#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 -0.52 0.06 3.54 0.01 -1.26 -5.09 113.70 110.44 2hw0 s SER 3 Ca 0.00 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.23 2hw0 s SER 3 Cb 0.00 0.57 0.00 0.00 0.21 0.00 0.00 66.02 66.80 2hw0 s SER 3 CO 0.00 -0.92 0.00 0.29 0.41 0.00 0.00 173.24 173.02 2hw0 n LYS 4 N -0.36 0.00 -2.83 12.44 4.01 -1.26 -5.03 118.16 125.13 2hw0 n LYS 4 Ca -0.15 0.00 -0.19 0.00 -0.51 0.00 0.00 58.31 57.46 2hw0 n LYS 4 Cb 0.64 -0.18 0.00 0.00 -0.51 0.00 0.00 35.03 34.99 2hw0 n LYS 4 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2hw0 n LYS 5 N -2.88 -3.16 -4.05 1.97 5.02 -1.26 -4.96 118.16 108.84 2hw0 n LYS 5 Ca 0.00 0.71 -0.22 0.00 -2.02 0.00 0.00 58.31 56.79 2hw0 n LYS 5 Cb 0.13 -5.42 -0.04 0.00 -0.02 0.00 0.00 35.03 29.68 2hw0 n LYS 5 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2hw0 s ASN 6 N -2.39 5.47 0.15 4.39 0.01 -1.26 -5.13 114.94 116.18 2hw0 s ASN 6 Ca 0.19 -0.30 0.02 0.00 -0.71 0.00 0.00 52.86 52.05 2hw0 s ASN 6 Cb -0.09 -1.32 -0.01 0.00 0.41 0.00 0.00 41.25 40.25 2hw0 s ASN 6 CO 0.23 -0.10 0.16 0.61 -1.51 0.00 0.00 177.10 176.49 2hw0 n GLY 7 N -1.22 3.22 3.84 0.66 0.00 -1.26 -5.18 105.19 105.25 2hw0 n GLY 7 Ca -0.07 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 43.98 2hw0 n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2hw0 s ARG 8 N -2.53 2.23 -0.39 1.61 3.00 -1.26 -5.13 118.95 116.48 2hw0 s ARG 8 Ca 0.16 -2.26 0.02 0.00 0.00 0.00 0.00 55.73 53.66 2hw0 s ARG 8 Cb 0.00 -1.78 0.18 0.00 0.00 0.00 0.00 34.95 33.36 2hw0 s ARG 8 CO 0.12 -0.52 0.78 -1.54 0.00 0.00 0.00 175.30 174.14 2hw0 s SER 9 N -4.09 -1.13 0.00 0.23 1.04 -1.26 -5.15 113.70 103.35 2hw0 s SER 9 Ca 0.16 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.91 2hw0 s SER 9 Cb -0.01 1.44 0.00 0.00 0.10 0.00 0.00 66.02 67.56 2hw0 s SER 9 CO 0.10 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.82 2hw0 n GLY 10 N 3.97 0.53 3.77 7.32 0.00 -1.26 -5.08 105.19 114.44 2hw0 n GLY 10 Ca 0.10 -2.17 -0.37 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.67 3.76 0.26 1.61 0.04 -1.26 -5.05 135.00 133.69 2hw0 s PRO 11 Ca 0.00 1.77 0.07 0.00 0.04 0.00 0.00 61.00 62.88 2hw0 s PRO 11 Cb 0.00 -2.40 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 2hw0 s PRO 11 CO 0.00 -0.55 0.21 -0.65 0.04 0.00 0.00 177.00 176.05 2hw0 s GLN 12 N -2.70 2.92 0.51 4.56 -0.21 -1.26 -5.03 119.66 118.45 2hw0 s GLN 12 Ca 0.64 -1.07 -0.21 0.00 0.02 0.00 0.00 55.36 54.73 2hw0 s GLN 12 Cb -0.28 -2.56 -0.07 0.00 1.00 0.00 0.00 33.01 31.10 2hw0 s GLN 12 CO 0.34 0.37 1.14 -1.25 -2.12 0.00 0.00 175.29 173.78 2hw0 s PRO 13 N -3.86 3.54 0.36 2.91 0.04 -1.26 -4.93 135.00 131.80 2hw0 s PRO 13 Ca 0.34 1.68 0.05 0.00 0.04 0.00 0.00 61.00 63.11 2hw0 s PRO 13 Cb -0.08 -2.18 -0.03 0.00 0.04 0.00 0.00 34.50 32.25 2hw0 s PRO 13 CO 0.25 -0.71 0.20 -1.01 0.04 0.00 0.00 177.00 175.77 2hw0 s HIS 14 N -1.67 1.74 -0.74 0.56 3.76 -0.47 -4.68 115.29 113.78 2hw0 s HIS 14 Ca 0.69 -1.47 0.16 0.00 -0.15 0.00 0.00 55.06 54.29 2hw0 s HIS 14 Cb -0.26 -0.92 0.64 0.00 1.11 0.00 0.00 32.58 33.15 2hw0 s HIS 14 CO 0.30 -0.59 1.55 0.36 -0.85 0.00 0.00 174.74 175.52 2hw0 n LYS 15 N -0.74 3.62 -3.85 1.40 0.00 -1.26 -1.96 118.16 115.37 2hw0 n LYS 15 Ca 0.01 -2.81 -0.21 0.00 -0.00 0.00 0.00 58.31 55.30 2hw0 n LYS 15 Cb 0.64 -1.86 -0.17 0.00 -0.00 0.00 0.00 35.03 33.64 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 -2.10 0.47 -0.12 -1.58 0.52 -1.26 0.00 118.95 114.88 2hw0 s ARG 16 Ca 0.46 0.10 -0.09 0.00 -0.52 0.00 0.00 55.73 55.69 2hw0 s ARG 16 Cb 0.32 -0.77 0.04 0.00 0.52 0.00 0.00 34.95 35.06 2hw0 s ARG 16 CO 0.18 -0.23 0.30 -1.58 0.02 0.00 0.00 175.30 173.99 2hw0 s TRP 17 N 1.60 -0.37 0.27 -0.53 0.52 -0.98 -4.19 118.94 115.27 2hw0 s TRP 17 Ca -0.01 0.86 0.08 0.00 0.02 0.00 0.00 56.10 57.05 2hw0 s TRP 17 Cb -0.13 0.11 -0.04 0.00 -1.15 0.00 0.00 33.47 32.27 2hw0 s TRP 17 CO -0.03 -0.21 0.17 0.14 0.02 0.00 0.00 176.95 177.04 2hw0 s VAL 18 N 0.68 4.02 0.01 4.03 -7.23 0.73 -1.86 120.40 120.79 2hw0 s VAL 18 Ca -0.04 -1.52 0.03 0.00 -1.81 0.00 0.00 61.98 58.64 2hw0 s VAL 18 Cb -0.06 -3.23 -0.01 0.00 0.56 0.00 0.00 36.38 33.64 2hw0 s VAL 18 CO -0.04 -0.32 -0.09 0.72 -0.31 0.00 0.00 175.10 175.06 2hw0 s PHE 19 N -2.22 0.75 -0.16 2.82 -0.71 -0.97 -1.67 117.98 115.82 2hw0 s PHE 19 Ca 0.34 -0.24 -0.08 0.00 -1.04 0.00 0.00 56.93 55.91 2hw0 s PHE 19 Cb -0.07 -0.47 0.06 0.00 -1.21 0.00 0.00 43.02 41.34 2hw0 s PHE 19 CO 0.24 -0.02 0.38 0.95 -1.34 0.00 0.00 175.22 175.44 2hw0 s THR 20 N -0.54 -0.14 -0.02 -4.49 -4.23 0.93 -2.50 115.64 104.66 2hw0 s THR 20 Ca -0.00 0.12 -0.01 0.00 -1.18 0.00 0.00 61.69 60.62 2hw0 s THR 20 Cb -0.05 -0.58 0.01 0.00 1.34 0.00 0.00 72.50 73.22 2hw0 s THR 20 CO 0.00 0.05 0.04 -0.22 -0.54 0.00 0.00 174.62 173.95 2hw0 s LEU 21 N 1.61 1.63 0.04 4.79 2.96 -0.92 -1.33 118.68 127.47 2hw0 s LEU 21 Ca -0.08 0.08 -0.26 0.00 -0.22 0.00 0.00 54.13 53.65 2hw0 s LEU 21 Cb -0.09 0.10 -0.05 0.00 0.50 0.00 0.00 46.19 46.64 2hw0 s LEU 21 CO -0.12 -0.04 0.81 0.54 -1.32 0.00 0.00 176.35 176.22 2hw0 s ASN 22 N 0.31 7.26 -0.88 3.68 2.20 -1.26 -0.87 114.94 125.38 2hw0 s ASN 22 Ca -0.02 1.50 -0.05 0.00 -0.94 0.00 0.00 52.86 53.35 2hw0 s ASN 22 Cb -0.04 -2.49 -0.01 0.00 -2.00 0.00 0.00 41.25 36.72 2hw0 s ASN 22 CO -0.01 -0.03 0.70 -3.20 -2.94 0.00 0.00 177.10 171.62 2hw0 n ASN 23 N 2.98 -6.24 -4.77 3.54 4.05 0.87 -4.92 115.26 110.77 2hw0 n ASN 23 Ca -0.01 -0.61 -0.38 0.00 0.45 0.00 0.00 54.58 54.03 2hw0 n ASN 23 Cb 0.50 -3.71 -0.02 0.00 1.23 0.00 0.00 39.78 37.78 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 -4.38 4.04 0.36 1.20 0.04 -1.26 -5.02 135.00 129.98 2hw0 s PRO 24 Ca 0.14 1.88 -0.03 0.00 0.04 0.00 0.00 61.00 63.03 2hw0 s PRO 24 Cb -0.04 -2.69 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 2hw0 s PRO 24 CO 0.82 -0.34 0.61 -1.12 0.04 0.00 0.00 177.00 177.01 2hw0 s SER 25 N -1.08 6.35 0.52 6.66 0.01 -1.26 -4.91 113.70 119.99 2hw0 s SER 25 Ca 0.57 0.66 0.18 0.00 1.31 0.00 0.00 55.95 58.67 2hw0 s SER 25 Cb -0.32 -2.12 1.30 0.00 0.21 0.00 0.00 66.02 65.09 2hw0 s SER 25 CO 0.40 -0.32 2.12 -0.33 0.41 0.00 0.00 173.24 175.52 2hw0 h GLU 26 N 0.99 0.00 -0.01 12.44 5.08 -1.98 0.11 114.58 131.22 2hw0 h GLU 26 Ca -0.48 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.85 2hw0 h GLU 26 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2hw0 h GLU 26 CO 0.63 0.00 -0.09 -0.44 -1.00 0.00 0.00 179.01 178.11 2hw0 h ASP 27 N 0.00 0.09 -0.16 1.42 3.32 -1.98 -1.96 116.42 117.15 2hw0 h ASP 27 Ca 0.04 -0.74 -0.01 0.00 0.02 0.00 0.00 57.03 56.34 2hw0 h ASP 27 Cb 0.17 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 2hw0 h ASP 27 CO -0.00 0.82 0.05 -0.33 -1.72 0.00 0.00 179.24 178.06 2hw0 h GLU 28 N -0.63 0.25 -0.47 3.56 4.39 -1.85 -0.81 114.58 119.02 2hw0 h GLU 28 Ca -0.01 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.61 2hw0 h GLU 28 Cb 0.83 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.42 2hw0 h GLU 28 CO 0.02 0.36 0.15 -0.09 -1.16 0.00 0.00 179.01 178.29 2hw0 h ARG 29 N 0.09 0.69 -0.22 2.33 2.43 -0.91 -2.34 114.38 116.44 2hw0 h ARG 29 Ca 0.05 -0.11 -0.14 0.00 -0.81 0.00 0.00 59.98 58.97 2hw0 h ARG 29 Cb 0.21 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 2hw0 h ARG 29 CO -0.00 0.60 -0.46 -0.22 -1.51 0.00 0.00 179.97 178.37 2hw0 h LYS 30 N 0.68 0.57 0.20 0.20 3.64 -1.12 -1.47 116.57 119.27 2hw0 h LYS 30 Ca 0.16 -0.32 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 2hw0 h LYS 30 Cb 0.19 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2hw0 h LYS 30 CO -0.01 0.91 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.77 2hw0 h LYS 31 N 0.46 -0.26 -0.66 1.90 3.64 -0.63 0.28 116.57 121.30 2hw0 h LYS 31 Ca 0.03 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.34 2hw0 h LYS 31 Cb 0.98 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.83 2hw0 h LYS 31 CO 0.09 -0.09 0.09 0.82 -2.27 0.00 0.00 179.45 178.09 2hw0 h ILE 32 N -0.37 1.26 0.00 2.00 2.04 -1.48 -1.93 117.51 119.03 2hw0 h ILE 32 Ca -0.03 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 2hw0 h ILE 32 Cb 0.28 0.66 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 2hw0 h ILE 32 CO 0.04 0.40 -0.06 -0.09 0.00 0.00 0.00 178.15 178.44 2hw0 h ARG 33 N 1.03 0.00 -0.62 2.37 2.43 -1.15 -2.45 114.38 115.99 2hw0 h ARG 33 Ca 0.20 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 2hw0 h ARG 33 Cb 0.47 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 2hw0 h ARG 33 CO 0.02 0.06 0.00 -0.25 -1.51 0.00 0.00 179.97 178.29 2hw0 n ASP 34 N -3.18 3.65 -4.73 -3.80 9.92 0.99 -4.98 116.55 114.42 2hw0 n ASP 34 Ca 0.01 -1.99 -0.31 0.00 -0.53 0.00 0.00 54.79 51.97 2hw0 n ASP 34 Cb 0.36 -0.41 0.12 0.00 -0.64 0.00 0.00 41.12 40.55 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 2.89 -0.10 0.64 1.43 -0.78 -4.94 118.68 116.70 2hw0 s LEU 35 Ca 0.45 1.93 -0.29 0.00 -1.03 0.00 0.00 54.13 55.19 2hw0 s LEU 35 Cb 0.24 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 2hw0 s LEU 35 CO 0.32 -2.49 1.52 -2.16 0.23 0.00 0.00 176.35 173.77 2hw0 s PRO 36 N -4.81 4.19 0.23 1.29 0.04 -1.26 -4.91 135.00 129.77 2hw0 s PRO 36 Ca 0.63 2.00 -0.01 0.00 0.04 0.00 0.00 61.00 63.66 2hw0 s PRO 36 Cb -0.19 -3.91 0.24 0.00 0.04 0.00 0.00 34.50 30.68 2hw0 s PRO 36 CO 0.57 -0.81 1.61 -0.84 0.04 0.00 0.00 177.00 177.57 2hw0 h ILE 37 N 5.56 1.29 0.00 0.56 3.07 -1.92 -2.66 117.51 123.42 2hw0 h ILE 37 Ca -0.35 -1.51 -0.00 0.00 1.55 0.00 0.00 64.86 64.55 2hw0 h ILE 37 Cb 1.15 1.51 -0.00 0.00 -0.27 0.00 0.00 36.82 39.21 2hw0 h ILE 37 CO 0.96 0.48 -0.00 -1.28 -1.05 0.00 0.00 178.15 177.26 2hw0 h SER 38 N 0.47 0.00 0.89 2.16 0.87 -1.98 -1.51 113.55 114.44 2hw0 h SER 38 Ca 0.05 0.00 -0.15 0.00 -1.23 0.00 0.00 61.79 60.46 2hw0 h SER 38 Cb 0.86 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.80 2hw0 h SER 38 CO 0.07 0.00 -0.71 0.25 -0.53 0.00 0.00 176.83 175.92 2hw0 h LEU 39 N 0.00 0.00 -7.74 2.23 6.46 -1.87 -3.42 115.31 110.96 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 0.19 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 39.75 2hw0 h LEU 39 CO 0.00 0.71 -0.80 -0.36 -0.62 0.00 0.00 178.44 177.36 2hw0 s PHE 40 N -3.21 2.30 0.54 1.25 0.40 -0.57 -2.52 117.98 116.17 2hw0 s PHE 40 Ca 0.00 -1.53 0.30 0.00 -0.60 0.00 0.00 56.93 55.11 2hw0 s PHE 40 Cb 0.11 -1.58 1.46 0.00 0.51 0.00 0.00 43.02 43.52 2hw0 s PHE 40 CO 0.77 -0.73 1.91 -0.44 0.70 0.00 0.00 175.22 177.44 2hw0 h ASP 41 N 8.00 0.00 -3.40 1.36 3.32 -1.64 -3.38 116.42 120.67 2hw0 h ASP 41 Ca -0.26 0.00 -0.37 0.00 0.02 0.00 0.00 57.03 56.42 2hw0 h ASP 41 Cb 1.10 0.00 -0.36 0.00 0.22 0.00 0.00 39.33 40.28 2hw0 h ASP 41 CO 0.46 0.00 -0.75 -0.47 -1.72 0.00 0.00 179.24 176.76 2hw0 s TYR 42 N -4.95 0.31 -0.13 4.55 5.04 -1.24 -1.35 117.35 119.58 2hw0 s TYR 42 Ca -0.05 0.04 -0.02 0.00 -2.44 0.00 0.00 57.07 54.60 2hw0 s TYR 42 Cb 0.21 -0.51 0.04 0.00 0.35 0.00 0.00 41.96 42.05 2hw0 s TYR 42 CO 0.74 -0.19 -0.01 0.12 -1.34 0.00 0.00 175.55 174.88 2hw0 s PHE 43 N 1.53 1.07 -0.09 4.97 2.19 -1.01 0.00 117.98 126.64 2hw0 s PHE 43 Ca -0.03 -0.63 -0.02 0.00 0.33 0.00 0.00 56.93 56.58 2hw0 s PHE 43 Cb -0.13 -1.02 0.04 0.00 -1.31 0.00 0.00 43.02 40.60 2hw0 s PHE 43 CO -0.03 -0.50 0.03 -1.50 1.83 0.00 0.00 175.22 175.05 2hw0 s ILE 44 N 1.84 0.26 -0.01 3.12 2.07 -0.38 -0.76 121.20 127.33 2hw0 s ILE 44 Ca 0.02 0.06 0.07 0.00 -1.41 0.00 0.00 60.65 59.40 2hw0 s ILE 44 Cb -0.14 -0.53 -0.02 0.00 0.13 0.00 0.00 42.46 41.90 2hw0 s ILE 44 CO -0.07 0.13 -0.23 -0.69 -1.91 0.00 0.00 174.94 172.17 2hw0 s VAL 45 N 2.01 1.81 -0.01 4.00 1.01 -0.27 0.00 120.40 128.95 2hw0 s VAL 45 Ca 0.04 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.01 2hw0 s VAL 45 Cb -0.13 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.74 2hw0 s VAL 45 CO -0.06 0.47 -0.05 -0.83 0.00 0.00 0.00 175.10 174.63 2hw0 s GLY 46 N -0.65 0.28 -0.08 4.51 0.00 -0.89 -0.14 107.32 110.36 2hw0 s GLY 46 Ca 0.09 -0.22 -0.16 0.00 0.00 0.00 0.00 44.72 44.42 2hw0 s GLY 46 CO -0.00 -0.16 0.42 1.85 0.00 0.00 0.00 173.10 175.21 2hw0 s GLU 47 N -0.07 4.16 -0.41 2.90 -6.30 -0.34 -2.30 118.70 116.35 2hw0 s GLU 47 Ca 0.01 0.38 -0.11 0.00 -2.50 0.00 0.00 54.97 52.75 2hw0 s GLU 47 Cb -0.03 -3.35 0.05 0.00 0.00 0.00 0.00 34.13 30.81 2hw0 s GLU 47 CO -0.00 0.38 0.26 -2.00 0.02 0.00 0.00 175.26 173.92 2hw0 s GLU 48 N -0.08 2.76 -0.45 4.30 -6.30 0.27 -4.10 118.70 115.10 2hw0 s GLU 48 Ca 0.23 -1.27 0.07 0.00 -2.50 0.00 0.00 54.97 51.50 2hw0 s GLU 48 Cb -0.15 -3.82 0.26 0.00 0.00 0.00 0.00 34.13 30.42 2hw0 s GLU 48 CO 0.10 -0.86 0.81 0.41 0.02 0.00 0.00 175.26 175.75 2hw0 n GLY 49 N 5.00 1.18 0.97 -1.50 0.00 -1.26 -1.42 105.19 108.17 2hw0 n GLY 49 Ca -0.11 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 1.27 2.21 -3.52 1.61 4.05 -1.26 -4.94 115.26 114.68 2hw0 n ASN 50 Ca 0.13 -3.68 -0.25 0.00 0.45 0.00 0.00 54.58 51.23 2hw0 n ASN 50 Cb 0.62 -0.48 -0.14 0.00 1.23 0.00 0.00 39.78 41.01 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 -3.04 0.19 0.46 1.20 2.56 -1.26 -5.13 118.70 113.68 2hw0 s GLU 51 Ca 0.40 -0.28 -0.24 0.00 0.00 0.00 0.00 54.97 54.85 2hw0 s GLU 51 Cb 0.38 -1.19 -0.07 0.00 2.00 0.00 0.00 34.13 35.24 2hw0 s GLU 51 CO -0.06 -0.91 1.33 -2.00 -0.56 0.00 0.00 175.26 173.06 2hw0 s GLU 52 N 2.19 3.65 0.00 4.30 2.56 -1.26 -2.57 118.70 127.57 2hw0 s GLU 52 Ca 0.08 2.19 0.00 0.00 0.00 0.00 0.00 54.97 57.23 2hw0 s GLU 52 Cb -0.16 -2.55 0.00 0.00 2.00 0.00 0.00 34.13 33.42 2hw0 s GLU 52 CO -0.28 -0.76 0.00 0.41 -0.56 0.00 0.00 175.26 174.07 2hw0 n GLY 53 N 0.63 2.98 3.77 -1.50 0.00 -1.26 -5.02 105.19 104.79 2hw0 n GLY 53 Ca 0.06 0.00 -0.22 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 -0.58 2.56 0.49 1.61 3.52 -1.06 -5.13 118.95 120.37 2hw0 s ARG 54 Ca 0.00 -1.37 -0.07 0.00 -0.13 0.00 0.00 55.73 54.16 2hw0 s ARG 54 Cb 0.00 -2.33 -0.04 0.00 -1.56 0.00 0.00 34.95 31.02 2hw0 s ARG 54 CO 0.00 0.19 0.82 0.95 -0.81 0.00 0.00 175.30 176.45 2hw0 s THR 55 N -2.33 4.86 0.80 4.11 -4.23 -1.26 -4.93 115.64 112.67 2hw0 s THR 55 Ca 0.37 0.38 -0.11 0.00 -1.18 0.00 0.00 61.69 61.15 2hw0 s THR 55 Cb -0.05 -3.84 0.08 0.00 1.34 0.00 0.00 72.50 70.02 2hw0 s THR 55 CO 0.24 -0.84 1.09 -2.16 -0.54 0.00 0.00 174.62 172.41 2hw0 s PRO 56 N -4.66 2.00 -0.00 3.99 0.04 -1.26 -4.78 135.00 130.31 2hw0 s PRO 56 Ca 0.49 1.08 -0.00 0.00 0.04 0.00 0.00 61.00 62.61 2hw0 s PRO 56 Cb -0.10 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.57 2hw0 s PRO 56 CO 0.44 -1.80 0.01 -1.58 0.04 0.00 0.00 177.00 174.11 2hw0 s HIS 57 N -2.91 -0.00 -0.11 0.56 2.46 -0.50 -0.09 115.29 114.69 2hw0 s HIS 57 Ca 0.62 0.03 -0.16 0.00 0.47 0.00 0.00 55.06 56.02 2hw0 s HIS 57 Cb -0.17 -0.02 -0.05 0.00 -0.13 0.00 0.00 32.58 32.21 2hw0 s HIS 57 CO 0.56 -0.01 0.39 -1.17 -2.47 0.00 0.00 174.74 172.04 2hw0 s LEU 58 N 0.11 4.30 -0.23 8.88 0.20 -0.05 -0.57 118.68 131.33 2hw0 s LEU 58 Ca -0.01 0.72 -0.03 0.00 0.69 0.00 0.00 54.13 55.50 2hw0 s LEU 58 Cb -0.01 -2.54 0.12 0.00 -0.43 0.00 0.00 46.19 43.33 2hw0 s LEU 58 CO -0.00 0.11 0.38 -1.58 -0.29 0.00 0.00 176.35 174.96 2hw0 s GLN 59 N 0.21 0.33 0.35 1.98 2.00 -0.97 -2.16 119.66 121.40 2hw0 s GLN 59 Ca 0.22 0.62 -0.07 0.00 -2.00 0.00 0.00 55.36 54.12 2hw0 s GLN 59 Cb -0.15 -0.35 0.02 0.00 0.80 0.00 0.00 33.01 33.34 2hw0 s GLN 59 CO 0.08 -0.57 0.58 0.20 -0.50 0.00 0.00 175.29 175.08 2hw0 s GLY 60 N 2.55 1.07 -0.00 2.59 0.00 -1.04 -2.08 107.32 110.40 2hw0 s GLY 60 Ca 0.10 -1.23 0.02 0.00 0.00 0.00 0.00 44.72 43.61 2hw0 s GLY 60 CO -0.15 -0.75 -0.06 -0.12 0.00 0.00 0.00 173.10 172.01 2hw0 s PHE 61 N -2.88 0.58 -0.06 1.90 5.36 0.10 -2.30 117.98 120.68 2hw0 s PHE 61 Ca 0.25 -0.13 0.00 0.00 -0.96 0.00 0.00 56.93 56.09 2hw0 s PHE 61 Cb -0.02 -0.37 0.02 0.00 -0.34 0.00 0.00 43.02 42.32 2hw0 s PHE 61 CO 0.17 -0.01 -0.02 0.00 -1.46 0.00 0.00 175.22 173.89 2hw0 s ALA 62 N -0.23 0.66 -0.36 11.12 0.00 -0.78 -1.25 121.76 130.92 2hw0 s ALA 62 Ca 0.02 -0.07 -0.20 0.00 0.00 0.00 0.00 51.96 51.71 2hw0 s ALA 62 Cb -0.03 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.54 2hw0 s ALA 62 CO -0.00 -0.21 0.59 1.21 0.00 0.00 0.00 175.76 177.35 2hw0 s ASN 63 N 1.36 6.38 0.11 0.00 3.84 0.10 -2.31 114.94 124.41 2hw0 s ASN 63 Ca -0.04 0.04 -0.31 0.00 0.21 0.00 0.00 52.86 52.76 2hw0 s ASN 63 Cb -0.13 -2.30 -0.07 0.00 -0.55 0.00 0.00 41.25 38.19 2hw0 s ASN 63 CO -0.02 -0.57 1.30 -0.36 -2.79 0.00 0.00 177.10 174.66 2hw0 s PHE 64 N 2.59 3.32 0.58 0.43 0.08 0.10 -2.42 117.98 122.68 2hw0 s PHE 64 Ca 0.22 1.12 0.32 0.00 0.12 0.00 0.00 56.93 58.72 2hw0 s PHE 64 Cb -0.15 -3.57 1.89 0.00 -0.57 0.00 0.00 43.02 40.63 2hw0 s PHE 64 CO 0.15 -1.88 2.26 0.28 -0.10 0.00 0.00 175.22 175.92 2hw0 h VAL 65 N 4.27 0.44 -4.03 -0.44 2.07 -1.77 -3.42 116.25 113.37 2hw0 h VAL 65 Ca -0.42 -0.05 -0.26 0.00 0.82 0.00 0.00 66.70 66.79 2hw0 h VAL 65 Cb 1.21 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.96 2hw0 h VAL 65 CO 0.83 0.01 -0.20 2.29 0.02 0.00 0.00 177.57 180.52 2hw0 n LYS 66 N -3.70 1.03 -3.28 1.57 0.00 -1.26 -4.99 118.16 107.53 2hw0 n LYS 66 Ca -0.03 -1.53 -0.41 0.00 -0.00 0.00 0.00 58.31 56.35 2hw0 n LYS 66 Cb 0.10 0.68 -0.08 0.00 -0.00 0.00 0.00 35.03 35.72 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 -2.71 3.70 0.21 -1.58 1.02 -1.26 -4.09 119.74 115.03 2hw0 s LYS 67 Ca 0.06 -0.12 0.08 0.00 0.02 0.00 0.00 55.97 56.00 2hw0 s LYS 67 Cb 0.00 -3.78 -0.05 0.00 -0.52 0.00 0.00 37.83 33.49 2hw0 s LYS 67 CO 0.04 -0.56 -0.13 -1.14 -0.92 0.00 0.00 175.35 172.64 2hw0 s GLN 68 N 2.30 1.35 0.50 1.68 2.00 -0.83 -4.81 119.66 121.85 2hw0 s GLN 68 Ca 0.18 -1.61 0.05 0.00 -2.00 0.00 0.00 55.36 51.98 2hw0 s GLN 68 Cb -0.16 -1.11 0.03 0.00 0.80 0.00 0.00 33.01 32.57 2hw0 s GLN 68 CO 0.12 0.17 0.69 0.95 -0.50 0.00 0.00 175.29 176.72 2hw0 s THR 69 N -2.98 2.77 0.06 -0.34 -4.23 -1.26 -1.37 115.64 108.28 2hw0 s THR 69 Ca 0.23 -0.85 -0.27 0.00 -1.18 0.00 0.00 61.69 59.62 2hw0 s THR 69 Cb -0.00 -2.92 -0.17 0.00 1.34 0.00 0.00 72.50 70.75 2hw0 s THR 69 CO 0.07 0.00 1.54 0.15 -0.54 0.00 0.00 174.62 175.85 2hw0 h PHE 70 N 0.33 -0.41 -0.78 3.99 3.57 -1.96 0.29 116.94 121.98 2hw0 h PHE 70 Ca -0.40 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.09 2hw0 h PHE 70 Cb 1.29 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 40.12 2hw0 h PHE 70 CO 0.36 -0.18 0.48 -0.91 -2.23 0.00 0.00 178.31 175.83 2hw0 h ASN 71 N -0.55 0.92 -0.06 0.41 4.21 -2.00 -2.53 115.58 115.98 2hw0 h ASN 71 Ca -0.05 -0.05 -0.01 0.00 1.21 0.00 0.00 56.30 57.40 2hw0 h ASN 71 Cb 0.41 -0.23 -0.00 0.00 -1.12 0.00 0.00 38.32 37.38 2hw0 h ASN 71 CO 0.07 0.70 0.01 0.50 -1.29 0.00 0.00 177.43 177.42 2hw0 h LYS 72 N 1.06 0.09 -0.31 0.81 3.11 -1.93 -2.63 116.57 116.77 2hw0 h LYS 72 Ca 0.28 -0.03 0.09 0.00 -2.81 0.00 0.00 60.65 58.18 2hw0 h LYS 72 Cb -0.06 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.15 2hw0 h LYS 72 CO -0.05 0.32 0.36 0.28 -2.81 0.00 0.00 179.45 177.55 2hw0 h VAL 73 N -0.15 0.37 0.00 2.00 2.07 -0.22 0.32 116.25 120.64 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 0.28 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 30.75 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 -3.67 0.07 0.28 1.57 5.02 -0.97 -1.72 118.16 118.74 2hw0 n LYS 74 Ca 0.05 0.45 0.18 0.00 -2.02 0.00 0.00 58.31 56.96 2hw0 n LYS 74 Cb 0.51 -1.68 0.72 0.00 -0.02 0.00 0.00 35.03 34.56 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 -0.49 0.65 115.95 123.32 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 0.15 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.28 2hw0 h TRP 75 CO 0.00 0.01 -1.48 0.66 -1.28 0.00 0.00 178.44 176.35 2hw0 n TYR 76 N -3.10 0.00 0.64 0.12 4.01 -0.70 -4.62 117.16 113.51 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 0.29 -0.33 0.45 0.00 -0.31 0.00 0.00 39.34 39.43 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 0.24 -0.72 7.72 4.77 -0.93 -4.94 117.00 119.70 2hw0 n LEU 77 Ca -0.18 0.54 0.08 0.00 -0.03 0.00 0.00 56.01 56.42 2hw0 n LEU 77 Cb 0.61 -0.49 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 2hw0 n LEU 77 CO 0.01 -0.23 -0.32 0.61 -1.33 0.00 0.00 177.39 176.14 2hw0 n GLY 78 N 0.62 -3.03 0.17 -0.72 0.00 0.22 -3.99 105.19 98.46 2hw0 n GLY 78 Ca 0.05 -1.24 -0.14 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.67 0.39 -1.00 4.61 0.00 -1.96 -3.23 119.26 117.39 2hw0 h ALA 79 Ca -0.10 -0.68 0.14 0.00 0.00 0.00 0.00 54.91 54.28 2hw0 h ALA 79 Cb 0.68 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 18.36 2hw0 h ALA 79 CO 0.04 0.78 0.63 0.07 0.00 0.00 0.00 179.25 180.76 2hw0 h ARG 80 N 0.28 0.89 -6.23 0.00 0.11 -1.95 -3.40 114.38 104.08 2hw0 h ARG 80 Ca -0.07 -0.05 -0.55 0.00 0.10 0.00 0.00 59.98 59.40 2hw0 h ARG 80 Cb 1.52 -0.20 -0.04 0.00 1.11 0.00 0.00 29.97 32.36 2hw0 h ARG 80 CO 0.16 0.59 0.27 0.00 0.10 0.00 0.00 179.97 181.09 2hw0 s HIS 82 N 1.04 3.10 -0.05 0.00 2.46 -0.44 -4.81 115.29 116.59 2hw0 s HIS 82 Ca 0.45 1.05 0.02 0.00 0.47 0.00 0.00 55.06 57.06 2hw0 s HIS 82 Cb -0.19 -3.54 -0.03 0.00 -0.13 0.00 0.00 32.58 28.69 2hw0 s HIS 82 CO 0.23 -1.85 -0.10 0.42 -2.47 0.00 0.00 174.74 170.97 2hw0 s ILE 83 N 2.00 3.39 0.15 0.89 1.01 -1.26 -0.05 121.20 127.32 2hw0 s ILE 83 Ca 0.60 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 60.55 2hw0 s ILE 83 Cb -0.29 -2.37 -0.01 0.00 0.01 0.00 0.00 42.46 39.79 2hw0 s ILE 83 CO 0.26 0.57 0.22 -1.61 0.00 0.00 0.00 174.94 174.38 2hw0 s GLU 84 N -0.85 1.06 0.02 2.79 2.02 -0.67 -4.98 118.70 118.10 2hw0 s GLU 84 Ca 0.12 -1.20 -0.26 0.00 0.02 0.00 0.00 54.97 53.65 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 0.02 -0.36 0.82 0.21 0.02 0.00 0.00 175.26 175.96 2hw0 s LYS 85 N -3.97 4.53 0.44 1.61 2.20 -1.26 -0.19 119.74 123.09 2hw0 s LYS 85 Ca 0.17 1.15 -0.06 0.00 -0.36 0.00 0.00 55.97 56.87 2hw0 s LYS 85 Cb 0.04 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.92 2hw0 s LYS 85 CO -0.01 0.17 0.75 0.00 -0.36 0.00 0.00 175.35 175.89 2hw0 s ALA 86 N 0.32 3.42 -0.04 3.13 0.00 -1.26 -4.86 121.76 122.47 2hw0 s ALA 86 Ca 0.42 -0.44 -0.06 0.00 0.00 0.00 0.00 51.96 51.88 2hw0 s ALA 86 Cb -0.20 -2.57 0.01 0.00 0.00 0.00 0.00 23.12 20.35 2hw0 s ALA 86 CO 0.24 -0.19 0.15 -1.59 0.00 0.00 0.00 175.76 174.37 2hw0 s LYS 87 N -4.37 0.28 0.00 0.00 -2.85 -1.26 -4.98 119.74 106.56 2hw0 s LYS 87 Ca 0.48 0.03 0.00 0.00 -1.00 0.00 0.00 55.97 55.48 2hw0 s LYS 87 Cb -0.10 0.12 0.00 0.00 -2.06 0.00 0.00 37.83 35.79 2hw0 s LYS 87 CO 0.39 -0.05 0.00 0.41 0.10 0.00 0.00 175.35 176.20 2hw0 n GLY 88 N 2.52 -0.15 3.97 0.59 0.00 -1.26 -4.76 105.19 106.10 2hw0 n GLY 88 Ca -0.16 -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 -0.42 2.30 0.28 2.61 -4.23 -1.26 -4.87 115.64 110.06 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 -2.77 0.28 0.00 1.34 0.00 0.00 72.50 71.36 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 -0.42 0.94 -0.06 3.99 3.04 -1.86 -0.38 116.42 121.67 2hw0 h ASP 90 Ca -0.40 0.05 -0.13 0.00 -3.24 0.00 0.00 57.03 53.31 2hw0 h ASP 90 Cb 1.28 -0.14 -0.01 0.00 -1.04 0.00 0.00 39.33 39.42 2hw0 h ASP 90 CO 0.46 0.50 -0.37 -0.61 -2.04 0.00 0.00 179.24 177.18 2hw0 h GLN 91 N 1.01 0.57 -0.39 4.15 5.75 -1.94 0.02 115.11 124.29 2hw0 h GLN 91 Ca 0.50 -0.28 -0.10 0.00 -0.15 0.00 0.00 58.65 58.62 2hw0 h GLN 91 Cb 0.48 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.01 2hw0 h GLN 91 CO -0.26 0.85 -0.17 1.96 -2.65 0.00 0.00 178.83 178.56 2hw0 h GLN 92 N 0.48 0.73 0.05 1.69 4.20 -1.49 -0.05 115.11 120.72 2hw0 h GLN 92 Ca 0.05 -0.26 -0.13 0.00 0.06 0.00 0.00 58.65 58.36 2hw0 h GLN 92 Cb 0.86 -0.05 0.01 0.00 0.30 0.00 0.00 27.48 28.61 2hw0 h GLN 92 CO 0.07 0.86 -0.53 -0.91 -0.67 0.00 0.00 178.83 177.65 2hw0 h ASN 93 N 0.65 0.38 -0.55 1.46 -0.26 -1.05 -1.78 115.58 114.43 2hw0 h ASN 93 Ca 0.10 -0.86 -0.01 0.00 -0.56 0.00 0.00 56.30 54.97 2hw0 h ASN 93 Cb 0.65 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.77 2hw0 h ASN 93 CO 0.05 1.20 0.29 0.50 -1.06 0.00 0.00 177.43 178.41 2hw0 h LYS 94 N -0.39 0.77 -0.19 0.81 3.64 -0.98 -2.33 116.57 117.91 2hw0 h LYS 94 Ca -0.08 -0.10 -0.15 0.00 -1.27 0.00 0.00 60.65 59.05 2hw0 h LYS 94 Cb 1.33 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.99 2hw0 h LYS 94 CO 0.10 0.61 -0.52 1.49 -2.27 0.00 0.00 179.45 178.86 2hw0 h GLU 95 N 0.74 0.54 -0.33 1.90 4.22 -1.11 -2.60 114.58 117.95 2hw0 h GLU 95 Ca 0.19 -0.33 0.03 0.00 0.08 0.00 0.00 59.36 59.34 2hw0 h GLU 95 Cb 0.07 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2hw0 h GLU 95 CO -0.03 0.93 0.13 -0.92 -2.18 0.00 0.00 179.01 176.94 2hw0 h TYR 96 N 0.43 0.23 -0.25 0.92 5.03 -1.01 0.27 116.97 122.59 2hw0 h TYR 96 Ca 0.01 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.23 2hw0 h TYR 96 Cb 1.05 -0.06 -0.01 0.00 1.55 0.00 0.00 36.73 39.26 2hw0 h TYR 96 CO 0.04 0.11 -0.30 0.00 -1.32 0.00 0.00 178.16 176.69 2hw0 n SER 98 N -4.09 0.47 0.28 0.00 2.88 -0.84 -3.30 113.62 109.03 2hw0 n SER 98 Ca -0.01 0.56 0.18 0.00 -1.33 0.00 0.00 58.87 58.27 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 0.03 0.22 116.57 119.00 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 0.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 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 0.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.56 2hw0 h GLU 100 CO -0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 2hw0 n GLY 101 N 0.31 1.40 2.88 -3.84 0.00 0.78 -4.77 105.19 101.95 2hw0 n GLY 101 Ca 0.02 0.00 -0.24 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 -3.20 1.63 -0.13 1.61 2.47 -1.26 -5.09 114.94 110.98 2hw0 s ASN 102 Ca 0.00 -0.19 -0.11 0.00 0.42 0.00 0.00 52.86 52.98 2hw0 s ASN 102 Cb 0.00 -0.62 -0.05 0.00 -1.45 0.00 0.00 41.25 39.13 2hw0 s ASN 102 CO 0.00 -0.10 0.22 -0.76 -3.72 0.00 0.00 177.10 172.74 2hw0 s LEU 103 N 1.43 4.33 -0.20 3.21 2.01 -1.26 -1.20 118.68 126.99 2hw0 s LEU 103 Ca -0.02 0.51 0.10 0.00 0.01 0.00 0.00 54.13 54.73 2hw0 s LEU 103 Cb -0.13 -2.24 -0.19 0.00 0.01 0.00 0.00 46.19 43.63 2hw0 s LEU 103 CO -0.04 0.27 -0.06 -0.11 1.01 0.00 0.00 176.35 177.42 2hw0 n LEU 104 N 2.69 1.35 -3.64 1.79 -0.00 0.80 -4.65 117.00 115.33 2hw0 n LEU 104 Ca -0.16 -0.06 -0.12 0.00 -0.00 0.00 0.00 56.01 55.67 2hw0 n LEU 104 Cb 0.53 -0.12 -0.07 0.00 -0.00 0.00 0.00 43.42 43.75 2hw0 n LEU 104 CO 0.36 0.65 0.37 -0.32 -0.00 0.00 0.00 177.39 178.45 2hw0 s MET 105 N -2.45 0.77 -0.25 1.96 0.00 -0.58 -4.96 119.30 113.78 2hw0 s MET 105 Ca -0.19 1.02 -0.01 0.00 0.00 0.00 0.00 55.69 56.51 2hw0 s MET 105 Cb 0.07 0.32 0.08 0.00 0.00 0.00 0.00 34.83 35.29 2hw0 s MET 105 CO 0.65 -0.11 0.03 -2.00 0.00 0.00 0.00 175.02 173.59 2hw0 s GLU 106 N 0.71 1.02 0.30 4.11 2.12 -1.26 -1.12 118.70 124.58 2hw0 s GLU 106 Ca -0.03 -0.90 0.01 0.00 0.36 0.00 0.00 54.97 54.41 2hw0 s GLU 106 Cb -0.05 -2.29 -0.02 0.00 0.26 0.00 0.00 34.13 32.03 2hw0 s GLU 106 CO -0.05 -0.76 0.32 0.00 -0.54 0.00 0.00 175.26 174.23 2hw0 n GLY 108 N -0.51 -1.53 3.69 0.00 0.00 -1.26 -2.41 105.19 103.17 2hw0 n GLY 108 Ca 0.04 -1.12 -0.26 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.00 3.27 -1.05 4.61 0.00 -0.46 -4.75 121.76 121.38 2hw0 s ALA 109 Ca 0.00 -1.37 -0.23 0.00 0.00 0.00 0.00 51.96 50.36 2hw0 s ALA 109 Cb 0.00 -1.04 -0.11 0.00 0.00 0.00 0.00 23.12 21.97 2hw0 s ALA 109 CO 0.00 0.46 1.93 -0.35 0.00 0.00 0.00 175.76 177.79 2hw0 n PRO 110 N -0.25 1.54 -4.39 0.00 -0.04 -1.26 -4.38 135.00 126.21 2hw0 n PRO 110 Ca -0.09 -2.27 -0.26 0.00 -0.04 0.00 0.00 63.50 60.84 2hw0 n PRO 110 Cb 0.55 -3.49 -0.12 0.00 -0.04 0.00 0.00 33.50 30.41 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 6.08 1.44 0.00 0.54 1.70 -1.26 -4.76 118.95 122.69 2hw0 s ARG 111 Ca 0.65 -1.47 0.11 0.00 -0.47 0.00 0.00 55.73 54.55 2hw0 s ARG 111 Cb 0.04 -1.70 0.19 0.00 -0.57 0.00 0.00 34.95 32.90 2hw0 s ARG 111 CO 0.14 0.37 1.02 -1.13 -1.08 0.00 0.00 175.30 174.61 2hw0 n SER 112 N 0.33 0.16 -3.60 -2.89 3.41 -1.26 -4.59 113.62 105.18 2hw0 n SER 112 Ca -0.13 -1.89 -0.08 0.00 -0.26 0.00 0.00 58.87 56.51 2hw0 n SER 112 Cb 0.56 -0.08 -0.05 0.00 -0.26 0.00 0.00 64.21 64.38 2hw0 n SER 112 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2hw0 s GLN 113 N 0.00 0.44 0.02 4.33 -0.44 -1.26 -4.81 119.66 117.93 2hw0 s GLN 113 Ca 0.15 0.15 -0.09 0.00 -2.50 0.00 0.00 55.36 53.07 2hw0 s GLN 113 Cb 0.17 0.21 0.00 0.00 -1.64 0.00 0.00 33.01 31.75 2hw0 s GLN 113 CO -0.08 -0.13 0.18 0.20 0.50 0.00 0.00 175.29 175.97 2hw0 s GLY 114 N -0.92 0.03 0.00 2.59 0.00 -1.26 -5.10 107.32 102.66 2hw0 s GLY 114 Ca 0.02 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.57 2hw0 s GLY 114 CO -0.02 -0.32 0.62 -1.06 0.00 0.00 0.00 173.10 172.31 2hw0 n GLN 115 N 1.09 0.00 0.00 2.90 1.13 -1.26 -5.19 117.38 116.05 2hw0 n GLN 115 Ca -0.21 0.27 0.05 0.00 -1.94 0.00 0.00 57.00 55.18 2hw0 n GLN 115 Cb 0.57 -1.17 0.04 0.00 0.11 0.00 0.00 30.24 29.79 2hw0 n GLN 115 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16