#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 3.59 0.08 3.54 0.01 -1.26 -5.13 113.70 114.53 2hw0 s SER 3 Ca 0.00 -0.35 0.05 0.00 1.31 0.00 0.00 55.95 56.96 2hw0 s SER 3 Cb 0.00 -0.90 -0.03 0.00 0.21 0.00 0.00 66.02 65.30 2hw0 s SER 3 CO 0.00 0.28 -0.14 -0.54 0.41 0.00 0.00 173.24 173.25 2hw0 s LYS 4 N -0.36 0.82 -0.15 12.44 1.02 -1.26 -5.14 119.74 127.11 2hw0 s LYS 4 Ca 0.03 -0.98 -0.02 0.00 0.02 0.00 0.00 55.97 55.02 2hw0 s LYS 4 Cb -0.12 -0.79 -0.02 0.00 -0.52 0.00 0.00 37.83 36.38 2hw0 s LYS 4 CO 0.02 0.17 -0.09 0.15 -0.92 0.00 0.00 175.35 174.69 2hw0 s LYS 5 N -1.86 3.47 0.20 1.68 -0.14 -1.26 -5.12 119.74 116.72 2hw0 s LYS 5 Ca -0.01 -0.63 0.10 0.00 -1.36 0.00 0.00 55.97 54.08 2hw0 s LYS 5 Cb -0.09 -2.78 -0.04 0.00 -1.68 0.00 0.00 37.83 33.23 2hw0 s LYS 5 CO 0.02 0.15 -0.21 0.54 -0.76 0.00 0.00 175.35 175.09 2hw0 s ASN 6 N 0.56 3.17 0.00 2.83 2.20 -1.26 -5.11 114.94 117.33 2hw0 s ASN 6 Ca -0.06 -0.91 0.00 0.00 -0.94 0.00 0.00 52.86 50.95 2hw0 s ASN 6 Cb -0.15 -0.23 0.00 0.00 -2.00 0.00 0.00 41.25 38.87 2hw0 s ASN 6 CO 0.03 0.04 0.00 0.61 -2.94 0.00 0.00 177.10 174.84 2hw0 n GLY 7 N 0.05 2.47 1.20 0.45 0.00 -1.26 -5.04 105.19 103.07 2hw0 n GLY 7 Ca -0.11 0.05 0.03 0.00 0.00 0.00 0.00 46.02 45.99 2hw0 n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2hw0 n ARG 8 N 0.00 0.99 -2.77 1.61 1.85 -1.26 -4.91 116.66 112.17 2hw0 n ARG 8 Ca 0.00 -2.78 -0.40 0.00 -1.00 0.00 0.00 57.85 53.67 2hw0 n ARG 8 Cb 0.00 -0.92 -0.06 0.00 -1.05 0.00 0.00 32.46 30.43 2hw0 n ARG 8 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 2hw0 s SER 9 N -2.73 7.60 0.87 2.89 0.01 -1.26 -4.81 113.70 116.27 2hw0 s SER 9 Ca 0.36 1.90 0.00 0.00 1.31 0.00 0.00 55.95 59.52 2hw0 s SER 9 Cb 0.38 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 64.01 2hw0 s SER 9 CO -0.11 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.28 2hw0 n GLY 10 N 1.62 1.40 3.75 3.44 0.00 -1.26 -4.54 105.19 109.60 2hw0 n GLY 10 Ca -0.02 0.55 -0.41 0.00 0.00 0.00 0.00 46.02 46.15 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 4.42 0.28 1.61 0.04 -1.26 -5.05 135.00 135.04 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 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.33 2hw0 s PRO 11 CO 0.00 -0.16 -0.18 -0.65 0.04 0.00 0.00 177.00 176.05 2hw0 s GLN 12 N -0.79 1.64 0.54 4.56 -0.21 -1.26 -4.84 119.66 119.29 2hw0 s GLN 12 Ca 0.52 -1.76 -0.20 0.00 0.02 0.00 0.00 55.36 53.95 2hw0 s GLN 12 Cb -0.37 -1.66 -0.06 0.00 1.00 0.00 0.00 33.01 31.92 2hw0 s GLN 12 CO 0.43 0.29 1.13 -1.25 -2.12 0.00 0.00 175.29 173.77 2hw0 s PRO 13 N -3.54 3.39 0.33 2.91 0.04 -1.26 -4.89 135.00 131.98 2hw0 s PRO 13 Ca 0.29 1.62 0.06 0.00 0.04 0.00 0.00 61.00 63.02 2hw0 s PRO 13 Cb -0.04 -2.04 -0.03 0.00 0.04 0.00 0.00 34.50 32.44 2hw0 s PRO 13 CO 0.14 -0.82 0.24 -1.01 0.04 0.00 0.00 177.00 175.59 2hw0 s HIS 14 N -1.75 1.70 -0.49 0.56 3.76 -0.45 -4.70 115.29 113.91 2hw0 s HIS 14 Ca 0.72 -1.59 0.16 0.00 -0.15 0.00 0.00 55.06 54.20 2hw0 s HIS 14 Cb -0.24 -0.76 0.70 0.00 1.11 0.00 0.00 32.58 33.39 2hw0 s HIS 14 CO 0.27 -0.77 1.61 0.36 -0.85 0.00 0.00 174.74 175.36 2hw0 n LYS 15 N -0.63 4.01 -3.71 1.40 0.00 -1.26 -2.31 118.16 115.66 2hw0 n LYS 15 Ca 0.05 -2.96 -0.17 0.00 -0.00 0.00 0.00 58.31 55.23 2hw0 n LYS 15 Cb 0.63 -2.02 -0.17 0.00 -0.00 0.00 0.00 35.03 33.48 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 -2.45 -0.04 -0.13 -1.58 0.52 -1.26 -0.01 118.95 114.00 2hw0 s ARG 16 Ca 0.49 0.32 -0.09 0.00 -0.52 0.00 0.00 55.73 55.93 2hw0 s ARG 16 Cb 0.36 -0.36 0.04 0.00 0.52 0.00 0.00 34.95 35.51 2hw0 s ARG 16 CO 0.16 -0.25 0.32 -1.58 0.02 0.00 0.00 175.30 173.97 2hw0 s TRP 17 N 1.68 -0.40 0.28 -0.53 0.52 -0.92 -4.08 118.94 115.48 2hw0 s TRP 17 Ca -0.02 0.93 0.08 0.00 0.02 0.00 0.00 56.10 57.11 2hw0 s TRP 17 Cb -0.12 0.13 -0.04 0.00 -1.15 0.00 0.00 33.47 32.29 2hw0 s TRP 17 CO -0.03 -0.22 0.17 0.14 0.02 0.00 0.00 176.95 177.03 2hw0 s VAL 18 N 0.66 3.92 0.01 4.03 -7.23 0.73 -1.89 120.40 120.65 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 -3.21 -0.01 0.00 0.56 0.00 0.00 36.38 33.67 2hw0 s VAL 18 CO -0.04 -0.30 -0.06 0.72 -0.31 0.00 0.00 175.10 175.10 2hw0 s PHE 19 N -2.24 0.54 -0.15 2.82 -0.71 -0.96 -1.50 117.98 115.78 2hw0 s PHE 19 Ca 0.35 -0.25 -0.08 0.00 -1.04 0.00 0.00 56.93 55.91 2hw0 s PHE 19 Cb -0.07 -0.33 0.06 0.00 -1.21 0.00 0.00 43.02 41.47 2hw0 s PHE 19 CO 0.24 -0.04 0.36 0.95 -1.34 0.00 0.00 175.22 175.39 2hw0 s THR 20 N -0.61 -0.10 -0.01 -4.49 -4.23 0.11 -2.56 115.64 103.74 2hw0 s THR 20 Ca -0.03 0.12 -0.00 0.00 -1.18 0.00 0.00 61.69 60.60 2hw0 s THR 20 Cb -0.05 -0.55 0.01 0.00 1.34 0.00 0.00 72.50 73.25 2hw0 s THR 20 CO 0.00 0.05 0.02 -0.22 -0.54 0.00 0.00 174.62 173.93 2hw0 s LEU 21 N 1.53 1.71 0.10 4.79 2.96 -0.93 -1.49 118.68 127.34 2hw0 s LEU 21 Ca -0.08 0.03 -0.26 0.00 -0.22 0.00 0.00 54.13 53.60 2hw0 s LEU 21 Cb -0.09 0.01 -0.06 0.00 0.50 0.00 0.00 46.19 46.54 2hw0 s LEU 21 CO -0.11 -0.04 0.79 0.21 -1.32 0.00 0.00 176.35 175.88 2hw0 s ASN 22 N 0.31 7.31 -0.91 3.68 2.47 -1.26 -0.87 114.94 125.67 2hw0 s ASN 22 Ca -0.03 1.56 -0.08 0.00 0.42 0.00 0.00 52.86 54.74 2hw0 s ASN 22 Cb -0.04 -2.49 -0.01 0.00 -1.45 0.00 0.00 41.25 37.26 2hw0 s ASN 22 CO -0.01 0.07 0.72 -3.20 -3.72 0.00 0.00 177.10 170.96 2hw0 n ASN 23 N 2.38 -6.08 -4.77 -4.21 4.05 0.89 -4.91 115.26 102.61 2hw0 n ASN 23 Ca -0.03 -0.68 -0.39 0.00 0.45 0.00 0.00 54.58 53.93 2hw0 n ASN 23 Cb 0.50 -3.61 -0.02 0.00 1.23 0.00 0.00 39.78 37.87 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 -4.64 4.25 0.35 1.20 0.04 -1.26 -5.00 135.00 129.94 2hw0 s PRO 24 Ca 0.19 1.98 -0.03 0.00 0.04 0.00 0.00 61.00 63.17 2hw0 s PRO 24 Cb -0.06 -2.90 -0.04 0.00 0.04 0.00 0.00 34.50 31.54 2hw0 s PRO 24 CO 0.83 -0.20 0.60 -1.12 0.04 0.00 0.00 177.00 177.15 2hw0 s SER 25 N -0.85 6.35 0.52 6.66 0.01 -1.26 -4.92 113.70 120.21 2hw0 s SER 25 Ca 0.52 0.65 0.18 0.00 1.31 0.00 0.00 55.95 58.62 2hw0 s SER 25 Cb -0.34 -2.12 1.30 0.00 0.21 0.00 0.00 66.02 65.07 2hw0 s SER 25 CO 0.44 -0.32 2.11 -0.33 0.41 0.00 0.00 173.24 175.56 2hw0 h GLU 26 N 1.00 0.00 -0.02 12.44 5.08 -1.98 0.39 114.58 131.48 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 -0.06 -0.44 -1.00 0.00 0.00 179.01 178.14 2hw0 h ASP 27 N 0.00 0.09 -0.11 1.42 5.19 -1.98 -1.77 116.42 119.27 2hw0 h ASP 27 Ca 0.06 -0.59 -0.01 0.00 -0.62 0.00 0.00 57.03 55.87 2hw0 h ASP 27 Cb 0.25 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.73 2hw0 h ASP 27 CO -0.00 0.67 0.03 -0.08 -3.12 0.00 0.00 179.24 176.73 2hw0 h GLU 28 N -0.48 0.17 -0.71 3.56 4.57 -1.82 -1.01 114.58 118.87 2hw0 h GLU 28 Ca -0.00 -0.04 0.01 0.00 -1.18 0.00 0.00 59.36 58.15 2hw0 h GLU 28 Cb 0.66 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.19 2hw0 h GLU 28 CO 0.01 0.35 0.47 0.00 -1.18 0.00 0.00 179.01 178.66 2hw0 h ARG 29 N -0.03 0.92 -0.28 1.92 3.08 -1.03 -1.91 114.38 117.05 2hw0 h ARG 29 Ca 0.03 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 2hw0 h ARG 29 Cb 0.26 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 2hw0 h ARG 29 CO 0.00 0.61 -0.44 -0.22 -1.07 0.00 0.00 179.97 178.85 2hw0 h LYS 30 N 0.95 0.72 0.18 0.04 3.64 -1.13 -0.84 116.57 120.14 2hw0 h LYS 30 Ca 0.26 -0.39 -0.01 0.00 -1.27 0.00 0.00 60.65 59.24 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 -0.06 1.01 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.83 2hw0 h LYS 31 N 0.58 -0.23 -0.61 1.90 3.64 -0.49 0.30 116.57 121.65 2hw0 h LYS 31 Ca 0.04 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.34 2hw0 h LYS 31 Cb 0.99 0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 2hw0 h LYS 31 CO 0.09 -0.06 0.01 0.82 -2.27 0.00 0.00 179.45 178.04 2hw0 h ILE 32 N -0.36 1.27 0.00 2.00 2.04 -1.40 -2.06 117.51 119.00 2hw0 h ILE 32 Ca -0.02 -1.15 -0.02 0.00 1.00 0.00 0.00 64.86 64.67 2hw0 h ILE 32 Cb 0.28 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.14 2hw0 h ILE 32 CO 0.04 0.42 -0.08 -0.09 0.00 0.00 0.00 178.15 178.44 2hw0 h ARG 33 N 0.98 0.00 -0.58 2.37 2.43 -1.05 -2.46 114.38 116.07 2hw0 h ARG 33 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2hw0 h ARG 33 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2hw0 h ARG 33 CO 0.03 0.08 0.00 -3.47 -1.51 0.00 0.00 179.97 175.10 2hw0 n ASP 34 N -3.20 3.51 -4.72 -3.80 2.03 0.10 -4.98 116.55 105.51 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 -0.39 0.13 0.00 -0.72 0.00 0.00 41.12 40.51 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 -1.16 2.86 -0.14 -2.67 1.43 -0.82 -4.93 118.68 113.25 2hw0 s LEU 35 Ca 0.43 1.96 -0.29 0.00 -1.03 0.00 0.00 54.13 55.20 2hw0 s LEU 35 Cb 0.23 -4.48 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 2hw0 s LEU 35 CO 0.31 -2.58 1.56 -2.16 0.23 0.00 0.00 176.35 173.71 2hw0 s PRO 36 N -4.79 4.04 0.27 1.29 0.04 -1.26 -4.90 135.00 129.69 2hw0 s PRO 36 Ca 0.64 1.87 0.03 0.00 0.04 0.00 0.00 61.00 63.58 2hw0 s PRO 36 Cb -0.20 -3.96 0.38 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 5.78 1.29 0.00 0.56 3.07 -1.91 -2.61 117.51 123.68 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 1.52 -0.00 0.00 -0.27 0.00 0.00 36.82 39.22 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 0.35 0.00 0.67 2.16 0.02 -1.98 -2.18 113.55 112.58 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 -0.53 0.25 -1.14 0.00 0.00 176.83 175.56 2hw0 h LEU 39 N 0.00 0.00 -7.78 5.07 6.46 -1.86 -3.41 115.31 113.78 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 0.39 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 39.95 2hw0 h LEU 39 CO 0.01 0.53 -0.81 -0.36 -0.62 0.00 0.00 178.44 177.19 2hw0 s PHE 40 N -3.65 2.32 0.55 1.25 0.40 -0.82 -2.67 117.98 115.37 2hw0 s PHE 40 Ca -0.01 -1.50 0.30 0.00 -0.60 0.00 0.00 56.93 55.12 2hw0 s PHE 40 Cb 0.12 -1.60 1.46 0.00 0.51 0.00 0.00 43.02 43.52 2hw0 s PHE 40 CO 0.74 -0.72 1.90 -0.44 0.70 0.00 0.00 175.22 177.40 2hw0 h ASP 41 N 8.00 0.00 -3.40 1.36 3.32 -1.65 -3.38 116.42 120.66 2hw0 h ASP 41 Ca -0.28 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.41 2hw0 h ASP 41 Cb 1.10 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.29 2hw0 h ASP 41 CO 0.47 0.00 -0.74 -0.47 -1.72 0.00 0.00 179.24 176.78 2hw0 s TYR 42 N -4.87 0.16 -0.14 4.55 5.04 -1.24 -0.21 117.35 120.65 2hw0 s TYR 42 Ca -0.05 0.13 -0.02 0.00 -2.44 0.00 0.00 57.07 54.69 2hw0 s TYR 42 Cb 0.19 -0.43 0.04 0.00 0.35 0.00 0.00 41.96 42.12 2hw0 s TYR 42 CO 0.70 -0.16 0.00 0.12 -1.34 0.00 0.00 175.55 174.86 2hw0 s PHE 43 N 1.61 1.03 -0.09 4.97 2.19 -0.99 0.03 117.98 126.73 2hw0 s PHE 43 Ca -0.02 -0.62 -0.02 0.00 0.33 0.00 0.00 56.93 56.60 2hw0 s PHE 43 Cb -0.13 -1.00 0.04 0.00 -1.31 0.00 0.00 43.02 40.62 2hw0 s PHE 43 CO -0.03 -0.50 0.03 -1.50 1.83 0.00 0.00 175.22 175.06 2hw0 s ILE 44 N 1.86 0.21 -0.02 3.12 2.07 -0.38 -1.41 121.20 126.64 2hw0 s ILE 44 Ca 0.02 0.09 0.07 0.00 -1.41 0.00 0.00 60.65 59.42 2hw0 s ILE 44 Cb -0.15 -0.50 -0.02 0.00 0.13 0.00 0.00 42.46 41.93 2hw0 s ILE 44 CO -0.07 0.12 -0.24 -0.69 -1.91 0.00 0.00 174.94 172.15 2hw0 s VAL 45 N 2.03 1.88 0.01 4.00 1.01 -0.44 0.03 120.40 128.92 2hw0 s VAL 45 Ca 0.04 -1.01 0.03 0.00 0.00 0.00 0.00 61.98 61.03 2hw0 s VAL 45 Cb -0.13 -1.56 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 2hw0 s VAL 45 CO -0.05 0.53 -0.09 -0.83 0.00 0.00 0.00 175.10 174.66 2hw0 s GLY 46 N -0.51 0.48 -0.16 4.51 0.00 -0.71 -0.53 107.32 110.40 2hw0 s GLY 46 Ca 0.08 -0.50 -0.08 0.00 0.00 0.00 0.00 44.72 44.22 2hw0 s GLY 46 CO -0.00 -0.47 0.10 1.85 0.00 0.00 0.00 173.10 174.58 2hw0 s GLU 47 N -0.61 3.80 -0.30 2.90 2.56 0.83 -2.30 118.70 125.59 2hw0 s GLU 47 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 54.97 54.76 2hw0 s GLU 47 Cb -0.05 -3.24 0.07 0.00 2.00 0.00 0.00 34.13 32.91 2hw0 s GLU 47 CO 0.00 0.48 -0.03 -2.00 -0.56 0.00 0.00 175.26 173.15 2hw0 s GLU 48 N -0.18 2.08 -0.49 4.30 2.12 -0.66 -3.78 118.70 122.09 2hw0 s GLU 48 Ca 0.09 -1.49 0.06 0.00 0.36 0.00 0.00 54.97 53.99 2hw0 s GLU 48 Cb -0.12 -3.06 0.25 0.00 0.26 0.00 0.00 34.13 31.46 2hw0 s GLU 48 CO 0.01 -0.70 0.90 0.41 -0.54 0.00 0.00 175.26 175.34 2hw0 n GLY 49 N 4.43 0.11 1.40 -1.50 0.00 -1.26 -1.43 105.19 106.94 2hw0 n GLY 49 Ca -0.09 0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 2hw0 n GLY 49 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2hw0 n ASN 50 N 1.56 3.44 -3.81 1.61 2.85 -1.26 -4.94 115.26 114.71 2hw0 n ASN 50 Ca 0.09 -3.81 -0.27 0.00 -0.11 0.00 0.00 54.58 50.48 2hw0 n ASN 50 Cb 0.63 -0.57 -0.17 0.00 1.24 0.00 0.00 39.78 40.92 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 -3.40 0.99 0.37 1.20 2.02 -1.26 -5.13 118.70 113.49 2hw0 s GLU 51 Ca 0.47 -0.35 -0.27 0.00 0.02 0.00 0.00 54.97 54.84 2hw0 s GLU 51 Cb 0.41 -1.81 -0.09 0.00 0.10 0.00 0.00 34.13 32.74 2hw0 s GLU 51 CO -0.01 -0.47 1.24 -2.00 0.02 0.00 0.00 175.26 174.05 2hw0 s GLU 52 N 1.78 4.19 0.00 1.61 2.12 -1.26 -2.76 118.70 124.38 2hw0 s GLU 52 Ca 0.01 2.04 0.00 0.00 0.36 0.00 0.00 54.97 57.38 2hw0 s GLU 52 Cb -0.15 -2.88 0.00 0.00 0.26 0.00 0.00 34.13 31.36 2hw0 s GLU 52 CO -0.07 -0.27 0.00 0.41 -0.54 0.00 0.00 175.26 174.79 2hw0 n GLY 53 N 0.76 2.65 3.63 -1.50 0.00 -1.26 -5.02 105.19 104.45 2hw0 n GLY 53 Ca 0.02 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.54 2.28 0.55 1.61 3.52 -1.11 -5.13 118.95 120.13 2hw0 s ARG 54 Ca 0.00 -1.22 -0.09 0.00 -0.13 0.00 0.00 55.73 54.29 2hw0 s ARG 54 Cb 0.00 -2.26 -0.04 0.00 -1.56 0.00 0.00 34.95 31.09 2hw0 s ARG 54 CO 0.00 0.43 0.92 0.95 -0.81 0.00 0.00 175.30 176.79 2hw0 s THR 55 N -1.84 4.78 0.92 4.11 -4.23 -1.26 -4.86 115.64 113.26 2hw0 s THR 55 Ca 0.27 0.62 -0.12 0.00 -1.18 0.00 0.00 61.69 61.29 2hw0 s THR 55 Cb -0.09 -3.85 0.14 0.00 1.34 0.00 0.00 72.50 70.04 2hw0 s THR 55 CO 0.18 -0.97 1.09 -2.16 -0.54 0.00 0.00 174.62 172.22 2hw0 s PRO 56 N -4.88 1.08 -0.00 3.99 0.04 -1.26 -4.75 135.00 129.22 2hw0 s PRO 56 Ca 0.52 0.76 -0.00 0.00 0.04 0.00 0.00 61.00 62.32 2hw0 s PRO 56 Cb -0.11 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2hw0 s PRO 56 CO 0.48 -2.35 0.01 -1.58 0.04 0.00 0.00 177.00 173.60 2hw0 s HIS 57 N -2.94 -0.00 -0.12 0.56 2.46 -0.51 -0.08 115.29 114.66 2hw0 s HIS 57 Ca 0.64 0.03 -0.14 0.00 0.47 0.00 0.00 55.06 56.05 2hw0 s HIS 57 Cb -0.18 -0.03 -0.05 0.00 -0.13 0.00 0.00 32.58 32.19 2hw0 s HIS 57 CO 0.57 -0.01 0.34 -1.17 -2.47 0.00 0.00 174.74 171.99 2hw0 s LEU 58 N 0.14 4.31 -0.24 8.88 0.20 -0.04 -1.65 118.68 130.27 2hw0 s LEU 58 Ca -0.01 0.65 -0.04 0.00 0.69 0.00 0.00 54.13 55.42 2hw0 s LEU 58 Cb -0.02 -2.45 0.13 0.00 -0.43 0.00 0.00 46.19 43.42 2hw0 s LEU 58 CO -0.00 0.16 0.41 -1.58 -0.29 0.00 0.00 176.35 175.04 2hw0 s GLN 59 N 0.05 0.36 0.31 1.98 2.00 -0.97 -2.19 119.66 121.19 2hw0 s GLN 59 Ca 0.19 0.70 -0.10 0.00 -2.00 0.00 0.00 55.36 54.16 2hw0 s GLN 59 Cb -0.14 -0.19 0.01 0.00 0.80 0.00 0.00 33.01 33.49 2hw0 s GLN 59 CO 0.07 -0.54 0.54 0.20 -0.50 0.00 0.00 175.29 175.06 2hw0 s GLY 60 N 2.59 0.81 -0.00 2.59 0.00 -1.06 -1.73 107.32 110.51 2hw0 s GLY 60 Ca 0.10 -1.05 0.03 0.00 0.00 0.00 0.00 44.72 43.80 2hw0 s GLY 60 CO -0.15 -0.68 -0.11 -0.12 0.00 0.00 0.00 173.10 172.04 2hw0 s PHE 61 N -3.39 0.94 -0.05 1.90 5.36 0.10 -2.25 117.98 120.59 2hw0 s PHE 61 Ca 0.24 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.01 2hw0 s PHE 61 Cb -0.02 -0.60 0.02 0.00 -0.34 0.00 0.00 43.02 42.09 2hw0 s PHE 61 CO 0.13 -0.01 -0.02 0.00 -1.46 0.00 0.00 175.22 173.85 2hw0 s ALA 62 N -0.30 0.67 -0.36 11.12 0.00 -0.79 -1.25 121.76 130.83 2hw0 s ALA 62 Ca 0.04 -0.07 -0.20 0.00 0.00 0.00 0.00 51.96 51.72 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 -0.20 0.60 1.21 0.00 0.00 0.00 175.76 177.36 2hw0 s ASN 63 N 1.35 6.38 0.08 0.00 3.84 0.10 -2.17 114.94 124.52 2hw0 s ASN 63 Ca -0.04 0.03 -0.31 0.00 0.21 0.00 0.00 52.86 52.75 2hw0 s ASN 63 Cb -0.13 -2.31 -0.07 0.00 -0.55 0.00 0.00 41.25 38.19 2hw0 s ASN 63 CO -0.02 -0.58 1.37 -0.36 -2.79 0.00 0.00 177.10 174.71 2hw0 s PHE 64 N 2.62 3.16 0.56 0.43 0.08 0.99 -2.38 117.98 123.44 2hw0 s PHE 64 Ca 0.22 0.96 0.29 0.00 0.12 0.00 0.00 56.93 58.53 2hw0 s PHE 64 Cb -0.15 -3.64 1.76 0.00 -0.57 0.00 0.00 43.02 40.42 2hw0 s PHE 64 CO 0.15 -2.25 2.23 0.28 -0.10 0.00 0.00 175.22 175.52 2hw0 h VAL 65 N 4.47 0.54 -4.11 -0.44 2.07 -1.78 -3.42 116.25 113.58 2hw0 h VAL 65 Ca -0.41 -0.09 -0.27 0.00 0.82 0.00 0.00 66.70 66.74 2hw0 h VAL 65 Cb 1.20 1.06 -0.06 0.00 -1.52 0.00 0.00 31.29 31.97 2hw0 h VAL 65 CO 0.87 0.02 -0.22 2.29 0.02 0.00 0.00 177.57 180.55 2hw0 n LYS 66 N -3.82 1.05 -3.14 1.57 0.00 -1.26 -5.00 118.16 107.56 2hw0 n LYS 66 Ca -0.03 -1.63 -0.40 0.00 -0.00 0.00 0.00 58.31 56.25 2hw0 n LYS 66 Cb 0.11 0.69 -0.06 0.00 -0.00 0.00 0.00 35.03 35.77 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 -2.76 4.19 0.07 -1.58 -0.14 -1.26 -4.20 119.74 114.05 2hw0 s LYS 67 Ca 0.06 0.57 0.02 0.00 -1.36 0.00 0.00 55.97 55.26 2hw0 s LYS 67 Cb 0.00 -3.59 -0.03 0.00 -1.68 0.00 0.00 37.83 32.53 2hw0 s LYS 67 CO 0.04 -0.26 -0.08 -0.65 -0.76 0.00 0.00 175.35 173.64 2hw0 s GLN 68 N 1.98 0.68 0.57 1.68 -1.52 -0.98 -4.87 119.66 117.21 2hw0 s GLN 68 Ca 0.27 -1.00 0.02 0.00 -1.95 0.00 0.00 55.36 52.71 2hw0 s GLN 68 Cb -0.16 -0.34 0.05 0.00 -0.22 0.00 0.00 33.01 32.35 2hw0 s GLN 68 CO 0.10 0.04 0.80 0.95 -0.25 0.00 0.00 175.29 176.93 2hw0 s THR 69 N -2.18 2.57 0.06 -0.19 -4.23 -1.26 -1.34 115.64 109.07 2hw0 s THR 69 Ca -0.01 -0.70 -0.28 0.00 -1.18 0.00 0.00 61.69 59.52 2hw0 s THR 69 Cb -0.05 -2.87 -0.17 0.00 1.34 0.00 0.00 72.50 70.75 2hw0 s THR 69 CO -0.01 0.00 1.56 0.15 -0.54 0.00 0.00 174.62 175.78 2hw0 h PHE 70 N 0.02 -0.49 -0.75 3.99 3.57 -1.97 0.31 116.94 121.62 2hw0 h PHE 70 Ca -0.40 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.08 2hw0 h PHE 70 Cb 1.29 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 40.15 2hw0 h PHE 70 CO 0.27 -0.25 0.45 -0.97 -2.23 0.00 0.00 178.31 175.58 2hw0 h ASN 71 N -0.61 0.91 -0.04 0.41 -0.73 -2.00 -2.58 115.58 110.93 2hw0 h ASN 71 Ca -0.05 -0.07 -0.00 0.00 1.87 0.00 0.00 56.30 58.04 2hw0 h ASN 71 Cb 0.45 -0.23 -0.00 0.00 0.27 0.00 0.00 38.32 38.81 2hw0 h ASN 71 CO 0.09 0.72 0.01 0.50 -0.37 0.00 0.00 177.43 178.37 2hw0 h LYS 72 N 1.03 0.07 -0.36 6.67 3.11 -1.93 -2.59 116.57 122.58 2hw0 h LYS 72 Ca 0.27 -0.02 0.10 0.00 -2.81 0.00 0.00 60.65 58.20 2hw0 h LYS 72 Cb -0.02 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.19 2hw0 h LYS 72 CO -0.05 0.28 0.39 0.28 -2.81 0.00 0.00 179.45 177.54 2hw0 h VAL 73 N -0.15 0.41 0.00 2.00 2.07 -0.19 0.33 116.25 120.71 2hw0 h VAL 73 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2hw0 h VAL 73 Cb 0.24 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 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 0.07 0.28 1.57 5.02 -0.97 -1.66 118.16 118.72 2hw0 n LYS 74 Ca 0.06 0.46 0.17 0.00 -2.02 0.00 0.00 58.31 56.98 2hw0 n LYS 74 Cb 0.55 -1.69 0.72 0.00 -0.02 0.00 0.00 35.03 34.59 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 -0.45 0.15 115.95 122.85 2hw0 h TRP 75 Ca 0.00 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.83 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 0.01 -1.39 0.66 -1.28 0.00 0.00 178.44 176.44 2hw0 n TYR 76 N -3.11 0.00 0.58 0.12 4.01 -0.66 -4.62 117.16 113.48 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 -0.31 0.42 0.00 -0.31 0.00 0.00 39.34 39.44 2hw0 n TYR 76 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2hw0 n LEU 77 N -3.44 0.25 -0.95 7.72 4.77 -0.91 -4.96 117.00 119.47 2hw0 n LEU 77 Ca -0.16 0.55 0.06 0.00 -0.03 0.00 0.00 56.01 56.42 2hw0 n LEU 77 Cb 0.58 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2hw0 n LEU 77 CO 0.02 -0.27 -0.36 0.61 -1.33 0.00 0.00 177.39 176.05 2hw0 n GLY 78 N 0.41 -3.36 0.14 -0.72 0.00 0.04 -4.15 105.19 97.55 2hw0 n GLY 78 Ca 0.04 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.42 0.78 -0.82 4.61 0.00 -1.95 -3.23 119.26 118.23 2hw0 h ALA 79 Ca -0.07 -0.56 0.12 0.00 0.00 0.00 0.00 54.91 54.41 2hw0 h ALA 79 Cb 0.75 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 2hw0 h ALA 79 CO 0.03 0.76 0.43 0.00 0.00 0.00 0.00 179.25 180.47 2hw0 h ARG 80 N 0.00 0.64 -5.72 0.00 3.08 -1.95 -3.39 114.38 107.04 2hw0 h ARG 80 Ca -0.01 -0.04 -0.58 0.00 0.07 0.00 0.00 59.98 59.43 2hw0 h ARG 80 Cb 1.25 -0.14 -0.08 0.00 0.08 0.00 0.00 29.97 31.07 2hw0 h ARG 80 CO 0.08 0.42 -0.15 0.00 -1.07 0.00 0.00 179.97 179.25 2hw0 s HIS 82 N 0.59 3.08 0.09 0.00 2.46 -0.55 -4.81 115.29 116.15 2hw0 s HIS 82 Ca 0.25 1.04 0.07 0.00 0.47 0.00 0.00 55.06 56.90 2hw0 s HIS 82 Cb -0.15 -3.54 -0.04 0.00 -0.13 0.00 0.00 32.58 28.72 2hw0 s HIS 82 CO 0.10 -1.85 -0.12 0.96 -2.47 0.00 0.00 174.74 171.36 2hw0 s ILE 83 N 2.08 3.22 0.16 0.89 -4.36 -1.26 0.04 121.20 121.98 2hw0 s ILE 83 Ca 0.60 -1.28 -0.11 0.00 -0.26 0.00 0.00 60.65 59.61 2hw0 s ILE 83 Cb -0.29 -2.48 0.00 0.00 1.25 0.00 0.00 42.46 40.94 2hw0 s ILE 83 CO 0.25 0.15 0.32 -0.70 0.24 0.00 0.00 174.94 175.21 2hw0 s GLU 84 N -2.07 1.17 0.10 0.37 2.12 -0.56 -4.97 118.70 114.85 2hw0 s GLU 84 Ca 0.20 -1.08 -0.30 0.00 0.36 0.00 0.00 54.97 54.14 2hw0 s GLU 84 Cb -0.11 0.40 -0.06 0.00 0.26 0.00 0.00 34.13 34.63 2hw0 s GLU 84 CO 0.12 -0.44 1.07 0.15 -0.54 0.00 0.00 175.26 175.62 2hw0 s LYS 85 N -3.94 4.57 0.39 4.30 1.02 -1.26 -0.19 119.74 124.64 2hw0 s LYS 85 Ca 0.14 1.61 -0.04 0.00 0.02 0.00 0.00 55.97 57.70 2hw0 s LYS 85 Cb 0.03 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.94 2hw0 s LYS 85 CO -0.02 -0.00 0.66 0.00 -0.92 0.00 0.00 175.35 175.07 2hw0 s ALA 86 N 0.40 3.53 -0.07 5.17 0.00 -1.26 -4.85 121.76 124.68 2hw0 s ALA 86 Ca 0.52 -0.60 -0.09 0.00 0.00 0.00 0.00 51.96 51.78 2hw0 s ALA 86 Cb -0.26 -2.40 0.02 0.00 0.00 0.00 0.00 23.12 20.48 2hw0 s ALA 86 CO 0.31 -0.09 0.24 -1.59 0.00 0.00 0.00 175.76 174.63 2hw0 s LYS 87 N -4.26 0.37 0.00 0.00 -2.85 -1.26 -4.96 119.74 106.78 2hw0 s LYS 87 Ca 0.45 0.15 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 35.84 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 2.48 0.82 3.95 0.59 0.00 -1.26 -4.78 105.19 106.99 2hw0 n GLY 88 Ca -0.15 -2.30 -0.26 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 -0.90 2.16 0.27 2.61 -4.23 -1.26 -4.64 115.64 109.66 2hw0 s THR 89 Ca 0.00 -0.30 0.00 0.00 -1.18 0.00 0.00 61.69 60.21 2hw0 s THR 89 Cb 0.00 -2.87 0.27 0.00 1.34 0.00 0.00 72.50 71.24 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 -0.85 0.86 -0.05 3.99 2.03 -1.89 -0.58 116.42 119.92 2hw0 h ASP 90 Ca -0.42 0.05 -0.14 0.00 -0.73 0.00 0.00 57.03 55.79 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 0.48 0.46 -0.42 1.56 -1.03 0.00 0.00 179.24 180.29 2hw0 h GLN 91 N 0.94 0.58 -0.69 4.15 1.08 -1.93 0.12 115.11 119.37 2hw0 h GLN 91 Ca 0.48 -0.30 -0.05 0.00 -1.45 0.00 0.00 58.65 57.32 2hw0 h GLN 91 Cb 0.47 0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.88 2hw0 h GLN 91 CO -0.27 0.90 0.24 1.96 -0.95 0.00 0.00 178.83 180.71 2hw0 h GLN 92 N 0.47 1.05 0.03 1.46 4.20 -1.50 0.25 115.11 121.07 2hw0 h GLN 92 Ca 0.04 -0.21 -0.13 0.00 0.06 0.00 0.00 58.65 58.41 2hw0 h GLN 92 Cb 0.93 -0.16 0.01 0.00 0.30 0.00 0.00 27.48 28.57 2hw0 h GLN 92 CO 0.08 0.89 -0.52 -0.91 -0.67 0.00 0.00 178.83 177.70 2hw0 h ASN 93 N 0.99 0.40 -0.51 1.46 -0.26 -1.18 -1.43 115.58 115.05 2hw0 h ASN 93 Ca 0.22 -0.82 -0.01 0.00 -0.56 0.00 0.00 56.30 55.13 2hw0 h ASN 93 Cb 0.26 -0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.37 2hw0 h ASN 93 CO -0.01 1.18 0.27 0.50 -1.06 0.00 0.00 177.43 178.30 2hw0 h LYS 94 N -0.33 0.72 -0.25 0.81 3.64 -0.93 -2.13 116.57 118.11 2hw0 h LYS 94 Ca -0.07 -0.09 -0.17 0.00 -1.27 0.00 0.00 60.65 59.04 2hw0 h LYS 94 Cb 1.29 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 2hw0 h LYS 94 CO 0.10 0.58 -0.53 0.93 -2.27 0.00 0.00 179.45 178.26 2hw0 h GLU 95 N 0.68 0.72 -0.46 1.90 4.39 -0.61 -2.61 114.58 118.59 2hw0 h GLU 95 Ca 0.18 -0.45 0.05 0.00 0.34 0.00 0.00 59.36 59.48 2hw0 h GLU 95 Cb 0.08 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 2hw0 h GLU 95 CO -0.03 1.07 0.21 -0.92 -1.16 0.00 0.00 179.01 178.18 2hw0 h TYR 96 N 0.56 0.38 -0.24 4.33 5.03 -1.01 0.29 116.97 126.31 2hw0 h TYR 96 Ca 0.02 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.24 2hw0 h TYR 96 Cb 1.11 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 39.27 2hw0 h TYR 96 CO 0.06 0.18 -0.31 0.00 -1.32 0.00 0.00 178.16 176.77 2hw0 n SER 98 N -4.09 0.45 0.30 0.00 2.88 -0.75 -3.35 113.62 109.06 2hw0 n SER 98 Ca -0.01 0.55 0.19 0.00 -1.33 0.00 0.00 58.87 58.27 2hw0 n SER 98 Cb 0.44 -0.67 0.99 0.00 -0.75 0.00 0.00 64.21 64.22 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 0.05 0.22 116.57 119.02 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 0.59 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 0.00 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 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 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 2hw0 h GLU 100 CO -0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 2hw0 n GLY 101 N 0.30 1.56 2.84 -3.84 0.00 0.78 -4.79 105.19 102.04 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 -3.28 1.43 -0.18 1.61 2.47 -1.25 -5.07 114.94 110.68 2hw0 s ASN 102 Ca 0.00 -0.14 -0.11 0.00 0.42 0.00 0.00 52.86 53.03 2hw0 s ASN 102 Cb 0.00 -0.51 -0.05 0.00 -1.45 0.00 0.00 41.25 39.24 2hw0 s ASN 102 CO 0.00 -0.12 0.19 -0.76 -3.72 0.00 0.00 177.10 172.68 2hw0 s LEU 103 N 1.49 4.24 -0.15 3.21 2.01 -1.26 -0.12 118.68 128.10 2hw0 s LEU 103 Ca -0.02 0.35 0.19 0.00 0.01 0.00 0.00 54.13 54.66 2hw0 s LEU 103 Cb -0.13 -2.19 -0.27 0.00 0.01 0.00 0.00 46.19 43.61 2hw0 s LEU 103 CO -0.03 0.18 0.19 -0.11 1.01 0.00 0.00 176.35 177.58 2hw0 n LEU 104 N 3.38 0.04 -3.63 1.79 7.94 0.30 -4.71 117.00 122.11 2hw0 n LEU 104 Ca -0.15 0.02 -0.11 0.00 -1.11 0.00 0.00 56.01 54.65 2hw0 n LEU 104 Cb 0.52 0.37 -0.07 0.00 0.53 0.00 0.00 43.42 44.77 2hw0 n LEU 104 CO 0.37 0.37 0.42 -0.32 -1.11 0.00 0.00 177.39 177.13 2hw0 s MET 105 N -2.74 0.77 -0.24 1.96 0.00 -0.59 -4.96 119.30 113.51 2hw0 s MET 105 Ca -0.09 1.04 -0.02 0.00 0.00 0.00 0.00 55.69 56.62 2hw0 s MET 105 Cb 0.08 0.31 0.08 0.00 0.00 0.00 0.00 34.83 35.30 2hw0 s MET 105 CO 0.85 -0.11 0.06 -2.00 0.00 0.00 0.00 175.02 173.81 2hw0 s GLU 106 N 0.77 0.70 0.34 4.11 2.12 -1.26 -1.33 118.70 124.14 2hw0 s GLU 106 Ca -0.03 -0.68 -0.09 0.00 0.36 0.00 0.00 54.97 54.53 2hw0 s GLU 106 Cb -0.05 -2.03 0.02 0.00 0.26 0.00 0.00 34.13 32.33 2hw0 s GLU 106 CO -0.06 -0.78 0.58 0.00 -0.54 0.00 0.00 175.26 174.46 2hw0 n GLY 108 N -0.53 -2.08 3.73 0.00 0.00 -1.26 -2.35 105.19 102.71 2hw0 n GLY 108 Ca -0.02 -1.40 -0.22 0.00 0.00 0.00 0.00 46.02 44.37 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 -1.35 3.37 -1.18 4.61 0.00 0.71 -4.78 121.76 123.15 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 -1.01 -0.09 0.00 0.00 0.00 0.00 23.12 22.02 2hw0 s ALA 109 CO 0.00 0.25 1.93 -1.25 0.00 0.00 0.00 175.76 176.69 2hw0 s PRO 110 N -3.76 2.50 -0.11 0.00 0.04 -1.26 -4.32 135.00 128.09 2hw0 s PRO 110 Ca 0.32 -1.14 -0.29 0.00 0.04 0.00 0.00 61.00 59.92 2hw0 s PRO 110 Cb -0.07 -5.24 -0.04 0.00 0.04 0.00 0.00 34.50 29.20 2hw0 s PRO 110 CO 0.22 -3.96 1.47 1.03 0.04 0.00 0.00 177.00 175.80 2hw0 s ARG 111 N 6.48 4.20 0.31 4.56 1.81 -1.26 -4.87 118.95 130.19 2hw0 s ARG 111 Ca 0.68 1.93 0.10 0.00 -1.72 0.00 0.00 55.73 56.72 2hw0 s ARG 111 Cb -0.01 -3.88 -0.05 0.00 -0.45 0.00 0.00 34.95 30.56 2hw0 s ARG 111 CO 0.13 -0.79 -0.04 -1.54 -0.68 0.00 0.00 175.30 172.38 2hw0 s SER 112 N 2.71 4.11 0.44 0.23 1.04 -1.26 -3.47 113.70 117.49 2hw0 s SER 112 Ca 0.64 -0.94 -0.07 0.00 0.48 0.00 0.00 55.95 56.07 2hw0 s SER 112 Cb -0.28 -0.54 -0.05 0.00 0.10 0.00 0.00 66.02 65.26 2hw0 s SER 112 CO 0.22 -0.13 0.76 -1.58 0.98 0.00 0.00 173.24 173.49 2hw0 s GLN 113 N -3.66 3.62 -0.04 4.02 0.74 -1.26 -4.89 119.66 118.18 2hw0 s GLN 113 Ca 0.33 0.25 -0.03 0.00 0.05 0.00 0.00 55.36 55.96 2hw0 s GLN 113 Cb -0.02 -2.41 0.02 0.00 1.10 0.00 0.00 33.01 31.70 2hw0 s GLN 113 CO 0.18 -0.11 0.11 0.20 -0.55 0.00 0.00 175.29 175.12 2hw0 s GLY 114 N -3.74 -0.06 0.17 2.59 0.00 -1.26 -5.00 107.32 100.03 2hw0 s GLY 114 Ca 0.48 0.38 0.00 0.00 0.00 0.00 0.00 44.72 45.58 2hw0 s GLY 114 CO 0.39 0.44 0.00 -0.18 0.00 0.00 0.00 173.10 173.75 2hw0 n GLN 115 N 3.35 0.00 -0.30 2.90 7.27 -1.26 -5.30 117.38 124.04 2hw0 n GLN 115 Ca -0.16 0.00 0.00 0.00 0.07 0.00 0.00 57.00 56.91 2hw0 n GLN 115 Cb 0.57 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.22 2hw0 n GLN 115 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67