#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 0.96 -2.91 3.54 7.64 -1.26 -5.09 113.62 116.50 2hw0 n SER 3 Ca 0.00 0.15 -0.08 0.00 1.01 0.00 0.00 58.87 59.95 2hw0 n SER 3 Cb 0.00 -0.42 0.01 0.00 -1.01 0.00 0.00 64.21 62.79 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 -3.42 -2.56 -1.87 1.43 5.02 -1.26 -4.99 118.16 110.50 2hw0 n LYS 4 Ca -0.04 2.18 -0.30 0.00 -2.02 0.00 0.00 58.31 58.13 2hw0 n LYS 4 Cb 0.15 -4.77 0.06 0.00 -0.02 0.00 0.00 35.03 30.45 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 -2.10 2.66 -0.42 1.97 1.02 -1.26 -5.05 119.74 116.56 2hw0 s LYS 5 Ca 0.15 0.40 0.07 0.00 0.02 0.00 0.00 55.97 56.62 2hw0 s LYS 5 Cb -0.04 -2.00 0.23 0.00 -0.52 0.00 0.00 37.83 35.51 2hw0 s LYS 5 CO 0.72 -1.17 0.57 0.09 -0.92 0.00 0.00 175.35 174.65 2hw0 n ASN 6 N -3.08 -0.63 -4.10 2.83 4.13 -1.26 -5.06 115.26 108.08 2hw0 n ASN 6 Ca 0.07 -2.77 -0.37 0.00 1.68 0.00 0.00 54.58 53.20 2hw0 n ASN 6 Cb 0.58 -0.08 -0.09 0.00 -1.54 0.00 0.00 39.78 38.65 2hw0 n ASN 6 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 2hw0 s GLY 7 N -1.02 2.63 0.21 7.41 0.00 -1.26 -5.06 107.32 110.24 2hw0 s GLY 7 Ca 0.34 -3.39 0.09 0.00 0.00 0.00 0.00 44.72 41.76 2hw0 s GLY 7 CO -0.15 1.13 -0.17 -1.60 0.00 0.00 0.00 173.10 172.31 2hw0 s ARG 8 N -0.33 1.39 0.35 2.90 3.00 -1.26 -5.16 118.95 119.85 2hw0 s ARG 8 Ca 0.19 -1.57 0.09 0.00 -1.00 0.00 0.00 55.73 53.44 2hw0 s ARG 8 Cb -0.17 -1.35 -0.06 0.00 0.00 0.00 0.00 34.95 33.38 2hw0 s ARG 8 CO -0.05 0.25 0.03 -1.12 0.00 0.00 0.00 175.30 174.41 2hw0 s SER 9 N -3.14 4.18 0.00 -2.12 0.01 -1.26 -5.09 113.70 106.28 2hw0 s SER 9 Ca 0.22 -1.03 0.00 0.00 1.31 0.00 0.00 55.95 56.45 2hw0 s SER 9 Cb -0.03 -0.51 0.00 0.00 0.21 0.00 0.00 66.02 65.68 2hw0 s SER 9 CO 0.09 -0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.06 2hw0 n GLY 10 N -0.99 0.66 3.73 3.44 0.00 -1.26 -5.07 105.19 105.70 2hw0 n GLY 10 Ca -0.04 -2.11 -0.42 0.00 0.00 0.00 0.00 46.02 43.46 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 -0.97 4.36 0.40 1.61 0.04 -1.26 -5.03 135.00 134.15 2hw0 s PRO 11 Ca 0.00 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.06 2hw0 s PRO 11 Cb 0.00 -3.23 -0.03 0.00 0.04 0.00 0.00 34.50 31.28 2hw0 s PRO 11 CO 0.00 -0.33 0.63 -0.65 0.04 0.00 0.00 177.00 176.69 2hw0 s GLN 12 N 0.52 3.45 0.56 4.56 -0.21 -1.26 -4.91 119.66 122.38 2hw0 s GLN 12 Ca 0.60 -0.20 -0.19 0.00 0.02 0.00 0.00 55.36 55.60 2hw0 s GLN 12 Cb -0.36 -2.57 -0.05 0.00 1.00 0.00 0.00 33.01 31.03 2hw0 s GLN 12 CO 0.34 -0.00 1.13 -1.25 -2.12 0.00 0.00 175.29 173.38 2hw0 s PRO 13 N -4.47 3.27 0.32 2.91 0.04 -1.26 -4.87 135.00 130.95 2hw0 s PRO 13 Ca 0.43 1.58 0.06 0.00 0.04 0.00 0.00 61.00 63.11 2hw0 s PRO 13 Cb -0.10 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.41 2hw0 s PRO 13 CO 0.39 -0.91 0.25 -1.01 0.04 0.00 0.00 177.00 175.76 2hw0 s HIS 14 N -1.85 1.70 -0.47 0.56 3.76 -0.40 -4.72 115.29 113.88 2hw0 s HIS 14 Ca 0.72 -1.60 0.16 0.00 -0.15 0.00 0.00 55.06 54.18 2hw0 s HIS 14 Cb -0.23 -0.74 0.71 0.00 1.11 0.00 0.00 32.58 33.42 2hw0 s HIS 14 CO 0.29 -0.79 1.62 0.36 -0.85 0.00 0.00 174.74 175.37 2hw0 n LYS 15 N -0.61 4.07 -3.73 1.40 0.00 -1.26 -2.29 118.16 115.74 2hw0 n LYS 15 Ca 0.06 -2.98 -0.16 0.00 -0.00 0.00 0.00 58.31 55.23 2hw0 n LYS 15 Cb 0.63 -2.04 -0.16 0.00 -0.00 0.00 0.00 35.03 33.47 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 -2.49 0.01 -0.16 -1.58 0.52 -1.26 0.00 118.95 114.00 2hw0 s ARG 16 Ca 0.50 0.34 -0.12 0.00 -0.52 0.00 0.00 55.73 55.93 2hw0 s ARG 16 Cb 0.37 -0.27 0.05 0.00 0.52 0.00 0.00 34.95 35.61 2hw0 s ARG 16 CO 0.16 -0.21 0.40 -1.58 0.02 0.00 0.00 175.30 174.09 2hw0 s TRP 17 N 1.46 -0.49 0.27 -0.53 0.52 -0.97 -4.09 118.94 115.11 2hw0 s TRP 17 Ca -0.05 1.14 0.07 0.00 0.02 0.00 0.00 56.10 57.28 2hw0 s TRP 17 Cb -0.12 0.19 -0.03 0.00 -1.15 0.00 0.00 33.47 32.35 2hw0 s TRP 17 CO -0.04 -0.26 0.22 0.14 0.02 0.00 0.00 176.95 177.03 2hw0 s VAL 18 N 0.68 4.24 0.01 4.03 -7.23 0.82 -1.96 120.40 120.98 2hw0 s VAL 18 Ca -0.04 -1.39 0.02 0.00 -1.81 0.00 0.00 61.98 58.76 2hw0 s VAL 18 Cb -0.05 -3.36 -0.01 0.00 0.56 0.00 0.00 36.38 33.52 2hw0 s VAL 18 CO -0.05 -0.31 -0.06 0.72 -0.31 0.00 0.00 175.10 175.10 2hw0 s PHE 19 N -2.17 0.54 -0.16 2.82 -0.71 -0.91 -1.86 117.98 115.53 2hw0 s PHE 19 Ca 0.35 -0.20 -0.08 0.00 -1.04 0.00 0.00 56.93 55.95 2hw0 s PHE 19 Cb -0.07 -0.34 0.06 0.00 -1.21 0.00 0.00 43.02 41.46 2hw0 s PHE 19 CO 0.25 -0.03 0.39 0.95 -1.34 0.00 0.00 175.22 175.44 2hw0 s THR 20 N -0.47 -0.11 -0.01 -4.49 -4.23 0.78 -2.51 115.64 104.60 2hw0 s THR 20 Ca -0.01 0.11 -0.01 0.00 -1.18 0.00 0.00 61.69 60.61 2hw0 s THR 20 Cb -0.04 -0.58 0.01 0.00 1.34 0.00 0.00 72.50 73.22 2hw0 s THR 20 CO -0.00 0.05 0.03 -0.22 -0.54 0.00 0.00 174.62 173.93 2hw0 s LEU 21 N 1.56 1.67 0.14 4.79 2.96 -0.98 -1.33 118.68 127.49 2hw0 s LEU 21 Ca -0.08 0.05 -0.26 0.00 -0.22 0.00 0.00 54.13 53.61 2hw0 s LEU 21 Cb -0.09 0.04 -0.07 0.00 0.50 0.00 0.00 46.19 46.56 2hw0 s LEU 21 CO -0.12 -0.04 0.82 0.21 -1.32 0.00 0.00 176.35 175.89 2hw0 s ASN 22 N 0.33 7.40 -0.90 3.68 2.47 -1.26 -0.95 114.94 125.70 2hw0 s ASN 22 Ca -0.03 1.66 -0.07 0.00 0.42 0.00 0.00 52.86 54.84 2hw0 s ASN 22 Cb -0.04 -2.52 -0.01 0.00 -1.45 0.00 0.00 41.25 37.24 2hw0 s ASN 22 CO -0.01 0.13 0.71 0.59 -3.72 0.00 0.00 177.10 174.80 2hw0 n ASN 23 N 2.00 -6.13 -4.75 -4.21 4.13 0.87 -4.90 115.26 102.27 2hw0 n ASN 23 Ca -0.04 -0.65 -0.41 0.00 1.68 0.00 0.00 54.58 55.16 2hw0 n ASN 23 Cb 0.49 -3.62 -0.03 0.00 -1.54 0.00 0.00 39.78 35.08 2hw0 n ASN 23 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2hw0 s PRO 24 N -4.55 4.43 0.35 3.52 0.04 -1.25 -5.03 135.00 132.51 2hw0 s PRO 24 Ca 0.16 2.05 -0.03 0.00 0.04 0.00 0.00 61.00 63.23 2hw0 s PRO 24 Cb -0.05 -3.15 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 2hw0 s PRO 24 CO 0.83 -0.13 0.60 -1.12 0.04 0.00 0.00 177.00 177.22 2hw0 s SER 25 N -0.21 6.35 0.52 6.66 0.01 -1.26 -4.91 113.70 120.86 2hw0 s SER 25 Ca 0.51 0.65 0.18 0.00 1.31 0.00 0.00 55.95 58.61 2hw0 s SER 25 Cb -0.37 -2.12 1.30 0.00 0.21 0.00 0.00 66.02 65.05 2hw0 s SER 25 CO 0.44 -0.31 2.11 -0.33 0.41 0.00 0.00 173.24 175.56 2hw0 h GLU 26 N 1.01 0.00 -0.02 12.44 5.08 -1.98 0.12 114.58 131.23 2hw0 h GLU 26 Ca -0.48 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 2hw0 h GLU 26 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2hw0 h GLU 26 CO 0.63 0.00 -0.05 -0.44 -1.00 0.00 0.00 179.01 178.15 2hw0 h ASP 27 N 0.00 0.08 -0.15 1.42 3.32 -1.98 -1.73 116.42 117.38 2hw0 h ASP 27 Ca 0.06 -0.57 -0.02 0.00 0.02 0.00 0.00 57.03 56.52 2hw0 h ASP 27 Cb 0.26 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2hw0 h ASP 27 CO -0.00 0.64 -0.00 -0.08 -1.72 0.00 0.00 179.24 178.08 2hw0 h GLU 28 N -0.47 0.26 -0.63 3.56 4.57 -1.82 -1.73 114.58 118.32 2hw0 h GLU 28 Ca 0.00 -0.08 0.01 0.00 -1.18 0.00 0.00 59.36 58.10 2hw0 h GLU 28 Cb 0.63 -0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.16 2hw0 h GLU 28 CO 0.01 0.49 0.42 0.00 -1.18 0.00 0.00 179.01 178.75 2hw0 h ARG 29 N -0.00 0.83 -0.23 1.92 3.08 -0.88 -1.85 114.38 117.25 2hw0 h ARG 29 Ca 0.04 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 2hw0 h ARG 29 Cb 0.38 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2hw0 h ARG 29 CO 0.01 0.55 -0.45 -0.22 -1.07 0.00 0.00 179.97 178.79 2hw0 h LYS 30 N 0.86 0.59 0.20 0.04 3.64 -1.16 -1.14 116.57 119.59 2hw0 h LYS 30 Ca 0.23 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2hw0 h LYS 30 Cb -0.10 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 2hw0 h LYS 30 CO -0.05 0.92 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.74 2hw0 h LYS 31 N 0.47 -0.26 -0.57 1.90 3.11 -0.51 0.28 116.57 121.00 2hw0 h LYS 31 Ca 0.03 0.02 -0.10 0.00 -2.81 0.00 0.00 60.65 57.79 2hw0 h LYS 31 Cb 0.97 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.24 2hw0 h LYS 31 CO 0.09 -0.08 -0.04 0.82 -2.81 0.00 0.00 179.45 177.43 2hw0 h ILE 32 N -0.38 1.26 0.00 2.00 2.04 -1.45 -2.05 117.51 118.94 2hw0 h ILE 32 Ca -0.03 -1.17 -0.01 0.00 1.00 0.00 0.00 64.86 64.65 2hw0 h ILE 32 Cb 0.29 0.86 -0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2hw0 h ILE 32 CO 0.04 0.42 -0.07 -0.09 0.00 0.00 0.00 178.15 178.45 2hw0 h ARG 33 N 0.92 0.00 -0.61 2.37 2.43 -1.10 -2.48 114.38 115.91 2hw0 h ARG 33 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 2hw0 h ARG 33 Cb 0.58 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2hw0 h ARG 33 CO 0.03 0.07 0.00 -3.47 -1.51 0.00 0.00 179.97 175.10 2hw0 n ASP 34 N -3.19 3.67 -4.72 -3.80 2.03 0.97 -4.98 116.55 106.54 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 -0.41 0.13 0.00 -0.72 0.00 0.00 41.12 40.49 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 -1.15 2.87 -0.13 -2.67 1.43 -0.81 -4.93 118.68 113.28 2hw0 s LEU 35 Ca 0.45 1.94 -0.29 0.00 -1.03 0.00 0.00 54.13 55.19 2hw0 s LEU 35 Cb 0.24 -4.48 -0.04 0.00 0.03 0.00 0.00 46.19 41.94 2hw0 s LEU 35 CO 0.32 -2.53 1.55 -2.16 0.23 0.00 0.00 176.35 173.75 2hw0 s PRO 36 N -4.80 4.08 0.27 1.29 0.04 -1.26 -4.90 135.00 129.72 2hw0 s PRO 36 Ca 0.64 1.90 0.04 0.00 0.04 0.00 0.00 61.00 63.61 2hw0 s PRO 36 Cb -0.20 -3.95 0.38 0.00 0.04 0.00 0.00 34.50 30.78 2hw0 s PRO 36 CO 0.57 -0.95 1.67 -0.84 0.04 0.00 0.00 177.00 177.49 2hw0 h ILE 37 N 5.73 1.30 0.00 0.56 3.07 -1.92 -2.63 117.51 123.63 2hw0 h ILE 37 Ca -0.34 -1.51 -0.01 0.00 1.55 0.00 0.00 64.86 64.55 2hw0 h ILE 37 Cb 1.15 1.61 -0.00 0.00 -0.27 0.00 0.00 36.82 39.31 2hw0 h ILE 37 CO 0.97 0.46 -0.05 0.28 -1.05 0.00 0.00 178.15 178.76 2hw0 h SER 38 N 0.30 0.00 0.76 2.16 0.02 -1.99 -2.26 113.55 112.54 2hw0 h SER 38 Ca 0.03 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 2hw0 h SER 38 Cb 0.82 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.35 2hw0 h SER 38 CO 0.07 0.05 -0.58 0.25 -1.14 0.00 0.00 176.83 175.48 2hw0 h LEU 39 N 0.00 0.00 -7.77 5.07 6.46 -1.87 -3.42 115.31 113.79 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 0.40 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 39.96 2hw0 h LEU 39 CO 0.01 0.58 -0.81 -0.36 -0.62 0.00 0.00 178.44 177.24 2hw0 s PHE 40 N -3.50 2.33 0.55 1.25 0.40 -0.85 -2.49 117.98 115.67 2hw0 s PHE 40 Ca -0.00 -1.53 0.29 0.00 -0.60 0.00 0.00 56.93 55.08 2hw0 s PHE 40 Cb 0.12 -1.60 1.46 0.00 0.51 0.00 0.00 43.02 43.51 2hw0 s PHE 40 CO 0.75 -0.73 1.94 -0.44 0.70 0.00 0.00 175.22 177.43 2hw0 h ASP 41 N 7.99 0.00 -3.40 1.36 3.32 -1.65 -3.39 116.42 120.66 2hw0 h ASP 41 Ca -0.27 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.42 2hw0 h ASP 41 Cb 1.10 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.28 2hw0 h ASP 41 CO 0.47 0.00 -0.74 -0.47 -1.72 0.00 0.00 179.24 176.77 2hw0 s TYR 42 N -4.87 0.21 -0.14 4.55 5.04 -1.24 -1.33 117.35 119.57 2hw0 s TYR 42 Ca -0.05 0.10 -0.02 0.00 -2.44 0.00 0.00 57.07 54.67 2hw0 s TYR 42 Cb 0.19 -0.46 0.04 0.00 0.35 0.00 0.00 41.96 42.08 2hw0 s TYR 42 CO 0.68 -0.17 -0.01 0.12 -1.34 0.00 0.00 175.55 174.83 2hw0 s PHE 43 N 1.60 1.12 -0.09 4.97 2.19 -1.01 -0.06 117.98 126.70 2hw0 s PHE 43 Ca -0.02 -0.68 -0.02 0.00 0.33 0.00 0.00 56.93 56.54 2hw0 s PHE 43 Cb -0.13 -1.05 0.04 0.00 -1.31 0.00 0.00 43.02 40.57 2hw0 s PHE 43 CO -0.03 -0.51 0.03 -1.50 1.83 0.00 0.00 175.22 175.04 2hw0 s ILE 44 N 1.82 0.21 0.03 3.12 2.07 -0.43 -0.95 121.20 127.09 2hw0 s ILE 44 Ca 0.02 0.10 0.08 0.00 -1.41 0.00 0.00 60.65 59.43 2hw0 s ILE 44 Cb -0.15 -0.49 -0.02 0.00 0.13 0.00 0.00 42.46 41.93 2hw0 s ILE 44 CO -0.07 0.13 -0.22 -0.69 -1.91 0.00 0.00 174.94 172.17 2hw0 s VAL 45 N 2.03 1.81 -0.01 4.00 1.01 -0.48 0.06 120.40 128.81 2hw0 s VAL 45 Ca 0.04 -1.21 0.01 0.00 0.00 0.00 0.00 61.98 60.82 2hw0 s VAL 45 Cb -0.13 -1.55 0.01 0.00 0.00 0.00 0.00 36.38 34.70 2hw0 s VAL 45 CO -0.05 0.29 -0.03 -0.83 0.00 0.00 0.00 175.10 174.49 2hw0 s GLY 46 N -1.09 0.21 -0.11 4.51 0.00 -0.63 -0.74 107.32 109.47 2hw0 s GLY 46 Ca 0.09 -0.05 -0.13 0.00 0.00 0.00 0.00 44.72 44.62 2hw0 s GLY 46 CO 0.01 0.12 0.32 1.85 0.00 0.00 0.00 173.10 175.40 2hw0 s GLU 47 N 0.29 4.06 -0.27 2.90 2.56 -0.26 -2.32 118.70 125.67 2hw0 s GLU 47 Ca -0.03 0.18 0.01 0.00 0.00 0.00 0.00 54.97 55.13 2hw0 s GLU 47 Cb -0.06 -3.34 0.07 0.00 2.00 0.00 0.00 34.13 32.80 2hw0 s GLU 47 CO -0.01 0.43 -0.02 -2.00 -0.56 0.00 0.00 175.26 173.10 2hw0 s GLU 48 N -0.13 1.54 0.00 4.30 2.12 -0.62 -4.03 118.70 121.88 2hw0 s GLU 48 Ca 0.19 -1.19 0.00 0.00 0.36 0.00 0.00 54.97 54.32 2hw0 s GLU 48 Cb -0.14 -2.66 0.00 0.00 0.26 0.00 0.00 34.13 31.60 2hw0 s GLU 48 CO 0.07 -0.70 0.00 0.41 -0.54 0.00 0.00 175.26 174.49 2hw0 n GLY 49 N 4.59 0.00 2.21 -1.50 0.00 -1.26 -0.63 105.19 108.61 2hw0 n GLY 49 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 5.45 -3.77 1.61 2.85 -1.26 -4.64 115.26 115.50 2hw0 n ASN 50 Ca 0.00 -3.70 -0.21 0.00 -0.11 0.00 0.00 54.58 50.55 2hw0 n ASN 50 Cb 0.00 -0.88 -0.17 0.00 1.24 0.00 0.00 39.78 39.97 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 -3.54 0.47 0.45 1.20 2.02 -1.26 -5.13 118.70 112.91 2hw0 s GLU 51 Ca 0.60 0.13 -0.23 0.00 0.02 0.00 0.00 54.97 55.49 2hw0 s GLU 51 Cb 0.49 -0.82 -0.10 0.00 0.10 0.00 0.00 34.13 33.80 2hw0 s GLU 51 CO 0.05 -0.27 0.93 -1.91 0.02 0.00 0.00 175.26 174.08 2hw0 n GLU 52 N 4.95 1.17 0.00 1.61 2.13 -1.26 -1.88 120.64 127.36 2hw0 n GLU 52 Ca -0.10 0.42 0.00 0.00 0.66 0.00 0.00 57.16 58.14 2hw0 n GLU 52 Cb 0.50 -1.98 0.00 0.00 0.27 0.00 0.00 31.44 30.24 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 1.29 3.02 3.51 8.31 0.00 -1.26 -5.02 105.19 115.05 2hw0 n GLY 53 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.58 1.99 0.37 1.61 3.52 -0.79 -5.13 118.95 119.94 2hw0 s ARG 54 Ca 0.00 -1.06 -0.02 0.00 -0.13 0.00 0.00 55.73 54.52 2hw0 s ARG 54 Cb 0.00 -2.21 -0.04 0.00 -1.56 0.00 0.00 34.95 31.15 2hw0 s ARG 54 CO 0.00 0.51 0.61 0.95 -0.81 0.00 0.00 175.30 176.56 2hw0 s THR 55 N -1.10 5.04 0.26 4.11 -4.23 -1.26 -4.75 115.64 113.71 2hw0 s THR 55 Ca 0.18 -0.20 -0.29 0.00 -1.18 0.00 0.00 61.69 60.19 2hw0 s THR 55 Cb -0.11 -3.84 -0.09 0.00 1.34 0.00 0.00 72.50 69.80 2hw0 s THR 55 CO 0.10 -0.60 1.26 -2.16 -0.54 0.00 0.00 174.62 172.68 2hw0 s PRO 56 N -4.30 4.43 -0.00 3.99 0.04 -1.26 -4.57 135.00 133.33 2hw0 s PRO 56 Ca 0.43 2.06 -0.00 0.00 0.04 0.00 0.00 61.00 63.52 2hw0 s PRO 56 Cb -0.10 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2hw0 s PRO 56 CO 0.37 -0.13 0.00 -1.58 0.04 0.00 0.00 177.00 175.71 2hw0 s HIS 57 N -0.61 -0.00 -0.08 0.56 2.46 0.20 -0.09 115.29 117.74 2hw0 s HIS 57 Ca 0.51 0.01 -0.15 0.00 0.47 0.00 0.00 55.06 55.90 2hw0 s HIS 57 Cb -0.37 -0.00 -0.05 0.00 -0.13 0.00 0.00 32.58 32.03 2hw0 s HIS 57 CO 0.44 -0.00 0.39 -1.17 -2.47 0.00 0.00 174.74 171.93 2hw0 s LEU 58 N 0.02 4.36 -0.24 8.88 0.20 -0.13 -1.60 118.68 130.18 2hw0 s LEU 58 Ca -0.00 0.80 -0.04 0.00 0.69 0.00 0.00 54.13 55.58 2hw0 s LEU 58 Cb -0.00 -2.55 0.13 0.00 -0.43 0.00 0.00 46.19 43.34 2hw0 s LEU 58 CO -0.00 0.18 0.42 -1.58 -0.29 0.00 0.00 176.35 175.08 2hw0 s GLN 59 N -0.22 0.37 0.32 1.98 2.00 -0.98 -2.31 119.66 120.82 2hw0 s GLN 59 Ca 0.22 0.75 -0.12 0.00 -2.00 0.00 0.00 55.36 54.21 2hw0 s GLN 59 Cb -0.15 -0.11 0.02 0.00 0.80 0.00 0.00 33.01 33.57 2hw0 s GLN 59 CO 0.10 -0.52 0.60 0.20 -0.50 0.00 0.00 175.29 175.17 2hw0 s GLY 60 N 2.61 0.65 -0.00 2.59 0.00 -1.04 -1.60 107.32 110.53 2hw0 s GLY 60 Ca 0.09 -0.93 0.03 0.00 0.00 0.00 0.00 44.72 43.92 2hw0 s GLY 60 CO -0.16 -0.56 -0.11 -0.12 0.00 0.00 0.00 173.10 172.16 2hw0 s PHE 61 N -3.26 0.94 -0.06 1.90 5.36 0.11 -2.13 117.98 120.84 2hw0 s PHE 61 Ca 0.21 -0.20 0.00 0.00 -0.96 0.00 0.00 56.93 55.98 2hw0 s PHE 61 Cb -0.03 -0.60 0.02 0.00 -0.34 0.00 0.00 43.02 42.08 2hw0 s PHE 61 CO 0.12 -0.01 -0.03 0.00 -1.46 0.00 0.00 175.22 173.84 2hw0 s ALA 62 N -0.32 0.71 -0.35 11.12 0.00 -0.83 -1.31 121.76 130.78 2hw0 s ALA 62 Ca 0.03 -0.10 -0.20 0.00 0.00 0.00 0.00 51.96 51.69 2hw0 s ALA 62 Cb -0.04 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.53 2hw0 s ALA 62 CO -0.00 -0.18 0.63 1.21 0.00 0.00 0.00 175.76 177.42 2hw0 s ASN 63 N 1.31 6.43 0.01 0.00 3.84 0.92 -2.30 114.94 125.16 2hw0 s ASN 63 Ca -0.05 0.18 -0.30 0.00 0.21 0.00 0.00 52.86 52.89 2hw0 s ASN 63 Cb -0.14 -2.33 -0.05 0.00 -0.55 0.00 0.00 41.25 38.19 2hw0 s ASN 63 CO -0.02 -0.58 1.30 -0.36 -2.79 0.00 0.00 177.10 174.65 2hw0 s PHE 64 N 2.69 3.12 0.57 0.43 0.08 0.10 -2.40 117.98 122.56 2hw0 s PHE 64 Ca 0.24 1.05 0.34 0.00 0.12 0.00 0.00 56.93 58.68 2hw0 s PHE 64 Cb -0.15 -3.55 1.94 0.00 -0.57 0.00 0.00 43.02 40.70 2hw0 s PHE 64 CO 0.14 -1.88 2.26 0.28 -0.10 0.00 0.00 175.22 175.92 2hw0 h VAL 65 N 4.77 0.35 -4.39 -0.44 2.07 -1.76 -3.42 116.25 113.43 2hw0 h VAL 65 Ca -0.38 -0.11 -0.37 0.00 0.82 0.00 0.00 66.70 66.66 2hw0 h VAL 65 Cb 1.19 1.07 -0.08 0.00 -1.52 0.00 0.00 31.29 31.95 2hw0 h VAL 65 CO 0.87 0.02 -0.29 0.29 0.02 0.00 0.00 177.57 178.48 2hw0 n LYS 66 N -3.55 0.98 -3.14 1.57 4.01 -1.26 -5.01 118.16 111.75 2hw0 n LYS 66 Ca -0.03 -2.18 -0.40 0.00 -0.51 0.00 0.00 58.31 55.18 2hw0 n LYS 66 Cb 0.11 0.89 -0.07 0.00 -0.51 0.00 0.00 35.03 35.45 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 4.10 0.09 1.97 -0.14 -1.26 -4.21 119.74 117.26 2hw0 s LYS 67 Ca 0.07 0.49 0.04 0.00 -1.36 0.00 0.00 55.97 55.21 2hw0 s LYS 67 Cb 0.00 -3.65 -0.03 0.00 -1.68 0.00 0.00 37.83 32.47 2hw0 s LYS 67 CO 0.05 -0.40 -0.12 -0.65 -0.76 0.00 0.00 175.35 173.47 2hw0 s GLN 68 N 2.45 0.84 0.60 1.68 -1.52 -0.97 -4.86 119.66 117.88 2hw0 s GLN 68 Ca 0.25 -1.08 0.01 0.00 -1.95 0.00 0.00 55.36 52.59 2hw0 s GLN 68 Cb -0.16 -0.66 0.06 0.00 -0.22 0.00 0.00 33.01 32.03 2hw0 s GLN 68 CO 0.09 0.12 0.84 0.95 -0.25 0.00 0.00 175.29 177.04 2hw0 s THR 69 N -1.97 2.50 0.05 -0.19 -4.23 -1.26 -1.27 115.64 109.27 2hw0 s THR 69 Ca 0.03 -0.65 -0.28 0.00 -1.18 0.00 0.00 61.69 59.60 2hw0 s THR 69 Cb -0.06 -2.85 -0.17 0.00 1.34 0.00 0.00 72.50 70.76 2hw0 s THR 69 CO 0.01 0.00 1.51 0.15 -0.54 0.00 0.00 174.62 175.75 2hw0 h PHE 70 N -0.09 -0.51 -0.83 3.99 3.57 -1.90 0.32 116.94 121.48 2hw0 h PHE 70 Ca -0.40 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.06 2hw0 h PHE 70 Cb 1.29 0.17 -0.04 0.00 2.79 0.00 0.00 35.95 40.16 2hw0 h PHE 70 CO 0.23 -0.25 0.42 -0.97 -2.23 0.00 0.00 178.31 175.50 2hw0 h ASN 71 N -0.68 1.07 -0.15 0.41 -0.73 -1.99 -2.66 115.58 110.85 2hw0 h ASN 71 Ca -0.06 -0.13 -0.02 0.00 1.87 0.00 0.00 56.30 57.97 2hw0 h ASN 71 Cb 0.49 -0.28 -0.01 0.00 0.27 0.00 0.00 38.32 38.80 2hw0 h ASN 71 CO 0.09 0.90 0.02 0.50 -0.37 0.00 0.00 177.43 178.57 2hw0 h LYS 72 N 1.17 0.25 -0.39 6.67 3.11 -1.93 -2.70 116.57 122.76 2hw0 h LYS 72 Ca 0.29 -0.07 0.11 0.00 -2.81 0.00 0.00 60.65 58.17 2hw0 h LYS 72 Cb 0.09 -0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.28 2hw0 h LYS 72 CO -0.04 0.45 0.34 0.28 -2.81 0.00 0.00 179.45 177.67 2hw0 h VAL 73 N 0.02 0.56 0.00 2.00 2.07 -0.17 0.31 116.25 121.04 2hw0 h VAL 73 Ca 0.04 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.56 2hw0 h VAL 73 Cb 0.32 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 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 -4.03 0.07 0.29 1.57 5.02 -1.02 -1.85 118.16 118.21 2hw0 n LYS 74 Ca 0.06 0.44 0.19 0.00 -2.02 0.00 0.00 58.31 56.98 2hw0 n LYS 74 Cb 0.52 -1.67 0.83 0.00 -0.02 0.00 0.00 35.03 34.69 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 -0.50 0.17 115.95 122.83 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 0.15 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 -1.50 0.66 -1.28 0.00 0.00 178.44 176.32 2hw0 n TYR 76 N -3.05 0.00 0.61 0.12 4.01 -0.77 -4.61 117.16 113.47 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 0.23 -0.34 0.43 0.00 -0.31 0.00 0.00 39.34 39.36 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 0.25 -0.80 7.72 4.77 -1.04 -4.95 117.00 119.50 2hw0 n LEU 77 Ca -0.19 0.55 0.04 0.00 -0.03 0.00 0.00 56.01 56.38 2hw0 n LEU 77 Cb 0.62 -0.50 -0.02 0.00 -2.33 0.00 0.00 43.42 41.19 2hw0 n LEU 77 CO 0.01 -0.25 -0.30 0.61 -1.33 0.00 0.00 177.39 176.13 2hw0 n GLY 78 N 0.51 -3.26 0.12 -0.72 0.00 0.60 -4.22 105.19 98.21 2hw0 n GLY 78 Ca 0.04 -1.15 -0.01 0.00 0.00 0.00 0.00 46.02 44.90 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 -0.32 0.74 -0.82 4.61 0.00 -1.95 -3.19 119.26 118.33 2hw0 h ALA 79 Ca -0.05 -0.62 0.19 0.00 0.00 0.00 0.00 54.91 54.42 2hw0 h ALA 79 Cb 0.62 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 2hw0 h ALA 79 CO 0.02 0.86 0.55 0.00 0.00 0.00 0.00 179.25 180.68 2hw0 h ARG 80 N 0.00 0.32 -5.74 0.00 3.08 -1.94 -3.40 114.38 106.70 2hw0 h ARG 80 Ca -0.01 -0.02 -0.65 0.00 0.07 0.00 0.00 59.98 59.37 2hw0 h ARG 80 Cb 1.31 -0.07 -0.06 0.00 0.08 0.00 0.00 29.97 31.23 2hw0 h ARG 80 CO 0.09 0.21 -0.44 0.00 -1.07 0.00 0.00 179.97 178.76 2hw0 s HIS 82 N -1.12 3.54 0.07 0.00 2.46 -0.44 -4.85 115.29 114.95 2hw0 s HIS 82 Ca 0.20 1.48 0.09 0.00 0.47 0.00 0.00 55.06 57.30 2hw0 s HIS 82 Cb -0.13 -3.06 -0.03 0.00 -0.13 0.00 0.00 32.58 29.23 2hw0 s HIS 82 CO 0.09 -0.12 -0.23 0.96 -2.47 0.00 0.00 174.74 172.98 2hw0 s ILE 83 N 1.57 2.47 0.16 0.89 -4.36 -1.26 -0.16 121.20 120.52 2hw0 s ILE 83 Ca 0.45 -1.41 -0.10 0.00 -0.26 0.00 0.00 60.65 59.32 2hw0 s ILE 83 Cb -0.18 -2.04 -0.00 0.00 1.25 0.00 0.00 42.46 41.49 2hw0 s ILE 83 CO 0.19 0.27 0.31 -0.70 0.24 0.00 0.00 174.94 175.25 2hw0 s GLU 84 N -1.59 1.15 0.11 0.37 2.12 -0.78 -4.97 118.70 115.11 2hw0 s GLU 84 Ca 0.14 -1.08 -0.30 0.00 0.36 0.00 0.00 54.97 54.09 2hw0 s GLU 84 Cb -0.10 0.40 -0.06 0.00 0.26 0.00 0.00 34.13 34.62 2hw0 s GLU 84 CO 0.05 -0.43 1.11 0.15 -0.54 0.00 0.00 175.26 175.60 2hw0 s LYS 85 N -3.93 4.54 0.44 4.30 1.02 -1.26 -0.13 119.74 124.71 2hw0 s LYS 85 Ca 0.14 1.69 -0.06 0.00 0.02 0.00 0.00 55.97 57.75 2hw0 s LYS 85 Cb 0.03 -3.33 -0.04 0.00 -0.52 0.00 0.00 37.83 33.96 2hw0 s LYS 85 CO -0.02 -0.06 0.76 0.00 -0.92 0.00 0.00 175.35 175.11 2hw0 s ALA 86 N 0.40 3.41 0.00 5.17 0.00 -1.26 -4.84 121.76 124.65 2hw0 s ALA 86 Ca 0.53 -0.44 -0.04 0.00 0.00 0.00 0.00 51.96 52.01 2hw0 s ALA 86 Cb -0.28 -2.58 -0.01 0.00 0.00 0.00 0.00 23.12 20.25 2hw0 s ALA 86 CO 0.32 -0.21 0.06 -1.59 0.00 0.00 0.00 175.76 174.35 2hw0 s LYS 87 N -4.40 0.36 0.00 0.00 -2.85 -1.26 -4.96 119.74 106.63 2hw0 s LYS 87 Ca 0.48 -0.40 0.00 0.00 -1.00 0.00 0.00 55.97 55.05 2hw0 s LYS 87 Cb -0.10 0.14 0.00 0.00 -2.06 0.00 0.00 37.83 35.81 2hw0 s LYS 87 CO 0.40 -0.07 0.00 0.41 0.10 0.00 0.00 175.35 176.18 2hw0 n GLY 88 N 1.75 -1.03 3.95 0.59 0.00 -1.26 -4.75 105.19 104.44 2hw0 n GLY 88 Ca -0.22 -2.24 -0.26 0.00 0.00 0.00 0.00 46.02 43.30 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 -0.83 2.18 0.28 2.61 -4.23 -1.26 -4.86 115.64 109.54 2hw0 s THR 89 Ca 0.00 -0.31 0.01 0.00 -1.18 0.00 0.00 61.69 60.20 2hw0 s THR 89 Cb 0.00 -2.87 0.28 0.00 1.34 0.00 0.00 72.50 71.25 2hw0 s THR 89 CO 0.00 0.00 1.84 -2.24 -0.54 0.00 0.00 174.62 173.68 2hw0 h ASP 90 N -0.81 0.92 -0.06 3.99 2.03 -1.87 -0.60 116.42 120.04 2hw0 h ASP 90 Ca -0.42 0.05 -0.13 0.00 -0.73 0.00 0.00 57.03 55.80 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 0.49 0.50 -0.38 1.56 -1.03 0.00 0.00 179.24 180.37 2hw0 h GLN 91 N 1.00 0.57 -0.55 4.15 1.08 -1.93 -0.59 115.11 118.83 2hw0 h GLN 91 Ca 0.49 -0.28 -0.06 0.00 -1.45 0.00 0.00 58.65 57.35 2hw0 h GLN 91 Cb 0.46 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 2hw0 h GLN 91 CO -0.26 0.86 0.10 1.96 -0.95 0.00 0.00 178.83 180.54 2hw0 h GLN 92 N 0.47 0.87 0.08 1.46 4.20 -1.50 0.80 115.11 121.50 2hw0 h GLN 92 Ca 0.04 -0.20 -0.17 0.00 0.06 0.00 0.00 58.65 58.38 2hw0 h GLN 92 Cb 0.88 -0.12 0.02 0.00 0.30 0.00 0.00 27.48 28.55 2hw0 h GLN 92 CO 0.08 0.81 -0.71 -0.91 -0.67 0.00 0.00 178.83 177.42 2hw0 h ASN 93 N 0.83 0.49 -0.47 1.46 -0.26 -1.17 -1.95 115.58 114.51 2hw0 h ASN 93 Ca 0.17 -0.87 -0.01 0.00 -0.56 0.00 0.00 56.30 55.03 2hw0 h ASN 93 Cb 0.36 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.44 2hw0 h ASN 93 CO 0.01 1.31 0.24 0.50 -1.06 0.00 0.00 177.43 178.43 2hw0 h LYS 94 N -0.27 0.66 -0.21 0.81 3.64 -1.03 -2.21 116.57 117.96 2hw0 h LYS 94 Ca -0.11 -0.09 -0.15 0.00 -1.27 0.00 0.00 60.65 59.04 2hw0 h LYS 94 Cb 1.49 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 2hw0 h LYS 94 CO 0.14 0.54 -0.47 0.93 -2.27 0.00 0.00 179.45 178.31 2hw0 h GLU 95 N 0.61 0.56 -0.24 1.90 4.39 -0.94 -2.58 114.58 118.28 2hw0 h GLU 95 Ca 0.16 -0.31 0.02 0.00 0.34 0.00 0.00 59.36 59.57 2hw0 h GLU 95 Cb 0.09 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 2hw0 h GLU 95 CO -0.02 0.91 0.08 -0.92 -1.16 0.00 0.00 179.01 177.90 2hw0 h TYR 96 N 0.44 0.15 -0.29 4.33 5.03 -1.06 0.26 116.97 125.84 2hw0 h TYR 96 Ca 0.03 0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.26 2hw0 h TYR 96 Cb 0.99 -0.03 -0.01 0.00 1.55 0.00 0.00 36.73 39.22 2hw0 h TYR 96 CO 0.04 0.07 -0.20 0.00 -1.32 0.00 0.00 178.16 176.75 2hw0 n SER 98 N -4.15 0.50 0.27 0.00 3.41 -0.88 -3.33 113.62 109.44 2hw0 n SER 98 Ca 0.00 0.56 0.18 0.00 -0.26 0.00 0.00 58.87 59.35 2hw0 n SER 98 Cb 0.38 -0.69 0.94 0.00 -0.26 0.00 0.00 64.21 64.58 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 0.14 0.21 116.57 124.88 2hw0 h LYS 99 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 2hw0 h LYS 99 Cb 0.59 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2hw0 h LYS 99 CO 0.00 0.00 -0.14 0.93 -2.27 0.00 0.00 179.45 177.97 2hw0 h GLU 100 N 0.00 0.00 0.00 1.90 5.08 -1.72 -3.47 114.58 116.37 2hw0 h GLU 100 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 2hw0 h GLU 100 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2hw0 h GLU 100 CO -0.00 0.14 0.00 0.41 -1.00 0.00 0.00 179.01 178.56 2hw0 n GLY 101 N 0.31 1.18 2.85 -3.84 0.00 0.72 -4.91 105.19 101.50 2hw0 n GLY 101 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.10 1.45 -0.14 1.61 -0.87 -1.26 -5.09 114.94 107.54 2hw0 s ASN 102 Ca 0.00 -0.14 -0.12 0.00 -1.57 0.00 0.00 52.86 51.03 2hw0 s ASN 102 Cb 0.00 -0.52 -0.05 0.00 -0.02 0.00 0.00 41.25 40.66 2hw0 s ASN 102 CO 0.00 -0.12 0.24 -0.76 -2.57 0.00 0.00 177.10 173.89 2hw0 s LEU 103 N 1.50 4.30 -0.22 0.60 2.01 -1.26 -1.10 118.68 124.51 2hw0 s LEU 103 Ca -0.02 0.51 0.12 0.00 0.01 0.00 0.00 54.13 54.75 2hw0 s LEU 103 Cb -0.13 -2.28 -0.22 0.00 0.01 0.00 0.00 46.19 43.57 2hw0 s LEU 103 CO -0.03 0.22 -0.04 -0.11 1.01 0.00 0.00 176.35 177.40 2hw0 n LEU 104 N 2.95 1.08 -3.65 1.79 7.94 0.08 -4.66 117.00 122.53 2hw0 n LEU 104 Ca -0.15 -0.05 -0.12 0.00 -1.11 0.00 0.00 56.01 54.58 2hw0 n LEU 104 Cb 0.53 -0.01 -0.08 0.00 0.53 0.00 0.00 43.42 44.39 2hw0 n LEU 104 CO 0.37 0.65 0.32 -0.32 -1.11 0.00 0.00 177.39 177.30 2hw0 s MET 105 N -2.49 0.72 -0.26 1.96 0.00 -0.84 -4.97 119.30 113.42 2hw0 s MET 105 Ca -0.19 0.96 -0.01 0.00 0.00 0.00 0.00 55.69 56.46 2hw0 s MET 105 Cb 0.07 0.29 0.08 0.00 0.00 0.00 0.00 34.83 35.27 2hw0 s MET 105 CO 0.73 -0.11 0.03 -2.00 0.00 0.00 0.00 175.02 173.67 2hw0 s GLU 106 N 0.70 1.03 0.30 4.11 2.12 -1.26 -1.38 118.70 124.33 2hw0 s GLU 106 Ca -0.03 -0.93 -0.01 0.00 0.36 0.00 0.00 54.97 54.37 2hw0 s GLU 106 Cb -0.05 -2.30 -0.01 0.00 0.26 0.00 0.00 34.13 32.03 2hw0 s GLU 106 CO -0.05 -0.77 0.36 0.00 -0.54 0.00 0.00 175.26 174.26 2hw0 n GLY 108 N -0.51 -1.60 3.68 0.00 0.00 -1.26 -2.41 105.19 103.09 2hw0 n GLY 108 Ca 0.03 -1.15 -0.27 0.00 0.00 0.00 0.00 46.02 44.63 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 -1.94 3.25 -0.98 4.61 0.00 -0.44 -4.74 121.76 121.52 2hw0 s ALA 109 Ca 0.00 -1.34 -0.23 0.00 0.00 0.00 0.00 51.96 50.39 2hw0 s ALA 109 Cb 0.00 -1.04 -0.13 0.00 0.00 0.00 0.00 23.12 21.95 2hw0 s ALA 109 CO 0.00 0.49 1.92 -0.35 0.00 0.00 0.00 175.76 177.82 2hw0 n PRO 110 N -0.14 1.52 -4.39 0.00 -0.04 -1.26 -4.39 135.00 126.30 2hw0 n PRO 110 Ca -0.09 -2.17 -0.26 0.00 -0.04 0.00 0.00 63.50 60.94 2hw0 n PRO 110 Cb 0.55 -3.36 -0.12 0.00 -0.04 0.00 0.00 33.50 30.54 2hw0 n PRO 110 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2hw0 s ARG 111 N 5.87 1.43 0.00 0.54 1.70 -1.26 -4.79 118.95 122.44 2hw0 s ARG 111 Ca 0.64 -1.47 0.00 0.00 -0.47 0.00 0.00 55.73 54.43 2hw0 s ARG 111 Cb 0.06 -1.70 0.00 0.00 -0.57 0.00 0.00 34.95 32.74 2hw0 s ARG 111 CO 0.14 0.37 0.00 0.45 -1.08 0.00 0.00 175.30 175.17 2hw0 n SER 112 N 0.34 0.00 -4.43 -2.89 2.88 -1.26 -4.60 113.62 103.66 2hw0 n SER 112 Ca -0.13 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.12 2hw0 n SER 112 Cb 0.56 0.00 0.15 0.00 -0.75 0.00 0.00 64.21 64.17 2hw0 n SER 112 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2hw0 s GLN 113 N -0.64 1.15 0.00 -1.46 -0.21 -1.26 -4.97 119.66 112.27 2hw0 s GLN 113 Ca 0.00 -0.26 0.00 0.00 0.02 0.00 0.00 55.36 55.12 2hw0 s GLN 113 Cb 0.00 -1.91 0.00 0.00 1.00 0.00 0.00 33.01 32.10 2hw0 s GLN 113 CO 0.00 -2.08 0.61 0.41 -2.12 0.00 0.00 175.29 172.10 2hw0 n GLY 114 N -3.56 0.56 0.13 3.09 0.00 -1.26 -4.97 105.19 99.17 2hw0 n GLY 114 Ca 0.13 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.96 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 0.65 0.00 1.61 -0.06 -1.26 -5.25 117.38 113.07 2hw0 n GLN 115 Ca -0.11 0.16 0.00 0.00 -2.00 0.00 0.00 57.00 55.05 2hw0 n GLN 115 Cb 0.51 -1.52 0.00 0.00 -4.06 0.00 0.00 30.24 25.16 2hw0 n GLN 115 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73