#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 -4.00 -4.34 3.54 3.41 -1.26 -4.91 113.62 106.05 2hw0 n SER 3 Ca 0.00 -0.80 -0.46 0.00 -0.26 0.00 0.00 58.87 57.36 2hw0 n SER 3 Cb 0.00 -0.93 -0.01 0.00 -0.26 0.00 0.00 64.21 63.01 2hw0 n SER 3 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2hw0 s LYS 4 N -4.81 3.96 0.03 4.33 1.02 -1.26 -4.99 119.74 118.01 2hw0 s LYS 4 Ca 0.61 -2.88 -0.09 0.00 0.02 0.00 0.00 55.97 53.63 2hw0 s LYS 4 Cb -0.11 -4.53 0.00 0.00 -0.52 0.00 0.00 37.83 32.68 2hw0 s LYS 4 CO 0.51 -1.29 0.18 -1.59 -0.92 0.00 0.00 175.35 172.24 2hw0 s LYS 5 N -0.55 0.65 -0.29 1.68 -2.85 -1.26 -5.16 119.74 111.95 2hw0 s LYS 5 Ca 0.26 -0.60 -0.20 0.00 -1.00 0.00 0.00 55.97 54.44 2hw0 s LYS 5 Cb -0.10 0.27 0.18 0.00 -2.06 0.00 0.00 37.83 36.12 2hw0 s LYS 5 CO -0.08 -0.18 1.23 1.21 0.10 0.00 0.00 175.35 177.63 2hw0 s ASN 6 N -1.96 -0.20 1.21 0.03 3.84 -1.26 -5.17 114.94 111.44 2hw0 s ASN 6 Ca -0.07 0.34 -0.16 0.00 0.21 0.00 0.00 52.86 53.18 2hw0 s ASN 6 Cb -0.02 0.76 0.26 0.00 -0.55 0.00 0.00 41.25 41.70 2hw0 s ASN 6 CO -0.03 -0.06 0.71 0.61 -2.79 0.00 0.00 177.10 175.55 2hw0 n GLY 7 N 2.64 -2.48 3.49 1.21 0.00 -1.26 -5.06 105.19 103.73 2hw0 n GLY 7 Ca -0.15 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 2hw0 n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2hw0 s ARG 8 N -4.19 1.34 0.49 1.61 1.70 -1.26 -5.14 118.95 113.50 2hw0 s ARG 8 Ca 0.64 -0.74 0.00 0.00 -0.47 0.00 0.00 55.73 55.16 2hw0 s ARG 8 Cb -0.20 0.54 0.00 0.00 -0.57 0.00 0.00 34.95 34.72 2hw0 s ARG 8 CO 0.64 -0.57 0.00 0.45 -1.08 0.00 0.00 175.30 174.74 2hw0 n SER 9 N -0.34 -7.10 0.00 -2.89 2.88 -1.26 -4.86 113.62 100.05 2hw0 n SER 9 Ca -0.12 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 2hw0 n SER 9 Cb 0.63 -4.18 0.00 0.00 -0.75 0.00 0.00 64.21 59.91 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 -4.05 -0.45 3.76 0.46 0.00 -1.26 -4.90 105.19 98.75 2hw0 n GLY 10 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.94 4.44 0.18 1.61 0.04 -1.26 -5.05 135.00 134.02 2hw0 s PRO 11 Ca 0.00 2.06 0.11 0.00 0.04 0.00 0.00 61.00 63.21 2hw0 s PRO 11 Cb 0.00 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 2hw0 s PRO 11 CO 0.00 -0.11 -0.23 -0.65 0.04 0.00 0.00 177.00 176.05 2hw0 s GLN 12 N -1.13 1.45 0.47 4.56 -0.21 -1.26 -5.05 119.66 118.49 2hw0 s GLN 12 Ca 0.50 -1.48 -0.22 0.00 0.02 0.00 0.00 55.36 54.18 2hw0 s GLN 12 Cb -0.37 -1.74 -0.07 0.00 1.00 0.00 0.00 33.01 31.83 2hw0 s GLN 12 CO 0.45 0.38 1.16 -1.25 -2.12 0.00 0.00 175.29 173.90 2hw0 s PRO 13 N -2.61 3.69 0.34 2.91 0.04 -1.26 -4.87 135.00 133.24 2hw0 s PRO 13 Ca 0.19 1.74 0.06 0.00 0.04 0.00 0.00 61.00 63.03 2hw0 s PRO 13 Cb -0.08 -2.34 -0.03 0.00 0.04 0.00 0.00 34.50 32.09 2hw0 s PRO 13 CO 0.09 -0.60 0.23 -1.01 0.04 0.00 0.00 177.00 175.74 2hw0 s HIS 14 N -1.59 1.71 -1.34 0.56 3.76 -0.40 -4.67 115.29 113.33 2hw0 s HIS 14 Ca 0.65 -1.54 0.18 0.00 -0.15 0.00 0.00 55.06 54.21 2hw0 s HIS 14 Cb -0.28 -0.82 0.62 0.00 1.11 0.00 0.00 32.58 33.21 2hw0 s HIS 14 CO 0.33 -0.70 1.52 0.36 -0.85 0.00 0.00 174.74 175.41 2hw0 n LYS 15 N -0.67 3.20 -3.98 1.40 0.00 -1.26 -2.18 118.16 114.67 2hw0 n LYS 15 Ca 0.03 -2.67 -0.23 0.00 -0.00 0.00 0.00 58.31 55.45 2hw0 n LYS 15 Cb 0.63 -1.67 -0.17 0.00 -0.00 0.00 0.00 35.03 33.82 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 -1.46 0.91 -0.11 -1.58 0.52 -1.26 -0.01 118.95 115.95 2hw0 s ARG 16 Ca 0.45 -0.06 -0.08 0.00 -0.52 0.00 0.00 55.73 55.52 2hw0 s ARG 16 Cb 0.27 -1.06 0.04 0.00 0.52 0.00 0.00 34.95 34.72 2hw0 s ARG 16 CO 0.25 -0.20 0.29 -1.58 0.02 0.00 0.00 175.30 174.08 2hw0 s TRP 17 N 1.48 -0.36 0.24 -0.53 0.52 -0.98 -4.04 118.94 115.28 2hw0 s TRP 17 Ca -0.02 0.84 0.08 0.00 0.02 0.00 0.00 56.10 57.02 2hw0 s TRP 17 Cb -0.13 0.11 -0.04 0.00 -1.15 0.00 0.00 33.47 32.26 2hw0 s TRP 17 CO -0.03 -0.20 0.07 0.14 0.02 0.00 0.00 176.95 176.95 2hw0 s VAL 18 N 0.64 3.87 0.02 4.03 -7.23 0.84 -1.89 120.40 120.68 2hw0 s VAL 18 Ca -0.04 -1.64 0.03 0.00 -1.81 0.00 0.00 61.98 58.52 2hw0 s VAL 18 Cb -0.05 -3.06 -0.02 0.00 0.56 0.00 0.00 36.38 33.81 2hw0 s VAL 18 CO -0.04 -0.32 -0.09 0.72 -0.31 0.00 0.00 175.10 175.06 2hw0 s PHE 19 N -2.15 0.81 -0.14 2.82 -0.71 -0.87 -1.65 117.98 116.09 2hw0 s PHE 19 Ca 0.31 -0.30 -0.07 0.00 -1.04 0.00 0.00 56.93 55.84 2hw0 s PHE 19 Cb -0.07 -0.50 0.06 0.00 -1.21 0.00 0.00 43.02 41.30 2hw0 s PHE 19 CO 0.22 -0.02 0.32 0.95 -1.34 0.00 0.00 175.22 175.35 2hw0 s THR 20 N -0.73 -0.14 -0.02 -4.49 -4.23 -0.36 -2.73 115.64 102.94 2hw0 s THR 20 Ca -0.01 0.15 -0.01 0.00 -1.18 0.00 0.00 61.69 60.64 2hw0 s THR 20 Cb -0.06 -0.49 0.01 0.00 1.34 0.00 0.00 72.50 73.29 2hw0 s THR 20 CO 0.00 0.06 0.04 -0.22 -0.54 0.00 0.00 174.62 173.97 2hw0 s LEU 21 N 1.60 1.62 0.02 4.79 2.96 -0.69 -1.79 118.68 127.19 2hw0 s LEU 21 Ca -0.07 0.08 -0.23 0.00 -0.22 0.00 0.00 54.13 53.69 2hw0 s LEU 21 Cb -0.10 0.09 -0.05 0.00 0.50 0.00 0.00 46.19 46.63 2hw0 s LEU 21 CO -0.10 -0.05 0.68 0.54 -1.32 0.00 0.00 176.35 176.10 2hw0 s ASN 22 N 0.32 7.09 -0.87 3.68 4.22 -1.26 -0.63 114.94 127.50 2hw0 s ASN 22 Ca -0.03 1.31 -0.05 0.00 -2.14 0.00 0.00 52.86 51.95 2hw0 s ASN 22 Cb -0.04 -2.42 -0.01 0.00 1.28 0.00 0.00 41.25 40.07 2hw0 s ASN 22 CO -0.01 0.05 0.70 -3.20 -2.04 0.00 0.00 177.10 172.60 2hw0 n ASN 23 N 2.80 -6.31 -4.77 3.54 4.05 0.91 -4.92 115.26 110.56 2hw0 n ASN 23 Ca -0.04 -0.58 -0.38 0.00 0.45 0.00 0.00 54.58 54.03 2hw0 n ASN 23 Cb 0.51 -3.77 -0.01 0.00 1.23 0.00 0.00 39.78 37.74 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 -4.31 3.87 0.56 1.20 0.04 -1.26 -5.04 135.00 130.06 2hw0 s PRO 24 Ca 0.12 1.82 -0.00 0.00 0.04 0.00 0.00 61.00 62.98 2hw0 s PRO 24 Cb -0.04 -2.52 0.03 0.00 0.04 0.00 0.00 34.50 32.02 2hw0 s PRO 24 CO 0.82 -0.47 0.79 -1.12 0.04 0.00 0.00 177.00 177.06 2hw0 s SER 25 N -1.25 5.30 0.34 6.66 0.01 -1.26 -4.95 113.70 118.55 2hw0 s SER 25 Ca 0.61 0.10 0.12 0.00 1.31 0.00 0.00 55.95 58.09 2hw0 s SER 25 Cb -0.30 -1.01 0.62 0.00 0.21 0.00 0.00 66.02 65.54 2hw0 s SER 25 CO 0.37 -1.14 1.76 -0.33 0.41 0.00 0.00 173.24 174.31 2hw0 h GLU 26 N 0.02 0.00 0.00 12.44 5.08 -1.99 -1.97 114.58 128.17 2hw0 h GLU 26 Ca -0.43 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 57.79 2hw0 h GLU 26 Cb 1.29 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.55 2hw0 h GLU 26 CO 0.54 0.44 -0.53 0.22 -1.00 0.00 0.00 179.01 178.68 2hw0 h ASP 27 N 0.00 0.46 -0.08 1.42 1.82 -1.98 -1.99 116.42 116.07 2hw0 h ASP 27 Ca -0.00 -0.77 -0.00 0.00 -0.39 0.00 0.00 57.03 55.86 2hw0 h ASP 27 Cb 0.79 -0.14 -0.00 0.00 0.68 0.00 0.00 39.33 40.65 2hw0 h ASP 27 CO 0.06 1.18 0.04 -0.08 -1.61 0.00 0.00 179.24 178.82 2hw0 h GLU 28 N -0.20 0.11 -0.70 0.28 4.22 -1.94 -1.16 114.58 115.19 2hw0 h GLU 28 Ca -0.07 -0.02 -0.06 0.00 0.08 0.00 0.00 59.36 59.30 2hw0 h GLU 28 Cb 1.26 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.46 2hw0 h GLU 28 CO 0.10 0.18 0.20 0.00 -2.18 0.00 0.00 179.01 177.31 2hw0 h ARG 29 N 0.02 1.09 -0.93 1.92 3.08 -1.47 -2.52 114.38 115.58 2hw0 h ARG 29 Ca 0.03 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.82 2hw0 h ARG 29 Cb 0.10 -0.15 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 2hw0 h ARG 29 CO -0.00 0.95 0.55 0.87 -1.07 0.00 0.00 179.97 181.26 2hw0 h LYS 30 N 1.03 1.27 0.19 0.04 1.57 -1.18 0.24 116.57 119.74 2hw0 h LYS 30 Ca 0.22 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 2hw0 h LYS 30 Cb 0.33 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2hw0 h LYS 30 CO -0.00 0.90 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.46 2hw0 h LYS 31 N 1.29 -0.25 -0.68 3.15 3.64 -0.93 0.27 116.57 123.05 2hw0 h LYS 31 Ca 0.33 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.65 2hw0 h LYS 31 Cb -0.03 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 2hw0 h LYS 31 CO -0.06 -0.07 0.12 0.82 -2.27 0.00 0.00 179.45 177.99 2hw0 h ILE 32 N -0.39 1.26 0.00 2.00 2.04 -1.28 -1.95 117.51 119.20 2hw0 h ILE 32 Ca -0.03 -1.03 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 2hw0 h ILE 32 Cb 0.30 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2hw0 h ILE 32 CO 0.04 0.39 -0.06 0.03 0.00 0.00 0.00 178.15 178.55 2hw0 h ARG 33 N 1.05 0.00 -0.60 2.37 3.08 -0.42 -2.50 114.38 117.36 2hw0 h ARG 33 Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 2hw0 h ARG 33 Cb 0.43 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.48 2hw0 h ARG 33 CO 0.01 0.06 0.00 -3.47 -1.07 0.00 0.00 179.97 175.50 2hw0 n ASP 34 N -3.17 3.56 -4.75 7.04 2.03 0.94 -4.98 116.55 117.23 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 0.37 -0.40 0.11 0.00 -0.72 0.00 0.00 41.12 40.48 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 -1.14 2.94 -0.15 -2.67 1.43 -0.79 -4.94 118.68 113.36 2hw0 s LEU 35 Ca 0.44 1.87 -0.29 0.00 -1.03 0.00 0.00 54.13 55.11 2hw0 s LEU 35 Cb 0.23 -4.49 -0.03 0.00 0.03 0.00 0.00 46.19 41.93 2hw0 s LEU 35 CO 0.31 -2.28 1.56 -2.16 0.23 0.00 0.00 176.35 174.01 2hw0 s PRO 36 N -4.86 4.01 0.29 1.29 0.04 -1.26 -4.90 135.00 129.61 2hw0 s PRO 36 Ca 0.62 1.84 0.06 0.00 0.04 0.00 0.00 61.00 63.56 2hw0 s PRO 36 Cb -0.18 -3.97 0.42 0.00 0.04 0.00 0.00 34.50 30.81 2hw0 s PRO 36 CO 0.56 -1.03 1.68 -0.84 0.04 0.00 0.00 177.00 177.41 2hw0 h ILE 37 N 5.83 1.32 0.00 0.56 3.07 -1.92 -2.64 117.51 123.73 2hw0 h ILE 37 Ca -0.34 -1.57 -0.01 0.00 1.55 0.00 0.00 64.86 64.49 2hw0 h ILE 37 Cb 1.15 1.71 -0.00 0.00 -0.27 0.00 0.00 36.82 39.41 2hw0 h ILE 37 CO 0.98 0.47 -0.05 0.28 -1.05 0.00 0.00 178.15 178.78 2hw0 h SER 38 N 0.21 0.00 0.67 2.16 0.02 -2.00 -2.54 113.55 112.06 2hw0 h SER 38 Ca 0.02 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.84 2hw0 h SER 38 Cb 0.85 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 2hw0 h SER 38 CO 0.07 0.05 -0.59 0.25 -1.14 0.00 0.00 176.83 175.47 2hw0 h LEU 39 N 0.00 0.00 -8.06 5.07 6.46 -1.87 -3.42 115.31 113.49 2hw0 h LEU 39 Ca -0.00 0.00 -0.66 0.00 -0.12 0.00 0.00 57.88 57.10 2hw0 h LEU 39 Cb 0.49 0.00 -0.35 0.00 -0.73 0.00 0.00 40.66 40.07 2hw0 h LEU 39 CO 0.01 0.59 -0.86 -0.36 -0.62 0.00 0.00 178.44 177.19 2hw0 s PHE 40 N -3.59 2.64 0.65 1.25 0.40 -0.96 -2.59 117.98 115.78 2hw0 s PHE 40 Ca -0.01 -1.50 0.37 0.00 -0.60 0.00 0.00 56.93 55.19 2hw0 s PHE 40 Cb 0.12 -1.83 2.06 0.00 0.51 0.00 0.00 43.02 43.88 2hw0 s PHE 40 CO 0.75 -0.74 2.21 0.22 0.70 0.00 0.00 175.22 178.36 2hw0 h ASP 41 N 7.81 0.00 -2.95 1.36 3.58 -1.62 -3.40 116.42 121.21 2hw0 h ASP 41 Ca -0.42 0.00 -0.15 0.00 0.42 0.00 0.00 57.03 56.88 2hw0 h ASP 41 Cb 1.15 0.00 -0.29 0.00 1.72 0.00 0.00 39.33 41.91 2hw0 h ASP 41 CO 0.60 0.00 -0.41 -0.47 -2.88 0.00 0.00 179.24 176.08 2hw0 s TYR 42 N -4.26 -0.56 -0.14 0.28 5.04 -1.23 -0.12 117.35 116.36 2hw0 s TYR 42 Ca -0.05 1.19 -0.02 0.00 -2.44 0.00 0.00 57.07 55.75 2hw0 s TYR 42 Cb 0.12 0.16 0.04 0.00 0.35 0.00 0.00 41.96 42.64 2hw0 s TYR 42 CO 0.41 -0.37 0.00 0.12 -1.34 0.00 0.00 175.55 174.38 2hw0 s PHE 43 N 1.98 1.04 -0.09 4.97 2.19 -1.00 -0.10 117.98 126.97 2hw0 s PHE 43 Ca -0.05 -0.65 -0.02 0.00 0.33 0.00 0.00 56.93 56.55 2hw0 s PHE 43 Cb -0.11 -1.01 0.04 0.00 -1.31 0.00 0.00 43.02 40.63 2hw0 s PHE 43 CO -0.11 -0.51 0.04 -1.50 1.83 0.00 0.00 175.22 174.97 2hw0 s ILE 44 N 1.85 0.15 -0.05 3.12 2.07 -0.47 -1.39 121.20 126.49 2hw0 s ILE 44 Ca 0.02 0.11 0.06 0.00 -1.41 0.00 0.00 60.65 59.42 2hw0 s ILE 44 Cb -0.15 -0.46 -0.01 0.00 0.13 0.00 0.00 42.46 41.97 2hw0 s ILE 44 CO -0.07 0.09 -0.22 -0.69 -1.91 0.00 0.00 174.94 172.14 2hw0 s VAL 45 N 2.06 1.83 -0.02 4.00 1.01 -0.54 0.03 120.40 128.77 2hw0 s VAL 45 Ca 0.04 -0.94 0.04 0.00 0.00 0.00 0.00 61.98 61.12 2hw0 s VAL 45 Cb -0.13 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 2hw0 s VAL 45 CO -0.05 0.51 -0.14 -0.83 0.00 0.00 0.00 175.10 174.59 2hw0 s GLY 46 N -0.14 0.72 -0.13 4.51 0.00 -0.17 -0.19 107.32 111.93 2hw0 s GLY 46 Ca -0.02 -0.60 -0.12 0.00 0.00 0.00 0.00 44.72 43.98 2hw0 s GLY 46 CO 0.03 -0.44 0.25 1.85 0.00 0.00 0.00 173.10 174.78 2hw0 s GLU 47 N -0.21 3.99 -0.27 2.90 2.12 0.17 -2.31 118.70 125.09 2hw0 s GLU 47 Ca 0.03 0.04 0.02 0.00 0.36 0.00 0.00 54.97 55.42 2hw0 s GLU 47 Cb -0.07 -3.33 0.07 0.00 0.26 0.00 0.00 34.13 31.06 2hw0 s GLU 47 CO -0.00 0.45 -0.04 -2.00 -0.54 0.00 0.00 175.26 173.13 2hw0 s GLU 48 N -0.16 1.74 0.00 4.30 2.12 -0.94 -3.86 118.70 121.90 2hw0 s GLU 48 Ca 0.16 -1.32 0.00 0.00 0.36 0.00 0.00 54.97 54.16 2hw0 s GLU 48 Cb -0.13 -2.79 0.00 0.00 0.26 0.00 0.00 34.13 31.47 2hw0 s GLU 48 CO 0.04 -0.70 0.78 0.41 -0.54 0.00 0.00 175.26 175.26 2hw0 n GLY 49 N 4.50 0.62 3.28 -1.50 0.00 -1.26 -1.41 105.19 109.42 2hw0 n GLY 49 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 4.08 -3.16 1.61 4.05 -1.26 -4.72 115.26 115.86 2hw0 n ASN 50 Ca 0.00 -2.84 0.05 0.00 0.45 0.00 0.00 54.58 52.24 2hw0 n ASN 50 Cb 0.62 -1.65 -0.02 0.00 1.23 0.00 0.00 39.78 39.95 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 4.34 0.06 0.44 1.20 2.12 -1.26 -5.14 118.70 120.46 2hw0 s GLU 51 Ca 0.54 0.11 -0.24 0.00 0.36 0.00 0.00 54.97 55.75 2hw0 s GLU 51 Cb 0.07 0.06 -0.08 0.00 0.26 0.00 0.00 34.13 34.45 2hw0 s GLU 51 CO 0.04 -0.05 1.18 -1.83 -0.54 0.00 0.00 175.26 174.06 2hw0 s GLU 52 N 2.75 3.83 0.00 4.30 -1.05 -1.26 -3.02 118.70 124.24 2hw0 s GLU 52 Ca -0.06 1.82 0.00 0.00 -0.15 0.00 0.00 54.97 56.58 2hw0 s GLU 52 Cb -0.07 -2.49 0.00 0.00 -0.44 0.00 0.00 34.13 31.14 2hw0 s GLU 52 CO -0.10 -0.51 0.00 0.41 0.95 0.00 0.00 175.26 176.02 2hw0 n GLY 53 N 0.51 3.20 3.60 -3.83 0.00 -1.26 -5.02 105.19 102.39 2hw0 n GLY 53 Ca 0.06 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.60 2.13 0.37 1.61 3.52 -1.17 -5.14 118.95 119.68 2hw0 s ARG 54 Ca 0.00 -1.52 -0.01 0.00 -0.13 0.00 0.00 55.73 54.06 2hw0 s ARG 54 Cb 0.00 -2.05 -0.04 0.00 -1.56 0.00 0.00 34.95 31.30 2hw0 s ARG 54 CO 0.00 0.34 0.60 0.95 -0.81 0.00 0.00 175.30 176.38 2hw0 s THR 55 N -2.38 5.05 0.81 4.11 -4.23 -1.26 -4.88 115.64 112.85 2hw0 s THR 55 Ca 0.31 -0.25 -0.11 0.00 -1.18 0.00 0.00 61.69 60.46 2hw0 s THR 55 Cb -0.06 -3.85 0.08 0.00 1.34 0.00 0.00 72.50 70.01 2hw0 s THR 55 CO 0.19 -0.59 1.09 -2.16 -0.54 0.00 0.00 174.62 172.61 2hw0 s PRO 56 N -4.31 1.98 0.00 3.99 0.04 -1.26 -4.78 135.00 130.66 2hw0 s PRO 56 Ca 0.42 1.08 -0.00 0.00 0.04 0.00 0.00 61.00 62.54 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 0.37 -1.81 0.00 -1.58 0.04 0.00 0.00 177.00 174.02 2hw0 s HIS 57 N -2.91 0.01 -0.35 0.56 2.46 -0.50 -0.06 115.29 114.50 2hw0 s HIS 57 Ca 0.62 -0.02 -0.18 0.00 0.47 0.00 0.00 55.06 55.95 2hw0 s HIS 57 Cb -0.17 -0.01 -0.00 0.00 -0.13 0.00 0.00 32.58 32.26 2hw0 s HIS 57 CO 0.56 -0.01 0.51 -1.17 -2.47 0.00 0.00 174.74 172.16 2hw0 s LEU 58 N -0.07 4.37 -0.16 8.88 0.20 0.20 -2.21 118.68 129.89 2hw0 s LEU 58 Ca -0.01 -0.06 -0.01 0.00 0.69 0.00 0.00 54.13 54.74 2hw0 s LEU 58 Cb -0.01 -2.57 0.04 0.00 -0.43 0.00 0.00 46.19 43.23 2hw0 s LEU 58 CO -0.00 -0.48 -0.02 -1.58 -0.29 0.00 0.00 176.35 173.98 2hw0 s GLN 59 N 2.38 1.08 0.24 1.98 2.00 -0.98 -1.70 119.66 124.66 2hw0 s GLN 59 Ca 0.18 -0.40 -0.14 0.00 -2.00 0.00 0.00 55.36 53.01 2hw0 s GLN 59 Cb -0.15 -1.87 0.00 0.00 0.80 0.00 0.00 33.01 31.78 2hw0 s GLN 59 CO 0.13 -0.47 0.50 0.20 -0.50 0.00 0.00 175.29 175.15 2hw0 s GLY 60 N 1.75 0.38 -0.00 2.59 0.00 -1.10 -1.00 107.32 109.93 2hw0 s GLY 60 Ca 0.01 -0.73 0.04 0.00 0.00 0.00 0.00 44.72 44.04 2hw0 s GLY 60 CO -0.07 -0.53 -0.13 -0.12 0.00 0.00 0.00 173.10 172.25 2hw0 s PHE 61 N -3.98 1.13 -0.05 1.90 5.36 0.10 -2.05 117.98 120.39 2hw0 s PHE 61 Ca 0.19 -0.23 0.00 0.00 -0.96 0.00 0.00 56.93 55.93 2hw0 s PHE 61 Cb -0.01 -0.72 0.02 0.00 -0.34 0.00 0.00 43.02 41.98 2hw0 s PHE 61 CO 0.07 -0.01 -0.03 0.00 -1.46 0.00 0.00 175.22 173.79 2hw0 s ALA 62 N -0.37 0.61 -0.35 11.12 0.00 -0.79 -1.36 121.76 130.62 2hw0 s ALA 62 Ca 0.04 -0.03 -0.16 0.00 0.00 0.00 0.00 51.96 51.82 2hw0 s ALA 62 Cb -0.05 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.60 2hw0 s ALA 62 CO -0.00 -0.11 0.38 1.21 0.00 0.00 0.00 175.76 177.24 2hw0 s ASN 63 N 1.13 6.19 0.12 0.00 3.84 0.86 -2.31 114.94 124.78 2hw0 s ASN 63 Ca -0.08 -0.25 -0.31 0.00 0.21 0.00 0.00 52.86 52.43 2hw0 s ASN 63 Cb -0.14 -2.21 -0.08 0.00 -0.55 0.00 0.00 41.25 38.28 2hw0 s ASN 63 CO -0.01 -0.38 1.36 -0.36 -2.79 0.00 0.00 177.10 174.92 2hw0 s PHE 64 N 2.07 3.27 0.57 0.43 0.08 0.99 -2.05 117.98 123.33 2hw0 s PHE 64 Ca 0.12 1.04 0.32 0.00 0.12 0.00 0.00 56.93 58.53 2hw0 s PHE 64 Cb -0.16 -3.64 1.86 0.00 -0.57 0.00 0.00 43.02 40.50 2hw0 s PHE 64 CO 0.12 -2.18 2.25 0.28 -0.10 0.00 0.00 175.22 175.58 2hw0 h VAL 65 N 4.18 0.46 -4.04 -0.44 2.07 -1.78 -3.42 116.25 113.28 2hw0 h VAL 65 Ca -0.43 -0.08 -0.28 0.00 0.82 0.00 0.00 66.70 66.74 2hw0 h VAL 65 Cb 1.21 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.97 2hw0 h VAL 65 CO 0.84 0.02 -0.22 2.29 0.02 0.00 0.00 177.57 180.52 2hw0 n LYS 66 N -3.71 0.95 -3.00 1.57 0.00 -1.26 -4.97 118.16 107.73 2hw0 n LYS 66 Ca -0.03 -1.66 -0.41 0.00 -0.00 0.00 0.00 58.31 56.22 2hw0 n LYS 66 Cb 0.10 0.77 -0.05 0.00 -0.00 0.00 0.00 35.03 35.86 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 -2.77 4.28 0.06 -1.58 3.01 -1.26 -4.20 119.74 117.27 2hw0 s LYS 67 Ca 0.07 0.84 0.03 0.00 -1.01 0.00 0.00 55.97 55.89 2hw0 s LYS 67 Cb 0.00 -3.56 -0.03 0.00 -1.01 0.00 0.00 37.83 33.23 2hw0 s LYS 67 CO 0.05 -0.25 -0.09 -0.65 0.51 0.00 0.00 175.35 174.93 2hw0 s GLN 68 N 1.90 0.61 0.57 1.68 -0.21 -0.93 -4.87 119.66 118.42 2hw0 s GLN 68 Ca 0.34 -0.87 -0.01 0.00 0.02 0.00 0.00 55.36 54.84 2hw0 s GLN 68 Cb -0.16 -0.36 0.03 0.00 1.00 0.00 0.00 33.01 33.52 2hw0 s GLN 68 CO 0.12 0.06 0.82 0.95 -2.12 0.00 0.00 175.29 175.12 2hw0 s THR 69 N -1.69 2.87 0.06 -0.19 -4.23 -1.26 -1.28 115.64 109.92 2hw0 s THR 69 Ca -0.06 -0.50 -0.29 0.00 -1.18 0.00 0.00 61.69 59.67 2hw0 s THR 69 Cb -0.08 -3.11 -0.17 0.00 1.34 0.00 0.00 72.50 70.48 2hw0 s THR 69 CO 0.00 -0.09 1.56 0.15 -0.54 0.00 0.00 174.62 175.70 2hw0 h PHE 70 N -0.05 -0.53 -0.88 3.99 3.57 -1.97 0.30 116.94 121.37 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 1.29 0.18 -0.04 0.00 2.79 0.00 0.00 35.95 40.17 2hw0 h PHE 70 CO 0.38 -0.29 0.48 -0.97 -2.23 0.00 0.00 178.31 175.69 2hw0 h ASN 71 N -0.65 1.09 0.00 0.41 -0.73 -2.00 -2.62 115.58 111.08 2hw0 h ASN 71 Ca -0.06 -0.10 -0.00 0.00 1.87 0.00 0.00 56.30 58.01 2hw0 h ASN 71 Cb 0.48 -0.28 0.00 0.00 0.27 0.00 0.00 38.32 38.79 2hw0 h ASN 71 CO 0.10 0.88 -0.00 0.50 -0.37 0.00 0.00 177.43 178.53 2hw0 h LYS 72 N 1.22 -0.00 -0.32 6.67 1.63 -1.92 -2.66 116.57 121.19 2hw0 h LYS 72 Ca 0.31 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 60.20 2hw0 h LYS 72 Cb 0.03 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.64 2hw0 h LYS 72 CO -0.05 0.25 0.36 0.28 -3.45 0.00 0.00 179.45 176.84 2hw0 h VAL 73 N -0.25 0.39 0.00 2.00 2.07 -0.24 0.30 116.25 120.52 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 0.25 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 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 -3.71 0.08 0.28 1.57 5.02 -1.00 -1.62 118.16 118.78 2hw0 n LYS 74 Ca 0.05 0.47 0.18 0.00 -2.02 0.00 0.00 58.31 56.99 2hw0 n LYS 74 Cb 0.51 -1.71 0.73 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 -0.53 -0.09 115.95 122.54 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 0.13 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 -1.48 0.66 -1.28 0.00 0.00 178.44 176.34 2hw0 n TYR 76 N -3.09 0.00 -0.04 0.12 4.01 -0.64 -4.71 117.16 112.81 2hw0 n TYR 76 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.67 2hw0 n TYR 76 Cb 0.29 -0.34 0.10 0.00 -0.31 0.00 0.00 39.34 39.08 2hw0 n TYR 76 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2hw0 h LEU 77 N -0.35 0.68 0.00 7.72 3.38 -1.56 -3.47 115.31 121.71 2hw0 h LEU 77 Ca -0.23 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2hw0 h LEU 77 Cb 1.17 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.73 2hw0 h LEU 77 CO -0.14 0.96 0.00 0.61 0.09 0.00 0.00 178.44 179.96 2hw0 n GLY 78 N -0.10 0.22 0.15 0.83 0.00 -0.05 -4.58 105.19 101.67 2hw0 n GLY 78 Ca -0.01 -1.60 0.02 0.00 0.00 0.00 0.00 46.02 44.44 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 0.00 0.83 -0.92 4.61 0.00 -1.97 -3.19 119.26 118.61 2hw0 h ALA 79 Ca 0.00 -0.47 0.17 0.00 0.00 0.00 0.00 54.91 54.62 2hw0 h ALA 79 Cb 0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 2hw0 h ALA 79 CO 0.00 0.64 0.59 0.00 0.00 0.00 0.00 179.25 180.48 2hw0 h ARG 80 N 0.00 0.60 -5.78 0.00 2.47 -1.95 -3.40 114.38 106.32 2hw0 h ARG 80 Ca -0.01 -0.04 -0.66 0.00 -1.26 0.00 0.00 59.98 58.02 2hw0 h ARG 80 Cb 1.15 -0.14 -0.08 0.00 -1.65 0.00 0.00 29.97 29.26 2hw0 h ARG 80 CO 0.07 0.40 -0.51 0.00 0.56 0.00 0.00 179.97 180.48 2hw0 s HIS 82 N -1.11 3.61 -0.08 0.00 2.46 -0.74 -4.82 115.29 114.60 2hw0 s HIS 82 Ca 0.19 1.58 0.01 0.00 0.47 0.00 0.00 55.06 57.31 2hw0 s HIS 82 Cb -0.12 -3.23 -0.03 0.00 -0.13 0.00 0.00 32.58 29.08 2hw0 s HIS 82 CO 0.09 -0.46 -0.11 0.42 -2.47 0.00 0.00 174.74 172.21 2hw0 s ILE 83 N 0.62 3.36 0.13 0.89 1.01 -1.26 -1.22 121.20 124.73 2hw0 s ILE 83 Ca 0.53 -0.59 -0.00 0.00 0.00 0.00 0.00 60.65 60.58 2hw0 s ILE 83 Cb -0.25 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 2hw0 s ILE 83 CO 0.30 0.57 0.03 -1.61 0.00 0.00 0.00 174.94 174.23 2hw0 s GLU 84 N -0.44 0.93 0.03 2.79 0.41 -0.66 -4.97 118.70 116.80 2hw0 s GLU 84 Ca 0.06 -1.44 -0.27 0.00 -0.41 0.00 0.00 54.97 52.91 2hw0 s GLU 84 Cb -0.12 0.10 -0.05 0.00 -1.78 0.00 0.00 34.13 32.28 2hw0 s GLU 84 CO 0.02 -0.21 0.85 0.15 -0.49 0.00 0.00 175.26 175.59 2hw0 s LYS 85 N -4.00 4.55 0.43 1.61 1.02 -1.26 -0.11 119.74 121.99 2hw0 s LYS 85 Ca 0.22 1.21 -0.06 0.00 0.02 0.00 0.00 55.97 57.36 2hw0 s LYS 85 Cb 0.07 -3.41 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 2hw0 s LYS 85 CO 0.01 0.14 0.74 0.00 -0.92 0.00 0.00 175.35 175.33 2hw0 s ALA 86 N 0.38 3.43 -0.06 5.17 0.00 -1.26 -4.85 121.76 124.56 2hw0 s ALA 86 Ca 0.44 -0.45 -0.09 0.00 0.00 0.00 0.00 51.96 51.85 2hw0 s ALA 86 Cb -0.21 -2.56 0.02 0.00 0.00 0.00 0.00 23.12 20.37 2hw0 s ALA 86 CO 0.25 -0.18 0.23 -1.59 0.00 0.00 0.00 175.76 174.46 2hw0 s LYS 87 N -4.36 0.36 0.00 0.00 -2.85 -1.26 -4.95 119.74 106.68 2hw0 s LYS 87 Ca 0.48 0.12 0.00 0.00 -1.00 0.00 0.00 55.97 55.57 2hw0 s LYS 87 Cb -0.10 0.17 0.00 0.00 -2.06 0.00 0.00 37.83 35.83 2hw0 s LYS 87 CO 0.39 -0.07 0.00 0.41 0.10 0.00 0.00 175.35 176.19 2hw0 n GLY 88 N 2.46 0.37 3.78 0.59 0.00 -1.26 -4.80 105.19 106.33 2hw0 n GLY 88 Ca -0.16 -2.16 -0.28 0.00 0.00 0.00 0.00 46.02 43.42 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 1.78 0.31 2.61 -4.23 -1.26 -4.96 115.64 109.88 2hw0 s THR 89 Ca 0.00 -1.76 0.04 0.00 -1.18 0.00 0.00 61.69 58.79 2hw0 s THR 89 Cb 0.00 -2.54 0.30 0.00 1.34 0.00 0.00 72.50 71.60 2hw0 s THR 89 CO 0.00 0.00 1.84 -0.78 -0.54 0.00 0.00 174.62 175.14 2hw0 h ASP 90 N 1.26 0.84 -0.04 3.99 3.58 -1.96 0.55 116.42 124.65 2hw0 h ASP 90 Ca -0.42 0.05 -0.13 0.00 0.42 0.00 0.00 57.03 56.95 2hw0 h ASP 90 Cb 1.28 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 42.20 2hw0 h ASP 90 CO 0.69 0.43 -0.38 -0.61 -2.88 0.00 0.00 179.24 176.49 2hw0 h GLN 91 N 0.89 0.55 -0.33 0.28 5.75 -1.96 0.28 115.11 120.57 2hw0 h GLN 91 Ca 0.49 -0.27 -0.15 0.00 -0.15 0.00 0.00 58.65 58.57 2hw0 h GLN 91 Cb 0.58 -0.00 -0.00 0.00 1.07 0.00 0.00 27.48 29.12 2hw0 h GLN 91 CO -0.25 0.84 -0.37 1.96 -2.65 0.00 0.00 178.83 178.36 2hw0 h GLN 92 N 0.46 0.84 0.03 1.69 4.20 -1.45 -1.07 115.11 119.81 2hw0 h GLN 92 Ca 0.04 -0.46 -0.19 0.00 0.06 0.00 0.00 58.65 58.10 2hw0 h GLN 92 Cb 0.87 0.02 0.02 0.00 0.30 0.00 0.00 27.48 28.69 2hw0 h GLN 92 CO 0.07 1.09 -0.78 -0.91 -0.67 0.00 0.00 178.83 177.64 2hw0 h ASN 93 N 0.62 0.62 -0.26 1.46 -0.26 -0.90 -1.70 115.58 115.16 2hw0 h ASN 93 Ca 0.05 -0.79 -0.01 0.00 -0.56 0.00 0.00 56.30 54.99 2hw0 h ASN 93 Cb 0.96 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 38.01 2hw0 h ASN 93 CO 0.09 1.34 0.14 0.50 -1.06 0.00 0.00 177.43 178.44 2hw0 h LYS 94 N -0.02 0.37 -0.24 0.81 3.64 -0.49 -2.31 116.57 118.33 2hw0 h LYS 94 Ca -0.11 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.10 2hw0 h LYS 94 Cb 1.49 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.23 2hw0 h LYS 94 CO 0.15 0.33 -0.40 0.93 -2.27 0.00 0.00 179.45 178.19 2hw0 h GLU 95 N 0.31 0.55 -0.41 1.90 4.39 -1.29 -2.66 114.58 117.38 2hw0 h GLU 95 Ca 0.09 -0.28 0.04 0.00 0.34 0.00 0.00 59.36 59.56 2hw0 h GLU 95 Cb 0.07 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.68 2hw0 h GLU 95 CO -0.01 0.86 0.17 -0.92 -1.16 0.00 0.00 179.01 177.94 2hw0 h TYR 96 N 0.45 0.31 -0.25 4.33 5.03 -1.04 0.30 116.97 126.11 2hw0 h TYR 96 Ca 0.04 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.26 2hw0 h TYR 96 Cb 0.89 -0.08 -0.01 0.00 1.55 0.00 0.00 36.73 39.08 2hw0 h TYR 96 CO 0.03 0.14 -0.30 0.00 -1.32 0.00 0.00 178.16 176.71 2hw0 n SER 98 N -4.09 0.39 0.30 0.00 2.88 -0.78 -3.36 113.62 108.96 2hw0 n SER 98 Ca -0.01 0.54 0.19 0.00 -1.33 0.00 0.00 58.87 58.27 2hw0 n SER 98 Cb 0.44 -0.65 1.00 0.00 -0.75 0.00 0.00 64.21 64.26 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 3.64 0.08 0.24 116.57 119.07 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 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2hw0 h LYS 99 CO 0.00 0.00 0.00 0.93 -2.27 0.00 0.00 179.45 178.11 2hw0 h GLU 100 N 0.00 0.00 0.00 1.90 4.39 -1.73 -3.46 114.58 115.67 2hw0 h GLU 100 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2hw0 h GLU 100 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 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 0.29 1.90 2.84 -3.84 0.00 0.84 -4.81 105.19 102.41 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 -1.31 0.00 0.00 0.00 173.32 172.01 2hw0 s ASN 102 N -3.35 1.42 0.00 1.61 -0.87 -1.25 -5.09 114.94 107.41 2hw0 s ASN 102 Ca 0.00 -0.13 -0.16 0.00 -1.57 0.00 0.00 52.86 51.00 2hw0 s ASN 102 Cb 0.00 -0.50 -0.06 0.00 -0.02 0.00 0.00 41.25 40.67 2hw0 s ASN 102 CO 0.00 -0.13 0.45 -0.76 -2.57 0.00 0.00 177.10 174.09 2hw0 s LEU 103 N 1.51 4.47 -0.15 0.60 2.01 -1.26 -0.66 118.68 125.19 2hw0 s LEU 103 Ca -0.02 1.01 0.12 0.00 0.01 0.00 0.00 54.13 55.25 2hw0 s LEU 103 Cb -0.13 -2.66 -0.17 0.00 0.01 0.00 0.00 46.19 43.24 2hw0 s LEU 103 CO -0.03 0.28 0.02 -0.11 1.01 0.00 0.00 176.35 177.52 2hw0 n LEU 104 N 1.99 0.39 -3.64 1.79 7.94 0.73 -4.62 117.00 121.58 2hw0 n LEU 104 Ca -0.13 -0.01 -0.12 0.00 -1.11 0.00 0.00 56.01 54.64 2hw0 n LEU 104 Cb 0.52 0.23 -0.07 0.00 0.53 0.00 0.00 43.42 44.62 2hw0 n LEU 104 CO 0.39 0.42 0.36 -0.32 -1.11 0.00 0.00 177.39 177.13 2hw0 s MET 105 N -2.36 0.75 -0.25 1.96 0.00 0.11 -4.95 119.30 114.56 2hw0 s MET 105 Ca -0.10 1.03 -0.01 0.00 0.00 0.00 0.00 55.69 56.61 2hw0 s MET 105 Cb 0.05 0.30 0.08 0.00 0.00 0.00 0.00 34.83 35.25 2hw0 s MET 105 CO 0.58 -0.11 0.05 -2.00 0.00 0.00 0.00 175.02 173.54 2hw0 s GLU 106 N 0.80 0.84 0.35 4.11 2.12 -1.26 -1.47 118.70 124.18 2hw0 s GLU 106 Ca -0.03 -0.80 -0.08 0.00 0.36 0.00 0.00 54.97 54.41 2hw0 s GLU 106 Cb -0.05 -2.14 0.02 0.00 0.26 0.00 0.00 34.13 32.22 2hw0 s GLU 106 CO -0.06 -0.79 0.59 0.00 -0.54 0.00 0.00 175.26 174.46 2hw0 n GLY 108 N -0.53 -1.61 3.69 0.00 0.00 -1.26 -2.36 105.19 103.11 2hw0 n GLY 108 Ca -0.03 -1.45 -0.23 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.56 3.26 -0.17 4.61 0.00 0.83 -4.77 121.76 123.96 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 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.18 2hw0 s ALA 109 CO 0.00 0.27 1.58 -1.25 0.00 0.00 0.00 175.76 176.36 2hw0 s PRO 110 N -3.68 3.94 0.62 0.00 0.04 -1.26 -4.25 135.00 130.41 2hw0 s PRO 110 Ca 0.32 1.78 -0.16 0.00 0.04 0.00 0.00 61.00 62.98 2hw0 s PRO 110 Cb -0.07 -3.99 -0.02 0.00 0.04 0.00 0.00 34.50 30.46 2hw0 s PRO 110 CO 0.21 -1.12 1.10 1.03 0.04 0.00 0.00 177.00 178.27 2hw0 s ARG 111 N 4.38 3.02 0.31 4.56 1.81 -1.26 -5.02 118.95 126.75 2hw0 s ARG 111 Ca 0.70 1.38 0.07 0.00 -1.72 0.00 0.00 55.73 56.16 2hw0 s ARG 111 Cb -0.26 -1.98 -0.03 0.00 -0.45 0.00 0.00 34.95 32.23 2hw0 s ARG 111 CO 0.27 -1.07 0.28 0.45 -0.68 0.00 0.00 175.30 174.55 2hw0 n SER 112 N -2.13 -0.71 -3.26 0.23 2.88 -1.26 -3.87 113.62 105.50 2hw0 n SER 112 Ca 0.10 -3.05 0.03 0.00 -1.33 0.00 0.00 58.87 54.62 2hw0 n SER 112 Cb 0.52 1.64 -0.03 0.00 -0.75 0.00 0.00 64.21 65.58 2hw0 n SER 112 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2hw0 s GLN 113 N -3.24 0.17 0.00 -1.46 0.74 -1.26 -5.04 119.66 109.56 2hw0 s GLN 113 Ca 0.37 0.39 0.00 0.00 0.05 0.00 0.00 55.36 56.17 2hw0 s GLN 113 Cb 0.02 0.23 0.00 0.00 1.10 0.00 0.00 33.01 34.36 2hw0 s GLN 113 CO 0.26 -0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.33 2hw0 n GLY 114 N 4.93 5.80 3.22 2.59 0.00 -1.26 -5.12 105.19 115.35 2hw0 n GLY 114 Ca -0.08 -1.64 0.13 0.00 0.00 0.00 0.00 46.02 44.43 2hw0 n GLY 114 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2hw0 n GLN 115 N 0.00 -1.90 0.00 1.61 -0.06 -1.26 -5.37 117.38 110.40 2hw0 n GLN 115 Ca 0.00 1.25 0.06 0.00 -2.00 0.00 0.00 57.00 56.31 2hw0 n GLN 115 Cb 0.00 -2.32 0.05 0.00 -4.06 0.00 0.00 30.24 23.91 2hw0 n GLN 115 CO 0.00 0.00 0.00 2.89 -0.20 0.00 0.00 177.06 179.75