#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 7.09 0.20 3.54 0.15 -1.26 -5.07 113.70 118.35 2hw0 s SER 3 Ca 0.00 1.29 -0.21 0.00 0.70 0.00 0.00 55.95 57.73 2hw0 s SER 3 Cb 0.00 -2.38 0.05 0.00 -1.71 0.00 0.00 66.02 61.98 2hw0 s SER 3 CO 0.00 0.25 0.61 -1.59 1.20 0.00 0.00 173.24 173.70 2hw0 s LYS 4 N -1.00 1.42 0.12 5.44 -2.85 -1.26 -5.18 119.74 116.43 2hw0 s LYS 4 Ca 0.30 -0.70 0.10 0.00 -1.00 0.00 0.00 55.97 54.67 2hw0 s LYS 4 Cb -0.20 0.58 -0.04 0.00 -2.06 0.00 0.00 37.83 36.11 2hw0 s LYS 4 CO 0.20 -0.63 -0.24 0.15 0.10 0.00 0.00 175.35 174.93 2hw0 s LYS 5 N -3.82 1.29 0.24 1.78 3.01 -1.26 -5.14 119.74 115.84 2hw0 s LYS 5 Ca 0.05 -1.28 -0.06 0.00 -1.01 0.00 0.00 55.97 53.68 2hw0 s LYS 5 Cb -0.02 -1.68 0.02 0.00 -1.01 0.00 0.00 37.83 35.14 2hw0 s LYS 5 CO -0.06 0.39 0.43 0.27 0.51 0.00 0.00 175.35 176.89 2hw0 n ASN 6 N 0.96 -1.22 0.00 2.83 6.94 -1.26 -5.19 115.26 118.32 2hw0 n ASN 6 Ca -0.18 -2.13 0.00 0.00 -0.02 0.00 0.00 54.58 52.25 2hw0 n ASN 6 Cb 0.53 2.11 0.00 0.00 -2.36 0.00 0.00 39.78 40.07 2hw0 n ASN 6 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2hw0 n GLY 7 N -0.36 5.40 3.04 4.83 0.00 -1.26 -5.18 105.19 111.66 2hw0 n GLY 7 Ca -0.03 -1.33 -0.12 0.00 0.00 0.00 0.00 46.02 44.54 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 1.50 0.48 0.02 1.61 3.00 -1.26 -5.17 118.95 119.12 2hw0 s ARG 8 Ca 0.00 -0.70 -0.00 0.00 -1.00 0.00 0.00 55.73 54.03 2hw0 s ARG 8 Cb 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 34.95 34.74 2hw0 s ARG 8 CO 0.00 0.03 0.02 -1.13 0.00 0.00 0.00 175.30 174.23 2hw0 n SER 9 N 1.57 0.02 0.00 -2.12 3.41 -1.26 -5.07 113.62 110.18 2hw0 n SER 9 Ca -0.22 -1.02 0.00 0.00 -0.26 0.00 0.00 58.87 57.36 2hw0 n SER 9 Cb 0.55 -0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.48 2hw0 n SER 9 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hw0 n GLY 10 N 4.82 0.63 3.77 5.00 0.00 -1.26 -5.08 105.19 113.07 2hw0 n GLY 10 Ca 0.00 -2.10 -0.39 0.00 0.00 0.00 0.00 46.02 43.53 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 -1.04 4.16 0.11 1.61 0.04 -1.26 -5.05 135.00 133.56 2hw0 s PRO 11 Ca 0.00 1.93 0.06 0.00 0.04 0.00 0.00 61.00 63.03 2hw0 s PRO 11 Cb 0.00 -2.81 -0.04 0.00 0.04 0.00 0.00 34.50 31.70 2hw0 s PRO 11 CO 0.00 -0.26 -0.14 -0.65 0.04 0.00 0.00 177.00 176.00 2hw0 s GLN 12 N -2.11 0.97 0.49 4.56 -0.21 -1.26 -5.09 119.66 117.01 2hw0 s GLN 12 Ca 0.54 -1.19 -0.22 0.00 0.02 0.00 0.00 55.36 54.52 2hw0 s GLN 12 Cb -0.33 -0.85 -0.07 0.00 1.00 0.00 0.00 33.01 32.76 2hw0 s GLN 12 CO 0.42 0.17 1.15 -1.25 -2.12 0.00 0.00 175.29 173.66 2hw0 s PRO 13 N -2.54 3.60 0.35 2.91 0.04 -1.26 -4.89 135.00 133.21 2hw0 s PRO 13 Ca 0.07 1.71 0.06 0.00 0.04 0.00 0.00 61.00 62.87 2hw0 s PRO 13 Cb -0.05 -2.25 -0.03 0.00 0.04 0.00 0.00 34.50 32.21 2hw0 s PRO 13 CO 0.03 -0.67 0.22 -1.01 0.04 0.00 0.00 177.00 175.61 2hw0 s HIS 14 N -1.63 1.72 -0.48 0.56 3.76 -0.47 -4.69 115.29 114.07 2hw0 s HIS 14 Ca 0.67 -1.53 0.16 0.00 -0.15 0.00 0.00 55.06 54.21 2hw0 s HIS 14 Cb -0.27 -0.84 0.71 0.00 1.11 0.00 0.00 32.58 33.29 2hw0 s HIS 14 CO 0.32 -0.68 1.63 0.36 -0.85 0.00 0.00 174.74 175.51 2hw0 n LYS 15 N -0.69 4.08 -3.73 1.40 0.00 -1.26 -2.33 118.16 115.64 2hw0 n LYS 15 Ca 0.03 -2.98 -0.17 0.00 -0.00 0.00 0.00 58.31 55.19 2hw0 n LYS 15 Cb 0.63 -2.04 -0.17 0.00 -0.00 0.00 0.00 35.03 33.46 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 -0.05 -0.14 -1.58 0.52 -1.26 0.00 118.95 113.97 2hw0 s ARG 16 Ca 0.50 0.29 -0.10 0.00 -0.52 0.00 0.00 55.73 55.89 2hw0 s ARG 16 Cb 0.37 -0.35 0.04 0.00 0.52 0.00 0.00 34.95 35.53 2hw0 s ARG 16 CO 0.16 -0.24 0.35 -1.58 0.02 0.00 0.00 175.30 174.01 2hw0 s TRP 17 N 1.55 -0.43 0.21 -0.53 0.52 -0.97 -4.15 118.94 115.15 2hw0 s TRP 17 Ca -0.03 0.99 0.07 0.00 0.02 0.00 0.00 56.10 57.15 2hw0 s TRP 17 Cb -0.13 0.15 -0.04 0.00 -1.15 0.00 0.00 33.47 32.31 2hw0 s TRP 17 CO -0.03 -0.23 0.08 0.14 0.02 0.00 0.00 176.95 176.92 2hw0 s VAL 18 N 0.67 4.00 0.02 4.03 -7.23 0.77 -1.97 120.40 120.69 2hw0 s VAL 18 Ca -0.04 -1.45 0.02 0.00 -1.81 0.00 0.00 61.98 58.70 2hw0 s VAL 18 Cb -0.05 -3.08 -0.01 0.00 0.56 0.00 0.00 36.38 33.79 2hw0 s VAL 18 CO -0.04 -0.23 -0.07 0.72 -0.31 0.00 0.00 175.10 175.17 2hw0 s PHE 19 N -1.96 0.63 -0.14 2.82 -0.71 -0.98 -1.19 117.98 116.45 2hw0 s PHE 19 Ca 0.30 -0.29 -0.07 0.00 -1.04 0.00 0.00 56.93 55.83 2hw0 s PHE 19 Cb -0.08 -0.39 0.06 0.00 -1.21 0.00 0.00 43.02 41.39 2hw0 s PHE 19 CO 0.21 -0.04 0.33 0.95 -1.34 0.00 0.00 175.22 175.34 2hw0 s THR 20 N -0.74 -0.10 -0.03 -4.49 -4.23 0.18 -2.52 115.64 103.71 2hw0 s THR 20 Ca -0.03 0.14 -0.01 0.00 -1.18 0.00 0.00 61.69 60.61 2hw0 s THR 20 Cb -0.06 -0.51 0.03 0.00 1.34 0.00 0.00 72.50 73.30 2hw0 s THR 20 CO 0.00 0.06 0.05 -0.22 -0.54 0.00 0.00 174.62 173.96 2hw0 s LEU 21 N 1.51 0.76 0.11 4.79 2.96 -0.86 -1.56 118.68 126.38 2hw0 s LEU 21 Ca -0.08 0.07 -0.30 0.00 -0.22 0.00 0.00 54.13 53.60 2hw0 s LEU 21 Cb -0.10 -0.07 -0.06 0.00 0.50 0.00 0.00 46.19 46.47 2hw0 s LEU 21 CO -0.11 -0.17 1.01 0.21 -1.32 0.00 0.00 176.35 175.98 2hw0 s ASN 22 N 1.43 7.40 -0.88 3.68 2.47 -1.26 -0.16 114.94 127.62 2hw0 s ASN 22 Ca -0.05 1.86 -0.06 0.00 0.42 0.00 0.00 52.86 55.04 2hw0 s ASN 22 Cb -0.13 -2.59 -0.01 0.00 -1.45 0.00 0.00 41.25 37.08 2hw0 s ASN 22 CO -0.03 -0.15 0.71 -3.20 -3.72 0.00 0.00 177.10 170.70 2hw0 n ASN 23 N 2.89 -6.24 -4.77 -4.21 4.05 0.88 -4.93 115.26 102.93 2hw0 n ASN 23 Ca 0.03 -0.61 -0.34 0.00 0.45 0.00 0.00 54.58 54.11 2hw0 n ASN 23 Cb 0.48 -3.72 0.02 0.00 1.23 0.00 0.00 39.78 37.79 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 -4.40 3.17 0.39 1.20 0.04 -1.25 -5.05 135.00 129.10 2hw0 s PRO 24 Ca 0.14 1.54 -0.01 0.00 0.04 0.00 0.00 61.00 62.70 2hw0 s PRO 24 Cb -0.05 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.47 2hw0 s PRO 24 CO 0.82 -0.98 0.63 0.45 0.04 0.00 0.00 177.00 177.96 2hw0 s SER 25 N -2.05 6.28 0.49 6.66 0.15 -1.26 -4.88 113.70 119.09 2hw0 s SER 25 Ca 0.71 0.61 0.16 0.00 0.70 0.00 0.00 55.95 58.13 2hw0 s SER 25 Cb -0.23 -2.10 1.19 0.00 -1.71 0.00 0.00 66.02 63.17 2hw0 s SER 25 CO 0.32 -0.39 2.09 1.05 1.20 0.00 0.00 173.24 177.51 2hw0 h GLU 26 N 0.57 0.00 0.02 5.44 4.11 -1.98 0.27 114.58 123.01 2hw0 h GLU 26 Ca -0.49 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 58.91 2hw0 h GLU 26 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2hw0 h GLU 26 CO 0.61 0.07 -0.13 0.22 0.07 0.00 0.00 179.01 179.86 2hw0 h ASP 27 N 0.00 0.08 -0.06 3.06 3.58 -1.98 -2.58 116.42 118.52 2hw0 h ASP 27 Ca -0.00 -0.94 -0.01 0.00 0.42 0.00 0.00 57.03 56.51 2hw0 h ASP 27 Cb 0.13 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.15 2hw0 h ASP 27 CO 0.01 1.01 0.01 -0.08 -2.88 0.00 0.00 179.24 177.31 2hw0 h GLU 28 N -0.84 0.10 -0.90 0.28 4.22 -1.90 -0.15 114.58 115.40 2hw0 h GLU 28 Ca -0.02 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.40 2hw0 h GLU 28 Cb 1.05 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.24 2hw0 h GLU 28 CO 0.02 0.31 0.57 -0.09 -2.18 0.00 0.00 179.01 177.64 2hw0 h ARG 29 N -0.12 1.19 -0.20 1.92 2.43 -0.63 -2.08 114.38 116.90 2hw0 h ARG 29 Ca 0.02 -0.09 -0.14 0.00 -0.81 0.00 0.00 59.98 58.97 2hw0 h ARG 29 Cb 0.26 -0.26 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 2hw0 h ARG 29 CO 0.00 0.81 -0.45 -0.22 -1.51 0.00 0.00 179.97 178.60 2hw0 h LYS 30 N 1.22 0.49 0.01 0.20 3.64 -1.32 -1.96 116.57 118.86 2hw0 h LYS 30 Ca 0.33 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2hw0 h LYS 30 Cb -0.10 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.73 2hw0 h LYS 30 CO -0.07 0.85 -0.00 -0.22 -2.27 0.00 0.00 179.45 177.74 2hw0 h LYS 31 N 0.40 -0.01 -0.51 1.90 3.64 -0.35 0.35 116.57 121.98 2hw0 h LYS 31 Ca 0.03 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.33 2hw0 h LYS 31 Cb 0.95 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 2hw0 h LYS 31 CO 0.08 0.04 0.01 0.82 -2.27 0.00 0.00 179.45 178.13 2hw0 h ILE 32 N -0.06 1.26 0.00 2.00 2.04 -1.43 -1.96 117.51 119.37 2hw0 h ILE 32 Ca -0.00 -1.07 -0.01 0.00 1.00 0.00 0.00 64.86 64.77 2hw0 h ILE 32 Cb 0.06 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2hw0 h ILE 32 CO 0.00 0.38 -0.05 -0.09 0.00 0.00 0.00 178.15 178.39 2hw0 h ARG 33 N 0.76 0.00 -0.64 2.37 2.43 -1.20 -2.34 114.38 115.77 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 0.51 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2hw0 h ARG 33 CO 0.02 0.05 0.00 -3.47 -1.51 0.00 0.00 179.97 175.06 2hw0 n ASP 34 N -3.16 3.68 -4.72 -3.80 2.03 0.12 -4.98 116.55 105.72 2hw0 n ASP 34 Ca 0.01 -1.99 -0.31 0.00 0.52 0.00 0.00 54.79 53.01 2hw0 n ASP 34 Cb 0.34 -0.42 0.13 0.00 -0.72 0.00 0.00 41.12 40.44 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 -1.11 2.89 -0.12 -2.67 1.43 -0.78 -4.93 118.68 113.39 2hw0 s LEU 35 Ca 0.45 1.97 -0.29 0.00 -1.03 0.00 0.00 54.13 55.23 2hw0 s LEU 35 Cb 0.24 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.92 2hw0 s LEU 35 CO 0.32 -2.57 1.55 -2.16 0.23 0.00 0.00 176.35 173.72 2hw0 s PRO 36 N -4.79 4.10 0.26 1.29 0.04 -1.26 -4.90 135.00 129.73 2hw0 s PRO 36 Ca 0.64 1.92 0.02 0.00 0.04 0.00 0.00 61.00 63.63 2hw0 s PRO 36 Cb -0.20 -3.94 0.34 0.00 0.04 0.00 0.00 34.50 30.74 2hw0 s PRO 36 CO 0.57 -0.93 1.65 -0.84 0.04 0.00 0.00 177.00 177.50 2hw0 h ILE 37 N 5.70 1.30 0.00 0.56 3.07 -1.91 -2.65 117.51 123.58 2hw0 h ILE 37 Ca -0.35 -1.52 -0.01 0.00 1.55 0.00 0.00 64.86 64.54 2hw0 h ILE 37 Cb 1.15 1.59 -0.00 0.00 -0.27 0.00 0.00 36.82 39.29 2hw0 h ILE 37 CO 0.97 0.47 -0.05 0.77 -1.05 0.00 0.00 178.15 179.26 2hw0 h SER 38 N 0.35 0.00 0.79 2.16 4.64 -1.98 -2.15 113.55 117.35 2hw0 h SER 38 Ca 0.03 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.23 2hw0 h SER 38 Cb 0.84 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.91 2hw0 h SER 38 CO 0.07 0.05 -0.58 0.25 -0.87 0.00 0.00 176.83 175.74 2hw0 h LEU 39 N 0.00 0.00 -7.81 5.97 6.46 -1.87 -3.42 115.31 114.64 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 0.36 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 39.93 2hw0 h LEU 39 CO 0.01 0.58 -0.82 -0.36 -0.62 0.00 0.00 178.44 177.23 2hw0 s PHE 40 N -3.46 2.32 0.54 1.25 0.40 -0.81 -2.74 117.98 115.49 2hw0 s PHE 40 Ca -0.00 -1.47 0.31 0.00 -0.60 0.00 0.00 56.93 55.16 2hw0 s PHE 40 Cb 0.12 -1.62 1.47 0.00 0.51 0.00 0.00 43.02 43.50 2hw0 s PHE 40 CO 0.75 -0.72 1.90 0.22 0.70 0.00 0.00 175.22 178.06 2hw0 h ASP 41 N 8.00 0.00 -3.37 1.36 3.58 -1.66 -3.38 116.42 120.95 2hw0 h ASP 41 Ca -0.31 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 56.82 2hw0 h ASP 41 Cb 1.11 0.00 -0.36 0.00 1.72 0.00 0.00 39.33 41.80 2hw0 h ASP 41 CO 0.49 0.00 -0.71 -0.47 -2.88 0.00 0.00 179.24 175.67 2hw0 s TYR 42 N -4.93 -0.01 -0.14 0.28 5.04 -1.25 -0.22 117.35 116.12 2hw0 s TYR 42 Ca -0.05 0.29 -0.02 0.00 -2.44 0.00 0.00 57.07 54.85 2hw0 s TYR 42 Cb 0.21 -0.32 0.04 0.00 0.35 0.00 0.00 41.96 42.24 2hw0 s TYR 42 CO 0.74 -0.16 -0.00 0.12 -1.34 0.00 0.00 175.55 174.90 2hw0 s PHE 43 N 1.69 1.10 -0.09 4.97 2.19 -1.00 -0.07 117.98 126.77 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 -0.12 -1.03 0.04 0.00 -1.31 0.00 0.00 43.02 40.59 2hw0 s PHE 43 CO -0.04 -0.52 0.04 -1.50 1.83 0.00 0.00 175.22 175.04 2hw0 s ILE 44 N 1.83 0.16 0.02 3.12 2.07 -0.46 -1.47 121.20 126.46 2hw0 s ILE 44 Ca 0.02 0.10 0.08 0.00 -1.41 0.00 0.00 60.65 59.45 2hw0 s ILE 44 Cb -0.15 -0.47 -0.02 0.00 0.13 0.00 0.00 42.46 41.95 2hw0 s ILE 44 CO -0.07 0.10 -0.25 -0.69 -1.91 0.00 0.00 174.94 172.12 2hw0 s VAL 45 N 2.05 2.03 0.02 4.00 1.01 -0.50 0.02 120.40 129.03 2hw0 s VAL 45 Ca 0.04 -1.23 0.05 0.00 0.00 0.00 0.00 61.98 60.84 2hw0 s VAL 45 Cb -0.13 -1.71 -0.02 0.00 0.00 0.00 0.00 36.38 34.52 2hw0 s VAL 45 CO -0.05 0.44 -0.15 -0.83 0.00 0.00 0.00 175.10 174.50 2hw0 s GLY 46 N -0.95 0.82 -0.11 4.51 0.00 -0.32 -0.85 107.32 110.42 2hw0 s GLY 46 Ca 0.10 -0.78 -0.01 0.00 0.00 0.00 0.00 44.72 44.03 2hw0 s GLY 46 CO 0.01 -0.72 -0.08 -1.83 0.00 0.00 0.00 173.10 170.48 2hw0 s GLU 47 N -0.81 3.21 -0.22 2.90 -1.05 0.14 -2.31 118.70 120.56 2hw0 s GLU 47 Ca 0.04 -0.58 0.01 0.00 -0.15 0.00 0.00 54.97 54.29 2hw0 s GLU 47 Cb -0.07 -2.70 0.06 0.00 -0.44 0.00 0.00 34.13 30.98 2hw0 s GLU 47 CO 0.01 0.41 -0.06 -2.00 0.95 0.00 0.00 175.26 174.56 2hw0 s GLU 48 N -0.12 1.65 -0.09 -4.83 2.56 -1.02 -4.12 118.70 112.73 2hw0 s GLU 48 Ca 0.01 -0.92 0.04 0.00 0.00 0.00 0.00 54.97 54.10 2hw0 s GLU 48 Cb -0.13 -2.50 0.11 0.00 2.00 0.00 0.00 34.13 33.60 2hw0 s GLU 48 CO 0.03 -0.56 0.86 0.41 -0.56 0.00 0.00 175.26 175.44 2hw0 n GLY 49 N 4.70 0.47 2.21 -1.50 0.00 -1.26 -0.67 105.19 109.14 2hw0 n GLY 49 Ca -0.12 -0.05 -0.30 0.00 0.00 0.00 0.00 46.02 45.55 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 -0.42 6.91 -3.58 1.61 4.05 -1.26 -4.81 115.26 117.76 2hw0 n ASN 50 Ca -0.15 -3.60 -0.26 0.00 0.45 0.00 0.00 54.58 51.02 2hw0 n ASN 50 Cb 0.62 -0.97 -0.16 0.00 1.23 0.00 0.00 39.78 40.50 2hw0 n ASN 50 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2hw0 s GLU 51 N -3.32 0.11 0.55 1.20 2.02 -1.26 -5.13 118.70 112.86 2hw0 s GLU 51 Ca 0.56 -0.18 -0.20 0.00 0.02 0.00 0.00 54.97 55.17 2hw0 s GLU 51 Cb 0.45 -1.59 -0.07 0.00 0.10 0.00 0.00 34.13 33.02 2hw0 s GLU 51 CO 0.01 -0.77 0.98 -1.91 0.02 0.00 0.00 175.26 173.58 2hw0 n GLU 52 N 5.28 1.06 0.00 1.61 2.13 -1.26 -2.40 120.64 127.06 2hw0 n GLU 52 Ca -0.07 0.40 0.00 0.00 0.66 0.00 0.00 57.16 58.15 2hw0 n GLU 52 Cb 0.47 -2.14 0.00 0.00 0.27 0.00 0.00 31.44 30.05 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 1.25 3.31 3.31 8.31 0.00 -1.26 -5.02 105.19 115.09 2hw0 n GLY 53 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.65 1.31 0.53 1.61 3.52 -1.01 -5.14 118.95 119.11 2hw0 s ARG 54 Ca 0.00 -1.15 -0.08 0.00 -0.13 0.00 0.00 55.73 54.37 2hw0 s ARG 54 Cb 0.00 -1.58 -0.04 0.00 -1.56 0.00 0.00 34.95 31.77 2hw0 s ARG 54 CO 0.00 0.38 0.88 0.95 -0.81 0.00 0.00 175.30 176.70 2hw0 s THR 55 N -1.02 4.82 0.26 4.11 -4.23 -1.26 -4.77 115.64 113.55 2hw0 s THR 55 Ca 0.09 0.51 -0.30 0.00 -1.18 0.00 0.00 61.69 60.81 2hw0 s THR 55 Cb -0.10 -3.85 -0.09 0.00 1.34 0.00 0.00 72.50 69.80 2hw0 s THR 55 CO 0.04 -0.92 1.26 -2.16 -0.54 0.00 0.00 174.62 172.30 2hw0 s PRO 56 N -4.80 4.43 0.01 3.99 0.04 -1.26 -4.78 135.00 132.63 2hw0 s PRO 56 Ca 0.51 2.05 0.08 0.00 0.04 0.00 0.00 61.00 63.68 2hw0 s PRO 56 Cb -0.11 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.26 2hw0 s PRO 56 CO 0.47 -0.13 -0.23 -1.58 0.04 0.00 0.00 177.00 175.57 2hw0 s HIS 57 N -0.57 2.43 -0.10 0.56 2.46 0.16 -0.08 115.29 120.13 2hw0 s HIS 57 Ca 0.51 -0.35 -0.16 0.00 0.47 0.00 0.00 55.06 55.54 2hw0 s HIS 57 Cb -0.37 -1.47 -0.05 0.00 -0.13 0.00 0.00 32.58 30.56 2hw0 s HIS 57 CO 0.44 0.11 0.39 -1.17 -2.47 0.00 0.00 174.74 172.03 2hw0 s LEU 58 N -1.02 4.31 -0.24 8.88 0.20 0.78 -2.42 118.68 129.17 2hw0 s LEU 58 Ca 0.12 0.73 -0.03 0.00 0.69 0.00 0.00 54.13 55.64 2hw0 s LEU 58 Cb -0.10 -2.54 0.13 0.00 -0.43 0.00 0.00 46.19 43.25 2hw0 s LEU 58 CO 0.02 0.12 0.42 -1.58 -0.29 0.00 0.00 176.35 175.03 2hw0 s GLN 59 N 0.12 0.37 0.28 1.98 2.00 -0.98 -2.03 119.66 121.41 2hw0 s GLN 59 Ca 0.22 0.69 -0.12 0.00 -2.00 0.00 0.00 55.36 54.15 2hw0 s GLN 59 Cb -0.15 -0.19 0.01 0.00 0.80 0.00 0.00 33.01 33.48 2hw0 s GLN 59 CO 0.09 -0.57 0.54 0.20 -0.50 0.00 0.00 175.29 175.05 2hw0 s GLY 60 N 2.60 0.60 -0.00 2.59 0.00 -1.05 -1.17 107.32 110.89 2hw0 s GLY 60 Ca 0.11 -0.90 0.04 0.00 0.00 0.00 0.00 44.72 43.97 2hw0 s GLY 60 CO -0.16 -0.59 -0.12 -0.12 0.00 0.00 0.00 173.10 172.12 2hw0 s PHE 61 N -3.66 1.04 -0.06 1.90 5.36 0.10 -2.31 117.98 120.36 2hw0 s PHE 61 Ca 0.22 -0.21 0.00 0.00 -0.96 0.00 0.00 56.93 55.98 2hw0 s PHE 61 Cb -0.02 -0.67 0.02 0.00 -0.34 0.00 0.00 43.02 42.02 2hw0 s PHE 61 CO 0.11 -0.01 -0.03 0.00 -1.46 0.00 0.00 175.22 173.83 2hw0 s ALA 62 N -0.33 0.70 -0.35 11.12 0.00 -0.83 -1.36 121.76 130.70 2hw0 s ALA 62 Ca 0.04 -0.09 -0.20 0.00 0.00 0.00 0.00 51.96 51.71 2hw0 s ALA 62 Cb -0.05 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.52 2hw0 s ALA 62 CO -0.00 -0.19 0.61 1.21 0.00 0.00 0.00 175.76 177.39 2hw0 s ASN 63 N 1.32 6.41 0.06 0.00 3.84 0.89 -2.28 114.94 125.18 2hw0 s ASN 63 Ca -0.05 0.12 -0.31 0.00 0.21 0.00 0.00 52.86 52.83 2hw0 s ASN 63 Cb -0.13 -2.31 -0.07 0.00 -0.55 0.00 0.00 41.25 38.18 2hw0 s ASN 63 CO -0.02 -0.57 1.36 -0.36 -2.79 0.00 0.00 177.10 174.72 2hw0 s PHE 64 N 2.64 3.14 0.57 0.43 0.08 0.10 -2.44 117.98 122.50 2hw0 s PHE 64 Ca 0.23 0.97 0.30 0.00 0.12 0.00 0.00 56.93 58.55 2hw0 s PHE 64 Cb -0.15 -3.62 1.78 0.00 -0.57 0.00 0.00 43.02 40.46 2hw0 s PHE 64 CO 0.14 -2.19 2.23 0.28 -0.10 0.00 0.00 175.22 175.59 2hw0 h VAL 65 N 4.54 0.53 -4.12 -0.44 2.07 -1.79 -3.42 116.25 113.61 2hw0 h VAL 65 Ca -0.41 -0.08 -0.29 0.00 0.82 0.00 0.00 66.70 66.75 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 0.87 0.02 -0.23 2.29 0.02 0.00 0.00 177.57 180.54 2hw0 n LYS 66 N -3.81 1.01 -3.12 1.57 0.00 -1.26 -5.00 118.16 107.55 2hw0 n LYS 66 Ca -0.03 -1.70 -0.40 0.00 -0.00 0.00 0.00 58.31 56.18 2hw0 n LYS 66 Cb 0.10 0.74 -0.06 0.00 -0.00 0.00 0.00 35.03 35.82 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 -2.80 4.18 0.07 -1.58 -0.14 -1.26 -4.21 119.74 114.01 2hw0 s LYS 67 Ca 0.06 0.59 0.02 0.00 -1.36 0.00 0.00 55.97 55.28 2hw0 s LYS 67 Cb 0.00 -3.60 -0.03 0.00 -1.68 0.00 0.00 37.83 32.52 2hw0 s LYS 67 CO 0.04 -0.28 -0.08 -0.65 -0.76 0.00 0.00 175.35 173.62 2hw0 s GLN 68 N 2.06 0.69 0.58 1.68 -1.52 -0.98 -4.87 119.66 117.30 2hw0 s GLN 68 Ca 0.28 -1.02 0.02 0.00 -1.95 0.00 0.00 55.36 52.69 2hw0 s GLN 68 Cb -0.16 -0.33 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 -2.27 2.56 0.06 -0.19 -4.23 -1.26 -1.37 115.64 108.94 2hw0 s THR 69 Ca -0.00 -0.69 -0.28 0.00 -1.18 0.00 0.00 61.69 59.54 2hw0 s THR 69 Cb -0.04 -2.86 -0.17 0.00 1.34 0.00 0.00 72.50 70.77 2hw0 s THR 69 CO -0.01 0.00 1.57 0.15 -0.54 0.00 0.00 174.62 175.79 2hw0 h PHE 70 N -0.00 -0.42 -0.76 3.99 3.57 -1.98 0.31 116.94 121.64 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 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 40.13 2hw0 h PHE 70 CO 0.27 -0.20 0.44 -0.91 -2.23 0.00 0.00 178.31 175.67 2hw0 h ASN 71 N -0.55 0.94 -0.04 0.41 2.35 -2.00 -2.56 115.58 114.14 2hw0 h ASN 71 Ca -0.05 -0.08 -0.00 0.00 -0.55 0.00 0.00 56.30 55.62 2hw0 h ASN 71 Cb 0.41 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 2hw0 h ASN 71 CO 0.08 0.75 0.01 0.50 -1.65 0.00 0.00 177.43 177.11 2hw0 h LYS 72 N 1.05 0.06 -0.31 0.81 3.11 -1.92 -2.63 116.57 116.73 2hw0 h LYS 72 Ca 0.27 -0.02 0.09 0.00 -2.81 0.00 0.00 60.65 58.19 2hw0 h LYS 72 Cb 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.21 2hw0 h LYS 72 CO -0.05 0.29 0.35 0.28 -2.81 0.00 0.00 179.45 177.52 2hw0 h VAL 73 N -0.18 0.39 0.00 2.00 2.07 -0.21 0.30 116.25 120.62 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 0.26 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.74 2hw0 h VAL 73 CO 0.00 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.88 2hw0 n LYS 74 N -3.71 0.08 0.29 1.57 5.02 -0.98 -1.68 118.16 118.75 2hw0 n LYS 74 Ca 0.05 0.47 0.18 0.00 -2.02 0.00 0.00 58.31 56.99 2hw0 n LYS 74 Cb 0.51 -1.71 0.78 0.00 -0.02 0.00 0.00 35.03 34.58 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 -0.52 0.88 115.95 123.51 2hw0 h TRP 75 Ca 0.00 0.00 -0.15 0.00 1.08 0.00 0.00 58.89 59.82 2hw0 h TRP 75 Cb 0.13 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.27 2hw0 h TRP 75 CO 0.00 0.01 -1.49 0.66 -1.28 0.00 0.00 178.44 176.34 2hw0 n TYR 76 N -3.10 0.00 0.54 0.12 4.01 -0.68 -4.62 117.16 113.43 2hw0 n TYR 76 Ca -0.00 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 57.85 2hw0 n TYR 76 Cb 0.27 -0.33 0.44 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 0.43 -0.95 7.72 4.77 -0.96 -4.93 117.00 119.64 2hw0 n LEU 77 Ca -0.18 0.59 0.06 0.00 -0.03 0.00 0.00 56.01 56.45 2hw0 n LEU 77 Cb 0.62 -0.50 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 2hw0 n LEU 77 CO 0.01 -0.34 -0.37 0.61 -1.33 0.00 0.00 177.39 175.97 2hw0 n GLY 78 N 0.40 -3.33 0.14 -0.72 0.00 0.30 -4.11 105.19 97.87 2hw0 n GLY 78 Ca 0.04 -1.12 0.01 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 -0.48 0.81 -0.91 4.61 0.00 -1.95 -3.21 119.26 118.12 2hw0 h ALA 79 Ca -0.07 -0.54 0.13 0.00 0.00 0.00 0.00 54.91 54.43 2hw0 h ALA 79 Cb 0.77 -0.09 -0.09 0.00 0.00 0.00 0.00 17.79 18.38 2hw0 h ALA 79 CO 0.03 0.74 0.53 0.00 0.00 0.00 0.00 179.25 180.55 2hw0 h ARG 80 N 0.00 0.79 -5.89 0.00 2.47 -1.95 -3.40 114.38 106.40 2hw0 h ARG 80 Ca -0.01 -0.05 -0.59 0.00 -1.26 0.00 0.00 59.98 58.07 2hw0 h ARG 80 Cb 1.21 -0.18 -0.07 0.00 -1.65 0.00 0.00 29.97 29.28 2hw0 h ARG 80 CO 0.08 0.52 -0.18 0.00 0.56 0.00 0.00 179.97 180.95 2hw0 s HIS 82 N -0.37 3.43 0.01 0.00 2.46 -0.60 -4.81 115.29 115.40 2hw0 s HIS 82 Ca 0.24 1.34 0.04 0.00 0.47 0.00 0.00 55.06 57.15 2hw0 s HIS 82 Cb -0.16 -3.43 -0.03 0.00 -0.13 0.00 0.00 32.58 28.83 2hw0 s HIS 82 CO 0.12 -1.28 -0.10 0.42 -2.47 0.00 0.00 174.74 171.43 2hw0 s ILE 83 N 0.59 3.43 0.15 0.89 1.01 -1.26 -0.65 121.20 125.36 2hw0 s ILE 83 Ca 0.56 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 60.27 2hw0 s ILE 83 Cb -0.31 -2.48 -0.01 0.00 0.01 0.00 0.00 42.46 39.66 2hw0 s ILE 83 CO 0.32 0.38 0.22 -1.61 0.00 0.00 0.00 174.94 174.25 2hw0 s GLU 84 N -1.41 1.06 0.03 2.79 2.02 -0.33 -4.98 118.70 117.87 2hw0 s GLU 84 Ca 0.16 -1.20 -0.27 0.00 0.02 0.00 0.00 54.97 53.69 2hw0 s GLU 84 Cb -0.11 0.34 -0.05 0.00 0.10 0.00 0.00 34.13 34.42 2hw0 s GLU 84 CO 0.07 -0.36 0.84 0.15 0.02 0.00 0.00 175.26 175.97 2hw0 s LYS 85 N -3.97 4.54 0.42 1.61 1.02 -1.26 -0.16 119.74 121.93 2hw0 s LYS 85 Ca 0.17 1.18 -0.05 0.00 0.02 0.00 0.00 55.97 57.29 2hw0 s LYS 85 Cb 0.04 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.91 2hw0 s LYS 85 CO -0.01 0.16 0.71 0.00 -0.92 0.00 0.00 175.35 175.29 2hw0 s ALA 86 N 0.33 3.47 0.00 5.17 0.00 -1.26 -4.85 121.76 124.63 2hw0 s ALA 86 Ca 0.43 -0.51 -0.08 0.00 0.00 0.00 0.00 51.96 51.80 2hw0 s ALA 86 Cb -0.21 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 20.42 2hw0 s ALA 86 CO 0.24 -0.14 0.14 -1.59 0.00 0.00 0.00 175.76 174.42 2hw0 s LYS 87 N -4.31 0.49 0.00 0.00 -2.85 -1.26 -4.96 119.74 106.86 2hw0 s LYS 87 Ca 0.47 -0.40 0.00 0.00 -1.00 0.00 0.00 55.97 55.04 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 0.38 -0.12 0.00 0.41 0.10 0.00 0.00 175.35 176.13 2hw0 n GLY 88 N 1.44 -0.12 3.76 0.59 0.00 -1.26 -4.77 105.19 104.83 2hw0 n GLY 88 Ca -0.23 -1.97 -0.28 0.00 0.00 0.00 0.00 46.02 43.54 2hw0 n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hw0 s THR 89 N 0.00 1.77 0.31 2.61 -4.23 -1.26 -4.98 115.64 109.85 2hw0 s THR 89 Ca 0.00 -1.80 0.04 0.00 -1.18 0.00 0.00 61.69 58.75 2hw0 s THR 89 Cb 0.00 -2.56 0.30 0.00 1.34 0.00 0.00 72.50 71.57 2hw0 s THR 89 CO 0.00 0.00 1.85 -0.78 -0.54 0.00 0.00 174.62 175.15 2hw0 h ASP 90 N 1.32 0.83 -0.09 3.99 1.82 -1.97 -0.18 116.42 122.13 2hw0 h ASP 90 Ca -0.42 0.04 -0.12 0.00 -0.39 0.00 0.00 57.03 56.14 2hw0 h ASP 90 Cb 1.28 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 41.15 2hw0 h ASP 90 CO 0.70 0.44 -0.33 1.56 -1.61 0.00 0.00 179.24 180.01 2hw0 h GLN 91 N 0.89 0.58 -0.53 0.28 1.08 -1.96 0.26 115.11 115.71 2hw0 h GLN 91 Ca 0.47 -0.26 -0.10 0.00 -1.45 0.00 0.00 58.65 57.31 2hw0 h GLN 91 Cb 0.55 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.95 2hw0 h GLN 91 CO -0.24 0.83 -0.05 1.96 -0.95 0.00 0.00 178.83 180.38 2hw0 h GLN 92 N 0.49 0.97 0.18 1.46 4.20 -1.46 -0.92 115.11 120.03 2hw0 h GLN 92 Ca 0.06 -0.34 -0.31 0.00 0.06 0.00 0.00 58.65 58.12 2hw0 h GLN 92 Cb 0.81 -0.07 0.03 0.00 0.30 0.00 0.00 27.48 28.54 2hw0 h GLN 92 CO 0.07 1.01 -1.34 -0.91 -0.67 0.00 0.00 178.83 176.98 2hw0 h ASN 93 N 0.84 0.79 -0.24 1.46 -0.26 -1.15 -2.15 115.58 114.87 2hw0 h ASN 93 Ca 0.14 -0.79 -0.01 0.00 -0.56 0.00 0.00 56.30 55.08 2hw0 h ASN 93 Cb 0.60 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.60 2hw0 h ASN 93 CO 0.04 1.61 0.13 0.50 -1.06 0.00 0.00 177.43 178.65 2hw0 h LYS 94 N 0.19 0.34 -0.17 0.81 3.64 -0.46 -2.18 116.57 118.74 2hw0 h LYS 94 Ca -0.21 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 58.97 2hw0 h LYS 94 Cb 2.03 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.77 2hw0 h LYS 94 CO 0.25 0.32 -0.54 0.93 -2.27 0.00 0.00 179.45 178.13 2hw0 h GLU 95 N 0.28 0.51 -0.27 1.90 4.39 -1.27 -2.63 114.58 117.49 2hw0 h GLU 95 Ca 0.08 -0.32 0.04 0.00 0.34 0.00 0.00 59.36 59.51 2hw0 h GLU 95 Cb 0.08 0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 28.73 2hw0 h GLU 95 CO -0.01 0.92 0.04 -0.92 -1.16 0.00 0.00 179.01 177.88 2hw0 h TYR 96 N 0.39 0.06 -0.24 4.33 3.20 -1.16 0.27 116.97 123.82 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 1.08 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 2hw0 h TYR 96 CO 0.04 0.01 -0.30 0.00 -1.64 0.00 0.00 178.16 176.26 2hw0 n SER 98 N -4.09 0.38 0.21 0.00 3.41 -0.81 -3.28 113.62 109.44 2hw0 n SER 98 Ca -0.01 0.55 0.18 0.00 -0.26 0.00 0.00 58.87 59.33 2hw0 n SER 98 Cb 0.44 -0.65 0.84 0.00 -0.26 0.00 0.00 64.21 64.59 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 3.11 0.03 0.27 116.57 124.31 2hw0 h LYS 99 Ca 0.00 0.00 -0.05 0.00 -2.81 0.00 0.00 60.65 57.79 2hw0 h LYS 99 Cb 0.52 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.74 2hw0 h LYS 99 CO 0.00 0.00 -0.23 0.93 -2.81 0.00 0.00 179.45 177.34 2hw0 h GLU 100 N 0.00 0.00 0.00 1.90 4.39 -1.74 -3.47 114.58 115.67 2hw0 h GLU 100 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2hw0 h GLU 100 Cb 0.54 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.19 2hw0 h GLU 100 CO -0.00 0.23 0.00 0.41 -1.16 0.00 0.00 179.01 178.48 2hw0 n GLY 101 N 0.31 1.15 2.84 -3.84 0.00 0.94 -4.94 105.19 101.65 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 0.21 0.00 0.00 0.00 173.32 173.53 2hw0 s ASN 102 N -2.47 1.42 -0.20 1.61 2.47 -1.26 -5.10 114.94 111.41 2hw0 s ASN 102 Ca 0.00 -0.13 -0.10 0.00 0.42 0.00 0.00 52.86 53.05 2hw0 s ASN 102 Cb 0.00 -0.50 -0.05 0.00 -1.45 0.00 0.00 41.25 39.26 2hw0 s ASN 102 CO 0.00 -0.13 0.13 -0.76 -3.72 0.00 0.00 177.10 172.62 2hw0 s LEU 103 N 1.53 4.21 0.13 3.21 1.43 -1.26 -0.68 118.68 127.25 2hw0 s LEU 103 Ca -0.01 0.23 0.16 0.00 -1.03 0.00 0.00 54.13 53.48 2hw0 s LEU 103 Cb -0.13 -2.09 -0.08 0.00 0.03 0.00 0.00 46.19 43.93 2hw0 s LEU 103 CO -0.04 0.19 1.02 0.25 0.23 0.00 0.00 176.35 178.00 2hw0 h LEU 104 N 6.63 0.00 -7.00 1.79 5.85 -1.26 -3.44 115.31 117.88 2hw0 h LEU 104 Ca -0.41 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.29 2hw0 h LEU 104 Cb 1.15 0.00 -0.21 0.00 0.37 0.00 0.00 40.66 41.97 2hw0 h LEU 104 CO 0.76 0.55 0.09 -0.32 -0.34 0.00 0.00 178.44 179.18 2hw0 s MET 105 N -2.94 0.80 -0.25 1.25 0.00 -0.86 -4.97 119.30 112.34 2hw0 s MET 105 Ca -0.01 1.07 -0.02 0.00 0.00 0.00 0.00 55.69 56.73 2hw0 s MET 105 Cb 0.08 0.32 0.08 0.00 0.00 0.00 0.00 34.83 35.31 2hw0 s MET 105 CO 0.79 -0.12 0.07 -2.00 0.00 0.00 0.00 175.02 173.76 2hw0 s GLU 106 N 0.79 0.64 0.35 4.11 -6.30 -1.26 -1.41 118.70 115.61 2hw0 s GLU 106 Ca -0.03 -0.67 -0.09 0.00 -2.50 0.00 0.00 54.97 51.68 2hw0 s GLU 106 Cb -0.05 -1.97 0.02 0.00 0.00 0.00 0.00 34.13 32.13 2hw0 s GLU 106 CO -0.06 -0.80 0.60 0.00 0.02 0.00 0.00 175.26 175.02 2hw0 n GLY 108 N -0.53 -3.35 3.69 0.00 0.00 -1.26 -2.38 105.19 101.36 2hw0 n GLY 108 Ca -0.03 -1.88 -0.23 0.00 0.00 0.00 0.00 46.02 43.88 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 -1.08 3.26 -0.61 4.61 0.00 0.69 -4.87 121.76 123.76 2hw0 s ALA 109 Ca 0.00 -1.57 -0.26 0.00 0.00 0.00 0.00 51.96 50.13 2hw0 s ALA 109 Cb 0.00 -0.92 -0.02 0.00 0.00 0.00 0.00 23.12 22.18 2hw0 s ALA 109 CO 0.00 0.29 1.86 -1.25 0.00 0.00 0.00 175.76 176.66 2hw0 s PRO 110 N -3.63 2.63 0.63 0.00 0.04 -1.26 -4.58 135.00 128.82 2hw0 s PRO 110 Ca 0.31 0.61 -0.16 0.00 0.04 0.00 0.00 61.00 61.81 2hw0 s PRO 110 Cb -0.07 -4.39 -0.02 0.00 0.04 0.00 0.00 34.50 30.07 2hw0 s PRO 110 CO 0.21 -2.73 1.10 1.03 0.04 0.00 0.00 177.00 176.65 2hw0 s ARG 111 N 7.04 2.97 -0.20 4.56 1.81 -1.26 -5.06 118.95 128.82 2hw0 s ARG 111 Ca 0.67 1.38 -0.28 0.00 -1.72 0.00 0.00 55.73 55.78 2hw0 s ARG 111 Cb -0.13 -1.97 0.12 0.00 -0.45 0.00 0.00 34.95 32.52 2hw0 s ARG 111 CO 0.21 -1.11 0.99 -1.54 -0.68 0.00 0.00 175.30 173.17 2hw0 s SER 112 N -2.52 -0.42 -0.20 0.23 1.04 -1.26 -4.22 113.70 106.35 2hw0 s SER 112 Ca 0.67 0.60 -0.20 0.00 0.48 0.00 0.00 55.95 57.51 2hw0 s SER 112 Cb -0.20 0.54 -0.17 0.00 0.10 0.00 0.00 66.02 66.29 2hw0 s SER 112 CO 0.39 -0.29 0.15 1.56 0.98 0.00 0.00 173.24 176.03 2hw0 h GLN 113 N 3.21 0.00 0.00 4.02 1.08 -1.97 -3.51 115.11 117.95 2hw0 h GLN 113 Ca -0.23 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 2hw0 h GLN 113 Cb 1.17 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.60 2hw0 h GLN 113 CO 0.24 0.85 0.00 0.41 -0.95 0.00 0.00 178.83 179.38 2hw0 n GLY 114 N 1.46 0.90 2.74 3.46 0.00 -1.26 -4.72 105.19 107.77 2hw0 n GLY 114 Ca -0.29 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.31 2hw0 n GLY 114 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2hw0 n GLN 115 N 0.00 3.63 -0.36 1.61 6.02 -1.26 -5.31 117.38 121.71 2hw0 n GLN 115 Ca 0.00 -4.62 0.00 0.00 -0.01 0.00 0.00 57.00 52.37 2hw0 n GLN 115 Cb 0.00 -2.40 0.00 0.00 1.02 0.00 0.00 30.24 28.86 2hw0 n GLN 115 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59