#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 6.07 0.01 3.54 0.01 -1.26 -5.07 113.70 117.01 2hw0 s SER 3 Ca 0.00 -0.12 -0.02 0.00 1.31 0.00 0.00 55.95 57.13 2hw0 s SER 3 Cb 0.00 -2.14 -0.01 0.00 0.21 0.00 0.00 66.02 64.07 2hw0 s SER 3 CO 0.00 -0.15 0.02 -1.59 0.41 0.00 0.00 173.24 171.93 2hw0 s LYS 4 N 1.81 0.32 -0.23 12.44 0.00 -1.26 -5.14 119.74 127.68 2hw0 s LYS 4 Ca 0.08 -0.49 -0.06 0.00 0.00 0.00 0.00 55.97 55.51 2hw0 s LYS 4 Cb -0.16 0.12 -0.02 0.00 0.00 0.00 0.00 37.83 37.77 2hw0 s LYS 4 CO 0.11 -0.06 0.01 0.15 0.00 0.00 0.00 175.35 175.56 2hw0 s LYS 5 N -1.28 3.53 -0.36 1.78 -0.14 -1.26 -5.05 119.74 116.96 2hw0 s LYS 5 Ca -0.14 -0.55 -0.00 0.00 -1.36 0.00 0.00 55.97 53.92 2hw0 s LYS 5 Cb -0.08 -3.16 0.13 0.00 -1.68 0.00 0.00 37.83 33.04 2hw0 s LYS 5 CO -0.00 -0.17 0.20 -0.80 -0.76 0.00 0.00 175.35 173.82 2hw0 s ASN 6 N 1.47 3.26 0.00 2.83 -0.87 -1.26 -5.07 114.94 115.30 2hw0 s ASN 6 Ca 0.05 -2.11 0.00 0.00 -1.57 0.00 0.00 52.86 49.23 2hw0 s ASN 6 Cb -0.15 -0.55 0.00 0.00 -0.02 0.00 0.00 41.25 40.53 2hw0 s ASN 6 CO 0.00 -0.33 0.00 0.61 -2.57 0.00 0.00 177.10 174.82 2hw0 n GLY 7 N 4.17 0.73 3.03 0.66 0.00 -1.26 -5.13 105.19 107.39 2hw0 n GLY 7 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 2hw0 n GLY 7 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2hw0 s ARG 8 N 1.84 0.65 -0.41 1.61 3.52 -1.26 -5.07 118.95 119.83 2hw0 s ARG 8 Ca 0.00 -0.45 0.05 0.00 -0.13 0.00 0.00 55.73 55.20 2hw0 s ARG 8 Cb 0.00 -0.59 0.31 0.00 -1.56 0.00 0.00 34.95 33.10 2hw0 s ARG 8 CO 0.00 0.15 1.18 0.45 -0.81 0.00 0.00 175.30 176.28 2hw0 n SER 9 N 2.45 -1.98 0.00 -2.12 2.88 -1.26 -5.07 113.62 108.52 2hw0 n SER 9 Ca -0.16 -2.89 0.00 0.00 -1.33 0.00 0.00 58.87 54.49 2hw0 n SER 9 Cb 0.56 1.56 0.00 0.00 -0.75 0.00 0.00 64.21 65.59 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 0.70 -2.85 3.77 0.46 0.00 -1.26 -4.70 105.19 101.32 2hw0 n GLY 10 Ca 0.02 0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.13 4.03 0.23 1.61 0.04 -1.26 -5.06 135.00 132.46 2hw0 s PRO 11 Ca 0.00 1.88 0.09 0.00 0.04 0.00 0.00 61.00 63.01 2hw0 s PRO 11 Cb 0.00 -2.68 -0.05 0.00 0.04 0.00 0.00 34.50 31.81 2hw0 s PRO 11 CO 0.00 -0.35 -0.15 -0.65 0.04 0.00 0.00 177.00 175.89 2hw0 s GLN 12 N -2.30 1.44 0.47 4.56 -0.21 -1.26 -5.08 119.66 117.27 2hw0 s GLN 12 Ca 0.57 -1.65 -0.23 0.00 0.02 0.00 0.00 55.36 54.07 2hw0 s GLN 12 Cb -0.32 -1.28 -0.07 0.00 1.00 0.00 0.00 33.01 32.34 2hw0 s GLN 12 CO 0.40 0.21 1.16 -1.25 -2.12 0.00 0.00 175.29 173.69 2hw0 s PRO 13 N -3.62 3.73 0.36 2.91 0.04 -1.26 -4.89 135.00 132.27 2hw0 s PRO 13 Ca 0.25 1.76 0.05 0.00 0.04 0.00 0.00 61.00 63.10 2hw0 s PRO 13 Cb -0.01 -2.38 -0.03 0.00 0.04 0.00 0.00 34.50 32.12 2hw0 s PRO 13 CO 0.09 -0.57 0.20 -1.01 0.04 0.00 0.00 177.00 175.75 2hw0 s HIS 14 N -1.56 1.74 -0.63 0.56 3.76 -0.45 -4.68 115.29 114.03 2hw0 s HIS 14 Ca 0.64 -1.47 0.16 0.00 -0.15 0.00 0.00 55.06 54.24 2hw0 s HIS 14 Cb -0.28 -0.92 0.67 0.00 1.11 0.00 0.00 32.58 33.16 2hw0 s HIS 14 CO 0.34 -0.59 1.59 0.36 -0.85 0.00 0.00 174.74 175.59 2hw0 n LYS 15 N -0.74 3.83 -3.73 1.40 0.00 -1.26 -2.29 118.16 115.37 2hw0 n LYS 15 Ca 0.01 -2.89 -0.18 0.00 -0.00 0.00 0.00 58.31 55.24 2hw0 n LYS 15 Cb 0.64 -1.94 -0.17 0.00 -0.00 0.00 0.00 35.03 33.56 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 -2.28 0.00 -0.10 -1.58 0.52 -1.26 -0.04 118.95 114.21 2hw0 s ARG 16 Ca 0.48 0.28 -0.07 0.00 -0.52 0.00 0.00 55.73 55.89 2hw0 s ARG 16 Cb 0.34 -0.46 0.04 0.00 0.52 0.00 0.00 34.95 35.39 2hw0 s ARG 16 CO 0.18 -0.26 0.26 -1.58 0.02 0.00 0.00 175.30 173.91 2hw0 s TRP 17 N 1.74 -0.32 0.28 -0.53 0.52 -0.98 -3.89 118.94 115.75 2hw0 s TRP 17 Ca -0.00 0.77 0.07 0.00 0.02 0.00 0.00 56.10 56.95 2hw0 s TRP 17 Cb -0.12 0.09 -0.03 0.00 -1.15 0.00 0.00 33.47 32.25 2hw0 s TRP 17 CO -0.03 -0.19 0.21 0.14 0.02 0.00 0.00 176.95 177.10 2hw0 s VAL 18 N 0.66 4.12 0.02 4.03 -7.23 0.87 -1.99 120.40 120.88 2hw0 s VAL 18 Ca -0.04 -1.44 0.02 0.00 -1.81 0.00 0.00 61.98 58.71 2hw0 s VAL 18 Cb -0.06 -3.30 -0.01 0.00 0.56 0.00 0.00 36.38 33.57 2hw0 s VAL 18 CO -0.04 -0.30 -0.08 0.72 -0.31 0.00 0.00 175.10 175.09 2hw0 s PHE 19 N -2.20 0.67 -0.13 2.82 -0.71 -0.85 -1.68 117.98 115.90 2hw0 s PHE 19 Ca 0.35 -0.29 -0.07 0.00 -1.04 0.00 0.00 56.93 55.88 2hw0 s PHE 19 Cb -0.07 -0.41 0.06 0.00 -1.21 0.00 0.00 43.02 41.38 2hw0 s PHE 19 CO 0.25 -0.03 0.31 0.95 -1.34 0.00 0.00 175.22 175.36 2hw0 s THR 20 N -0.73 -0.12 -0.01 -4.49 -4.23 0.86 -2.67 115.64 104.25 2hw0 s THR 20 Ca -0.03 0.15 -0.01 0.00 -1.18 0.00 0.00 61.69 60.62 2hw0 s THR 20 Cb -0.06 -0.48 0.01 0.00 1.34 0.00 0.00 72.50 73.31 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 1.53 1.66 0.03 4.79 2.96 -0.71 -0.92 118.68 128.01 2hw0 s LEU 21 Ca -0.08 0.05 -0.23 0.00 -0.22 0.00 0.00 54.13 53.66 2hw0 s LEU 21 Cb -0.10 0.05 -0.05 0.00 0.50 0.00 0.00 46.19 46.59 2hw0 s LEU 21 CO -0.10 -0.04 0.69 0.54 -1.32 0.00 0.00 176.35 176.11 2hw0 s ASN 22 N 0.32 7.11 -0.86 3.68 2.20 -1.26 -0.64 114.94 125.48 2hw0 s ASN 22 Ca -0.03 1.32 -0.05 0.00 -0.94 0.00 0.00 52.86 53.17 2hw0 s ASN 22 Cb -0.04 -2.42 -0.00 0.00 -2.00 0.00 0.00 41.25 36.79 2hw0 s ASN 22 CO -0.01 0.06 0.70 -3.20 -2.94 0.00 0.00 177.10 171.71 2hw0 n ASN 23 N 2.74 -6.29 -4.77 3.54 4.05 0.86 -4.92 115.26 110.47 2hw0 n ASN 23 Ca -0.05 -0.59 -0.38 0.00 0.45 0.00 0.00 54.58 54.02 2hw0 n ASN 23 Cb 0.51 -3.73 -0.01 0.00 1.23 0.00 0.00 39.78 37.77 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 3.93 0.48 1.20 0.04 -1.26 -5.04 135.00 130.05 2hw0 s PRO 24 Ca 0.12 1.85 -0.01 0.00 0.04 0.00 0.00 61.00 63.00 2hw0 s PRO 24 Cb -0.04 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 31.92 2hw0 s PRO 24 CO 0.82 -0.42 0.72 -1.12 0.04 0.00 0.00 177.00 177.04 2hw0 s SER 25 N -1.18 5.75 0.45 6.66 0.01 -1.26 -4.94 113.70 119.19 2hw0 s SER 25 Ca 0.59 0.33 0.15 0.00 1.31 0.00 0.00 55.95 58.33 2hw0 s SER 25 Cb -0.31 -1.51 1.00 0.00 0.21 0.00 0.00 66.02 65.42 2hw0 s SER 25 CO 0.38 -0.80 1.99 1.05 0.41 0.00 0.00 173.24 176.27 2hw0 h GLU 26 N 0.27 0.00 0.05 12.44 4.11 -1.99 -1.52 114.58 127.94 2hw0 h GLU 26 Ca -0.46 0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.78 2hw0 h GLU 26 Cb 1.26 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.52 2hw0 h GLU 26 CO 0.57 0.19 -0.78 -0.44 0.07 0.00 0.00 179.01 178.62 2hw0 h ASP 27 N 0.00 0.59 -0.08 3.06 3.32 -1.98 -2.35 116.42 118.98 2hw0 h ASP 27 Ca -0.00 -0.81 -0.00 0.00 0.02 0.00 0.00 57.03 56.23 2hw0 h ASP 27 Cb 0.33 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 2hw0 h ASP 27 CO 0.02 1.34 0.04 -0.08 -1.72 0.00 0.00 179.24 178.85 2hw0 h GLU 28 N -0.08 0.11 -0.21 3.56 4.57 -1.89 0.13 114.58 120.78 2hw0 h GLU 28 Ca -0.11 -0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 57.99 2hw0 h GLU 28 Cb 1.51 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 30.06 2hw0 h GLU 28 CO 0.15 0.17 -0.16 0.00 -1.18 0.00 0.00 179.01 177.99 2hw0 h ARG 29 N 0.03 0.35 -0.35 1.92 3.08 -1.40 -2.51 114.38 115.49 2hw0 h ARG 29 Ca 0.03 -0.10 -0.17 0.00 0.07 0.00 0.00 59.98 59.81 2hw0 h ARG 29 Cb 0.09 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.10 2hw0 h ARG 29 CO -0.00 0.51 -0.43 0.87 -1.07 0.00 0.00 179.97 179.85 2hw0 h LYS 30 N 0.32 0.90 0.19 0.04 1.57 -1.09 -0.19 116.57 118.31 2hw0 h LYS 30 Ca 0.06 -0.50 -0.01 0.00 -1.87 0.00 0.00 60.65 58.33 2hw0 h LYS 30 Cb 0.48 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2hw0 h LYS 30 CO 0.03 1.14 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.75 2hw0 h LYS 31 N 0.72 -0.24 -0.54 3.15 3.64 -0.69 0.29 116.57 122.90 2hw0 h LYS 31 Ca 0.05 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 2hw0 h LYS 31 Cb 1.02 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.88 2hw0 h LYS 31 CO 0.10 -0.07 -0.07 0.82 -2.27 0.00 0.00 179.45 177.96 2hw0 h ILE 32 N -0.36 1.26 0.00 2.00 2.04 -1.49 -2.15 117.51 118.81 2hw0 h ILE 32 Ca -0.03 -1.20 -0.01 0.00 1.00 0.00 0.00 64.86 64.63 2hw0 h ILE 32 Cb 0.28 0.92 -0.00 0.00 -0.74 0.00 0.00 36.82 37.28 2hw0 h ILE 32 CO 0.04 0.42 -0.07 -0.09 0.00 0.00 0.00 178.15 178.46 2hw0 h ARG 33 N 0.88 0.00 -0.59 2.37 2.43 -0.91 -2.51 114.38 116.04 2hw0 h ARG 33 Ca 0.15 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 2hw0 h ARG 33 Cb 0.61 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2hw0 h ARG 33 CO 0.04 0.07 0.00 -0.25 -1.51 0.00 0.00 179.97 178.32 2hw0 n ASP 34 N -3.18 3.58 -4.74 -3.80 8.00 0.10 -4.98 116.55 111.54 2hw0 n ASP 34 Ca 0.01 -1.99 -0.31 0.00 0.71 0.00 0.00 54.79 53.21 2hw0 n ASP 34 Cb 0.37 -0.39 0.11 0.00 -0.02 0.00 0.00 41.12 41.19 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 -1.16 2.92 -0.13 0.64 1.43 -0.85 -4.94 118.68 116.59 2hw0 s LEU 35 Ca 0.44 1.89 -0.29 0.00 -1.03 0.00 0.00 54.13 55.14 2hw0 s LEU 35 Cb 0.24 -4.48 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 2hw0 s LEU 35 CO 0.31 -2.36 1.55 -2.16 0.23 0.00 0.00 176.35 173.92 2hw0 s PRO 36 N -4.84 4.09 0.27 1.29 0.04 -1.26 -4.90 135.00 129.68 2hw0 s PRO 36 Ca 0.63 1.92 0.03 0.00 0.04 0.00 0.00 61.00 63.61 2hw0 s PRO 36 Cb -0.19 -3.95 0.36 0.00 0.04 0.00 0.00 34.50 30.77 2hw0 s PRO 36 CO 0.57 -0.94 1.67 -0.84 0.04 0.00 0.00 177.00 177.50 2hw0 h ILE 37 N 5.71 1.29 0.00 0.56 3.07 -1.92 -2.62 117.51 123.61 2hw0 h ILE 37 Ca -0.35 -1.45 -0.02 0.00 1.55 0.00 0.00 64.86 64.60 2hw0 h ILE 37 Cb 1.15 1.53 -0.00 0.00 -0.27 0.00 0.00 36.82 39.23 2hw0 h ILE 37 CO 0.97 0.45 -0.08 0.28 -1.05 0.00 0.00 178.15 178.72 2hw0 h SER 38 N 0.36 0.00 0.76 2.16 0.02 -1.99 -2.11 113.55 112.76 2hw0 h SER 38 Ca 0.04 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.87 2hw0 h SER 38 Cb 0.79 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.32 2hw0 h SER 38 CO 0.06 0.08 -0.56 0.25 -1.14 0.00 0.00 176.83 175.52 2hw0 h LEU 39 N 0.00 0.00 -7.80 5.07 6.46 -1.87 -3.42 115.31 113.76 2hw0 h LEU 39 Ca -0.00 0.00 -0.62 0.00 -0.12 0.00 0.00 57.88 57.14 2hw0 h LEU 39 Cb 0.37 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 39.93 2hw0 h LEU 39 CO 0.01 0.56 -0.81 -0.36 -0.62 0.00 0.00 178.44 177.22 2hw0 s PHE 40 N -3.51 2.44 0.55 1.25 0.40 -0.79 -2.70 117.98 115.63 2hw0 s PHE 40 Ca -0.00 -1.61 0.29 0.00 -0.60 0.00 0.00 56.93 55.01 2hw0 s PHE 40 Cb 0.12 -1.65 1.46 0.00 0.51 0.00 0.00 43.02 43.45 2hw0 s PHE 40 CO 0.74 -0.75 1.93 -0.44 0.70 0.00 0.00 175.22 177.40 2hw0 h ASP 41 N 7.97 0.00 -3.39 1.36 5.19 -1.66 -3.39 116.42 122.50 2hw0 h ASP 41 Ca -0.28 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 55.77 2hw0 h ASP 41 Cb 1.10 0.00 -0.36 0.00 0.18 0.00 0.00 39.33 40.24 2hw0 h ASP 41 CO 0.48 0.00 -0.74 -0.47 -3.12 0.00 0.00 179.24 175.38 2hw0 s TYR 42 N -4.89 0.23 -0.14 4.55 5.04 -1.24 -0.59 117.35 120.30 2hw0 s TYR 42 Ca -0.05 0.09 -0.02 0.00 -2.44 0.00 0.00 57.07 54.65 2hw0 s TYR 42 Cb 0.19 -0.47 0.05 0.00 0.35 0.00 0.00 41.96 42.08 2hw0 s TYR 42 CO 0.70 -0.18 0.01 0.12 -1.34 0.00 0.00 175.55 174.86 2hw0 s PHE 43 N 1.60 0.99 -0.08 4.97 2.19 -1.00 -0.00 117.98 126.64 2hw0 s PHE 43 Ca -0.02 -0.63 -0.02 0.00 0.33 0.00 0.00 56.93 56.59 2hw0 s PHE 43 Cb -0.13 -0.99 0.04 0.00 -1.31 0.00 0.00 43.02 40.63 2hw0 s PHE 43 CO -0.03 -0.51 0.04 -1.50 1.83 0.00 0.00 175.22 175.05 2hw0 s ILE 44 N 1.87 0.12 -0.03 3.12 2.07 -0.45 -1.27 121.20 126.62 2hw0 s ILE 44 Ca 0.02 0.15 0.06 0.00 -1.41 0.00 0.00 60.65 59.46 2hw0 s ILE 44 Cb -0.15 -0.42 -0.01 0.00 0.13 0.00 0.00 42.46 42.01 2hw0 s ILE 44 CO -0.07 0.11 -0.21 -0.69 -1.91 0.00 0.00 174.94 172.17 2hw0 s VAL 45 N 2.07 1.69 -0.01 4.00 1.01 -0.56 0.02 120.40 128.63 2hw0 s VAL 45 Ca 0.04 -0.89 0.03 0.00 0.00 0.00 0.00 61.98 61.16 2hw0 s VAL 45 Cb -0.13 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.81 2hw0 s VAL 45 CO -0.05 0.48 -0.10 -0.83 0.00 0.00 0.00 175.10 174.60 2hw0 s GLY 46 N -0.26 0.50 -0.06 4.51 0.00 -0.64 -0.29 107.32 111.08 2hw0 s GLY 46 Ca 0.02 -0.43 -0.18 0.00 0.00 0.00 0.00 44.72 44.13 2hw0 s GLY 46 CO 0.01 -0.35 0.49 1.85 0.00 0.00 0.00 173.10 175.10 2hw0 s GLU 47 N -0.22 4.23 -0.30 2.90 -6.30 0.84 -2.30 118.70 117.55 2hw0 s GLU 47 Ca 0.04 0.51 -0.11 0.00 -2.50 0.00 0.00 54.97 52.91 2hw0 s GLU 47 Cb -0.04 -3.36 -0.03 0.00 0.00 0.00 0.00 34.13 30.71 2hw0 s GLU 47 CO -0.00 0.35 0.19 -2.00 0.02 0.00 0.00 175.26 173.81 2hw0 s GLU 48 N -0.04 3.63 -0.44 4.30 2.56 -0.16 -3.80 118.70 124.75 2hw0 s GLU 48 Ca 0.27 -0.53 0.06 0.00 0.00 0.00 0.00 54.97 54.76 2hw0 s GLU 48 Cb -0.16 -3.65 0.31 0.00 2.00 0.00 0.00 34.13 32.62 2hw0 s GLU 48 CO 0.13 -0.32 1.13 0.41 -0.56 0.00 0.00 175.26 176.04 2hw0 n GLY 49 N 5.04 0.21 1.00 -1.50 0.00 -1.26 -1.89 105.19 106.78 2hw0 n GLY 49 Ca -0.14 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 0.58 2.19 -3.51 1.61 4.05 -1.26 -4.96 115.26 113.96 2hw0 n ASN 50 Ca 0.05 -3.64 -0.17 0.00 0.45 0.00 0.00 54.58 51.27 2hw0 n ASN 50 Cb 0.70 -0.47 -0.13 0.00 1.23 0.00 0.00 39.78 41.11 2hw0 n ASN 50 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 2hw0 s GLU 51 N -2.99 0.19 0.48 1.20 2.12 -1.26 -5.14 118.70 113.30 2hw0 s GLU 51 Ca 0.40 0.31 -0.22 0.00 0.36 0.00 0.00 54.97 55.82 2hw0 s GLU 51 Cb 0.38 -0.97 -0.07 0.00 0.26 0.00 0.00 34.13 33.73 2hw0 s GLU 51 CO -0.06 -0.60 1.12 -1.83 -0.54 0.00 0.00 175.26 173.35 2hw0 s GLU 52 N 2.35 3.72 0.00 4.30 -1.05 -1.26 -3.23 118.70 123.53 2hw0 s GLU 52 Ca 0.07 1.63 0.00 0.00 -0.15 0.00 0.00 54.97 56.51 2hw0 s GLU 52 Cb -0.15 -2.27 0.00 0.00 -0.44 0.00 0.00 34.13 31.26 2hw0 s GLU 52 CO -0.12 -0.55 0.00 0.41 0.95 0.00 0.00 175.26 175.96 2hw0 n GLY 53 N 0.25 3.29 3.62 -3.83 0.00 -1.26 -5.02 105.19 102.23 2hw0 n GLY 53 Ca 0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.86 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 2.21 0.55 1.61 3.52 -1.20 -5.13 118.95 119.91 2hw0 s ARG 54 Ca 0.00 -1.39 -0.09 0.00 -0.13 0.00 0.00 55.73 54.12 2hw0 s ARG 54 Cb 0.00 -2.15 -0.04 0.00 -1.56 0.00 0.00 34.95 31.20 2hw0 s ARG 54 CO 0.00 0.38 0.92 0.95 -0.81 0.00 0.00 175.30 176.75 2hw0 s THR 55 N -2.16 4.79 0.82 4.11 -4.23 -1.26 -4.91 115.64 112.79 2hw0 s THR 55 Ca 0.30 0.61 -0.11 0.00 -1.18 0.00 0.00 61.69 61.31 2hw0 s THR 55 Cb -0.07 -3.86 0.08 0.00 1.34 0.00 0.00 72.50 69.99 2hw0 s THR 55 CO 0.18 -1.00 1.09 -2.16 -0.54 0.00 0.00 174.62 172.20 2hw0 s PRO 56 N -4.93 1.87 -0.00 3.99 0.04 -1.26 -4.78 135.00 129.93 2hw0 s PRO 56 Ca 0.52 1.03 -0.00 0.00 0.04 0.00 0.00 61.00 62.59 2hw0 s PRO 56 Cb -0.11 -1.86 -0.00 0.00 0.04 0.00 0.00 34.50 32.57 2hw0 s PRO 56 CO 0.49 -1.87 0.00 -1.58 0.04 0.00 0.00 177.00 174.08 2hw0 s HIS 57 N -2.92 0.01 -0.35 0.56 2.46 -0.79 -0.09 115.29 114.16 2hw0 s HIS 57 Ca 0.62 -0.01 -0.18 0.00 0.47 0.00 0.00 55.06 55.96 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 0.50 -1.17 -2.47 0.00 0.00 174.74 172.16 2hw0 s LEU 58 N -0.07 4.36 -0.17 8.88 0.20 0.19 -0.99 118.68 131.08 2hw0 s LEU 58 Ca -0.01 -0.05 -0.01 0.00 0.69 0.00 0.00 54.13 54.76 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 -0.47 -0.04 -1.58 -0.29 0.00 0.00 176.35 173.97 2hw0 s GLN 59 N 2.37 1.27 0.25 1.98 2.00 -0.97 -1.73 119.66 124.82 2hw0 s GLN 59 Ca 0.18 -0.48 -0.12 0.00 -2.00 0.00 0.00 55.36 52.94 2hw0 s GLN 59 Cb -0.16 -1.97 -0.00 0.00 0.80 0.00 0.00 33.01 31.69 2hw0 s GLN 59 CO 0.13 -0.46 0.48 0.20 -0.50 0.00 0.00 175.29 175.14 2hw0 s GLY 60 N 1.68 0.58 -0.00 2.59 0.00 -1.09 -1.62 107.32 109.46 2hw0 s GLY 60 Ca 0.01 -0.91 0.04 0.00 0.00 0.00 0.00 44.72 43.85 2hw0 s GLY 60 CO -0.07 -0.65 -0.12 -0.12 0.00 0.00 0.00 173.10 172.14 2hw0 s PHE 61 N -3.96 1.03 -0.05 1.90 5.36 0.10 -2.00 117.98 120.37 2hw0 s PHE 61 Ca 0.23 -0.22 0.00 0.00 -0.96 0.00 0.00 56.93 55.98 2hw0 s PHE 61 Cb -0.01 -0.66 0.02 0.00 -0.34 0.00 0.00 43.02 42.04 2hw0 s PHE 61 CO 0.10 -0.01 -0.02 0.00 -1.46 0.00 0.00 175.22 173.82 2hw0 s ALA 62 N -0.36 0.61 -0.29 11.12 0.00 -0.84 -1.34 121.76 130.66 2hw0 s ALA 62 Ca 0.04 -0.03 -0.18 0.00 0.00 0.00 0.00 51.96 51.78 2hw0 s ALA 62 Cb -0.05 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.54 2hw0 s ALA 62 CO -0.00 -0.19 0.52 1.21 0.00 0.00 0.00 175.76 177.31 2hw0 s ASN 63 N 1.31 6.41 0.03 0.00 3.84 0.99 -2.32 114.94 125.20 2hw0 s ASN 63 Ca -0.05 0.37 -0.30 0.00 0.21 0.00 0.00 52.86 53.09 2hw0 s ASN 63 Cb -0.13 -2.28 -0.05 0.00 -0.55 0.00 0.00 41.25 38.23 2hw0 s ASN 63 CO -0.02 -0.35 1.24 -0.36 -2.79 0.00 0.00 177.10 174.82 2hw0 s PHE 64 N 2.36 3.28 0.57 0.43 0.08 0.94 -2.47 117.98 123.18 2hw0 s PHE 64 Ca 0.21 1.18 0.30 0.00 0.12 0.00 0.00 56.93 58.75 2hw0 s PHE 64 Cb -0.15 -3.47 1.81 0.00 -0.57 0.00 0.00 43.02 40.63 2hw0 s PHE 64 CO 0.11 -1.53 2.24 0.28 -0.10 0.00 0.00 175.22 176.21 2hw0 h VAL 65 N 4.67 0.50 -4.19 -0.44 2.07 -1.78 -3.42 116.25 113.66 2hw0 h VAL 65 Ca -0.39 -0.08 -0.29 0.00 0.82 0.00 0.00 66.70 66.76 2hw0 h VAL 65 Cb 1.20 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 31.96 2hw0 h VAL 65 CO 0.85 0.02 -0.23 2.29 0.02 0.00 0.00 177.57 180.52 2hw0 n LYS 66 N -3.77 1.08 -3.14 1.57 0.00 -1.26 -5.00 118.16 107.65 2hw0 n LYS 66 Ca -0.03 -1.71 -0.40 0.00 -0.00 0.00 0.00 58.31 56.17 2hw0 n LYS 66 Cb 0.10 0.69 -0.06 0.00 -0.00 0.00 0.00 35.03 35.76 2hw0 n LYS 66 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2hw0 s LYS 67 N -2.81 4.17 0.07 -1.58 2.47 -1.26 -4.20 119.74 116.61 2hw0 s LYS 67 Ca 0.05 0.56 0.02 0.00 -1.56 0.00 0.00 55.97 55.04 2hw0 s LYS 67 Cb 0.00 -3.60 -0.03 0.00 -1.46 0.00 0.00 37.83 32.74 2hw0 s LYS 67 CO 0.04 -0.28 -0.08 -0.65 0.16 0.00 0.00 175.35 174.54 2hw0 s GLN 68 N 2.05 0.71 0.58 4.03 -0.21 -0.97 -4.88 119.66 120.98 2hw0 s GLN 68 Ca 0.27 -1.06 0.02 0.00 0.02 0.00 0.00 55.36 54.61 2hw0 s GLN 68 Cb -0.16 -0.32 0.06 0.00 1.00 0.00 0.00 33.01 33.60 2hw0 s GLN 68 CO 0.10 0.03 0.81 0.95 -2.12 0.00 0.00 175.29 175.06 2hw0 s THR 69 N -2.45 2.53 0.06 -0.19 -4.23 -1.26 -1.34 115.64 108.76 2hw0 s THR 69 Ca 0.02 -0.71 -0.29 0.00 -1.18 0.00 0.00 61.69 59.53 2hw0 s THR 69 Cb -0.03 -2.82 -0.17 0.00 1.34 0.00 0.00 72.50 70.82 2hw0 s THR 69 CO -0.02 0.00 1.55 0.15 -0.54 0.00 0.00 174.62 175.76 2hw0 h PHE 70 N -0.01 -0.54 -0.74 3.99 3.57 -1.98 0.32 116.94 121.55 2hw0 h PHE 70 Ca -0.39 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.08 2hw0 h PHE 70 Cb 1.29 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 40.17 2hw0 h PHE 70 CO 0.24 -0.29 0.41 -0.91 -2.23 0.00 0.00 178.31 175.54 2hw0 h ASN 71 N -0.67 0.92 -0.08 0.41 2.35 -2.00 -2.67 115.58 113.84 2hw0 h ASN 71 Ca -0.06 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.59 2hw0 h ASN 71 Cb 0.49 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.62 2hw0 h ASN 71 CO 0.10 0.75 0.02 0.50 -1.65 0.00 0.00 177.43 177.15 2hw0 h LYS 72 N 1.02 0.12 -0.42 0.81 3.11 -1.93 -2.57 116.57 116.72 2hw0 h LYS 72 Ca 0.26 -0.03 0.12 0.00 -2.81 0.00 0.00 60.65 58.19 2hw0 h LYS 72 Cb 0.03 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.23 2hw0 h LYS 72 CO -0.04 0.30 0.41 0.28 -2.81 0.00 0.00 179.45 177.58 2hw0 h VAL 73 N -0.08 0.46 0.00 2.00 2.07 -0.18 0.35 116.25 120.88 2hw0 h VAL 73 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 2hw0 h VAL 73 Cb 0.23 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 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 -3.87 0.06 0.28 1.57 5.02 -0.97 -1.63 118.16 118.63 2hw0 n LYS 74 Ca 0.07 0.45 0.17 0.00 -2.02 0.00 0.00 58.31 56.99 2hw0 n LYS 74 Cb 0.59 -1.67 0.69 0.00 -0.02 0.00 0.00 35.03 34.63 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 -0.42 -0.48 115.95 122.27 2hw0 h TRP 75 Ca 0.00 0.00 -0.13 0.00 1.08 0.00 0.00 58.89 59.84 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 0.02 -1.37 0.66 -1.28 0.00 0.00 178.44 176.47 2hw0 n TYR 76 N -3.12 0.00 0.03 0.12 4.01 -0.64 -4.70 117.16 112.85 2hw0 n TYR 76 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.70 2hw0 n TYR 76 Cb 0.30 -0.30 0.19 0.00 -0.31 0.00 0.00 39.34 39.22 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 -0.32 0.46 0.00 7.72 3.38 -1.55 -3.48 115.31 121.52 2hw0 h LEU 77 Ca -0.20 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2hw0 h LEU 77 Cb 1.10 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2hw0 h LEU 77 CO -0.12 0.75 0.00 0.61 0.09 0.00 0.00 178.44 179.77 2hw0 n GLY 78 N -0.27 -0.17 0.16 0.83 0.00 -0.19 -4.58 105.19 100.97 2hw0 n GLY 78 Ca -0.01 -1.54 0.03 0.00 0.00 0.00 0.00 46.02 44.50 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 0.82 -0.96 4.61 0.00 -1.96 -3.21 119.26 118.55 2hw0 h ALA 79 Ca 0.00 -0.45 0.18 0.00 0.00 0.00 0.00 54.91 54.64 2hw0 h ALA 79 Cb 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.62 2hw0 h ALA 79 CO 0.00 0.62 0.61 0.00 0.00 0.00 0.00 179.25 180.48 2hw0 h ARG 80 N 0.00 0.67 -5.77 0.00 3.08 -1.95 -3.40 114.38 107.01 2hw0 h ARG 80 Ca -0.00 -0.04 -0.66 0.00 0.07 0.00 0.00 59.98 59.34 2hw0 h ARG 80 Cb 1.16 -0.15 -0.08 0.00 0.08 0.00 0.00 29.97 30.98 2hw0 h ARG 80 CO 0.06 0.44 -0.52 0.00 -1.07 0.00 0.00 179.97 178.89 2hw0 s HIS 82 N -1.09 3.47 0.05 0.00 2.46 -0.10 -4.83 115.29 115.26 2hw0 s HIS 82 Ca 0.18 1.51 0.06 0.00 0.47 0.00 0.00 55.06 57.28 2hw0 s HIS 82 Cb -0.12 -3.24 -0.04 0.00 -0.13 0.00 0.00 32.58 29.05 2hw0 s HIS 82 CO 0.08 -0.50 -0.13 0.96 -2.47 0.00 0.00 174.74 172.68 2hw0 s ILE 83 N 1.78 3.20 0.15 0.89 -4.36 -1.26 -0.10 121.20 121.50 2hw0 s ILE 83 Ca 0.52 -1.12 -0.09 0.00 -0.26 0.00 0.00 60.65 59.69 2hw0 s ILE 83 Cb -0.21 -2.41 -0.01 0.00 1.25 0.00 0.00 42.46 41.08 2hw0 s ILE 83 CO 0.22 0.27 0.28 -0.70 0.24 0.00 0.00 174.94 175.25 2hw0 s GLU 84 N -1.71 1.12 0.10 0.37 2.12 -0.68 -4.97 118.70 115.06 2hw0 s GLU 84 Ca 0.17 -1.13 -0.30 0.00 0.36 0.00 0.00 54.97 54.07 2hw0 s GLU 84 Cb -0.11 0.38 -0.06 0.00 0.26 0.00 0.00 34.13 34.60 2hw0 s GLU 84 CO 0.09 -0.41 1.11 0.15 -0.54 0.00 0.00 175.26 175.66 2hw0 s LYS 85 N -3.95 4.54 0.34 4.30 1.02 -1.26 -0.09 119.74 124.64 2hw0 s LYS 85 Ca 0.15 1.67 -0.02 0.00 0.02 0.00 0.00 55.97 57.79 2hw0 s LYS 85 Cb 0.03 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.97 2hw0 s LYS 85 CO -0.02 -0.05 0.57 0.00 -0.92 0.00 0.00 175.35 174.93 2hw0 s ALA 86 N 0.44 3.65 -0.08 5.17 0.00 -1.25 -4.84 121.76 124.84 2hw0 s ALA 86 Ca 0.53 -0.76 -0.11 0.00 0.00 0.00 0.00 51.96 51.62 2hw0 s ALA 86 Cb -0.28 -2.22 0.03 0.00 0.00 0.00 0.00 23.12 20.65 2hw0 s ALA 86 CO 0.31 0.03 0.29 -1.59 0.00 0.00 0.00 175.76 174.80 2hw0 s LYS 87 N -4.12 0.43 0.00 0.00 -2.85 -1.26 -4.93 119.74 107.01 2hw0 s LYS 87 Ca 0.42 0.23 0.00 0.00 -1.00 0.00 0.00 55.97 55.62 2hw0 s LYS 87 Cb -0.10 0.20 0.00 0.00 -2.06 0.00 0.00 37.83 35.87 2hw0 s LYS 87 CO 0.35 -0.08 0.00 0.41 0.10 0.00 0.00 175.35 176.13 2hw0 n GLY 88 N 2.46 0.68 3.98 0.59 0.00 -1.26 -4.79 105.19 106.84 2hw0 n GLY 88 Ca -0.15 -2.27 -0.23 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.72 2.29 0.28 2.61 -4.23 -1.26 -4.77 115.64 109.84 2hw0 s THR 89 Ca 0.00 -0.54 0.01 0.00 -1.18 0.00 0.00 61.69 59.98 2hw0 s THR 89 Cb 0.00 -2.75 0.28 0.00 1.34 0.00 0.00 72.50 71.37 2hw0 s THR 89 CO 0.00 0.00 1.82 -2.24 -0.54 0.00 0.00 174.62 173.66 2hw0 h ASP 90 N -0.43 0.89 -0.04 3.99 2.03 -1.73 -0.25 116.42 120.87 2hw0 h ASP 90 Ca -0.39 0.06 -0.13 0.00 -0.73 0.00 0.00 57.03 55.83 2hw0 h ASP 90 Cb 1.28 -0.12 -0.01 0.00 -0.83 0.00 0.00 39.33 39.65 2hw0 h ASP 90 CO 0.46 0.45 -0.40 1.56 -1.03 0.00 0.00 179.24 180.28 2hw0 h GLN 91 N 0.95 0.56 -0.56 4.15 1.08 -1.94 0.26 115.11 119.62 2hw0 h GLN 91 Ca 0.50 -0.29 -0.08 0.00 -1.45 0.00 0.00 58.65 57.34 2hw0 h GLN 91 Cb 0.54 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 2hw0 h GLN 91 CO -0.28 0.87 0.05 1.96 -0.95 0.00 0.00 178.83 180.48 2hw0 h GLN 92 N 0.47 0.95 0.15 1.46 7.50 -1.46 0.94 115.11 125.11 2hw0 h GLN 92 Ca 0.04 -0.28 -0.22 0.00 0.50 0.00 0.00 58.65 58.69 2hw0 h GLN 92 Cb 0.90 -0.10 0.02 0.00 0.05 0.00 0.00 27.48 28.36 2hw0 h GLN 92 CO 0.08 0.93 -0.95 -0.91 -1.50 0.00 0.00 178.83 176.49 2hw0 h ASN 93 N 0.84 0.58 -0.52 1.46 -0.26 -1.12 -2.22 115.58 114.35 2hw0 h ASN 93 Ca 0.17 -0.92 -0.01 0.00 -0.56 0.00 0.00 56.30 54.97 2hw0 h ASN 93 Cb 0.47 -0.19 -0.02 0.00 -1.06 0.00 0.00 38.32 37.52 2hw0 h ASN 93 CO 0.02 1.45 0.27 0.50 -1.06 0.00 0.00 177.43 178.61 2hw0 h LYS 94 N -0.20 0.74 -0.19 0.81 3.64 -0.48 -2.34 116.57 118.55 2hw0 h LYS 94 Ca -0.16 -0.10 -0.16 0.00 -1.27 0.00 0.00 60.65 58.97 2hw0 h LYS 94 Cb 1.73 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.40 2hw0 h LYS 94 CO 0.18 0.59 -0.52 0.93 -2.27 0.00 0.00 179.45 178.35 2hw0 h GLU 95 N 0.70 0.55 -0.29 1.90 5.08 -0.92 -2.58 114.58 119.01 2hw0 h GLU 95 Ca 0.18 -0.34 0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2hw0 h GLU 95 Cb 0.08 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.33 2hw0 h GLU 95 CO -0.03 0.94 0.09 -0.92 -1.00 0.00 0.00 179.01 178.09 2hw0 h TYR 96 N 0.43 0.15 -0.25 4.33 3.20 -1.10 0.27 116.97 124.01 2hw0 h TYR 96 Ca 0.01 0.02 -0.11 0.00 3.14 0.00 0.00 58.73 61.79 2hw0 h TYR 96 Cb 1.06 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.29 2hw0 h TYR 96 CO 0.04 0.06 -0.30 0.00 -1.64 0.00 0.00 178.16 176.33 2hw0 n SER 98 N -4.09 0.46 0.28 0.00 2.88 -0.84 -3.26 113.62 109.05 2hw0 n SER 98 Ca -0.01 0.56 0.18 0.00 -1.33 0.00 0.00 58.87 58.28 2hw0 n SER 98 Cb 0.44 -0.68 0.96 0.00 -0.75 0.00 0.00 64.21 64.19 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 0.04 0.21 116.57 119.01 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 0.55 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2hw0 h LYS 99 CO 0.00 0.00 -0.01 0.93 -2.27 0.00 0.00 179.45 178.10 2hw0 h GLU 100 N 0.00 0.00 0.00 1.90 5.08 -1.73 -3.46 114.58 116.37 2hw0 h GLU 100 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 2hw0 h GLU 100 Cb 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2hw0 h GLU 100 CO -0.00 0.01 0.00 0.41 -1.00 0.00 0.00 179.01 178.43 2hw0 n GLY 101 N 0.30 1.36 2.88 -3.84 0.00 0.75 -4.58 105.19 102.06 2hw0 n GLY 101 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.18 1.61 -0.17 1.61 3.84 -1.25 -5.07 114.94 112.34 2hw0 s ASN 102 Ca 0.00 -0.19 -0.12 0.00 0.21 0.00 0.00 52.86 52.75 2hw0 s ASN 102 Cb 0.00 -0.62 -0.05 0.00 -0.55 0.00 0.00 41.25 40.03 2hw0 s ASN 102 CO 0.00 -0.10 0.24 -0.76 -2.79 0.00 0.00 177.10 173.68 2hw0 s LEU 103 N 1.41 4.24 -0.20 3.21 2.01 -1.26 -0.11 118.68 127.98 2hw0 s LEU 103 Ca -0.02 0.41 0.17 0.00 0.01 0.00 0.00 54.13 54.70 2hw0 s LEU 103 Cb -0.13 -2.27 -0.24 0.00 0.01 0.00 0.00 46.19 43.55 2hw0 s LEU 103 CO -0.03 0.13 0.08 -0.11 1.01 0.00 0.00 176.35 177.42 2hw0 n LEU 104 N 3.52 0.20 -3.63 1.79 -0.00 0.61 -4.70 117.00 114.79 2hw0 n LEU 104 Ca -0.13 0.01 -0.12 0.00 -0.00 0.00 0.00 56.01 55.77 2hw0 n LEU 104 Cb 0.52 0.41 -0.07 0.00 -0.00 0.00 0.00 43.42 44.28 2hw0 n LEU 104 CO 0.39 0.52 0.39 -0.32 -0.00 0.00 0.00 177.39 178.37 2hw0 s MET 105 N -2.50 0.79 -0.25 1.96 0.00 -0.45 -4.96 119.30 113.89 2hw0 s MET 105 Ca -0.11 1.07 -0.01 0.00 0.00 0.00 0.00 55.69 56.64 2hw0 s MET 105 Cb 0.06 0.32 0.08 0.00 0.00 0.00 0.00 34.83 35.29 2hw0 s MET 105 CO 0.82 -0.12 0.05 -2.00 0.00 0.00 0.00 175.02 173.77 2hw0 s GLU 106 N 0.79 0.87 0.33 4.11 2.12 -1.26 -1.49 118.70 124.17 2hw0 s GLU 106 Ca -0.03 -0.82 -0.07 0.00 0.36 0.00 0.00 54.97 54.41 2hw0 s GLU 106 Cb -0.05 -2.16 0.01 0.00 0.26 0.00 0.00 34.13 32.19 2hw0 s GLU 106 CO -0.06 -0.78 0.53 0.00 -0.54 0.00 0.00 175.26 174.41 2hw0 n GLY 108 N -0.52 -1.74 3.73 0.00 0.00 -1.26 -2.38 105.19 103.02 2hw0 n GLY 108 Ca -0.01 -1.33 -0.22 0.00 0.00 0.00 0.00 46.02 44.45 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 -1.84 3.35 -0.70 4.61 0.00 0.25 -4.74 121.76 122.69 2hw0 s ALA 109 Ca 0.00 -1.55 -0.26 0.00 0.00 0.00 0.00 51.96 50.15 2hw0 s ALA 109 Cb 0.00 -1.01 -0.03 0.00 0.00 0.00 0.00 23.12 22.08 2hw0 s ALA 109 CO 0.00 0.26 1.89 -1.25 0.00 0.00 0.00 175.76 176.66 2hw0 s PRO 110 N -3.75 2.60 -0.12 0.00 0.04 -1.26 -4.28 135.00 128.23 2hw0 s PRO 110 Ca 0.32 0.33 -0.29 0.00 0.04 0.00 0.00 61.00 61.40 2hw0 s PRO 110 Cb -0.07 -4.59 -0.03 0.00 0.04 0.00 0.00 34.50 29.84 2hw0 s PRO 110 CO 0.22 -2.93 1.47 1.03 0.04 0.00 0.00 177.00 176.83 2hw0 s ARG 111 N 7.04 4.17 0.60 4.56 1.81 -1.26 -4.80 118.95 131.07 2hw0 s ARG 111 Ca 0.68 1.90 0.07 0.00 -1.72 0.00 0.00 55.73 56.65 2hw0 s ARG 111 Cb -0.11 -3.89 0.09 0.00 -0.45 0.00 0.00 34.95 30.59 2hw0 s ARG 111 CO 0.14 -0.82 0.83 -1.12 -0.68 0.00 0.00 175.30 173.65 2hw0 s SER 112 N 2.78 4.95 -0.19 0.23 0.01 -1.26 -2.10 113.70 118.12 2hw0 s SER 112 Ca 0.65 -0.66 0.16 0.00 1.31 0.00 0.00 55.95 57.41 2hw0 s SER 112 Cb -0.27 0.10 -0.24 0.00 0.21 0.00 0.00 66.02 65.82 2hw0 s SER 112 CO 0.23 -1.43 0.12 1.67 0.41 0.00 0.00 173.24 174.23 2hw0 n GLN 113 N -2.37 0.68 0.00 12.44 7.27 -1.26 -4.89 117.38 129.25 2hw0 n GLN 113 Ca 0.15 0.04 0.00 0.00 0.07 0.00 0.00 57.00 57.25 2hw0 n GLN 113 Cb 0.61 -1.55 0.00 0.00 2.41 0.00 0.00 30.24 31.71 2hw0 n GLN 113 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2hw0 n GLY 114 N 1.77 -0.27 3.54 1.69 0.00 -1.26 -5.06 105.19 105.60 2hw0 n GLY 114 Ca -0.32 -1.88 -0.14 0.00 0.00 0.00 0.00 46.02 43.69 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 0.00 1.96 0.00 1.61 0.74 -1.26 -5.21 119.66 117.49 2hw0 s GLN 115 Ca 0.00 -1.70 0.00 0.00 0.05 0.00 0.00 55.36 53.71 2hw0 s GLN 115 Cb 0.00 0.47 0.00 0.00 1.10 0.00 0.00 33.01 34.58 2hw0 s GLN 115 CO 0.00 -0.83 0.37 -2.13 -0.55 0.00 0.00 175.29 172.15