#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hw0 n SER 3 N 0.00 -5.90 -4.57 3.54 7.64 -1.26 -4.86 113.62 108.21 2hw0 n SER 3 Ca 0.00 -0.35 -0.32 0.00 1.01 0.00 0.00 58.87 59.20 2hw0 n SER 3 Cb 0.00 -4.75 -0.04 0.00 -1.01 0.00 0.00 64.21 58.41 2hw0 n SER 3 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2hw0 s LYS 4 N -5.86 2.94 -0.39 1.43 1.02 -1.26 -4.89 119.74 112.73 2hw0 s LYS 4 Ca 0.37 -1.05 -0.00 0.00 0.02 0.00 0.00 55.97 55.31 2hw0 s LYS 4 Cb -0.17 -5.26 0.11 0.00 -0.52 0.00 0.00 37.83 31.99 2hw0 s LYS 4 CO 0.46 -3.24 0.16 0.15 -0.92 0.00 0.00 175.35 171.96 2hw0 s LYS 5 N 6.01 1.83 0.28 1.68 -0.14 -1.26 -5.10 119.74 123.04 2hw0 s LYS 5 Ca 0.63 -1.88 -0.04 0.00 -1.36 0.00 0.00 55.97 53.31 2hw0 s LYS 5 Cb -0.02 -3.45 -0.05 0.00 -1.68 0.00 0.00 37.83 32.63 2hw0 s LYS 5 CO 0.05 -1.03 0.53 0.54 -0.76 0.00 0.00 175.35 174.68 2hw0 s ASN 6 N 1.42 6.43 0.67 2.83 4.22 -1.26 -5.10 114.94 124.15 2hw0 s ASN 6 Ca 0.10 0.66 -0.04 0.00 -2.14 0.00 0.00 52.86 51.44 2hw0 s ASN 6 Cb -0.21 -2.12 0.07 0.00 1.28 0.00 0.00 41.25 40.26 2hw0 s ASN 6 CO -0.05 -0.17 0.95 -0.83 -2.04 0.00 0.00 177.10 174.96 2hw0 s GLY 7 N -3.17 1.74 -0.43 0.45 0.00 -1.26 -5.08 107.32 99.57 2hw0 s GLY 7 Ca 0.43 -1.16 0.05 0.00 0.00 0.00 0.00 44.72 44.03 2hw0 s GLY 7 CO 0.30 -0.76 0.47 0.50 0.00 0.00 0.00 173.10 173.62 2hw0 s ARG 8 N -5.12 0.85 0.93 2.90 0.52 -1.26 -5.15 118.95 112.62 2hw0 s ARG 8 Ca 0.61 -1.27 -0.11 0.00 -0.52 0.00 0.00 55.73 54.45 2hw0 s ARG 8 Cb -0.10 -0.71 0.15 0.00 0.52 0.00 0.00 34.95 34.82 2hw0 s ARG 8 CO 0.43 -1.29 1.12 -1.54 0.02 0.00 0.00 175.30 174.04 2hw0 s SER 9 N 0.88 2.90 0.00 0.23 1.04 -1.26 -5.02 113.70 112.48 2hw0 s SER 9 Ca 0.25 1.97 0.00 0.00 0.48 0.00 0.00 55.95 58.66 2hw0 s SER 9 Cb -0.05 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2hw0 s SER 9 CO -0.08 -3.08 0.00 0.61 0.98 0.00 0.00 173.24 171.67 2hw0 n GLY 10 N -0.03 -0.40 3.72 7.32 0.00 -1.26 -4.90 105.19 109.64 2hw0 n GLY 10 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.91 4.35 0.21 1.61 0.04 -1.26 -5.04 135.00 134.01 2hw0 s PRO 11 Ca 0.00 2.03 0.07 0.00 0.04 0.00 0.00 61.00 63.15 2hw0 s PRO 11 Cb 0.00 -3.25 -0.05 0.00 0.04 0.00 0.00 34.50 31.25 2hw0 s PRO 11 CO 0.00 -0.37 -0.13 -0.65 0.04 0.00 0.00 177.00 175.89 2hw0 s GLN 12 N 0.81 1.34 0.50 4.56 -0.21 -1.26 -5.08 119.66 120.32 2hw0 s GLN 12 Ca 0.62 -1.60 -0.21 0.00 0.02 0.00 0.00 55.36 54.18 2hw0 s GLN 12 Cb -0.36 -1.08 -0.07 0.00 1.00 0.00 0.00 33.01 32.50 2hw0 s GLN 12 CO 0.32 0.16 1.15 -1.25 -2.12 0.00 0.00 175.29 173.54 2hw0 s PRO 13 N -3.67 3.56 0.34 2.91 0.04 -1.26 -4.88 135.00 132.05 2hw0 s PRO 13 Ca 0.23 1.70 0.05 0.00 0.04 0.00 0.00 61.00 63.02 2hw0 s PRO 13 Cb 0.00 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 2hw0 s PRO 13 CO 0.07 -0.70 0.22 -1.01 0.04 0.00 0.00 177.00 175.62 2hw0 s HIS 14 N -1.66 1.72 -0.56 0.56 3.76 -0.39 -4.68 115.29 114.04 2hw0 s HIS 14 Ca 0.68 -1.52 0.16 0.00 -0.15 0.00 0.00 55.06 54.23 2hw0 s HIS 14 Cb -0.26 -0.85 0.69 0.00 1.11 0.00 0.00 32.58 33.27 2hw0 s HIS 14 CO 0.31 -0.67 1.61 0.36 -0.85 0.00 0.00 174.74 175.50 2hw0 n LYS 15 N -0.69 3.94 -3.72 1.40 0.00 -1.26 -2.13 118.16 115.70 2hw0 n LYS 15 Ca 0.03 -2.93 -0.17 0.00 -0.00 0.00 0.00 58.31 55.23 2hw0 n LYS 15 Cb 0.63 -1.98 -0.17 0.00 -0.00 0.00 0.00 35.03 33.51 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 -2.37 -0.05 -0.13 -1.58 0.52 -1.26 -0.05 118.95 114.02 2hw0 s ARG 16 Ca 0.49 0.30 -0.09 0.00 -0.52 0.00 0.00 55.73 55.90 2hw0 s ARG 16 Cb 0.35 -0.38 0.04 0.00 0.52 0.00 0.00 34.95 35.49 2hw0 s ARG 16 CO 0.17 -0.25 0.32 -1.58 0.02 0.00 0.00 175.30 173.98 2hw0 s TRP 17 N 1.66 -0.40 0.28 -0.53 0.52 -0.87 -4.10 118.94 115.49 2hw0 s TRP 17 Ca -0.02 0.94 0.08 0.00 0.02 0.00 0.00 56.10 57.12 2hw0 s TRP 17 Cb -0.12 0.14 -0.04 0.00 -1.15 0.00 0.00 33.47 32.30 2hw0 s TRP 17 CO -0.03 -0.22 0.18 0.14 0.02 0.00 0.00 176.95 177.04 2hw0 s VAL 18 N 0.68 3.96 0.01 4.03 -7.23 0.67 -1.81 120.40 120.71 2hw0 s VAL 18 Ca -0.04 -1.50 0.01 0.00 -1.81 0.00 0.00 61.98 58.64 2hw0 s VAL 18 Cb -0.05 -3.23 -0.01 0.00 0.56 0.00 0.00 36.38 33.65 2hw0 s VAL 18 CO -0.04 -0.30 -0.05 0.72 -0.31 0.00 0.00 175.10 175.12 2hw0 s PHE 19 N -2.23 0.42 -0.16 2.82 -0.71 -0.96 -1.56 117.98 115.60 2hw0 s PHE 19 Ca 0.35 -0.23 -0.08 0.00 -1.04 0.00 0.00 56.93 55.92 2hw0 s PHE 19 Cb -0.07 -0.26 0.06 0.00 -1.21 0.00 0.00 43.02 41.54 2hw0 s PHE 19 CO 0.24 -0.05 0.37 0.95 -1.34 0.00 0.00 175.22 175.40 2hw0 s THR 20 N -0.59 -0.10 -0.01 -4.49 -4.23 0.95 -2.61 115.64 104.56 2hw0 s THR 20 Ca -0.04 0.12 -0.00 0.00 -1.18 0.00 0.00 61.69 60.59 2hw0 s THR 20 Cb -0.05 -0.56 0.01 0.00 1.34 0.00 0.00 72.50 73.24 2hw0 s THR 20 CO -0.00 0.05 0.01 -0.22 -0.54 0.00 0.00 174.62 173.92 2hw0 s LEU 21 N 1.52 1.71 0.10 4.79 2.96 -0.97 -1.52 118.68 127.27 2hw0 s LEU 21 Ca -0.08 0.02 -0.25 0.00 -0.22 0.00 0.00 54.13 53.60 2hw0 s LEU 21 Cb -0.09 -0.00 -0.07 0.00 0.50 0.00 0.00 46.19 46.53 2hw0 s LEU 21 CO -0.12 -0.04 0.76 0.21 -1.32 0.00 0.00 176.35 175.84 2hw0 s ASN 22 N 0.32 7.28 -0.93 3.68 3.84 -1.26 -0.73 114.94 127.13 2hw0 s ASN 22 Ca -0.03 1.52 -0.09 0.00 0.21 0.00 0.00 52.86 54.47 2hw0 s ASN 22 Cb -0.04 -2.47 -0.01 0.00 -0.55 0.00 0.00 41.25 38.18 2hw0 s ASN 22 CO -0.01 0.12 0.72 0.59 -2.79 0.00 0.00 177.10 175.73 2hw0 n ASN 23 N 2.21 -5.95 -4.77 -4.21 4.13 0.93 -4.91 115.26 102.68 2hw0 n ASN 23 Ca -0.04 -0.72 -0.38 0.00 1.68 0.00 0.00 54.58 55.11 2hw0 n ASN 23 Cb 0.50 -3.50 -0.02 0.00 -1.54 0.00 0.00 39.78 35.22 2hw0 n ASN 23 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 2hw0 s PRO 24 N -4.80 3.97 0.35 3.52 0.04 -1.26 -5.04 135.00 131.79 2hw0 s PRO 24 Ca 0.21 1.86 -0.03 0.00 0.04 0.00 0.00 61.00 63.08 2hw0 s PRO 24 Cb -0.07 -2.62 -0.04 0.00 0.04 0.00 0.00 34.50 31.80 2hw0 s PRO 24 CO 0.84 -0.39 0.60 0.45 0.04 0.00 0.00 177.00 178.53 2hw0 s SER 25 N -1.14 6.35 0.53 6.66 0.15 -1.26 -4.92 113.70 120.07 2hw0 s SER 25 Ca 0.59 0.65 0.24 0.00 0.70 0.00 0.00 55.95 58.13 2hw0 s SER 25 Cb -0.31 -2.12 1.39 0.00 -1.71 0.00 0.00 66.02 63.27 2hw0 s SER 25 CO 0.39 -0.31 2.02 -0.33 1.20 0.00 0.00 173.24 176.20 2hw0 h GLU 26 N 1.01 0.00 0.13 5.44 5.08 -1.99 -0.70 114.58 123.55 2hw0 h GLU 26 Ca -0.48 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 57.60 2hw0 h GLU 26 Cb 1.20 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.48 2hw0 h GLU 26 CO 0.63 0.00 -1.15 -0.44 -1.00 0.00 0.00 179.01 177.05 2hw0 h ASP 27 N 0.00 0.79 -0.07 1.42 5.19 -1.98 -2.07 116.42 119.70 2hw0 h ASP 27 Ca 0.21 -0.85 -0.00 0.00 -0.62 0.00 0.00 57.03 55.78 2hw0 h ASP 27 Cb 0.87 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 40.13 2hw0 h ASP 27 CO -0.00 1.56 0.03 -0.33 -3.12 0.00 0.00 179.24 177.38 2hw0 h GLU 28 N 0.13 0.10 -0.34 3.56 5.08 -1.56 0.18 114.58 121.72 2hw0 h GLU 28 Ca -0.18 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.05 2hw0 h GLU 28 Cb 1.85 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.07 2hw0 h GLU 28 CO 0.22 0.17 -0.26 0.00 -1.00 0.00 0.00 179.01 178.13 2hw0 h ARG 29 N -0.00 0.69 -0.55 2.33 3.08 -1.33 -2.56 114.38 116.04 2hw0 h ARG 29 Ca 0.02 -0.29 -0.06 0.00 0.07 0.00 0.00 59.98 59.73 2hw0 h ARG 29 Cb 0.10 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 2hw0 h ARG 29 CO -0.00 0.88 0.12 -0.22 -1.07 0.00 0.00 179.97 179.68 2hw0 h LYS 30 N 0.60 0.89 0.19 0.04 3.64 -1.18 0.24 116.57 121.00 2hw0 h LYS 30 Ca 0.08 -0.22 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 2hw0 h LYS 30 Cb 0.76 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 2hw0 h LYS 30 CO 0.06 0.84 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.77 2hw0 h LYS 31 N 0.79 -0.25 -0.64 1.90 3.64 -0.85 0.29 116.57 121.45 2hw0 h LYS 31 Ca 0.17 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.49 2hw0 h LYS 31 Cb 0.36 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 2hw0 h LYS 31 CO 0.00 -0.07 0.08 0.82 -2.27 0.00 0.00 179.45 178.01 2hw0 h ILE 32 N -0.37 1.26 0.00 2.00 2.04 -1.42 -2.01 117.51 119.01 2hw0 h ILE 32 Ca -0.03 -1.05 -0.02 0.00 1.00 0.00 0.00 64.86 64.76 2hw0 h ILE 32 Cb 0.29 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 37.07 2hw0 h ILE 32 CO 0.04 0.39 -0.08 -0.09 0.00 0.00 0.00 178.15 178.42 2hw0 h ARG 33 N 0.98 0.00 -0.58 2.37 2.43 -0.42 -2.41 114.38 116.75 2hw0 h ARG 33 Ca 0.19 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 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 0.08 0.00 -3.47 -1.51 0.00 0.00 179.97 175.09 2hw0 n ASP 34 N -3.20 3.48 -4.72 -3.80 2.03 0.10 -4.98 116.55 105.47 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 0.36 -0.39 0.13 0.00 -0.72 0.00 0.00 41.12 40.50 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 -1.14 2.88 -0.14 -2.67 1.43 -0.80 -4.93 118.68 113.30 2hw0 s LEU 35 Ca 0.43 1.97 -0.29 0.00 -1.03 0.00 0.00 54.13 55.21 2hw0 s LEU 35 Cb 0.23 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.92 2hw0 s LEU 35 CO 0.31 -2.59 1.56 -2.16 0.23 0.00 0.00 176.35 173.69 2hw0 s PRO 36 N -4.78 4.05 0.27 1.29 0.04 -1.26 -4.90 135.00 129.70 2hw0 s PRO 36 Ca 0.64 1.88 0.04 0.00 0.04 0.00 0.00 61.00 63.60 2hw0 s PRO 36 Cb -0.20 -3.96 0.37 0.00 0.04 0.00 0.00 34.50 30.76 2hw0 s PRO 36 CO 0.57 -0.99 1.66 -0.84 0.04 0.00 0.00 177.00 177.45 2hw0 h ILE 37 N 5.77 1.31 0.00 0.56 3.07 -1.91 -2.63 117.51 123.68 2hw0 h ILE 37 Ca -0.34 -1.55 -0.01 0.00 1.55 0.00 0.00 64.86 64.51 2hw0 h ILE 37 Cb 1.15 1.65 -0.00 0.00 -0.27 0.00 0.00 36.82 39.35 2hw0 h ILE 37 CO 0.98 0.47 -0.04 0.28 -1.05 0.00 0.00 178.15 178.78 2hw0 h SER 38 N 0.28 0.00 0.71 2.16 0.02 -1.99 -2.37 113.55 112.37 2hw0 h SER 38 Ca 0.03 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.85 2hw0 h SER 38 Cb 0.85 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.37 2hw0 h SER 38 CO 0.07 0.04 -0.61 0.25 -1.14 0.00 0.00 176.83 175.44 2hw0 h LEU 39 N 0.00 0.00 -7.88 5.07 6.46 -1.87 -3.42 115.31 113.67 2hw0 h LEU 39 Ca -0.00 0.00 -0.62 0.00 -0.12 0.00 0.00 57.88 57.14 2hw0 h LEU 39 Cb 0.42 0.00 -0.36 0.00 -0.73 0.00 0.00 40.66 39.99 2hw0 h LEU 39 CO 0.01 0.61 -0.83 -0.36 -0.62 0.00 0.00 178.44 177.25 2hw0 s PHE 40 N -3.51 2.41 0.56 1.25 0.40 -0.89 -2.59 117.98 115.62 2hw0 s PHE 40 Ca -0.01 -1.48 0.29 0.00 -0.60 0.00 0.00 56.93 55.13 2hw0 s PHE 40 Cb 0.12 -1.68 1.47 0.00 0.51 0.00 0.00 43.02 43.44 2hw0 s PHE 40 CO 0.76 -0.73 1.93 -0.44 0.70 0.00 0.00 175.22 177.43 2hw0 h ASP 41 N 7.99 0.00 -3.32 1.36 3.32 -1.62 -3.39 116.42 120.76 2hw0 h ASP 41 Ca -0.35 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.41 2hw0 h ASP 41 Cb 1.12 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 40.32 2hw0 h ASP 41 CO 0.52 0.00 -0.67 -0.47 -1.72 0.00 0.00 179.24 176.91 2hw0 s TYR 42 N -4.80 -0.08 -0.14 4.55 5.04 -1.23 -0.23 117.35 120.46 2hw0 s TYR 42 Ca -0.05 0.41 -0.02 0.00 -2.44 0.00 0.00 57.07 54.97 2hw0 s TYR 42 Cb 0.18 -0.25 0.04 0.00 0.35 0.00 0.00 41.96 42.28 2hw0 s TYR 42 CO 0.65 -0.19 -0.00 0.12 -1.34 0.00 0.00 175.55 174.78 2hw0 s PHE 43 N 1.71 1.07 -0.09 4.97 2.19 -1.01 -0.04 117.98 126.77 2hw0 s PHE 43 Ca -0.02 -0.64 -0.02 0.00 0.33 0.00 0.00 56.93 56.57 2hw0 s PHE 43 Cb -0.12 -1.02 0.04 0.00 -1.31 0.00 0.00 43.02 40.61 2hw0 s PHE 43 CO -0.05 -0.50 0.03 -1.50 1.83 0.00 0.00 175.22 175.04 2hw0 s ILE 44 N 1.84 0.21 0.16 3.12 2.07 -0.43 -1.49 121.20 126.69 2hw0 s ILE 44 Ca 0.02 0.07 0.11 0.00 -1.41 0.00 0.00 60.65 59.44 2hw0 s ILE 44 Cb -0.15 -0.51 -0.04 0.00 0.13 0.00 0.00 42.46 41.89 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 2.03 2.30 -0.15 4.00 1.01 -0.48 -0.03 120.40 129.08 2hw0 s VAL 45 Ca 0.04 -1.90 -0.09 0.00 0.00 0.00 0.00 61.98 60.02 2hw0 s VAL 45 Cb -0.13 -2.06 0.05 0.00 0.00 0.00 0.00 36.38 34.24 2hw0 s VAL 45 CO -0.06 -0.02 0.37 -0.83 0.00 0.00 0.00 175.10 174.56 2hw0 s GLY 46 N -2.39 -0.28 -0.06 4.51 0.00 -0.76 -2.01 107.32 106.35 2hw0 s GLY 46 Ca 0.18 1.33 -0.18 0.00 0.00 0.00 0.00 44.72 46.05 2hw0 s GLY 46 CO 0.08 1.45 0.49 1.85 0.00 0.00 0.00 173.10 176.97 2hw0 s GLU 47 N 1.15 4.23 -0.21 2.90 2.12 -1.05 -1.95 118.70 125.89 2hw0 s GLU 47 Ca -0.08 0.51 -0.10 0.00 0.36 0.00 0.00 54.97 55.66 2hw0 s GLU 47 Cb -0.08 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 30.91 2hw0 s GLU 47 CO -0.09 0.35 0.13 -2.00 -0.54 0.00 0.00 175.26 173.11 2hw0 s GLU 48 N -0.04 4.14 -0.50 4.30 2.12 0.71 -4.25 118.70 125.18 2hw0 s GLU 48 Ca 0.26 -0.25 0.06 0.00 0.36 0.00 0.00 54.97 55.41 2hw0 s GLU 48 Cb -0.16 -3.42 0.19 0.00 0.26 0.00 0.00 34.13 30.99 2hw0 s GLU 48 CO 0.13 0.24 0.66 0.20 -0.54 0.00 0.00 175.26 175.94 2hw0 s GLY 49 N 0.53 -0.83 0.01 -1.50 0.00 -1.26 -1.74 107.32 102.53 2hw0 s GLY 49 Ca 0.07 -0.75 -0.00 0.00 0.00 0.00 0.00 44.72 44.04 2hw0 s GLY 49 CO -0.00 3.39 0.00 -2.01 0.00 0.00 0.00 173.10 174.48 2hw0 n ASN 50 N 2.98 -1.90 -3.75 1.64 2.85 -1.26 -4.97 115.26 110.85 2hw0 n ASN 50 Ca 0.20 -0.06 -0.28 0.00 -0.11 0.00 0.00 54.58 54.33 2hw0 n ASN 50 Cb 0.55 -0.01 0.24 0.00 1.24 0.00 0.00 39.78 41.80 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 -1.96 -3.41 -1.58 1.20 4.71 -1.26 -4.73 120.64 113.61 2hw0 n GLU 51 Ca 0.00 -1.00 -0.40 0.00 -0.01 0.00 0.00 57.16 55.75 2hw0 n GLU 51 Cb 0.00 -1.86 0.03 0.00 -1.01 0.00 0.00 31.44 28.60 2hw0 n GLU 51 CO 0.00 0.00 0.00 -1.91 0.09 0.00 0.00 177.13 175.31 2hw0 n GLU 52 N -4.34 1.04 0.00 3.49 2.13 -1.26 -2.70 120.64 118.99 2hw0 n GLU 52 Ca 0.07 0.38 0.00 0.00 0.66 0.00 0.00 57.16 58.28 2hw0 n GLU 52 Cb 0.54 -1.97 0.00 0.00 0.27 0.00 0.00 31.44 30.28 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 1.36 3.38 3.73 8.31 0.00 -1.26 -5.05 105.19 115.65 2hw0 n GLY 53 Ca 0.11 0.00 -0.35 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 -0.91 3.71 0.55 1.61 6.06 -1.10 -5.10 118.95 123.78 2hw0 s ARG 54 Ca 0.00 -0.26 -0.10 0.00 -2.50 0.00 0.00 55.73 52.87 2hw0 s ARG 54 Cb 0.00 -3.19 -0.04 0.00 0.06 0.00 0.00 34.95 31.78 2hw0 s ARG 54 CO 0.00 0.50 0.93 0.95 -2.50 0.00 0.00 175.30 175.18 2hw0 s THR 55 N -0.24 4.76 0.33 4.11 -4.23 -1.26 -4.72 115.64 114.38 2hw0 s THR 55 Ca 0.09 0.70 -0.28 0.00 -1.18 0.00 0.00 61.69 61.01 2hw0 s THR 55 Cb -0.12 -3.84 -0.10 0.00 1.34 0.00 0.00 72.50 69.78 2hw0 s THR 55 CO 0.01 -0.97 1.22 -2.16 -0.54 0.00 0.00 174.62 172.19 2hw0 s PRO 56 N -4.84 4.40 -0.00 3.99 0.04 -1.26 -4.75 135.00 132.58 2hw0 s PRO 56 Ca 0.53 2.04 -0.00 0.00 0.04 0.00 0.00 61.00 63.60 2hw0 s PRO 56 Cb -0.11 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.39 2hw0 s PRO 56 CO 0.47 -0.09 0.01 -1.58 0.04 0.00 0.00 177.00 175.85 2hw0 s HIS 57 N -1.19 -0.00 -0.10 0.56 2.46 -0.71 -0.05 115.29 116.26 2hw0 s HIS 57 Ca 0.49 0.02 -0.15 0.00 0.47 0.00 0.00 55.06 55.89 2hw0 s HIS 57 Cb -0.36 -0.03 -0.05 0.00 -0.13 0.00 0.00 32.58 32.02 2hw0 s HIS 57 CO 0.47 -0.01 0.39 -1.17 -2.47 0.00 0.00 174.74 171.95 2hw0 s LEU 58 N 0.12 4.32 -0.23 8.88 0.20 0.09 -0.21 118.68 131.85 2hw0 s LEU 58 Ca -0.01 0.74 -0.03 0.00 0.69 0.00 0.00 54.13 55.51 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 0.13 0.38 -1.58 -0.29 0.00 0.00 176.35 174.98 2hw0 s GLN 59 N 0.09 0.33 0.30 1.98 2.00 -0.82 -2.29 119.66 121.26 2hw0 s GLN 59 Ca 0.22 0.61 -0.11 0.00 -2.00 0.00 0.00 55.36 54.07 2hw0 s GLN 59 Cb -0.15 -0.36 0.01 0.00 0.80 0.00 0.00 33.01 33.31 2hw0 s GLN 59 CO 0.09 -0.57 0.55 0.20 -0.50 0.00 0.00 175.29 175.06 2hw0 s GLY 60 N 2.55 0.69 -0.00 2.59 0.00 -1.07 -1.82 107.32 110.25 2hw0 s GLY 60 Ca 0.10 -0.96 0.03 0.00 0.00 0.00 0.00 44.72 43.89 2hw0 s GLY 60 CO -0.15 -0.62 -0.10 -0.12 0.00 0.00 0.00 173.10 172.11 2hw0 s PHE 61 N -3.47 0.90 -0.05 1.90 5.36 0.96 -2.26 117.98 121.31 2hw0 s PHE 61 Ca 0.22 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 56.00 2hw0 s PHE 61 Cb -0.02 -0.58 0.02 0.00 -0.34 0.00 0.00 43.02 42.11 2hw0 s PHE 61 CO 0.12 -0.01 -0.02 0.00 -1.46 0.00 0.00 175.22 173.84 2hw0 s ALA 62 N -0.30 0.66 -0.37 11.12 0.00 -0.75 -1.31 121.76 130.81 2hw0 s ALA 62 Ca 0.03 -0.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.74 2hw0 s ALA 62 Cb -0.04 -0.54 0.00 0.00 0.00 0.00 0.00 23.12 22.54 2hw0 s ALA 62 CO -0.00 -0.20 0.51 1.21 0.00 0.00 0.00 175.76 177.28 2hw0 s ASN 63 N 1.34 6.30 0.13 0.00 3.84 0.94 -2.06 114.94 125.44 2hw0 s ASN 63 Ca -0.05 -0.14 -0.31 0.00 0.21 0.00 0.00 52.86 52.58 2hw0 s ASN 63 Cb -0.13 -2.27 -0.08 0.00 -0.55 0.00 0.00 41.25 38.22 2hw0 s ASN 63 CO -0.02 -0.52 1.37 -0.36 -2.79 0.00 0.00 177.10 174.78 2hw0 s PHE 64 N 2.40 3.24 0.56 0.43 0.08 0.92 -2.17 117.98 123.44 2hw0 s PHE 64 Ca 0.18 1.01 0.30 0.00 0.12 0.00 0.00 56.93 58.54 2hw0 s PHE 64 Cb -0.15 -3.67 1.77 0.00 -0.57 0.00 0.00 43.02 40.40 2hw0 s PHE 64 CO 0.14 -2.28 2.22 0.28 -0.10 0.00 0.00 175.22 175.48 2hw0 h VAL 65 N 4.15 0.51 -4.00 -0.44 2.07 -1.78 -3.42 116.25 113.33 2hw0 h VAL 65 Ca -0.43 -0.12 -0.27 0.00 0.82 0.00 0.00 66.70 66.71 2hw0 h VAL 65 Cb 1.21 1.08 -0.06 0.00 -1.52 0.00 0.00 31.29 32.00 2hw0 h VAL 65 CO 0.84 0.03 -0.21 2.29 0.02 0.00 0.00 177.57 180.54 2hw0 n LYS 66 N -3.77 0.94 -2.96 1.57 0.00 -1.26 -4.98 118.16 107.70 2hw0 n LYS 66 Ca -0.03 -1.60 -0.41 0.00 -0.00 0.00 0.00 58.31 56.27 2hw0 n LYS 66 Cb 0.12 0.76 -0.05 0.00 -0.00 0.00 0.00 35.03 35.86 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 -2.74 4.27 0.06 -1.58 -0.14 -1.26 -4.21 119.74 114.14 2hw0 s LYS 67 Ca 0.07 0.89 0.03 0.00 -1.36 0.00 0.00 55.97 55.60 2hw0 s LYS 67 Cb 0.00 -3.57 -0.03 0.00 -1.68 0.00 0.00 37.83 32.55 2hw0 s LYS 67 CO 0.05 -0.29 -0.10 -0.65 -0.76 0.00 0.00 175.35 173.60 2hw0 s GLN 68 N 2.04 0.65 0.55 1.68 -1.52 -0.91 -4.87 119.66 117.27 2hw0 s GLN 68 Ca 0.35 -0.87 0.01 0.00 -1.95 0.00 0.00 55.36 52.90 2hw0 s GLN 68 Cb -0.16 -0.46 0.03 0.00 -0.22 0.00 0.00 33.01 32.20 2hw0 s GLN 68 CO 0.12 0.09 0.77 0.95 -0.25 0.00 0.00 175.29 176.97 2hw0 s THR 69 N -1.54 2.82 0.06 -0.19 -4.23 -1.26 -1.27 115.64 110.03 2hw0 s THR 69 Ca -0.05 -0.62 -0.30 0.00 -1.18 0.00 0.00 61.69 59.54 2hw0 s THR 69 Cb -0.09 -3.06 -0.18 0.00 1.34 0.00 0.00 72.50 70.51 2hw0 s THR 69 CO 0.01 -0.05 1.56 0.15 -0.54 0.00 0.00 174.62 175.75 2hw0 h PHE 70 N 0.08 -0.61 -0.92 3.99 3.57 -1.98 0.30 116.94 121.36 2hw0 h PHE 70 Ca -0.43 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.05 2hw0 h PHE 70 Cb 1.29 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 40.19 2hw0 h PHE 70 CO 0.38 -0.35 0.53 -0.97 -2.23 0.00 0.00 178.31 175.67 2hw0 h ASN 71 N -0.73 1.13 -0.01 0.41 -0.73 -2.00 -2.66 115.58 110.99 2hw0 h ASN 71 Ca -0.07 -0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.01 2hw0 h ASN 71 Cb 0.54 -0.29 -0.00 0.00 0.27 0.00 0.00 38.32 38.84 2hw0 h ASN 71 CO 0.11 0.89 0.00 0.50 -0.37 0.00 0.00 177.43 178.57 2hw0 h LYS 72 N 1.28 0.02 -0.33 6.67 1.63 -1.92 -2.64 116.57 121.28 2hw0 h LYS 72 Ca 0.33 -0.00 0.10 0.00 -0.85 0.00 0.00 60.65 60.22 2hw0 h LYS 72 Cb -0.01 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 2hw0 h LYS 72 CO -0.06 0.26 0.37 0.28 -3.45 0.00 0.00 179.45 176.86 2hw0 h VAL 73 N -0.23 0.38 0.00 2.00 2.07 -0.21 0.31 116.25 120.57 2hw0 h VAL 73 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 2hw0 h VAL 73 Cb 0.26 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.73 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 -3.70 0.08 0.28 1.57 5.02 -1.00 -1.58 118.16 118.83 2hw0 n LYS 74 Ca 0.05 0.47 0.17 0.00 -2.02 0.00 0.00 58.31 56.98 2hw0 n LYS 74 Cb 0.53 -1.71 0.68 0.00 -0.02 0.00 0.00 35.03 34.51 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 -0.20 115.95 122.45 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 -1.43 0.66 -1.28 0.00 0.00 178.44 176.40 2hw0 n TYR 76 N -3.11 0.00 0.57 0.12 4.01 -0.62 -4.62 117.16 113.52 2hw0 n TYR 76 Ca 0.01 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.85 2hw0 n TYR 76 Cb 0.31 -0.32 0.43 0.00 -0.31 0.00 0.00 39.34 39.45 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 -3.43 0.28 -0.95 7.72 4.77 -0.86 -4.96 117.00 119.57 2hw0 n LEU 77 Ca -0.17 0.56 0.06 0.00 -0.03 0.00 0.00 56.01 56.42 2hw0 n LEU 77 Cb 0.60 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 2hw0 n LEU 77 CO 0.01 -0.29 -0.36 0.61 -1.33 0.00 0.00 177.39 176.04 2hw0 n GLY 78 N 0.40 -3.36 0.13 -0.72 0.00 -0.09 -4.15 105.19 97.41 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 -0.40 0.78 -0.80 4.61 0.00 -1.95 -3.23 119.26 118.26 2hw0 h ALA 79 Ca -0.06 -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 -0.08 0.00 0.00 0.00 0.00 17.79 18.35 2hw0 h ALA 79 CO 0.02 0.77 0.41 0.00 0.00 0.00 0.00 179.25 180.46 2hw0 h ARG 80 N 0.00 0.62 -5.82 0.00 3.08 -1.95 -3.39 114.38 106.92 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 -0.07 0.00 0.08 0.00 0.00 29.97 31.08 2hw0 h ARG 80 CO 0.08 0.41 -0.11 0.00 -1.07 0.00 0.00 179.97 179.28 2hw0 s HIS 82 N 0.41 3.11 0.06 0.00 2.46 -0.58 -4.81 115.29 115.94 2hw0 s HIS 82 Ca 0.27 1.07 0.07 0.00 0.47 0.00 0.00 55.06 56.95 2hw0 s HIS 82 Cb -0.16 -3.52 -0.04 0.00 -0.13 0.00 0.00 32.58 28.73 2hw0 s HIS 82 CO 0.12 -1.77 -0.16 0.96 -2.47 0.00 0.00 174.74 171.42 2hw0 s ILE 83 N 2.03 2.97 0.16 0.89 -4.36 -1.26 -0.04 121.20 121.59 2hw0 s ILE 83 Ca 0.60 -1.23 -0.11 0.00 -0.26 0.00 0.00 60.65 59.65 2hw0 s ILE 83 Cb -0.29 -2.30 0.00 0.00 1.25 0.00 0.00 42.46 41.12 2hw0 s ILE 83 CO 0.25 0.26 0.31 -0.70 0.24 0.00 0.00 174.94 175.30 2hw0 s GLU 84 N -1.71 1.14 0.09 0.37 -6.30 -0.60 -4.97 118.70 106.72 2hw0 s GLU 84 Ca 0.17 -1.07 -0.30 0.00 -2.50 0.00 0.00 54.97 51.26 2hw0 s GLU 84 Cb -0.11 0.40 -0.06 0.00 0.00 0.00 0.00 34.13 34.37 2hw0 s GLU 84 CO 0.08 -0.43 1.06 0.15 0.02 0.00 0.00 175.26 176.14 2hw0 s LYS 85 N -3.93 4.57 0.42 4.30 1.02 -1.26 -0.24 119.74 124.63 2hw0 s LYS 85 Ca 0.13 1.60 -0.06 0.00 0.02 0.00 0.00 55.97 57.66 2hw0 s LYS 85 Cb 0.03 -3.36 -0.04 0.00 -0.52 0.00 0.00 37.83 33.93 2hw0 s LYS 85 CO -0.03 0.00 0.72 0.00 -0.92 0.00 0.00 175.35 175.12 2hw0 s ALA 86 N 0.42 3.46 0.01 5.17 0.00 -1.26 -4.86 121.76 124.70 2hw0 s ALA 86 Ca 0.52 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.99 2hw0 s ALA 86 Cb -0.26 -2.51 -0.01 0.00 0.00 0.00 0.00 23.12 20.34 2hw0 s ALA 86 CO 0.31 -0.15 -0.05 -1.59 0.00 0.00 0.00 175.76 174.28 2hw0 s LYS 87 N -4.32 0.39 0.00 0.00 -2.85 -1.26 -4.97 119.74 106.73 2hw0 s LYS 87 Ca 0.47 -0.32 0.00 0.00 -1.00 0.00 0.00 55.97 55.12 2hw0 s LYS 87 Cb -0.10 -0.30 0.00 0.00 -2.06 0.00 0.00 37.83 35.36 2hw0 s LYS 87 CO 0.39 0.07 0.00 0.41 0.10 0.00 0.00 175.35 176.32 2hw0 n GLY 88 N 2.55 -0.37 3.99 0.59 0.00 -1.26 -4.80 105.19 105.88 2hw0 n GLY 88 Ca -0.16 -2.21 -0.19 0.00 0.00 0.00 0.00 46.02 43.46 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 2.49 0.28 2.61 -4.23 -1.26 -4.94 115.64 110.59 2hw0 s THR 89 Ca 0.00 -1.10 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 2hw0 s THR 89 Cb 0.00 -2.59 0.28 0.00 1.34 0.00 0.00 72.50 71.53 2hw0 s THR 89 CO 0.00 0.00 1.84 -0.78 -0.54 0.00 0.00 174.62 175.14 2hw0 h ASP 90 N 0.53 0.92 -0.23 3.99 3.58 -1.98 -0.30 116.42 122.94 2hw0 h ASP 90 Ca -0.36 0.04 -0.08 0.00 0.42 0.00 0.00 57.03 57.05 2hw0 h ASP 90 Cb 1.28 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 42.17 2hw0 h ASP 90 CO 0.46 0.51 -0.12 1.56 -2.88 0.00 0.00 179.24 178.77 2hw0 h GLN 91 N 1.01 0.63 -0.28 0.28 1.08 -1.95 0.26 115.11 116.15 2hw0 h GLN 91 Ca 0.48 -0.20 -0.14 0.00 -1.45 0.00 0.00 58.65 57.34 2hw0 h GLN 91 Cb 0.43 -0.06 -0.01 0.00 -0.05 0.00 0.00 27.48 27.79 2hw0 h GLN 91 CO -0.25 0.74 -0.40 1.96 -0.95 0.00 0.00 178.83 179.93 2hw0 h GLN 92 N 0.58 0.66 0.15 1.46 4.20 -1.49 -1.47 115.11 119.20 2hw0 h GLN 92 Ca 0.10 -0.34 -0.25 0.00 0.06 0.00 0.00 58.65 58.22 2hw0 h GLN 92 Cb 0.55 0.01 0.03 0.00 0.30 0.00 0.00 27.48 28.36 2hw0 h GLN 92 CO 0.03 0.95 -1.08 -0.91 -0.67 0.00 0.00 178.83 177.15 2hw0 h ASN 93 N 0.54 0.70 -0.32 1.46 -0.26 -0.94 -1.78 115.58 114.98 2hw0 h ASN 93 Ca 0.04 -0.88 -0.01 0.00 -0.56 0.00 0.00 56.30 54.90 2hw0 h ASN 93 Cb 0.93 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.95 2hw0 h ASN 93 CO 0.08 1.52 0.17 0.50 -1.06 0.00 0.00 177.43 178.64 2hw0 h LYS 94 N -0.02 0.44 -0.31 0.81 3.64 -0.49 -1.55 116.57 119.10 2hw0 h LYS 94 Ca -0.18 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 58.97 2hw0 h LYS 94 Cb 1.81 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 33.55 2hw0 h LYS 94 CO 0.20 0.38 -0.51 0.93 -2.27 0.00 0.00 179.45 178.18 2hw0 h GLU 95 N 0.39 0.89 -0.62 1.90 5.08 -1.38 -2.61 114.58 118.23 2hw0 h GLU 95 Ca 0.11 -0.55 0.05 0.00 -1.00 0.00 0.00 59.36 57.98 2hw0 h GLU 95 Cb 0.07 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.32 2hw0 h GLU 95 CO -0.02 1.18 0.33 -0.92 -1.00 0.00 0.00 179.01 178.59 2hw0 h TYR 96 N 0.68 0.61 -0.25 4.33 5.03 -1.16 0.27 116.97 126.49 2hw0 h TYR 96 Ca 0.02 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.25 2hw0 h TYR 96 Cb 1.12 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 39.20 2hw0 h TYR 96 CO 0.07 0.29 -0.30 0.00 -1.32 0.00 0.00 178.16 176.91 2hw0 n SER 98 N -4.09 0.43 0.29 0.00 3.41 -0.68 -3.43 113.62 109.56 2hw0 n SER 98 Ca -0.01 0.54 0.19 0.00 -0.26 0.00 0.00 58.87 59.33 2hw0 n SER 98 Cb 0.44 -0.66 0.97 0.00 -0.26 0.00 0.00 64.21 64.71 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 -0.01 0.24 116.57 124.24 2hw0 h LYS 99 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2hw0 h LYS 99 Cb 0.62 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.85 2hw0 h LYS 99 CO 0.00 0.00 0.00 0.93 -2.81 0.00 0.00 179.45 177.57 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 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 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 0.28 1.40 2.94 -3.84 0.00 0.85 -4.80 105.19 102.02 2hw0 n GLY 101 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2hw0 n GLY 101 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hw0 s ASN 102 N -3.20 1.94 -0.16 1.61 -0.87 -1.26 -5.11 114.94 107.88 2hw0 s ASN 102 Ca 0.00 -0.28 -0.07 0.00 -1.57 0.00 0.00 52.86 50.94 2hw0 s ASN 102 Cb 0.00 -0.79 -0.04 0.00 -0.02 0.00 0.00 41.25 40.40 2hw0 s ASN 102 CO 0.00 -0.07 0.07 -0.76 -2.57 0.00 0.00 177.10 173.77 2hw0 s LEU 103 N 1.32 3.90 -0.21 0.60 2.01 -1.26 -2.53 118.68 122.51 2hw0 s LEU 103 Ca -0.02 0.16 0.03 0.00 0.01 0.00 0.00 54.13 54.31 2hw0 s LEU 103 Cb -0.14 -1.97 -0.15 0.00 0.01 0.00 0.00 46.19 43.95 2hw0 s LEU 103 CO -0.04 0.24 -0.16 -0.11 1.01 0.00 0.00 176.35 177.29 2hw0 n LEU 104 N 3.06 2.70 -3.76 1.79 -0.00 -0.85 -4.72 117.00 115.23 2hw0 n LEU 104 Ca -0.17 -0.10 -0.12 0.00 -0.00 0.00 0.00 56.01 55.61 2hw0 n LEU 104 Cb 0.53 -0.63 -0.12 0.00 -0.00 0.00 0.00 43.42 43.20 2hw0 n LEU 104 CO 0.34 0.82 -0.06 -0.32 -0.00 0.00 0.00 177.39 178.17 2hw0 s MET 105 N -2.42 0.31 -0.24 1.96 0.00 -1.01 -4.98 119.30 112.92 2hw0 s MET 105 Ca -0.27 0.47 -0.02 0.00 0.00 0.00 0.00 55.69 55.87 2hw0 s MET 105 Cb 0.07 0.08 0.08 0.00 0.00 0.00 0.00 34.83 35.06 2hw0 s MET 105 CO 0.51 -0.08 0.06 -2.00 0.00 0.00 0.00 175.02 173.51 2hw0 s GLU 106 N 0.54 0.66 0.35 4.11 2.12 -1.26 -1.39 118.70 123.83 2hw0 s GLU 106 Ca -0.03 -0.67 -0.09 0.00 0.36 0.00 0.00 54.97 54.54 2hw0 s GLU 106 Cb -0.05 -1.99 0.02 0.00 0.26 0.00 0.00 34.13 32.38 2hw0 s GLU 106 CO -0.03 -0.79 0.60 0.00 -0.54 0.00 0.00 175.26 174.49 2hw0 n GLY 108 N -0.53 -0.45 3.67 0.00 0.00 -1.26 -2.41 105.19 104.22 2hw0 n GLY 108 Ca -0.03 -1.82 -0.23 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.01 3.23 -0.51 4.61 0.00 0.68 -4.86 121.76 123.90 2hw0 s ALA 109 Ca 0.00 -1.59 -0.27 0.00 0.00 0.00 0.00 51.96 50.10 2hw0 s ALA 109 Cb 0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 2hw0 s ALA 109 CO 0.00 0.29 1.80 -1.25 0.00 0.00 0.00 175.76 176.60 2hw0 s PRO 110 N -3.63 2.93 0.63 0.00 0.04 -1.26 -4.54 135.00 129.17 2hw0 s PRO 110 Ca 0.31 0.88 -0.16 0.00 0.04 0.00 0.00 61.00 62.08 2hw0 s PRO 110 Cb -0.07 -4.30 -0.01 0.00 0.04 0.00 0.00 34.50 30.16 2hw0 s PRO 110 CO 0.21 -2.36 1.10 1.03 0.04 0.00 0.00 177.00 177.01 2hw0 s ARG 111 N 6.43 2.97 -0.14 4.56 1.81 -1.26 -5.06 118.95 128.26 2hw0 s ARG 111 Ca 0.70 1.38 -0.06 0.00 -1.72 0.00 0.00 55.73 56.04 2hw0 s ARG 111 Cb -0.16 -1.97 0.06 0.00 -0.45 0.00 0.00 34.95 32.43 2hw0 s ARG 111 CO 0.26 -1.12 0.30 0.45 -0.68 0.00 0.00 175.30 174.51 2hw0 s SER 112 N -2.52 -0.04 -0.04 0.23 0.15 -1.26 -4.33 113.70 105.89 2hw0 s SER 112 Ca 0.67 0.68 -0.13 0.00 0.70 0.00 0.00 55.95 57.88 2hw0 s SER 112 Cb -0.20 0.74 -0.07 0.00 -1.71 0.00 0.00 66.02 64.78 2hw0 s SER 112 CO 0.39 -0.21 0.55 1.56 1.20 0.00 0.00 173.24 176.73 2hw0 h GLN 113 N 7.81 -0.44 -1.01 5.44 1.08 -1.97 -3.51 115.11 122.52 2hw0 h GLN 113 Ca -0.25 0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 2hw0 h GLN 113 Cb 1.13 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.66 2hw0 h GLN 113 CO 0.22 -0.29 0.00 0.41 -0.95 0.00 0.00 178.83 178.22 2hw0 n GLY 114 N 0.56 -0.83 3.73 3.46 0.00 -1.26 -5.06 105.19 105.79 2hw0 n GLY 114 Ca -0.06 -0.73 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 2hw0 n GLY 114 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2hw0 s GLN 115 N -0.71 4.20 0.00 1.61 0.74 -1.26 -5.31 119.66 118.92 2hw0 s GLN 115 Ca 0.00 -0.11 0.00 0.00 0.05 0.00 0.00 55.36 55.30 2hw0 s GLN 115 Cb 0.00 -3.42 0.00 0.00 1.10 0.00 0.00 33.01 30.69 2hw0 s GLN 115 CO 0.00 0.29 0.00 -2.13 -0.55 0.00 0.00 175.29 172.90