#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 -0.26 -0.17 3.54 0.15 -1.26 -5.15 113.70 110.56 2hw0 s SER 3 Ca 0.00 0.24 0.01 0.00 0.70 0.00 0.00 55.95 56.89 2hw0 s SER 3 Cb 0.00 1.25 0.02 0.00 -1.71 0.00 0.00 66.02 65.58 2hw0 s SER 3 CO 0.00 -0.05 -0.18 -0.75 1.20 0.00 0.00 173.24 173.46 2hw0 s LYS 4 N 2.63 2.71 -0.34 5.44 2.20 -1.26 -5.10 119.74 126.02 2hw0 s LYS 4 Ca -0.03 -0.72 -0.12 0.00 -0.36 0.00 0.00 55.97 54.73 2hw0 s LYS 4 Cb -0.06 -2.38 -0.01 0.00 -1.51 0.00 0.00 37.83 33.87 2hw0 s LYS 4 CO -0.12 -0.21 0.23 0.15 -0.36 0.00 0.00 175.35 175.03 2hw0 s LYS 5 N 1.35 3.38 -0.24 4.03 1.02 -1.26 -5.04 119.74 122.99 2hw0 s LYS 5 Ca 0.04 -0.72 -0.03 0.00 0.02 0.00 0.00 55.97 55.29 2hw0 s LYS 5 Cb -0.13 -3.77 0.13 0.00 -0.52 0.00 0.00 37.83 33.53 2hw0 s LYS 5 CO -0.12 -0.48 0.36 -0.80 -0.92 0.00 0.00 175.35 173.39 2hw0 s ASN 6 N 1.69 0.39 0.04 2.83 -0.87 -1.26 -5.15 114.94 112.60 2hw0 s ASN 6 Ca 0.05 0.18 0.01 0.00 -1.57 0.00 0.00 52.86 51.54 2hw0 s ASN 6 Cb -0.18 1.01 -0.02 0.00 -0.02 0.00 0.00 41.25 42.04 2hw0 s ASN 6 CO 0.09 -0.30 -0.05 -0.83 -2.57 0.00 0.00 177.10 173.44 2hw0 s GLY 7 N 2.51 0.40 0.34 0.66 0.00 -1.26 -5.17 107.32 104.81 2hw0 s GLY 7 Ca 0.12 -0.73 0.04 0.00 0.00 0.00 0.00 44.72 44.14 2hw0 s GLY 7 CO -0.15 -0.80 0.06 0.50 0.00 0.00 0.00 173.10 172.71 2hw0 s ARG 8 N -1.73 1.72 -0.16 2.90 0.52 -1.26 -5.17 118.95 115.78 2hw0 s ARG 8 Ca -0.11 -1.97 -0.30 0.00 -0.52 0.00 0.00 55.73 52.83 2hw0 s ARG 8 Cb -0.09 -0.92 0.13 0.00 0.52 0.00 0.00 34.95 34.59 2hw0 s ARG 8 CO -0.01 -0.21 1.04 0.45 0.02 0.00 0.00 175.30 176.60 2hw0 s SER 9 N -3.53 -0.31 0.00 0.23 0.15 -1.26 -5.11 113.70 103.87 2hw0 s SER 9 Ca 0.34 0.30 0.00 0.00 0.70 0.00 0.00 55.95 57.29 2hw0 s SER 9 Cb 0.08 0.27 0.00 0.00 -1.71 0.00 0.00 66.02 64.66 2hw0 s SER 9 CO 0.15 -0.32 0.04 0.61 1.20 0.00 0.00 173.24 174.92 2hw0 n GLY 10 N 0.56 -0.18 3.76 9.45 0.00 -1.26 -4.88 105.19 112.64 2hw0 n GLY 10 Ca -0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.86 4.45 0.12 1.61 0.04 -1.26 -5.05 135.00 134.06 2hw0 s PRO 11 Ca 0.00 2.05 0.04 0.00 0.04 0.00 0.00 61.00 63.14 2hw0 s PRO 11 Cb 0.00 -3.13 -0.04 0.00 0.04 0.00 0.00 34.50 31.37 2hw0 s PRO 11 CO 0.00 -0.07 -0.11 1.14 0.04 0.00 0.00 177.00 178.00 2hw0 s GLN 12 N -1.35 0.98 0.49 4.56 -2.07 -1.26 -5.10 119.66 115.91 2hw0 s GLN 12 Ca 0.49 -1.31 -0.21 0.00 -1.82 0.00 0.00 55.36 52.50 2hw0 s GLN 12 Cb -0.37 -0.63 -0.07 0.00 -1.09 0.00 0.00 33.01 30.86 2hw0 s GLN 12 CO 0.46 0.09 1.15 -1.25 -1.32 0.00 0.00 175.29 174.42 2hw0 s PRO 13 N -3.24 3.59 0.34 9.60 0.04 -1.26 -4.89 135.00 139.18 2hw0 s PRO 13 Ca 0.11 1.70 0.06 0.00 0.04 0.00 0.00 61.00 62.91 2hw0 s PRO 13 Cb -0.00 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.27 2hw0 s PRO 13 CO 0.01 -0.68 0.22 -1.01 0.04 0.00 0.00 177.00 175.58 2hw0 s HIS 14 N -1.64 1.72 -0.70 0.56 3.76 -0.45 -4.69 115.29 113.85 2hw0 s HIS 14 Ca 0.67 -1.54 0.16 0.00 -0.15 0.00 0.00 55.06 54.21 2hw0 s HIS 14 Cb -0.27 -0.83 0.66 0.00 1.11 0.00 0.00 32.58 33.26 2hw0 s HIS 14 CO 0.31 -0.69 1.58 0.36 -0.85 0.00 0.00 174.74 175.45 2hw0 n LYS 15 N -0.68 3.76 -3.77 1.40 0.00 -1.26 -2.31 118.16 115.31 2hw0 n LYS 15 Ca 0.03 -2.87 -0.19 0.00 -0.00 0.00 0.00 58.31 55.29 2hw0 n LYS 15 Cb 0.63 -1.91 -0.17 0.00 -0.00 0.00 0.00 35.03 33.58 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 -2.19 0.11 -0.11 -1.58 0.52 -1.26 -0.01 118.95 114.43 2hw0 s ARG 16 Ca 0.47 0.23 -0.08 0.00 -0.52 0.00 0.00 55.73 55.83 2hw0 s ARG 16 Cb 0.33 -0.51 0.04 0.00 0.52 0.00 0.00 34.95 35.33 2hw0 s ARG 16 CO 0.18 -0.25 0.27 -1.58 0.02 0.00 0.00 175.30 173.95 2hw0 s TRP 17 N 1.64 -0.33 0.06 -0.53 0.52 -0.99 -4.08 118.94 115.22 2hw0 s TRP 17 Ca -0.02 0.79 0.05 0.00 0.02 0.00 0.00 56.10 56.95 2hw0 s TRP 17 Cb -0.13 0.10 -0.04 0.00 -1.15 0.00 0.00 33.47 32.25 2hw0 s TRP 17 CO -0.03 -0.19 -0.06 0.14 0.02 0.00 0.00 176.95 176.83 2hw0 s VAL 18 N 0.64 3.64 0.05 4.03 -7.23 0.76 -1.99 120.40 120.30 2hw0 s VAL 18 Ca -0.04 -1.01 0.08 0.00 -1.81 0.00 0.00 61.98 59.20 2hw0 s VAL 18 Cb -0.05 -2.67 -0.03 0.00 0.56 0.00 0.00 36.38 34.19 2hw0 s VAL 18 CO -0.04 0.22 -0.24 0.72 -0.31 0.00 0.00 175.10 175.45 2hw0 s PHE 19 N -1.16 2.08 -0.14 2.82 -0.71 -0.88 -0.34 117.98 119.65 2hw0 s PHE 19 Ca 0.21 -0.39 -0.07 0.00 -1.04 0.00 0.00 56.93 55.64 2hw0 s PHE 19 Cb -0.11 -1.24 0.06 0.00 -1.21 0.00 0.00 43.02 40.52 2hw0 s PHE 19 CO 0.13 0.12 0.32 0.95 -1.34 0.00 0.00 175.22 175.40 2hw0 s THR 20 N -0.82 -0.13 -0.01 -4.49 -4.23 0.91 -2.69 115.64 104.18 2hw0 s THR 20 Ca 0.10 0.15 -0.01 0.00 -1.18 0.00 0.00 61.69 60.75 2hw0 s THR 20 Cb -0.09 -0.50 0.01 0.00 1.34 0.00 0.00 72.50 73.26 2hw0 s THR 20 CO 0.02 0.06 0.03 -0.22 -0.54 0.00 0.00 174.62 173.97 2hw0 s LEU 21 N 1.57 1.67 0.11 4.79 2.96 -0.77 -1.23 118.68 127.77 2hw0 s LEU 21 Ca -0.07 0.05 -0.24 0.00 -0.22 0.00 0.00 54.13 53.64 2hw0 s LEU 21 Cb -0.10 0.05 -0.07 0.00 0.50 0.00 0.00 46.19 46.57 2hw0 s LEU 21 CO -0.10 -0.04 0.74 0.54 -1.32 0.00 0.00 176.35 176.16 2hw0 s ASN 22 N 0.32 7.28 -0.92 3.68 4.22 -1.26 -0.61 114.94 127.65 2hw0 s ASN 22 Ca -0.03 1.51 -0.08 0.00 -2.14 0.00 0.00 52.86 52.13 2hw0 s ASN 22 Cb -0.04 -2.47 -0.01 0.00 1.28 0.00 0.00 41.25 40.02 2hw0 s ASN 22 CO -0.01 0.15 0.71 -3.20 -2.04 0.00 0.00 177.10 172.72 2hw0 n ASN 23 N 2.05 -6.03 -4.77 3.54 2.85 0.90 -4.92 115.26 108.87 2hw0 n ASN 23 Ca -0.05 -0.69 -0.38 0.00 -0.11 0.00 0.00 54.58 53.35 2hw0 n ASN 23 Cb 0.49 -3.56 -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 -4.68 3.90 0.35 1.20 0.04 -1.25 -5.04 135.00 129.53 2hw0 s PRO 24 Ca 0.19 1.83 -0.03 0.00 0.04 0.00 0.00 61.00 63.03 2hw0 s PRO 24 Cb -0.06 -2.55 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 2hw0 s PRO 24 CO 0.83 -0.44 0.60 -1.12 0.04 0.00 0.00 177.00 176.91 2hw0 s SER 25 N -1.22 6.35 0.51 6.66 0.01 -1.26 -4.93 113.70 119.81 2hw0 s SER 25 Ca 0.60 0.65 0.16 0.00 1.31 0.00 0.00 55.95 58.67 2hw0 s SER 25 Cb -0.30 -2.12 1.24 0.00 0.21 0.00 0.00 66.02 65.05 2hw0 s SER 25 CO 0.37 -0.31 2.13 -0.33 0.41 0.00 0.00 173.24 175.51 2hw0 h GLU 26 N 1.00 0.00 -0.00 12.44 5.08 -1.99 -0.38 114.58 130.73 2hw0 h GLU 26 Ca -0.48 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.68 2hw0 h GLU 26 Cb 1.20 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.47 2hw0 h GLU 26 CO 0.63 0.03 -0.78 0.22 -1.00 0.00 0.00 179.01 178.11 2hw0 h ASP 27 N 0.00 0.69 -0.05 1.42 3.58 -1.99 -2.57 116.42 117.51 2hw0 h ASP 27 Ca -0.00 -0.75 -0.01 0.00 0.42 0.00 0.00 57.03 56.69 2hw0 h ASP 27 Cb 0.05 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 40.89 2hw0 h ASP 27 CO 0.00 1.35 0.00 -0.08 -2.88 0.00 0.00 179.24 177.64 2hw0 h GLU 28 N 0.10 0.09 -0.41 0.28 4.81 -1.81 -1.73 114.58 115.90 2hw0 h GLU 28 Ca -0.10 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2hw0 h GLU 28 Cb 1.47 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.82 2hw0 h GLU 28 CO 0.15 0.35 0.23 0.00 -0.73 0.00 0.00 179.01 179.02 2hw0 h ARG 29 N -0.19 0.56 -0.21 1.92 3.08 -1.20 -1.90 114.38 116.44 2hw0 h ARG 29 Ca 0.01 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 2hw0 h ARG 29 Cb 0.31 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 2hw0 h ARG 29 CO 0.00 0.41 -0.46 -0.22 -1.07 0.00 0.00 179.97 178.63 2hw0 h LYS 30 N 0.57 0.55 0.10 0.04 3.64 -1.29 -0.54 116.57 119.63 2hw0 h LYS 30 Ca 0.15 -0.30 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2hw0 h LYS 30 Cb 0.01 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.85 2hw0 h LYS 30 CO -0.03 0.90 -0.05 -0.22 -2.27 0.00 0.00 179.45 177.79 2hw0 h LYS 31 N 0.44 -0.12 -0.25 1.90 3.11 -0.52 0.27 116.57 121.39 2hw0 h LYS 31 Ca 0.03 0.01 -0.13 0.00 -2.81 0.00 0.00 60.65 57.75 2hw0 h LYS 31 Cb 0.98 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 32.23 2hw0 h LYS 31 CO 0.09 0.06 -0.37 0.82 -2.81 0.00 0.00 179.45 177.23 2hw0 h ILE 32 N -0.28 1.29 0.00 2.00 2.04 -1.47 -2.27 117.51 118.81 2hw0 h ILE 32 Ca -0.01 -1.51 -0.01 0.00 1.00 0.00 0.00 64.86 64.32 2hw0 h ILE 32 Cb 0.24 1.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.82 2hw0 h ILE 32 CO 0.02 0.48 -0.05 -0.09 0.00 0.00 0.00 178.15 178.51 2hw0 h ARG 33 N 0.48 0.00 -0.64 2.37 2.43 -0.98 -2.78 114.38 115.26 2hw0 h ARG 33 Ca 0.05 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2hw0 h ARG 33 Cb 0.86 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.41 2hw0 h ARG 33 CO 0.07 0.05 0.00 -0.25 -1.51 0.00 0.00 179.97 178.33 2hw0 n ASP 34 N -3.14 3.83 -4.72 -3.80 9.92 0.93 -4.99 116.55 114.58 2hw0 n ASP 34 Ca 0.02 -2.00 -0.31 0.00 -0.53 0.00 0.00 54.79 51.97 2hw0 n ASP 34 Cb 0.42 -0.42 0.13 0.00 -0.64 0.00 0.00 41.12 40.60 2hw0 n ASP 34 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2hw0 s LEU 35 N -1.13 2.87 -0.08 0.64 1.43 -0.88 -4.93 118.68 116.59 2hw0 s LEU 35 Ca 0.46 1.97 -0.30 0.00 -1.03 0.00 0.00 54.13 55.23 2hw0 s LEU 35 Cb 0.25 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 2hw0 s LEU 35 CO 0.33 -2.59 1.51 -2.16 0.23 0.00 0.00 176.35 173.67 2hw0 s PRO 36 N -4.78 4.21 0.24 1.29 0.04 -1.26 -4.91 135.00 129.83 2hw0 s PRO 36 Ca 0.64 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.72 2hw0 s PRO 36 Cb -0.20 -3.86 0.29 0.00 0.04 0.00 0.00 34.50 30.76 2hw0 s PRO 36 CO 0.57 -0.77 1.60 -0.84 0.04 0.00 0.00 177.00 177.60 2hw0 h ILE 37 N 5.46 1.34 0.00 0.56 3.07 -1.92 -2.71 117.51 123.31 2hw0 h ILE 37 Ca -0.35 -1.77 0.00 0.00 1.55 0.00 0.00 64.86 64.29 2hw0 h ILE 37 Cb 1.16 1.82 0.00 0.00 -0.27 0.00 0.00 36.82 39.52 2hw0 h ILE 37 CO 0.95 0.53 0.00 0.77 -1.05 0.00 0.00 178.15 179.35 2hw0 h SER 38 N 0.26 0.00 1.11 2.16 4.64 -1.99 -2.29 113.55 117.44 2hw0 h SER 38 Ca 0.01 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.16 2hw0 h SER 38 Cb 0.99 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.06 2hw0 h SER 38 CO 0.08 0.00 -0.82 0.25 -0.87 0.00 0.00 176.83 175.48 2hw0 h LEU 39 N 0.00 0.00 -7.73 5.97 6.46 -1.88 -3.43 115.31 114.70 2hw0 h LEU 39 Ca 0.00 0.00 -0.60 0.00 -0.12 0.00 0.00 57.88 57.16 2hw0 h LEU 39 Cb 0.33 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 39.89 2hw0 h LEU 39 CO 0.00 0.82 -0.80 -0.36 -0.62 0.00 0.00 178.44 177.47 2hw0 s PHE 40 N -2.87 2.22 0.52 1.25 0.40 -0.86 -2.68 117.98 115.96 2hw0 s PHE 40 Ca 0.02 -1.46 0.29 0.00 -0.60 0.00 0.00 56.93 55.18 2hw0 s PHE 40 Cb 0.10 -1.55 1.42 0.00 0.51 0.00 0.00 43.02 43.50 2hw0 s PHE 40 CO 0.79 -0.71 1.89 -0.44 0.70 0.00 0.00 175.22 177.45 2hw0 h ASP 41 N 8.01 0.07 -3.37 1.36 3.32 -1.67 -3.38 116.42 120.76 2hw0 h ASP 41 Ca -0.26 0.01 -0.39 0.00 0.02 0.00 0.00 57.03 56.41 2hw0 h ASP 41 Cb 1.10 -0.00 -0.37 0.00 0.22 0.00 0.00 39.33 40.28 2hw0 h ASP 41 CO 0.45 0.02 -0.75 -0.47 -1.72 0.00 0.00 179.24 176.77 2hw0 s TYR 42 N -5.05 0.40 -0.14 4.55 5.04 -1.25 -1.05 117.35 119.86 2hw0 s TYR 42 Ca -0.06 -0.01 -0.02 0.00 -2.44 0.00 0.00 57.07 54.55 2hw0 s TYR 42 Cb 0.22 -0.58 0.04 0.00 0.35 0.00 0.00 41.96 41.99 2hw0 s TYR 42 CO 0.77 -0.22 0.00 0.12 -1.34 0.00 0.00 175.55 174.89 2hw0 s PHE 43 N 1.62 0.99 -0.08 4.97 2.19 -1.01 -0.06 117.98 126.60 2hw0 s PHE 43 Ca -0.01 -0.59 -0.02 0.00 0.33 0.00 0.00 56.93 56.63 2hw0 s PHE 43 Cb -0.13 -0.98 0.04 0.00 -1.31 0.00 0.00 43.02 40.63 2hw0 s PHE 43 CO -0.03 -0.49 0.04 -1.50 1.83 0.00 0.00 175.22 175.07 2hw0 s ILE 44 N 1.87 0.14 0.04 3.12 2.07 -0.42 -0.54 121.20 127.48 2hw0 s ILE 44 Ca 0.02 0.15 0.08 0.00 -1.41 0.00 0.00 60.65 59.48 2hw0 s ILE 44 Cb -0.15 -0.43 -0.02 0.00 0.13 0.00 0.00 42.46 41.99 2hw0 s ILE 44 CO -0.07 0.12 -0.23 -0.69 -1.91 0.00 0.00 174.94 172.17 2hw0 s VAL 45 N 2.06 1.82 0.04 4.00 1.01 -0.65 -0.01 120.40 128.66 2hw0 s VAL 45 Ca 0.04 -1.22 -0.01 0.00 0.00 0.00 0.00 61.98 60.80 2hw0 s VAL 45 Cb -0.13 -1.56 -0.03 0.00 0.00 0.00 0.00 36.38 34.66 2hw0 s VAL 45 CO -0.05 0.30 -0.03 -0.83 0.00 0.00 0.00 175.10 174.48 2hw0 s GLY 46 N -1.10 0.42 -0.13 4.51 0.00 -0.67 -0.42 107.32 109.93 2hw0 s GLY 46 Ca 0.09 -1.04 -0.11 0.00 0.00 0.00 0.00 44.72 43.66 2hw0 s GLY 46 CO 0.01 -1.14 0.23 1.85 0.00 0.00 0.00 173.10 174.06 2hw0 s GLU 47 N -3.20 3.94 -0.20 2.90 2.12 -1.19 -2.33 118.70 120.74 2hw0 s GLU 47 Ca 0.01 0.01 -0.09 0.00 0.36 0.00 0.00 54.97 55.25 2hw0 s GLU 47 Cb 0.03 -3.32 -0.05 0.00 0.26 0.00 0.00 34.13 31.05 2hw0 s GLU 47 CO -0.07 0.48 0.12 -2.00 -0.54 0.00 0.00 175.26 173.25 2hw0 s GLU 48 N -0.24 4.12 -0.49 4.30 2.12 0.93 -4.68 118.70 124.75 2hw0 s GLU 48 Ca 0.15 -0.26 0.06 0.00 0.36 0.00 0.00 54.97 55.29 2hw0 s GLU 48 Cb -0.13 -3.39 0.18 0.00 0.26 0.00 0.00 34.13 31.06 2hw0 s GLU 48 CO 0.04 0.25 0.64 0.20 -0.54 0.00 0.00 175.26 175.85 2hw0 s GLY 49 N 0.47 -0.75 0.00 -1.50 0.00 -1.26 -1.68 107.32 102.61 2hw0 s GLY 49 Ca 0.07 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 43.99 2hw0 s GLY 49 CO -0.01 3.34 0.00 -2.01 0.00 0.00 0.00 173.10 174.42 2hw0 n ASN 50 N 3.04 -1.89 -4.27 1.64 2.85 -1.26 -4.94 115.26 110.43 2hw0 n ASN 50 Ca 0.20 -0.02 -0.33 0.00 -0.11 0.00 0.00 54.58 54.32 2hw0 n ASN 50 Cb 0.54 0.00 0.17 0.00 1.24 0.00 0.00 39.78 41.73 2hw0 n ASN 50 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2hw0 n GLU 51 N -1.90 -1.50 -1.34 1.20 1.02 -1.26 -4.72 120.64 112.12 2hw0 n GLU 51 Ca 0.00 -0.42 -0.37 0.00 -0.02 0.00 0.00 57.16 56.35 2hw0 n GLU 51 Cb 0.00 -1.68 0.06 0.00 -0.02 0.00 0.00 31.44 29.81 2hw0 n GLU 51 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2hw0 n GLU 52 N -1.89 0.42 0.00 3.49 2.13 -1.26 -2.55 120.64 120.98 2hw0 n GLU 52 Ca 0.01 0.18 0.00 0.00 0.66 0.00 0.00 57.16 58.01 2hw0 n GLU 52 Cb 0.63 -1.89 0.00 0.00 0.27 0.00 0.00 31.44 30.45 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 1.57 3.23 3.80 8.31 0.00 -1.26 -5.03 105.19 115.81 2hw0 n GLY 53 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.53 4.15 0.59 1.61 6.06 -1.06 -5.08 118.95 124.70 2hw0 s ARG 54 Ca 0.00 0.58 -0.11 0.00 -2.50 0.00 0.00 55.73 53.70 2hw0 s ARG 54 Cb 0.00 -3.28 -0.05 0.00 0.06 0.00 0.00 34.95 31.68 2hw0 s ARG 54 CO 0.00 0.53 0.99 0.95 -2.50 0.00 0.00 175.30 175.27 2hw0 s THR 55 N -0.66 4.71 0.24 4.11 -4.23 -1.26 -4.77 115.64 113.78 2hw0 s THR 55 Ca 0.27 0.84 -0.30 0.00 -1.18 0.00 0.00 61.69 61.33 2hw0 s THR 55 Cb -0.18 -3.85 -0.09 0.00 1.34 0.00 0.00 72.50 69.72 2hw0 s THR 55 CO 0.15 -1.04 1.27 -2.16 -0.54 0.00 0.00 174.62 172.30 2hw0 s PRO 56 N -4.96 4.42 0.01 3.99 0.04 -1.26 -4.75 135.00 132.49 2hw0 s PRO 56 Ca 0.55 2.05 0.03 0.00 0.04 0.00 0.00 61.00 63.67 2hw0 s PRO 56 Cb -0.11 -3.16 -0.01 0.00 0.04 0.00 0.00 34.50 31.26 2hw0 s PRO 56 CO 0.50 -0.16 -0.10 -1.58 0.04 0.00 0.00 177.00 175.70 2hw0 s HIS 57 N -0.41 0.85 -0.24 0.56 2.46 -0.67 -0.07 115.29 117.76 2hw0 s HIS 57 Ca 0.53 -0.23 -0.16 0.00 0.47 0.00 0.00 55.06 55.66 2hw0 s HIS 57 Cb -0.36 -0.53 -0.03 0.00 -0.13 0.00 0.00 32.58 31.52 2hw0 s HIS 57 CO 0.42 -0.01 0.44 -1.17 -2.47 0.00 0.00 174.74 171.95 2hw0 s LEU 58 N -0.55 4.09 -0.15 8.88 0.20 0.22 -0.05 118.68 131.32 2hw0 s LEU 58 Ca 0.01 0.46 -0.03 0.00 0.69 0.00 0.00 54.13 55.27 2hw0 s LEU 58 Cb -0.05 -2.55 0.05 0.00 -0.43 0.00 0.00 46.19 43.21 2hw0 s LEU 58 CO 0.00 -0.19 0.04 -1.58 -0.29 0.00 0.00 176.35 174.34 2hw0 s GLN 59 N 1.89 0.43 0.20 1.98 2.00 -0.98 -1.85 119.66 123.33 2hw0 s GLN 59 Ca 0.19 -0.15 -0.12 0.00 -2.00 0.00 0.00 55.36 53.28 2hw0 s GLN 59 Cb -0.15 -1.66 -0.00 0.00 0.80 0.00 0.00 33.01 31.99 2hw0 s GLN 59 CO 0.09 -0.55 0.40 0.20 -0.50 0.00 0.00 175.29 174.93 2hw0 s GLY 60 N 1.98 0.46 -0.01 2.59 0.00 -1.09 -1.67 107.32 109.57 2hw0 s GLY 60 Ca 0.02 -0.81 0.04 0.00 0.00 0.00 0.00 44.72 43.96 2hw0 s GLY 60 CO -0.07 -0.68 -0.13 -0.12 0.00 0.00 0.00 173.10 172.10 2hw0 s PHE 61 N -3.98 1.14 -0.05 1.90 5.36 0.98 -2.08 117.98 121.26 2hw0 s PHE 61 Ca 0.19 -0.23 0.00 0.00 -0.96 0.00 0.00 56.93 55.94 2hw0 s PHE 61 Cb 0.01 -0.73 0.02 0.00 -0.34 0.00 0.00 43.02 41.99 2hw0 s PHE 61 CO 0.04 -0.02 -0.02 0.00 -1.46 0.00 0.00 175.22 173.77 2hw0 s ALA 62 N -0.35 0.55 -0.33 11.12 0.00 -0.84 -1.30 121.76 130.61 2hw0 s ALA 62 Ca 0.05 0.01 -0.18 0.00 0.00 0.00 0.00 51.96 51.83 2hw0 s ALA 62 Cb -0.05 -0.47 -0.01 0.00 0.00 0.00 0.00 23.12 22.59 2hw0 s ALA 62 CO -0.00 -0.15 0.53 1.21 0.00 0.00 0.00 175.76 177.35 2hw0 s ASN 63 N 1.22 6.36 0.08 0.00 3.84 0.91 -2.35 114.94 125.00 2hw0 s ASN 63 Ca -0.07 0.11 -0.31 0.00 0.21 0.00 0.00 52.86 52.81 2hw0 s ASN 63 Cb -0.14 -2.28 -0.07 0.00 -0.55 0.00 0.00 41.25 38.22 2hw0 s ASN 63 CO -0.02 -0.46 1.35 -0.36 -2.79 0.00 0.00 177.10 174.83 2hw0 s PHE 64 N 2.43 3.19 0.58 0.43 0.08 0.98 -2.56 117.98 123.11 2hw0 s PHE 64 Ca 0.20 0.99 0.31 0.00 0.12 0.00 0.00 56.93 58.56 2hw0 s PHE 64 Cb -0.15 -3.62 1.86 0.00 -0.57 0.00 0.00 43.02 40.54 2hw0 s PHE 64 CO 0.13 -2.17 2.25 0.28 -0.10 0.00 0.00 175.22 175.61 2hw0 h VAL 65 N 4.47 0.47 -4.11 -0.44 2.07 -1.78 -3.42 116.25 113.51 2hw0 h VAL 65 Ca -0.41 -0.05 -0.29 0.00 0.82 0.00 0.00 66.70 66.77 2hw0 h VAL 65 Cb 1.20 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 31.94 2hw0 h VAL 65 CO 0.86 0.01 -0.23 2.29 0.02 0.00 0.00 177.57 180.52 2hw0 n LYS 66 N -3.74 0.97 -3.10 1.57 0.00 -1.26 -5.00 118.16 107.60 2hw0 n LYS 66 Ca -0.03 -1.73 -0.40 0.00 -0.00 0.00 0.00 58.31 56.15 2hw0 n LYS 66 Cb 0.09 0.78 -0.06 0.00 -0.00 0.00 0.00 35.03 35.84 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 -2.81 4.19 0.07 -1.58 3.01 -1.26 -4.20 119.74 117.16 2hw0 s LYS 67 Ca 0.07 0.63 0.02 0.00 -1.01 0.00 0.00 55.97 55.68 2hw0 s LYS 67 Cb 0.00 -3.60 -0.03 0.00 -1.01 0.00 0.00 37.83 33.19 2hw0 s LYS 67 CO 0.05 -0.30 -0.08 -0.65 0.51 0.00 0.00 175.35 174.87 2hw0 s GLN 68 N 2.12 0.70 0.57 1.68 -1.52 -0.98 -4.87 119.66 117.37 2hw0 s GLN 68 Ca 0.29 -1.04 0.02 0.00 -1.95 0.00 0.00 55.36 52.68 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 -2.32 2.57 0.06 -0.19 -4.23 -1.26 -1.35 115.64 108.92 2hw0 s THR 69 Ca 0.01 -0.69 -0.28 0.00 -1.18 0.00 0.00 61.69 59.55 2hw0 s THR 69 Cb -0.04 -2.89 -0.17 0.00 1.34 0.00 0.00 72.50 70.74 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 0.01 -0.42 -0.76 3.99 3.57 -1.98 0.30 116.94 121.64 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 0.28 -0.20 0.45 -0.97 -2.23 0.00 0.00 178.31 175.64 2hw0 h ASN 71 N -0.54 0.93 -0.03 0.41 -0.73 -2.00 -2.54 115.58 111.07 2hw0 h ASN 71 Ca -0.05 -0.07 -0.00 0.00 1.87 0.00 0.00 56.30 58.05 2hw0 h ASN 71 Cb 0.40 -0.23 -0.00 0.00 0.27 0.00 0.00 38.32 38.76 2hw0 h ASN 71 CO 0.08 0.73 0.01 0.50 -0.37 0.00 0.00 177.43 178.37 2hw0 h LYS 72 N 1.05 0.05 -0.31 6.67 3.11 -1.92 -2.63 116.57 122.59 2hw0 h LYS 72 Ca 0.27 -0.01 0.09 0.00 -2.81 0.00 0.00 60.65 58.19 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 0.29 0.36 0.28 -2.81 0.00 0.00 179.45 177.52 2hw0 h VAL 73 N -0.19 0.38 0.00 2.00 2.07 -0.22 0.30 116.25 120.60 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 -3.69 0.08 0.29 1.57 5.02 -0.97 -1.72 118.16 118.73 2hw0 n LYS 74 Ca 0.05 0.46 0.18 0.00 -2.02 0.00 0.00 58.31 56.98 2hw0 n LYS 74 Cb 0.51 -1.71 0.78 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 -0.51 0.10 115.95 122.75 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 0.14 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.28 2hw0 h TRP 75 CO 0.00 0.00 -1.47 0.66 -1.28 0.00 0.00 178.44 176.36 2hw0 n TYR 76 N -3.10 0.00 0.58 0.12 4.01 -0.70 -4.62 117.16 113.45 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 0.26 -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 -3.45 0.34 -0.95 7.72 4.77 -0.97 -4.96 117.00 119.51 2hw0 n LEU 77 Ca -0.18 0.56 0.07 0.00 -0.03 0.00 0.00 56.01 56.44 2hw0 n LEU 77 Cb 0.61 -0.49 -0.04 0.00 -2.33 0.00 0.00 43.42 41.16 2hw0 n LEU 77 CO 0.01 -0.29 -0.38 0.61 -1.33 0.00 0.00 177.39 176.01 2hw0 n GLY 78 N 0.48 -3.30 0.14 -0.72 0.00 0.35 -4.08 105.19 98.07 2hw0 n GLY 78 Ca 0.04 -1.13 0.01 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.57 0.83 -0.80 4.61 0.00 -1.96 -3.22 119.26 118.16 2hw0 h ALA 79 Ca -0.09 -0.53 0.12 0.00 0.00 0.00 0.00 54.91 54.41 2hw0 h ALA 79 Cb 0.80 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 2hw0 h ALA 79 CO 0.03 0.73 0.42 0.00 0.00 0.00 0.00 179.25 180.43 2hw0 h ARG 80 N 0.00 0.64 -5.98 0.00 3.08 -1.95 -3.40 114.38 106.77 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 1.18 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 31.03 2hw0 h ARG 80 CO 0.08 0.42 -0.09 0.00 -1.07 0.00 0.00 179.97 179.30 2hw0 s HIS 82 N -0.26 3.43 -0.04 0.00 2.46 -0.37 -4.81 115.29 115.70 2hw0 s HIS 82 Ca 0.28 1.31 0.03 0.00 0.47 0.00 0.00 55.06 57.15 2hw0 s HIS 82 Cb -0.17 -3.44 -0.03 0.00 -0.13 0.00 0.00 32.58 28.81 2hw0 s HIS 82 CO 0.15 -1.32 -0.10 0.42 -2.47 0.00 0.00 174.74 171.41 2hw0 s ILE 83 N 0.74 3.41 0.14 0.89 1.01 -1.26 -0.06 121.20 126.06 2hw0 s ILE 83 Ca 0.57 -0.69 -0.05 0.00 0.00 0.00 0.00 60.65 60.49 2hw0 s ILE 83 Cb -0.31 -2.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.74 2hw0 s ILE 83 CO 0.31 0.53 0.15 -0.70 0.00 0.00 0.00 174.94 175.23 2hw0 s GLU 84 N -0.98 0.99 0.02 2.79 2.12 0.54 -4.98 118.70 119.19 2hw0 s GLU 84 Ca 0.13 -1.29 -0.26 0.00 0.36 0.00 0.00 54.97 53.92 2hw0 s GLU 84 Cb -0.11 0.30 -0.05 0.00 0.26 0.00 0.00 34.13 34.53 2hw0 s GLU 84 CO 0.03 -0.31 0.80 0.15 -0.54 0.00 0.00 175.26 175.38 2hw0 s LYS 85 N -3.99 4.51 0.40 4.30 1.02 -1.26 -0.17 119.74 124.54 2hw0 s LYS 85 Ca 0.19 1.10 -0.05 0.00 0.02 0.00 0.00 55.97 57.23 2hw0 s LYS 85 Cb 0.06 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.92 2hw0 s LYS 85 CO -0.01 0.18 0.69 0.00 -0.92 0.00 0.00 175.35 175.29 2hw0 s ALA 86 N 0.31 3.50 0.06 5.17 0.00 -1.26 -4.85 121.76 124.69 2hw0 s ALA 86 Ca 0.41 -0.55 -0.08 0.00 0.00 0.00 0.00 51.96 51.74 2hw0 s ALA 86 Cb -0.20 -2.45 -0.00 0.00 0.00 0.00 0.00 23.12 20.47 2hw0 s ALA 86 CO 0.23 -0.10 0.16 -1.59 0.00 0.00 0.00 175.76 174.46 2hw0 s LYS 87 N -4.26 0.72 0.00 0.00 -2.85 -1.26 -4.96 119.74 107.12 2hw0 s LYS 87 Ca 0.46 -0.79 0.00 0.00 -1.00 0.00 0.00 55.97 54.63 2hw0 s LYS 87 Cb -0.10 0.29 0.00 0.00 -2.06 0.00 0.00 37.83 35.96 2hw0 s LYS 87 CO 0.38 -0.21 0.00 0.41 0.10 0.00 0.00 175.35 176.03 2hw0 n GLY 88 N 0.42 -1.26 4.00 0.59 0.00 -1.26 -4.73 105.19 102.95 2hw0 n GLY 88 Ca -0.17 -2.11 -0.20 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 2.47 0.28 2.61 -4.23 -1.26 -4.88 115.64 110.63 2hw0 s THR 89 Ca 0.00 -0.81 0.01 0.00 -1.18 0.00 0.00 61.69 59.71 2hw0 s THR 89 Cb 0.00 -2.66 0.28 0.00 1.34 0.00 0.00 72.50 71.46 2hw0 s THR 89 CO 0.00 0.00 1.84 -2.24 -0.54 0.00 0.00 174.62 173.68 2hw0 h ASP 90 N 0.08 0.94 -0.15 3.99 3.04 -1.80 -0.51 116.42 122.01 2hw0 h ASP 90 Ca -0.37 0.04 -0.11 0.00 -3.24 0.00 0.00 57.03 53.36 2hw0 h ASP 90 Cb 1.28 -0.15 -0.01 0.00 -1.04 0.00 0.00 39.33 39.41 2hw0 h ASP 90 CO 0.45 0.51 -0.25 -0.61 -2.04 0.00 0.00 179.24 177.29 2hw0 h GLN 91 N 1.01 0.61 -0.59 4.15 5.75 -1.93 -0.10 115.11 124.02 2hw0 h GLN 91 Ca 0.49 -0.24 -0.06 0.00 -0.15 0.00 0.00 58.65 58.69 2hw0 h GLN 91 Cb 0.46 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.95 2hw0 h GLN 91 CO -0.26 0.81 0.13 1.96 -2.65 0.00 0.00 178.83 178.82 2hw0 h GLN 92 N 0.53 0.92 0.09 1.69 4.20 -1.49 0.85 115.11 121.90 2hw0 h GLN 92 Ca 0.07 -0.20 -0.17 0.00 0.06 0.00 0.00 58.65 58.42 2hw0 h GLN 92 Cb 0.72 -0.13 0.02 0.00 0.30 0.00 0.00 27.48 28.39 2hw0 h GLN 92 CO 0.06 0.83 -0.70 -0.91 -0.67 0.00 0.00 178.83 177.43 2hw0 h ASN 93 N 0.88 0.47 -0.79 1.46 -0.26 -1.17 -2.35 115.58 113.81 2hw0 h ASN 93 Ca 0.19 -0.88 -0.02 0.00 -0.56 0.00 0.00 56.30 55.02 2hw0 h ASN 93 Cb 0.33 -0.15 -0.04 0.00 -1.06 0.00 0.00 38.32 37.41 2hw0 h ASN 93 CO 0.00 1.31 0.42 0.50 -1.06 0.00 0.00 177.43 178.60 2hw0 h LYS 94 N -0.30 1.12 -0.17 0.81 3.64 -0.94 -2.54 116.57 118.19 2hw0 h LYS 94 Ca -0.11 -0.14 -0.16 0.00 -1.27 0.00 0.00 60.65 58.97 2hw0 h LYS 94 Cb 1.49 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 33.09 2hw0 h LYS 94 CO 0.13 0.84 -0.54 0.93 -2.27 0.00 0.00 179.45 178.54 2hw0 h GLU 95 N 1.10 0.50 0.28 1.90 4.39 -0.93 -2.46 114.58 119.37 2hw0 h GLU 95 Ca 0.28 -0.31 0.00 0.00 0.34 0.00 0.00 59.36 59.67 2hw0 h GLU 95 Cb 0.06 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 2hw0 h GLU 95 CO -0.04 0.92 -0.29 -0.92 -1.16 0.00 0.00 179.01 177.51 2hw0 h TYR 96 N 0.39 -0.78 -0.36 4.33 3.20 -1.02 0.26 116.97 122.99 2hw0 h TYR 96 Ca 0.01 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.83 2hw0 h TYR 96 Cb 1.07 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.63 2hw0 h TYR 96 CO 0.04 -0.42 -0.01 0.00 -1.64 0.00 0.00 178.16 176.13 2hw0 n SER 98 N -4.26 0.40 0.17 0.00 2.88 -0.93 -3.21 113.62 108.67 2hw0 n SER 98 Ca 0.02 0.56 0.18 0.00 -1.33 0.00 0.00 58.87 58.30 2hw0 n SER 98 Cb 0.26 -0.66 0.80 0.00 -0.75 0.00 0.00 64.21 63.86 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 0.54 0.28 116.57 119.57 2hw0 h LYS 99 Ca 0.00 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2hw0 h LYS 99 Cb 0.48 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.29 2hw0 h LYS 99 CO 0.00 0.00 -0.39 0.93 -2.27 0.00 0.00 179.45 177.72 2hw0 h GLU 100 N 0.00 0.00 0.00 1.90 3.07 -1.73 -3.47 114.58 114.35 2hw0 h GLU 100 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 2hw0 h GLU 100 Cb 0.68 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.59 2hw0 h GLU 100 CO -0.00 0.39 0.00 0.41 -1.40 0.00 0.00 179.01 178.41 2hw0 n GLY 101 N 0.32 0.59 2.95 -3.84 0.00 0.98 -4.91 105.19 101.28 2hw0 n GLY 101 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 2hw0 n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hw0 s ASN 102 N -2.43 0.90 -0.18 1.61 2.20 -1.26 -5.11 114.94 110.67 2hw0 s ASN 102 Ca 0.00 -0.13 -0.05 0.00 -0.94 0.00 0.00 52.86 51.74 2hw0 s ASN 102 Cb 0.00 -0.25 -0.03 0.00 -2.00 0.00 0.00 41.25 38.97 2hw0 s ASN 102 CO 0.00 0.03 -0.01 -0.76 -2.94 0.00 0.00 177.10 173.42 2hw0 s LEU 103 N 0.28 3.30 0.13 3.54 2.01 -1.26 -3.18 118.68 123.49 2hw0 s LEU 103 Ca -0.04 -0.15 0.16 0.00 0.01 0.00 0.00 54.13 54.12 2hw0 s LEU 103 Cb -0.08 -1.82 -0.08 0.00 0.01 0.00 0.00 46.19 44.22 2hw0 s LEU 103 CO 0.00 0.12 1.02 0.25 1.01 0.00 0.00 176.35 178.75 2hw0 h LEU 104 N 7.08 0.00 -7.00 1.79 5.85 -1.04 -3.47 115.31 118.52 2hw0 h LEU 104 Ca -0.34 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 2hw0 h LEU 104 Cb 1.18 0.00 -0.22 0.00 0.37 0.00 0.00 40.66 42.00 2hw0 h LEU 104 CO 0.63 0.56 0.13 -0.32 -0.34 0.00 0.00 178.44 179.10 2hw0 s MET 105 N -2.93 0.76 -0.25 1.25 0.00 -0.92 -4.97 119.30 112.24 2hw0 s MET 105 Ca -0.01 1.03 -0.02 0.00 0.00 0.00 0.00 55.69 56.69 2hw0 s MET 105 Cb 0.08 0.30 0.08 0.00 0.00 0.00 0.00 34.83 35.30 2hw0 s MET 105 CO 0.79 -0.11 0.06 -2.00 0.00 0.00 0.00 175.02 173.76 2hw0 s GLU 106 N 0.78 0.75 0.29 4.11 2.12 -1.26 -1.64 118.70 123.85 2hw0 s GLU 106 Ca -0.03 -0.75 0.05 0.00 0.36 0.00 0.00 54.97 54.59 2hw0 s GLU 106 Cb -0.05 -2.06 -0.03 0.00 0.26 0.00 0.00 34.13 32.25 2hw0 s GLU 106 CO -0.06 -0.80 0.22 0.00 -0.54 0.00 0.00 175.26 174.08 2hw0 n GLY 108 N -0.53 -1.34 3.69 0.00 0.00 -1.26 -2.39 105.19 103.36 2hw0 n GLY 108 Ca 0.05 -1.03 -0.24 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.08 3.26 -1.12 4.61 0.00 -0.21 -4.75 121.76 121.47 2hw0 s ALA 109 Ca 0.00 -1.48 -0.23 0.00 0.00 0.00 0.00 51.96 50.25 2hw0 s ALA 109 Cb 0.00 -0.97 -0.10 0.00 0.00 0.00 0.00 23.12 22.04 2hw0 s ALA 109 CO 0.00 0.36 1.93 -0.35 0.00 0.00 0.00 175.76 177.70 2hw0 n PRO 110 N -0.60 1.57 -4.40 0.00 -0.04 -1.26 -4.37 135.00 125.90 2hw0 n PRO 110 Ca -0.08 -2.37 -0.26 0.00 -0.04 0.00 0.00 63.50 60.75 2hw0 n PRO 110 Cb 0.57 -3.61 -0.12 0.00 -0.04 0.00 0.00 33.50 30.31 2hw0 n PRO 110 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 2hw0 s ARG 111 N 6.26 1.44 -0.27 0.54 1.70 -1.26 -4.72 118.95 122.64 2hw0 s ARG 111 Ca 0.67 -1.47 0.02 0.00 -0.47 0.00 0.00 55.73 54.48 2hw0 s ARG 111 Cb 0.02 -1.74 0.09 0.00 -0.57 0.00 0.00 34.95 32.75 2hw0 s ARG 111 CO 0.14 0.38 1.00 0.45 -1.08 0.00 0.00 175.30 176.19 2hw0 n SER 112 N 0.38 -1.01 -3.62 -2.89 2.88 -1.26 -4.54 113.62 103.56 2hw0 n SER 112 Ca -0.14 -1.62 -0.14 0.00 -1.33 0.00 0.00 58.87 55.64 2hw0 n SER 112 Cb 0.56 0.81 -0.07 0.00 -0.75 0.00 0.00 64.21 64.76 2hw0 n SER 112 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2hw0 s GLN 113 N 0.04 0.86 -0.15 -1.46 0.74 -1.26 -4.45 119.66 113.99 2hw0 s GLN 113 Ca 0.04 0.92 0.06 0.00 0.05 0.00 0.00 55.36 56.43 2hw0 s GLN 113 Cb 0.09 0.42 0.18 0.00 1.10 0.00 0.00 33.01 34.80 2hw0 s GLN 113 CO -0.02 -0.12 1.18 0.41 -0.55 0.00 0.00 175.29 176.18 2hw0 n GLY 114 N 2.52 1.08 1.66 2.59 0.00 -1.26 -5.14 105.19 106.64 2hw0 n GLY 114 Ca -0.14 -0.07 -0.09 0.00 0.00 0.00 0.00 46.02 45.71 2hw0 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hw0 n GLN 115 N -0.67 0.93 0.00 1.61 10.64 -1.26 -5.21 117.38 123.42 2hw0 n GLN 115 Ca -0.22 -1.39 0.15 0.00 -1.83 0.00 0.00 57.00 53.71 2hw0 n GLN 115 Cb 0.75 -0.02 0.65 0.00 -0.86 0.00 0.00 30.24 30.77 2hw0 n GLN 115 CO 0.00 0.00 0.00 2.89 -1.83 0.00 0.00 177.06 178.12