#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 -0.13 -0.19 3.54 0.01 -1.26 -5.15 113.70 110.52 2hw0 s SER 3 Ca 0.00 -0.25 -0.03 0.00 1.31 0.00 0.00 55.95 56.98 2hw0 s SER 3 Cb 0.00 0.38 0.06 0.00 0.21 0.00 0.00 66.02 66.68 2hw0 s SER 3 CO 0.00 -0.68 0.06 -0.54 0.41 0.00 0.00 173.24 172.49 2hw0 s LYS 4 N -2.92 0.46 0.45 12.44 3.01 -1.26 -5.14 119.74 126.78 2hw0 s LYS 4 Ca -0.02 -0.34 0.08 0.00 -1.01 0.00 0.00 55.97 54.68 2hw0 s LYS 4 Cb 0.00 -2.00 0.03 0.00 -1.01 0.00 0.00 37.83 34.85 2hw0 s LYS 4 CO -0.06 -0.67 0.62 0.21 0.51 0.00 0.00 175.35 175.96 2hw0 s LYS 5 N 1.94 2.72 0.32 1.68 2.20 -1.26 -5.14 119.74 122.21 2hw0 s LYS 5 Ca 0.00 -1.32 0.00 0.00 -0.36 0.00 0.00 55.97 54.29 2hw0 s LYS 5 Cb -0.17 -2.74 -0.01 0.00 -1.51 0.00 0.00 37.83 33.40 2hw0 s LYS 5 CO -0.10 -0.39 0.38 -0.80 -0.36 0.00 0.00 175.35 174.08 2hw0 s ASN 6 N -4.41 1.01 0.00 1.43 -0.87 -1.26 -5.15 114.94 105.69 2hw0 s ASN 6 Ca 0.56 -1.53 0.00 0.00 -1.57 0.00 0.00 52.86 50.33 2hw0 s ASN 6 Cb -0.09 0.60 0.00 0.00 -0.02 0.00 0.00 41.25 41.74 2hw0 s ASN 6 CO 0.34 -1.17 0.00 0.61 -2.57 0.00 0.00 177.10 174.31 2hw0 n GLY 7 N -0.54 1.74 3.35 0.66 0.00 -1.26 -5.19 105.19 103.94 2hw0 n GLY 7 Ca 0.03 0.14 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.20 1.13 0.26 1.61 1.70 -1.26 -5.19 118.95 117.00 2hw0 s ARG 8 Ca 0.00 -0.63 0.03 0.00 -0.47 0.00 0.00 55.73 54.66 2hw0 s ARG 8 Cb 0.00 0.50 -0.01 0.00 -0.57 0.00 0.00 34.95 34.87 2hw0 s ARG 8 CO 0.00 -0.46 0.10 0.43 -1.08 0.00 0.00 175.30 174.29 2hw0 n SER 9 N -0.25 1.09 0.00 -2.89 7.64 -1.26 -5.12 113.62 112.83 2hw0 n SER 9 Ca -0.16 -2.40 0.00 0.00 1.01 0.00 0.00 58.87 57.31 2hw0 n SER 9 Cb 0.64 0.68 0.00 0.00 -1.01 0.00 0.00 64.21 64.52 2hw0 n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hw0 n GLY 10 N 0.30 -1.78 3.77 0.23 0.00 -1.26 -4.98 105.19 101.46 2hw0 n GLY 10 Ca -0.04 -2.00 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 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 0.00 3.92 0.23 1.61 0.04 -1.26 -5.06 135.00 134.48 2hw0 s PRO 11 Ca 0.00 1.84 0.11 0.00 0.04 0.00 0.00 61.00 62.98 2hw0 s PRO 11 Cb 0.00 -2.57 -0.05 0.00 0.04 0.00 0.00 34.50 31.92 2hw0 s PRO 11 CO 0.00 -0.43 -0.20 1.14 0.04 0.00 0.00 177.00 177.55 2hw0 s GLN 12 N -2.46 1.52 0.27 4.56 0.00 -1.26 -5.07 119.66 117.22 2hw0 s GLN 12 Ca 0.60 -1.61 -0.29 0.00 -0.00 0.00 0.00 55.36 54.05 2hw0 s GLN 12 Cb -0.30 -1.63 -0.10 0.00 0.00 0.00 0.00 33.01 30.98 2hw0 s GLN 12 CO 0.38 0.32 1.25 -1.25 0.00 0.00 0.00 175.29 175.99 2hw0 s PRO 13 N -3.17 4.44 0.46 9.60 0.04 -1.26 -4.89 135.00 140.22 2hw0 s PRO 13 Ca 0.24 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.36 2hw0 s PRO 13 Cb -0.05 -3.15 -0.02 0.00 0.04 0.00 0.00 34.50 31.32 2hw0 s PRO 13 CO 0.11 -0.11 0.06 -1.01 0.04 0.00 0.00 177.00 176.09 2hw0 s HIS 14 N -0.70 1.84 -0.48 0.56 3.76 -0.61 -4.60 115.29 115.07 2hw0 s HIS 14 Ca 0.50 -1.11 0.16 0.00 -0.15 0.00 0.00 55.06 54.46 2hw0 s HIS 14 Cb -0.37 -1.40 0.71 0.00 1.11 0.00 0.00 32.58 32.64 2hw0 s HIS 14 CO 0.45 -0.02 1.62 0.36 -0.85 0.00 0.00 174.74 176.30 2hw0 n LYS 15 N -1.09 4.07 -3.74 1.40 0.00 -1.26 -2.27 118.16 115.27 2hw0 n LYS 15 Ca -0.12 -2.98 -0.16 0.00 -0.00 0.00 0.00 58.31 55.04 2hw0 n LYS 15 Cb 0.66 -2.03 -0.16 0.00 -0.00 0.00 0.00 35.03 33.49 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 -2.48 -0.04 -0.15 -1.58 0.52 -1.26 -0.02 118.95 113.93 2hw0 s ARG 16 Ca 0.50 0.27 -0.12 0.00 -0.52 0.00 0.00 55.73 55.86 2hw0 s ARG 16 Cb 0.37 -0.32 0.05 0.00 0.52 0.00 0.00 34.95 35.56 2hw0 s ARG 16 CO 0.16 -0.22 0.40 -1.58 0.02 0.00 0.00 175.30 174.08 2hw0 s TRP 17 N 1.43 -0.49 0.28 -0.53 0.52 -0.91 -4.18 118.94 115.06 2hw0 s TRP 17 Ca -0.05 1.14 0.08 0.00 0.02 0.00 0.00 56.10 57.29 2hw0 s TRP 17 Cb -0.13 0.19 -0.04 0.00 -1.15 0.00 0.00 33.47 32.35 2hw0 s TRP 17 CO -0.03 -0.26 0.17 0.14 0.02 0.00 0.00 176.95 176.99 2hw0 s VAL 18 N 0.71 3.90 0.02 4.03 -7.23 0.74 -1.87 120.40 120.70 2hw0 s VAL 18 Ca -0.04 -1.53 0.02 0.00 -1.81 0.00 0.00 61.98 58.62 2hw0 s VAL 18 Cb -0.05 -3.20 -0.01 0.00 0.56 0.00 0.00 36.38 33.67 2hw0 s VAL 18 CO -0.05 -0.30 -0.07 0.72 -0.31 0.00 0.00 175.10 175.09 2hw0 s PHE 19 N -2.24 0.58 -0.15 2.82 -0.71 -0.95 -1.48 117.98 115.85 2hw0 s PHE 19 Ca 0.35 -0.27 -0.08 0.00 -1.04 0.00 0.00 56.93 55.90 2hw0 s PHE 19 Cb -0.07 -0.36 0.06 0.00 -1.21 0.00 0.00 43.02 41.44 2hw0 s PHE 19 CO 0.24 -0.04 0.35 0.95 -1.34 0.00 0.00 175.22 175.38 2hw0 s THR 20 N -0.66 -0.08 -0.01 -4.49 -4.23 0.10 -2.56 115.64 103.71 2hw0 s THR 20 Ca -0.03 0.12 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 2hw0 s THR 20 Cb -0.05 -0.53 0.01 0.00 1.34 0.00 0.00 72.50 73.26 2hw0 s THR 20 CO 0.00 0.05 0.00 -0.22 -0.54 0.00 0.00 174.62 173.92 2hw0 s LEU 21 N 1.47 1.73 0.04 4.79 2.96 -0.94 -1.36 118.68 127.36 2hw0 s LEU 21 Ca -0.09 0.00 -0.24 0.00 -0.22 0.00 0.00 54.13 53.58 2hw0 s LEU 21 Cb -0.09 -0.05 -0.05 0.00 0.50 0.00 0.00 46.19 46.50 2hw0 s LEU 21 CO -0.11 -0.03 0.75 0.54 -1.32 0.00 0.00 176.35 176.17 2hw0 s ASN 22 N 0.31 7.18 -0.92 3.68 4.22 -1.26 -0.90 114.94 127.25 2hw0 s ASN 22 Ca -0.03 1.41 -0.08 0.00 -2.14 0.00 0.00 52.86 52.02 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 0.02 0.72 -3.20 -2.04 0.00 0.00 177.10 172.59 2hw0 n ASN 23 N 2.83 -6.03 -4.77 3.54 2.85 0.89 -4.92 115.26 109.65 2hw0 n ASN 23 Ca -0.03 -0.70 -0.36 0.00 -0.11 0.00 0.00 54.58 53.38 2hw0 n ASN 23 Cb 0.50 -3.57 -0.01 0.00 1.24 0.00 0.00 39.78 37.94 2hw0 n ASN 23 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2hw0 s PRO 24 N -4.70 3.60 0.35 1.20 0.04 -1.25 -5.04 135.00 129.20 2hw0 s PRO 24 Ca 0.19 1.71 -0.03 0.00 0.04 0.00 0.00 61.00 62.92 2hw0 s PRO 24 Cb -0.07 -2.25 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 2hw0 s PRO 24 CO 0.83 -0.67 0.60 -1.12 0.04 0.00 0.00 177.00 176.69 2hw0 s SER 25 N -1.52 6.35 0.53 6.66 0.01 -1.26 -4.93 113.70 119.54 2hw0 s SER 25 Ca 0.67 0.65 0.24 0.00 1.31 0.00 0.00 55.95 58.82 2hw0 s SER 25 Cb -0.27 -2.12 1.38 0.00 0.21 0.00 0.00 66.02 65.23 2hw0 s SER 25 CO 0.32 -0.32 2.02 1.05 0.41 0.00 0.00 173.24 176.72 2hw0 h GLU 26 N 0.99 0.00 0.19 12.44 4.11 -1.99 -0.63 114.58 129.68 2hw0 h GLU 26 Ca -0.48 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 58.63 2hw0 h GLU 26 Cb 1.20 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.49 2hw0 h GLU 26 CO 0.63 0.00 -1.36 -0.44 0.07 0.00 0.00 179.01 177.91 2hw0 h ASP 27 N 0.00 0.84 -0.04 3.06 5.19 -1.98 -2.44 116.42 121.05 2hw0 h ASP 27 Ca 0.21 -0.84 -0.00 0.00 -0.62 0.00 0.00 57.03 55.78 2hw0 h ASP 27 Cb 0.87 -0.27 -0.00 0.00 0.18 0.00 0.00 39.33 40.11 2hw0 h ASP 27 CO -0.00 1.65 0.02 -0.08 -3.12 0.00 0.00 179.24 177.71 2hw0 h GLU 28 N 0.20 0.06 -0.08 3.56 4.22 -1.54 0.70 114.58 121.70 2hw0 h GLU 28 Ca -0.22 -0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.12 2hw0 h GLU 28 Cb 2.05 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.27 2hw0 h GLU 28 CO 0.26 0.14 -0.38 0.00 -2.18 0.00 0.00 179.01 176.85 2hw0 h ARG 29 N -0.04 0.17 -0.30 1.92 3.08 -1.37 -2.53 114.38 115.32 2hw0 h ARG 29 Ca 0.02 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 59.86 2hw0 h ARG 29 Cb 0.10 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 2hw0 h ARG 29 CO -0.00 0.53 -0.34 0.87 -1.07 0.00 0.00 179.97 179.96 2hw0 h LYS 30 N 0.15 0.75 0.20 0.04 1.57 -1.14 -0.66 116.57 117.48 2hw0 h LYS 30 Ca 0.02 -0.41 -0.01 0.00 -1.87 0.00 0.00 60.65 58.37 2hw0 h LYS 30 Cb 0.74 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2hw0 h LYS 30 CO 0.06 1.04 -0.10 -0.22 -0.57 0.00 0.00 179.45 179.66 2hw0 h LYS 31 N 0.51 -0.26 -0.74 3.15 3.64 -0.73 0.29 116.57 122.43 2hw0 h LYS 31 Ca 0.04 0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.40 2hw0 h LYS 31 Cb 0.92 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.76 2hw0 h LYS 31 CO 0.08 -0.07 0.30 0.82 -2.27 0.00 0.00 179.45 178.32 2hw0 h ILE 32 N -0.41 1.25 0.00 2.00 2.04 -1.51 -1.96 117.51 118.93 2hw0 h ILE 32 Ca -0.03 -0.78 -0.02 0.00 1.00 0.00 0.00 64.86 65.03 2hw0 h ILE 32 Cb 0.31 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 2hw0 h ILE 32 CO 0.05 0.32 -0.10 -0.09 0.00 0.00 0.00 178.15 178.32 2hw0 h ARG 33 N 1.07 0.00 -0.50 2.37 2.43 -1.01 -2.54 114.38 116.19 2hw0 h ARG 33 Ca 0.25 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2hw0 h ARG 33 Cb 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 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 3.00 -4.73 -3.80 8.00 0.10 -4.96 116.55 110.95 2hw0 n ASP 34 Ca 0.01 -1.97 -0.31 0.00 0.71 0.00 0.00 54.79 53.23 2hw0 n ASP 34 Cb 0.39 -0.33 0.12 0.00 -0.02 0.00 0.00 41.12 41.28 2hw0 n ASP 34 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2hw0 s LEU 35 N -1.15 2.88 -0.14 0.64 1.43 -0.81 -4.94 118.68 116.60 2hw0 s LEU 35 Ca 0.38 1.89 -0.29 0.00 -1.03 0.00 0.00 54.13 55.08 2hw0 s LEU 35 Cb 0.20 -4.47 -0.04 0.00 0.03 0.00 0.00 46.19 41.92 2hw0 s LEU 35 CO 0.27 -2.42 1.55 -2.16 0.23 0.00 0.00 176.35 173.82 2hw0 s PRO 36 N -4.83 4.05 0.27 1.29 0.04 -1.26 -4.90 135.00 129.65 2hw0 s PRO 36 Ca 0.63 1.87 0.03 0.00 0.04 0.00 0.00 61.00 63.57 2hw0 s PRO 36 Cb -0.19 -3.96 0.37 0.00 0.04 0.00 0.00 34.50 30.76 2hw0 s PRO 36 CO 0.57 -0.99 1.68 -0.84 0.04 0.00 0.00 177.00 177.46 2hw0 h ILE 37 N 5.77 1.29 0.00 0.56 3.07 -1.92 -2.60 117.51 123.68 2hw0 h ILE 37 Ca -0.34 -1.43 -0.02 0.00 1.55 0.00 0.00 64.86 64.62 2hw0 h ILE 37 Cb 1.15 1.51 -0.00 0.00 -0.27 0.00 0.00 36.82 39.21 2hw0 h ILE 37 CO 0.98 0.44 -0.09 0.28 -1.05 0.00 0.00 178.15 178.71 2hw0 h SER 38 N 0.37 0.00 0.67 2.16 0.02 -1.98 -2.15 113.55 112.64 2hw0 h SER 38 Ca 0.04 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.88 2hw0 h SER 38 Cb 0.78 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 2hw0 h SER 38 CO 0.06 0.09 -0.54 0.25 -1.14 0.00 0.00 176.83 175.55 2hw0 h LEU 39 N 0.00 0.00 -7.79 5.07 6.46 -1.86 -3.41 115.31 113.77 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 0.37 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 39.94 2hw0 h LEU 39 CO 0.01 0.54 -0.81 -0.36 -0.62 0.00 0.00 178.44 177.20 2hw0 s PHE 40 N -3.63 2.35 0.55 1.25 0.40 -0.81 -2.55 117.98 115.53 2hw0 s PHE 40 Ca -0.01 -1.53 0.30 0.00 -0.60 0.00 0.00 56.93 55.09 2hw0 s PHE 40 Cb 0.12 -1.62 1.46 0.00 0.51 0.00 0.00 43.02 43.50 2hw0 s PHE 40 CO 0.74 -0.73 1.91 0.22 0.70 0.00 0.00 175.22 178.06 2hw0 h ASP 41 N 7.99 0.00 -3.39 1.36 1.82 -1.62 -3.38 116.42 119.19 2hw0 h ASP 41 Ca -0.29 0.00 -0.36 0.00 -0.39 0.00 0.00 57.03 55.99 2hw0 h ASP 41 Cb 1.10 0.00 -0.36 0.00 0.68 0.00 0.00 39.33 40.75 2hw0 h ASP 41 CO 0.48 0.00 -0.75 -0.47 -1.61 0.00 0.00 179.24 176.89 2hw0 s TYR 42 N -4.90 0.25 -0.14 0.28 5.04 -1.24 -0.19 117.35 116.45 2hw0 s TYR 42 Ca -0.05 0.08 -0.02 0.00 -2.44 0.00 0.00 57.07 54.64 2hw0 s TYR 42 Cb 0.20 -0.48 0.04 0.00 0.35 0.00 0.00 41.96 42.07 2hw0 s TYR 42 CO 0.71 -0.18 -0.00 0.12 -1.34 0.00 0.00 175.55 174.87 2hw0 s PHE 43 N 1.58 1.06 -0.09 4.97 2.19 -0.98 0.01 117.98 126.72 2hw0 s PHE 43 Ca -0.02 -0.64 -0.02 0.00 0.33 0.00 0.00 56.93 56.57 2hw0 s PHE 43 Cb -0.13 -1.01 0.04 0.00 -1.31 0.00 0.00 43.02 40.60 2hw0 s PHE 43 CO -0.03 -0.50 0.03 -1.50 1.83 0.00 0.00 175.22 175.05 2hw0 s ILE 44 N 1.85 0.21 -0.02 3.12 2.07 -0.39 -1.34 121.20 126.69 2hw0 s ILE 44 Ca 0.02 0.09 0.07 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 0.12 -0.25 -0.69 -1.91 0.00 0.00 174.94 172.14 2hw0 s VAL 45 N 2.03 1.95 -0.03 4.00 1.01 -0.37 0.05 120.40 129.05 2hw0 s VAL 45 Ca 0.04 -1.05 0.01 0.00 0.00 0.00 0.00 61.98 60.98 2hw0 s VAL 45 Cb -0.13 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.64 2hw0 s VAL 45 CO -0.05 0.55 -0.05 -0.83 0.00 0.00 0.00 175.10 174.72 2hw0 s GLY 46 N -0.54 0.42 -0.04 4.51 0.00 -0.69 -0.11 107.32 110.88 2hw0 s GLY 46 Ca 0.08 -0.11 -0.19 0.00 0.00 0.00 0.00 44.72 44.50 2hw0 s GLY 46 CO -0.01 0.25 0.55 1.85 0.00 0.00 0.00 173.10 175.74 2hw0 s GLU 47 N 0.61 4.29 -0.19 2.90 2.12 0.69 -2.31 118.70 126.81 2hw0 s GLU 47 Ca -0.08 0.63 -0.08 0.00 0.36 0.00 0.00 54.97 55.80 2hw0 s GLU 47 Cb -0.12 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 2hw0 s GLU 47 CO 0.00 0.33 0.08 -2.00 -0.54 0.00 0.00 175.26 173.14 2hw0 s GLU 48 N -0.03 4.05 -0.50 4.30 -6.30 0.17 -3.83 118.70 116.57 2hw0 s GLU 48 Ca 0.29 -0.30 0.06 0.00 -2.50 0.00 0.00 54.97 52.52 2hw0 s GLU 48 Cb -0.17 -3.28 0.19 0.00 0.00 0.00 0.00 34.13 30.86 2hw0 s GLU 48 CO 0.15 0.28 0.65 0.20 0.02 0.00 0.00 175.26 176.57 2hw0 s GLY 49 N 0.36 -0.81 0.00 -1.50 0.00 -1.26 -1.89 107.32 102.22 2hw0 s GLY 49 Ca 0.05 -0.78 0.00 0.00 0.00 0.00 0.00 44.72 43.99 2hw0 s GLY 49 CO -0.01 3.37 0.00 -2.01 0.00 0.00 0.00 173.10 174.46 2hw0 n ASN 50 N 2.97 -1.92 -4.05 1.64 2.85 -1.26 -4.96 115.26 110.54 2hw0 n ASN 50 Ca 0.20 -0.04 -0.29 0.00 -0.11 0.00 0.00 54.58 54.35 2hw0 n ASN 50 Cb 0.54 0.00 0.20 0.00 1.24 0.00 0.00 39.78 41.77 2hw0 n ASN 50 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 2hw0 n GLU 51 N -1.95 -2.35 -1.18 1.20 0.28 -1.26 -4.75 120.64 110.63 2hw0 n GLU 51 Ca 0.00 -0.68 -0.35 0.00 -0.16 0.00 0.00 57.16 55.97 2hw0 n GLU 51 Cb 0.00 -1.76 0.08 0.00 1.43 0.00 0.00 31.44 31.19 2hw0 n GLU 51 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2hw0 n GLU 52 N -3.00 0.21 0.00 3.44 2.13 -1.26 -2.73 120.64 119.44 2hw0 n GLU 52 Ca 0.03 0.12 0.00 0.00 0.66 0.00 0.00 57.16 57.97 2hw0 n GLU 52 Cb 0.55 -1.89 0.00 0.00 0.27 0.00 0.00 31.44 30.38 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 1.54 3.07 3.78 8.31 0.00 -1.26 -5.02 105.19 115.60 2hw0 n GLY 53 Ca 0.10 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.31 4.11 0.59 1.61 6.06 -1.10 -5.08 118.95 124.82 2hw0 s ARG 54 Ca 0.00 0.36 -0.11 0.00 -2.50 0.00 0.00 55.73 53.48 2hw0 s ARG 54 Cb 0.00 -3.33 -0.04 0.00 0.06 0.00 0.00 34.95 31.64 2hw0 s ARG 54 CO 0.00 0.44 0.99 0.95 -2.50 0.00 0.00 175.30 175.18 2hw0 s THR 55 N -0.25 4.72 0.33 4.11 -4.23 -1.26 -4.76 115.64 114.30 2hw0 s THR 55 Ca 0.23 0.82 -0.28 0.00 -1.18 0.00 0.00 61.69 61.28 2hw0 s THR 55 Cb -0.15 -3.85 -0.10 0.00 1.34 0.00 0.00 72.50 69.74 2hw0 s THR 55 CO 0.11 -1.05 1.22 -2.16 -0.54 0.00 0.00 174.62 172.20 2hw0 s PRO 56 N -4.97 4.38 -0.01 3.99 0.04 -1.26 -4.78 135.00 132.39 2hw0 s PRO 56 Ca 0.54 2.02 0.01 0.00 0.04 0.00 0.00 61.00 63.61 2hw0 s PRO 56 Cb -0.11 -3.03 0.00 0.00 0.04 0.00 0.00 34.50 31.41 2hw0 s PRO 56 CO 0.50 -0.10 -0.04 -1.58 0.04 0.00 0.00 177.00 175.83 2hw0 s HIS 57 N -1.20 0.35 -0.10 0.56 2.46 -0.79 -0.08 115.29 116.49 2hw0 s HIS 57 Ca 0.49 -0.06 -0.14 0.00 0.47 0.00 0.00 55.06 55.82 2hw0 s HIS 57 Cb -0.36 -0.25 -0.05 0.00 -0.13 0.00 0.00 32.58 31.80 2hw0 s HIS 57 CO 0.47 -0.02 0.34 -1.17 -2.47 0.00 0.00 174.74 171.89 2hw0 s LEU 58 N 0.03 4.33 -0.25 8.88 0.20 -0.07 -0.66 118.68 131.14 2hw0 s LEU 58 Ca 0.00 0.70 -0.03 0.00 0.69 0.00 0.00 54.13 55.48 2hw0 s LEU 58 Cb -0.03 -2.46 0.14 0.00 -0.43 0.00 0.00 46.19 43.41 2hw0 s LEU 58 CO -0.00 0.18 0.44 -1.58 -0.29 0.00 0.00 176.35 175.10 2hw0 s GLN 59 N -0.12 0.40 0.30 1.98 2.00 -0.98 -2.21 119.66 121.03 2hw0 s GLN 59 Ca 0.20 0.76 -0.09 0.00 -2.00 0.00 0.00 55.36 54.22 2hw0 s GLN 59 Cb -0.14 -0.07 0.01 0.00 0.80 0.00 0.00 33.01 33.61 2hw0 s GLN 59 CO 0.08 -0.56 0.52 0.20 -0.50 0.00 0.00 175.29 175.03 2hw0 s GLY 60 N 2.64 0.86 -0.00 2.59 0.00 -1.06 -1.71 107.32 110.64 2hw0 s GLY 60 Ca 0.12 -1.09 0.04 0.00 0.00 0.00 0.00 44.72 43.78 2hw0 s GLY 60 CO -0.17 -0.71 -0.11 -0.12 0.00 0.00 0.00 173.10 171.99 2hw0 s PHE 61 N -3.41 1.02 -0.05 1.90 5.36 0.11 -2.24 117.98 120.66 2hw0 s PHE 61 Ca 0.24 -0.21 0.00 0.00 -0.96 0.00 0.00 56.93 56.01 2hw0 s PHE 61 Cb -0.01 -0.65 0.02 0.00 -0.34 0.00 0.00 43.02 42.04 2hw0 s PHE 61 CO 0.13 -0.01 -0.02 0.00 -1.46 0.00 0.00 175.22 173.86 2hw0 s ALA 62 N -0.33 0.65 -0.37 11.12 0.00 -0.78 -1.26 121.76 130.79 2hw0 s ALA 62 Ca 0.04 -0.06 -0.19 0.00 0.00 0.00 0.00 51.96 51.75 2hw0 s ALA 62 Cb -0.05 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.53 2hw0 s ALA 62 CO -0.00 -0.20 0.55 1.21 0.00 0.00 0.00 175.76 177.32 2hw0 s ASN 63 N 1.34 6.33 0.07 0.00 3.84 0.10 -2.14 114.94 124.49 2hw0 s ASN 63 Ca -0.05 -0.07 -0.31 0.00 0.21 0.00 0.00 52.86 52.64 2hw0 s ASN 63 Cb -0.13 -2.28 -0.07 0.00 -0.55 0.00 0.00 41.25 38.22 2hw0 s ASN 63 CO -0.02 -0.55 1.36 -0.36 -2.79 0.00 0.00 177.10 174.73 2hw0 s PHE 64 N 2.49 3.16 0.57 0.43 0.08 0.97 -2.24 117.98 123.45 2hw0 s PHE 64 Ca 0.20 0.98 0.34 0.00 0.12 0.00 0.00 56.93 58.56 2hw0 s PHE 64 Cb -0.15 -3.62 1.93 0.00 -0.57 0.00 0.00 43.02 40.60 2hw0 s PHE 64 CO 0.14 -2.19 2.26 0.28 -0.10 0.00 0.00 175.22 175.61 2hw0 h VAL 65 N 4.51 0.38 -4.33 -0.44 2.07 -1.77 -3.42 116.25 113.24 2hw0 h VAL 65 Ca -0.41 -0.09 -0.37 0.00 0.82 0.00 0.00 66.70 66.66 2hw0 h VAL 65 Cb 1.20 1.06 -0.08 0.00 -1.52 0.00 0.00 31.29 31.96 2hw0 h VAL 65 CO 0.87 0.02 -0.29 0.29 0.02 0.00 0.00 177.57 178.47 2hw0 n LYS 66 N -3.60 0.91 -3.02 1.57 4.01 -1.26 -4.99 118.16 111.77 2hw0 n LYS 66 Ca -0.03 -2.18 -0.41 0.00 -0.51 0.00 0.00 58.31 55.18 2hw0 n LYS 66 Cb 0.11 0.96 -0.05 0.00 -0.51 0.00 0.00 35.03 35.53 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 -3.02 4.15 0.08 1.97 -0.14 -1.26 -4.25 119.74 117.26 2hw0 s LYS 67 Ca 0.08 0.71 0.05 0.00 -1.36 0.00 0.00 55.97 55.45 2hw0 s LYS 67 Cb 0.00 -3.64 -0.03 0.00 -1.68 0.00 0.00 37.83 32.48 2hw0 s LYS 67 CO 0.06 -0.44 -0.13 -0.65 -0.76 0.00 0.00 175.35 173.43 2hw0 s GLN 68 N 2.58 0.83 0.58 1.68 -1.52 -0.96 -4.88 119.66 117.96 2hw0 s GLN 68 Ca 0.30 -1.01 -0.00 0.00 -1.95 0.00 0.00 55.36 52.69 2hw0 s GLN 68 Cb -0.15 -0.75 0.04 0.00 -0.22 0.00 0.00 33.01 31.92 2hw0 s GLN 68 CO 0.08 0.16 0.82 0.95 -0.25 0.00 0.00 175.29 177.05 2hw0 s THR 69 N -1.58 2.64 0.06 -0.19 -4.23 -1.26 -1.57 115.64 109.51 2hw0 s THR 69 Ca 0.00 -0.58 -0.30 0.00 -1.18 0.00 0.00 61.69 59.63 2hw0 s THR 69 Cb -0.08 -3.02 -0.18 0.00 1.34 0.00 0.00 72.50 70.56 2hw0 s THR 69 CO 0.02 -0.01 1.56 0.15 -0.54 0.00 0.00 174.62 175.79 2hw0 h PHE 70 N -0.05 -0.66 -0.83 3.99 3.57 -1.98 0.30 116.94 121.28 2hw0 h PHE 70 Ca -0.43 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.03 2hw0 h PHE 70 Cb 1.30 0.22 -0.04 0.00 2.79 0.00 0.00 35.95 40.22 2hw0 h PHE 70 CO 0.37 -0.38 0.42 -0.97 -2.23 0.00 0.00 178.31 175.51 2hw0 h ASN 71 N -0.78 1.06 -0.01 0.41 -0.73 -2.00 -2.72 115.58 110.80 2hw0 h ASN 71 Ca -0.07 -0.11 -0.00 0.00 1.87 0.00 0.00 56.30 57.98 2hw0 h ASN 71 Cb 0.58 -0.27 -0.00 0.00 0.27 0.00 0.00 38.32 38.89 2hw0 h ASN 71 CO 0.12 0.88 0.00 0.50 -0.37 0.00 0.00 177.43 178.56 2hw0 h LYS 72 N 1.17 0.02 -0.35 6.67 1.63 -1.92 -2.65 116.57 121.14 2hw0 h LYS 72 Ca 0.29 -0.01 0.10 0.00 -0.85 0.00 0.00 60.65 60.18 2hw0 h LYS 72 Cb 0.08 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.70 2hw0 h LYS 72 CO -0.04 0.27 0.37 0.28 -3.45 0.00 0.00 179.45 176.88 2hw0 h VAL 73 N -0.23 0.41 0.00 2.00 2.07 -0.23 0.30 116.25 120.57 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 0.26 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 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 -3.75 0.09 0.28 1.57 5.02 -1.00 -1.57 118.16 118.79 2hw0 n LYS 74 Ca 0.06 0.49 0.17 0.00 -2.02 0.00 0.00 58.31 57.01 2hw0 n LYS 74 Cb 0.53 -1.73 0.72 0.00 -0.02 0.00 0.00 35.03 34.53 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 0.12 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.26 2hw0 h TRP 75 CO 0.00 0.01 -1.48 0.66 -1.28 0.00 0.00 178.44 176.35 2hw0 n TYR 76 N -3.11 0.00 0.55 0.12 4.01 -0.61 -4.61 117.16 113.51 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 0.29 -0.33 0.41 0.00 -0.31 0.00 0.00 39.34 39.40 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 0.23 -0.88 7.72 4.77 -0.89 -4.96 117.00 119.55 2hw0 n LEU 77 Ca -0.18 0.55 0.03 0.00 -0.03 0.00 0.00 56.01 56.38 2hw0 n LEU 77 Cb 0.61 -0.51 -0.02 0.00 -2.33 0.00 0.00 43.42 41.18 2hw0 n LEU 77 CO 0.01 -0.29 -0.31 0.61 -1.33 0.00 0.00 177.39 176.08 2hw0 n GLY 78 N 0.31 -3.38 0.14 -0.72 0.00 -0.05 -4.20 105.19 97.29 2hw0 n GLY 78 Ca 0.04 -1.10 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 -0.22 0.80 -0.83 4.61 0.00 -1.95 -3.22 119.26 118.44 2hw0 h ALA 79 Ca -0.04 -0.54 0.13 0.00 0.00 0.00 0.00 54.91 54.46 2hw0 h ALA 79 Cb 0.64 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.25 2hw0 h ALA 79 CO 0.02 0.74 0.44 0.00 0.00 0.00 0.00 179.25 180.45 2hw0 h ARG 80 N 0.00 0.66 -5.73 0.00 2.47 -1.94 -3.39 114.38 106.44 2hw0 h ARG 80 Ca -0.01 -0.04 -0.58 0.00 -1.26 0.00 0.00 59.98 58.10 2hw0 h ARG 80 Cb 1.21 -0.15 -0.08 0.00 -1.65 0.00 0.00 29.97 29.31 2hw0 h ARG 80 CO 0.08 0.44 -0.16 0.00 0.56 0.00 0.00 179.97 180.89 2hw0 s HIS 82 N 0.52 3.14 0.09 0.00 2.46 -0.47 -4.80 115.29 116.23 2hw0 s HIS 82 Ca 0.25 1.09 0.07 0.00 0.47 0.00 0.00 55.06 56.93 2hw0 s HIS 82 Cb -0.15 -3.52 -0.04 0.00 -0.13 0.00 0.00 32.58 28.74 2hw0 s HIS 82 CO 0.10 -1.75 -0.10 0.96 -2.47 0.00 0.00 174.74 171.48 2hw0 s ILE 83 N 1.93 3.39 0.16 0.89 -4.36 -1.26 0.00 121.20 121.95 2hw0 s ILE 83 Ca 0.60 -1.21 -0.11 0.00 -0.26 0.00 0.00 60.65 59.67 2hw0 s ILE 83 Cb -0.29 -2.57 0.00 0.00 1.25 0.00 0.00 42.46 40.86 2hw0 s ILE 83 CO 0.26 0.15 0.32 -0.70 0.24 0.00 0.00 174.94 175.21 2hw0 s GLU 84 N -2.09 1.16 0.09 0.37 2.12 -0.55 -4.97 118.70 114.83 2hw0 s GLU 84 Ca 0.21 -1.08 -0.30 0.00 0.36 0.00 0.00 54.97 54.15 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 0.13 -0.44 1.04 -1.59 -0.54 0.00 0.00 175.26 173.86 2hw0 s LYS 85 N -3.94 4.59 0.40 4.30 -2.85 -1.26 -0.18 119.74 120.79 2hw0 s LYS 85 Ca 0.14 1.56 -0.04 0.00 -1.00 0.00 0.00 55.97 56.63 2hw0 s LYS 85 Cb 0.03 -3.37 -0.04 0.00 -2.06 0.00 0.00 37.83 32.38 2hw0 s LYS 85 CO -0.02 0.02 0.67 0.00 0.10 0.00 0.00 175.35 176.13 2hw0 s ALA 86 N 0.41 3.52 -0.07 0.59 0.00 -1.26 -4.86 121.76 120.09 2hw0 s ALA 86 Ca 0.51 -0.59 -0.10 0.00 0.00 0.00 0.00 51.96 51.78 2hw0 s ALA 86 Cb -0.25 -2.41 0.02 0.00 0.00 0.00 0.00 23.12 20.48 2hw0 s ALA 86 CO 0.30 -0.10 0.26 -1.59 0.00 0.00 0.00 175.76 174.63 2hw0 s LYS 87 N -4.27 0.39 0.00 0.00 -2.85 -1.26 -4.96 119.74 106.79 2hw0 s LYS 87 Ca 0.45 0.18 0.00 0.00 -1.00 0.00 0.00 55.97 55.60 2hw0 s LYS 87 Cb -0.10 0.18 0.00 0.00 -2.06 0.00 0.00 37.83 35.85 2hw0 s LYS 87 CO 0.38 -0.07 0.00 0.41 0.10 0.00 0.00 175.35 176.17 2hw0 n GLY 88 N 2.47 1.15 3.93 0.59 0.00 -1.26 -4.78 105.19 107.30 2hw0 n GLY 88 Ca -0.16 -2.27 -0.28 0.00 0.00 0.00 0.00 46.02 43.31 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 -1.15 2.08 0.28 2.61 -4.23 -1.26 -4.54 115.64 109.42 2hw0 s THR 89 Ca 0.00 -0.14 0.01 0.00 -1.18 0.00 0.00 61.69 60.38 2hw0 s THR 89 Cb 0.00 -2.94 0.28 0.00 1.34 0.00 0.00 72.50 71.18 2hw0 s THR 89 CO 0.00 0.00 1.83 -2.24 -0.54 0.00 0.00 174.62 173.67 2hw0 h ASP 90 N -1.13 0.89 -0.04 3.99 2.03 -1.89 -0.52 116.42 119.75 2hw0 h ASP 90 Ca -0.44 0.05 -0.13 0.00 -0.73 0.00 0.00 57.03 55.78 2hw0 h ASP 90 Cb 1.28 -0.13 -0.01 0.00 -0.83 0.00 0.00 39.33 39.64 2hw0 h ASP 90 CO 0.49 0.48 -0.41 -0.61 -1.03 0.00 0.00 179.24 178.16 2hw0 h GLN 91 N 0.97 0.56 -0.68 4.15 5.75 -1.93 0.01 115.11 123.95 2hw0 h GLN 91 Ca 0.49 -0.29 -0.05 0.00 -0.15 0.00 0.00 58.65 58.65 2hw0 h GLN 91 Cb 0.48 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 29.01 2hw0 h GLN 91 CO -0.27 0.87 0.22 1.96 -2.65 0.00 0.00 178.83 178.97 2hw0 h GLN 92 N 0.46 1.05 0.02 1.69 4.20 -1.48 0.24 115.11 121.28 2hw0 h GLN 92 Ca 0.04 -0.22 -0.12 0.00 0.06 0.00 0.00 58.65 58.41 2hw0 h GLN 92 Cb 0.91 -0.15 0.01 0.00 0.30 0.00 0.00 27.48 28.55 2hw0 h GLN 92 CO 0.08 0.90 -0.47 -0.91 -0.67 0.00 0.00 178.83 177.77 2hw0 h ASN 93 N 0.98 0.37 -0.53 1.46 -0.26 -1.19 -1.28 115.58 115.13 2hw0 h ASN 93 Ca 0.22 -0.81 -0.01 0.00 -0.56 0.00 0.00 56.30 55.13 2hw0 h ASN 93 Cb 0.29 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.41 2hw0 h ASN 93 CO -0.01 1.14 0.27 0.50 -1.06 0.00 0.00 177.43 178.27 2hw0 h LYS 94 N -0.35 0.75 -0.26 0.81 3.64 -0.95 -2.10 116.57 118.11 2hw0 h LYS 94 Ca -0.06 -0.10 -0.17 0.00 -1.27 0.00 0.00 60.65 59.04 2hw0 h LYS 94 Cb 1.23 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.91 2hw0 h LYS 94 CO 0.09 0.60 -0.54 1.49 -2.27 0.00 0.00 179.45 178.82 2hw0 h GLU 95 N 0.71 0.76 -0.45 1.90 4.22 -0.62 -2.60 114.58 118.51 2hw0 h GLU 95 Ca 0.18 -0.48 0.05 0.00 0.08 0.00 0.00 59.36 59.19 2hw0 h GLU 95 Cb 0.08 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 2hw0 h GLU 95 CO -0.03 1.10 0.19 -0.92 -2.18 0.00 0.00 179.01 177.18 2hw0 h TYR 96 N 0.59 0.35 -0.26 0.92 5.03 -0.99 0.28 116.97 122.88 2hw0 h TYR 96 Ca 0.02 0.02 -0.10 0.00 2.58 0.00 0.00 58.73 61.24 2hw0 h TYR 96 Cb 1.12 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 39.29 2hw0 h TYR 96 CO 0.06 0.16 -0.28 0.00 -1.32 0.00 0.00 178.16 176.78 2hw0 n SER 98 N -4.10 0.46 0.28 0.00 2.88 -0.75 -3.34 113.62 109.05 2hw0 n SER 98 Ca -0.01 0.55 0.18 0.00 -1.33 0.00 0.00 58.87 58.27 2hw0 n SER 98 Cb 0.43 -0.67 0.96 0.00 -0.75 0.00 0.00 64.21 64.17 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 0.05 0.24 116.57 118.51 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 0.58 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.81 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 -1.73 -3.46 114.58 115.68 2hw0 h GLU 100 Ca 0.03 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2hw0 h GLU 100 Cb 0.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 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 0.31 1.50 2.84 -3.84 0.00 0.84 -4.63 105.19 102.21 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 -3.25 1.44 -0.17 1.61 2.47 -1.25 -5.07 114.94 110.72 2hw0 s ASN 102 Ca 0.00 -0.14 -0.13 0.00 0.42 0.00 0.00 52.86 53.01 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 -0.12 0.25 -0.76 -3.72 0.00 0.00 177.10 172.74 2hw0 s LEU 103 N 1.50 4.24 -0.09 3.21 2.01 -1.26 -0.22 118.68 128.06 2hw0 s LEU 103 Ca -0.02 0.44 0.19 0.00 0.01 0.00 0.00 54.13 54.75 2hw0 s LEU 103 Cb -0.13 -2.30 -0.26 0.00 0.01 0.00 0.00 46.19 43.51 2hw0 s LEU 103 CO -0.03 0.13 0.36 -0.11 1.01 0.00 0.00 176.35 177.70 2hw0 n LEU 104 N 3.52 0.15 -3.64 1.79 7.94 0.85 -4.67 117.00 122.95 2hw0 n LEU 104 Ca -0.13 0.07 -0.09 0.00 -1.11 0.00 0.00 56.01 54.75 2hw0 n LEU 104 Cb 0.52 0.24 -0.07 0.00 0.53 0.00 0.00 43.42 44.64 2hw0 n LEU 104 CO 0.39 0.25 0.60 -0.32 -1.11 0.00 0.00 177.39 177.20 2hw0 s MET 105 N -2.95 0.59 -0.25 1.96 0.00 -0.66 -4.94 119.30 113.05 2hw0 s MET 105 Ca -0.08 0.79 -0.01 0.00 0.00 0.00 0.00 55.69 56.39 2hw0 s MET 105 Cb 0.09 0.24 0.08 0.00 0.00 0.00 0.00 34.83 35.24 2hw0 s MET 105 CO 0.86 -0.09 0.04 -2.00 0.00 0.00 0.00 175.02 173.83 2hw0 s GLU 106 N 0.66 0.85 0.34 4.11 2.12 -1.26 -1.23 118.70 124.29 2hw0 s GLU 106 Ca -0.02 -0.79 -0.08 0.00 0.36 0.00 0.00 54.97 54.45 2hw0 s GLU 106 Cb -0.05 -2.15 0.02 0.00 0.26 0.00 0.00 34.13 32.21 2hw0 s GLU 106 CO -0.08 -0.77 0.57 0.00 -0.54 0.00 0.00 175.26 174.44 2hw0 n GLY 108 N -0.53 -2.05 3.73 0.00 0.00 -1.26 -2.32 105.19 102.76 2hw0 n GLY 108 Ca -0.02 -1.38 -0.22 0.00 0.00 0.00 0.00 46.02 44.39 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 -1.39 3.36 -1.14 4.61 0.00 0.73 -4.77 121.76 123.16 2hw0 s ALA 109 Ca 0.00 -1.55 -0.23 0.00 0.00 0.00 0.00 51.96 50.18 2hw0 s ALA 109 Cb 0.00 -1.02 -0.08 0.00 0.00 0.00 0.00 23.12 22.02 2hw0 s ALA 109 CO 0.00 0.26 1.94 -1.25 0.00 0.00 0.00 175.76 176.70 2hw0 s PRO 110 N -3.75 2.50 -0.11 0.00 0.04 -1.26 -4.31 135.00 128.11 2hw0 s PRO 110 Ca 0.32 -1.02 -0.29 0.00 0.04 0.00 0.00 61.00 60.05 2hw0 s PRO 110 Cb -0.07 -5.21 -0.04 0.00 0.04 0.00 0.00 34.50 29.22 2hw0 s PRO 110 CO 0.22 -3.88 1.47 1.03 0.04 0.00 0.00 177.00 175.87 2hw0 s ARG 111 N 6.56 4.20 -0.07 4.56 1.81 -1.26 -4.87 118.95 129.88 2hw0 s ARG 111 Ca 0.69 1.93 0.03 0.00 -1.72 0.00 0.00 55.73 56.66 2hw0 s ARG 111 Cb -0.02 -3.88 -0.02 0.00 -0.45 0.00 0.00 34.95 30.58 2hw0 s ARG 111 CO 0.11 -0.78 -0.18 -1.54 -0.68 0.00 0.00 175.30 172.23 2hw0 s SER 112 N 2.69 3.70 -0.41 0.23 1.04 -1.26 -3.42 113.70 116.27 2hw0 s SER 112 Ca 0.64 -0.34 -0.23 0.00 0.48 0.00 0.00 55.95 56.50 2hw0 s SER 112 Cb -0.28 -1.04 0.02 0.00 0.10 0.00 0.00 66.02 64.82 2hw0 s SER 112 CO 0.22 0.27 0.80 -1.58 0.98 0.00 0.00 173.24 173.92 2hw0 s GLN 113 N -0.26 3.58 -0.04 4.02 -0.44 -1.26 -4.90 119.66 120.36 2hw0 s GLN 113 Ca 0.01 0.11 -0.22 0.00 -2.50 0.00 0.00 55.36 52.76 2hw0 s GLN 113 Cb -0.13 -3.88 -0.04 0.00 -1.64 0.00 0.00 33.01 27.32 2hw0 s GLN 113 CO 0.03 -1.00 0.65 0.20 0.50 0.00 0.00 175.29 175.67 2hw0 s GLY 114 N 2.01 2.60 -0.08 2.59 0.00 -1.26 -4.88 107.32 108.29 2hw0 s GLY 114 Ca 0.31 0.07 -0.06 0.00 0.00 0.00 0.00 44.72 45.04 2hw0 s GLY 114 CO 0.20 0.99 -0.12 -1.06 0.00 0.00 0.00 173.10 173.11 2hw0 n GLN 115 N 3.37 0.26 0.00 2.90 3.00 -1.26 -5.26 117.38 120.39 2hw0 n GLN 115 Ca -0.04 0.33 0.00 0.00 -0.01 0.00 0.00 57.00 57.28 2hw0 n GLN 115 Cb 0.51 -1.21 0.00 0.00 0.00 0.00 0.00 30.24 29.54 2hw0 n GLN 115 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.06 179.95