.00 33.01 32.30 2hw0 s GLN 113 CO 0.14 -1.26 2.78 0.41 -2.12 0.00 0.00 175.29 175.24 2hw0 n GLY 114 N 3.33 4.23 3.12 3.09 0.00 -1.26 -4.87 105.19 112.82 2hw0 n GLY 114 Ca 0.17 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 2hw0 n GLY 114 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2hw0 s GLN 115 N -1.52 2.62 0.00 1.61 0.74 -1.26 -5.39 119.66 116.45 2hw0 s GLN 115 Ca 0.57 -0.71 0.29 0.00 0.05 0.00 0.00 55.36 55.57 2hw0 s GLN 115 Cb 0.37 -2.14 1.76 0.00 1.10 0.00 0.00 33.01 34.09 2hw0 s GLN 115 CO -0.19 -0.02 2.09 -2.13 -0.55 0.00 0.00 175.29 174.49