#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 4.22 -0.01 3.54 0.01 -1.26 -5.16 113.70 115.04 2hw0 s SER 3 Ca 0.00 -1.48 -0.03 0.00 1.31 0.00 0.00 55.95 55.75 2hw0 s SER 3 Cb 0.00 0.27 -0.00 0.00 0.21 0.00 0.00 66.02 66.50 2hw0 s SER 3 CO 0.00 -0.81 0.06 -0.75 0.41 0.00 0.00 173.24 172.15 2hw0 s LYS 4 N -3.93 0.22 -0.23 12.44 2.47 -1.26 -5.13 119.74 124.32 2hw0 s LYS 4 Ca 0.19 -0.18 -0.26 0.00 -1.56 0.00 0.00 55.97 54.16 2hw0 s LYS 4 Cb 0.02 0.09 -0.00 0.00 -1.46 0.00 0.00 37.83 36.48 2hw0 s LYS 4 CO 0.10 -0.04 0.87 0.15 0.16 0.00 0.00 175.35 176.59 2hw0 s LYS 5 N -0.64 4.21 1.11 4.03 3.01 -1.26 -5.05 119.74 125.16 2hw0 s LYS 5 Ca -0.07 1.04 -0.18 0.00 -1.01 0.00 0.00 55.97 55.75 2hw0 s LYS 5 Cb -0.04 -3.63 0.25 0.00 -1.01 0.00 0.00 37.83 33.39 2hw0 s LYS 5 CO 0.00 -0.51 1.17 0.54 0.51 0.00 0.00 175.35 177.06 2hw0 s ASN 6 N 1.29 1.77 0.14 2.83 2.20 -1.26 -5.03 114.94 116.88 2hw0 s ASN 6 Ca 0.37 0.57 0.00 0.00 -0.94 0.00 0.00 52.86 52.87 2hw0 s ASN 6 Cb -0.15 -0.80 0.00 0.00 -2.00 0.00 0.00 41.25 38.29 2hw0 s ASN 6 CO 0.08 -3.59 0.00 0.61 -2.94 0.00 0.00 177.10 171.25 2hw0 n GLY 7 N -1.82 -0.84 2.80 0.45 0.00 -1.26 -5.08 105.19 99.43 2hw0 n GLY 7 Ca 0.13 0.16 -0.03 0.00 0.00 0.00 0.00 46.02 46.27 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 -1.38 0.96 -0.29 1.61 3.52 -1.26 -5.13 118.95 116.97 2hw0 s ARG 8 Ca 0.00 -0.89 -0.15 0.00 -0.13 0.00 0.00 55.73 54.56 2hw0 s ARG 8 Cb 0.00 -0.03 0.14 0.00 -1.56 0.00 0.00 34.95 33.50 2hw0 s ARG 8 CO 0.00 -1.21 0.88 -1.12 -0.81 0.00 0.00 175.30 173.04 2hw0 s SER 9 N 1.00 -0.71 0.00 -2.12 0.01 -1.26 -5.10 113.70 105.52 2hw0 s SER 9 Ca 0.28 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.59 2hw0 s SER 9 Cb 0.01 1.58 0.00 0.00 0.21 0.00 0.00 66.02 67.81 2hw0 s SER 9 CO -0.06 -0.16 0.74 0.61 0.41 0.00 0.00 173.24 174.78 2hw0 n GLY 10 N 4.52 -2.12 3.77 3.44 0.00 -1.26 -4.80 105.19 108.75 2hw0 n GLY 10 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.26 3.43 0.26 1.61 0.04 -1.26 -5.06 135.00 131.76 2hw0 s PRO 11 Ca 0.00 1.65 0.10 0.00 0.04 0.00 0.00 61.00 62.79 2hw0 s PRO 11 Cb 0.00 -2.09 -0.05 0.00 0.04 0.00 0.00 34.50 32.40 2hw0 s PRO 11 CO 0.00 -0.79 -0.17 -0.65 0.04 0.00 0.00 177.00 175.43 2hw0 s GLN 12 N -3.16 1.57 0.52 4.56 1.11 -1.26 -5.06 119.66 117.94 2hw0 s GLN 12 Ca 0.71 -1.72 -0.20 0.00 0.01 0.00 0.00 55.36 54.15 2hw0 s GLN 12 Cb -0.25 -1.52 -0.06 0.00 -1.01 0.00 0.00 33.01 30.17 2hw0 s GLN 12 CO 0.29 0.25 1.14 -1.25 0.01 0.00 0.00 175.29 175.73 2hw0 s PRO 13 N -3.57 3.44 0.33 2.91 0.04 -1.26 -4.87 135.00 132.02 2hw0 s PRO 13 Ca 0.28 1.65 0.06 0.00 0.04 0.00 0.00 61.00 63.03 2hw0 s PRO 13 Cb -0.03 -2.09 -0.03 0.00 0.04 0.00 0.00 34.50 32.39 2hw0 s PRO 13 CO 0.12 -0.78 0.24 -1.01 0.04 0.00 0.00 177.00 175.62 2hw0 s HIS 14 N -1.72 1.71 -0.49 0.56 3.76 -0.42 -4.71 115.29 113.98 2hw0 s HIS 14 Ca 0.71 -1.59 0.16 0.00 -0.15 0.00 0.00 55.06 54.18 2hw0 s HIS 14 Cb -0.25 -0.76 0.72 0.00 1.11 0.00 0.00 32.58 33.40 2hw0 s HIS 14 CO 0.29 -0.77 1.64 0.36 -0.85 0.00 0.00 174.74 175.40 2hw0 n LYS 15 N -0.63 4.14 -3.73 1.40 0.00 -1.26 -2.31 118.16 115.78 2hw0 n LYS 15 Ca 0.05 -3.00 -0.16 0.00 -0.00 0.00 0.00 58.31 55.20 2hw0 n LYS 15 Cb 0.63 -2.05 -0.16 0.00 -0.00 0.00 0.00 35.03 33.45 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 -0.02 -0.16 -1.58 0.52 -1.26 0.01 118.95 113.99 2hw0 s ARG 16 Ca 0.50 0.31 -0.12 0.00 -0.52 0.00 0.00 55.73 55.91 2hw0 s ARG 16 Cb 0.37 -0.31 0.05 0.00 0.52 0.00 0.00 34.95 35.58 2hw0 s ARG 16 CO 0.17 -0.22 0.40 -1.58 0.02 0.00 0.00 175.30 174.08 2hw0 s TRP 17 N 1.50 -0.50 0.28 -0.53 0.52 -0.97 -4.16 118.94 115.08 2hw0 s TRP 17 Ca -0.04 1.14 0.08 0.00 0.02 0.00 0.00 56.10 57.29 2hw0 s TRP 17 Cb -0.12 0.19 -0.04 0.00 -1.15 0.00 0.00 33.47 32.35 2hw0 s TRP 17 CO -0.04 -0.26 0.17 0.14 0.02 0.00 0.00 176.95 176.98 2hw0 s VAL 18 N 0.72 3.92 0.01 4.03 -7.23 0.65 -2.09 120.40 120.41 2hw0 s VAL 18 Ca -0.04 -1.53 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 2hw0 s VAL 18 Cb -0.05 -3.20 -0.01 0.00 0.56 0.00 0.00 36.38 33.67 2hw0 s VAL 18 CO -0.05 -0.30 -0.04 0.72 -0.31 0.00 0.00 175.10 175.12 2hw0 s PHE 19 N -2.24 0.32 -0.14 2.82 -0.71 -0.88 -1.55 117.98 115.61 2hw0 s PHE 19 Ca 0.35 -0.28 -0.07 0.00 -1.04 0.00 0.00 56.93 55.88 2hw0 s PHE 19 Cb -0.07 -0.21 0.06 0.00 -1.21 0.00 0.00 43.02 41.59 2hw0 s PHE 19 CO 0.24 -0.08 0.33 0.95 -1.34 0.00 0.00 175.22 175.33 2hw0 s THR 20 N -0.76 -0.10 -0.04 -4.49 -4.23 0.93 -2.45 115.64 104.51 2hw0 s THR 20 Ca -0.06 0.13 -0.01 0.00 -1.18 0.00 0.00 61.69 60.57 2hw0 s THR 20 Cb -0.06 -0.51 0.03 0.00 1.34 0.00 0.00 72.50 73.31 2hw0 s THR 20 CO -0.00 0.06 0.04 -0.22 -0.54 0.00 0.00 174.62 173.95 2hw0 s LEU 21 N 1.49 0.59 0.10 4.79 2.96 -0.91 -1.34 118.68 126.36 2hw0 s LEU 21 Ca -0.08 0.04 -0.30 0.00 -0.22 0.00 0.00 54.13 53.56 2hw0 s LEU 21 Cb -0.10 -0.16 -0.06 0.00 0.50 0.00 0.00 46.19 46.38 2hw0 s LEU 21 CO -0.11 -0.19 1.16 0.21 -1.32 0.00 0.00 176.35 176.10 2hw0 s ASN 22 N 1.67 7.15 -0.86 3.68 2.47 -1.26 -1.16 114.94 126.62 2hw0 s ASN 22 Ca -0.01 2.03 -0.05 0.00 0.42 0.00 0.00 52.86 55.25 2hw0 s ASN 22 Cb -0.13 -2.59 -0.00 0.00 -1.45 0.00 0.00 41.25 37.08 2hw0 s ASN 22 CO -0.03 -0.38 0.69 -3.20 -3.72 0.00 0.00 177.10 170.46 2hw0 n ASN 23 N 3.37 -6.24 -4.77 -4.21 4.05 0.87 -4.93 115.26 103.38 2hw0 n ASN 23 Ca 0.07 -0.60 -0.35 0.00 0.45 0.00 0.00 54.58 54.15 2hw0 n ASN 23 Cb 0.46 -3.66 0.01 0.00 1.23 0.00 0.00 39.78 37.82 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 -4.34 3.24 0.35 1.20 0.04 -1.25 -5.04 135.00 129.20 2hw0 s PRO 24 Ca 0.12 1.56 -0.03 0.00 0.04 0.00 0.00 61.00 62.69 2hw0 s PRO 24 Cb -0.04 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2hw0 s PRO 24 CO 0.82 -0.93 0.60 0.45 0.04 0.00 0.00 177.00 177.99 2hw0 s SER 25 N -1.94 6.35 0.51 6.66 0.15 -1.26 -4.90 113.70 119.27 2hw0 s SER 25 Ca 0.72 0.65 0.16 0.00 0.70 0.00 0.00 55.95 58.18 2hw0 s SER 25 Cb -0.23 -2.12 1.25 0.00 -1.71 0.00 0.00 66.02 63.21 2hw0 s SER 25 CO 0.30 -0.31 2.13 1.05 1.20 0.00 0.00 173.24 177.61 2hw0 h GLU 26 N 1.01 0.00 0.01 5.44 -0.00 -1.98 0.24 114.58 119.30 2hw0 h GLU 26 Ca -0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 58.84 2hw0 h GLU 26 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.96 2hw0 h GLU 26 CO 0.63 0.02 -0.13 0.22 -0.00 0.00 0.00 179.01 179.75 2hw0 h ASP 27 N 0.00 0.10 -0.11 3.06 3.58 -1.98 -2.56 116.42 118.51 2hw0 h ASP 27 Ca -0.00 -0.85 -0.01 0.00 0.42 0.00 0.00 57.03 56.58 2hw0 h ASP 27 Cb 0.04 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 41.05 2hw0 h ASP 27 CO 0.00 0.94 0.02 -0.08 -2.88 0.00 0.00 179.24 177.25 2hw0 h GLU 28 N -0.73 0.18 -0.66 0.28 4.81 -1.88 -1.34 114.58 115.25 2hw0 h GLU 28 Ca -0.02 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2hw0 h GLU 28 Cb 0.97 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 2hw0 h GLU 28 CO 0.03 0.37 0.43 -0.09 -0.73 0.00 0.00 179.01 179.01 2hw0 h ARG 29 N -0.04 0.87 -0.21 1.92 2.43 -0.67 -1.88 114.38 116.80 2hw0 h ARG 29 Ca 0.03 -0.06 -0.14 0.00 -0.81 0.00 0.00 59.98 59.01 2hw0 h ARG 29 Cb 0.27 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2hw0 h ARG 29 CO 0.00 0.58 -0.45 0.87 -1.51 0.00 0.00 179.97 179.46 2hw0 h LYS 30 N 0.89 0.52 -0.03 0.20 1.57 -1.27 -1.84 116.57 116.63 2hw0 h LYS 30 Ca 0.24 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2hw0 h LYS 30 Cb -0.09 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.23 2hw0 h LYS 30 CO -0.05 0.87 0.01 -0.22 -0.57 0.00 0.00 179.45 179.49 2hw0 h LYS 31 N 0.42 0.04 -0.53 3.15 3.11 -0.44 0.31 116.57 122.63 2hw0 h LYS 31 Ca 0.03 -0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 57.78 2hw0 h LYS 31 Cb 0.95 -0.01 -0.02 0.00 -1.00 0.00 0.00 32.23 32.16 2hw0 h LYS 31 CO 0.08 0.11 -0.00 0.82 -2.81 0.00 0.00 179.45 177.65 2hw0 h ILE 32 N -0.05 1.26 0.00 2.00 2.04 -1.45 -1.98 117.51 119.34 2hw0 h ILE 32 Ca 0.01 -1.11 -0.02 0.00 1.00 0.00 0.00 64.86 64.75 2hw0 h ILE 32 Cb 0.08 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 2hw0 h ILE 32 CO -0.00 0.39 -0.07 -0.09 0.00 0.00 0.00 178.15 178.38 2hw0 h ARG 33 N 0.81 0.00 -0.62 2.37 2.43 -1.19 -2.41 114.38 115.77 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 0.54 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2hw0 h ARG 33 CO 0.03 0.07 0.00 -3.47 -1.51 0.00 0.00 179.97 175.09 2hw0 n ASP 34 N -3.19 3.58 -4.72 -3.80 2.03 0.11 -4.98 116.55 105.58 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 -0.41 0.13 0.00 -0.72 0.00 0.00 41.12 40.48 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 2.86 -0.14 -2.67 1.43 -0.78 -4.93 118.68 113.34 2hw0 s LEU 35 Ca 0.44 1.96 -0.29 0.00 -1.03 0.00 0.00 54.13 55.21 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 0.31 -2.60 1.55 -2.16 0.23 0.00 0.00 176.35 173.68 2hw0 s PRO 36 N -4.78 4.06 0.27 1.29 0.04 -1.26 -4.90 135.00 129.72 2hw0 s PRO 36 Ca 0.64 1.89 0.03 0.00 0.04 0.00 0.00 61.00 63.60 2hw0 s PRO 36 Cb -0.20 -3.95 0.36 0.00 0.04 0.00 0.00 34.50 30.75 2hw0 s PRO 36 CO 0.57 -0.96 1.67 -0.84 0.04 0.00 0.00 177.00 177.47 2hw0 h ILE 37 N 5.75 1.30 0.00 0.56 3.07 -1.91 -2.62 117.51 123.65 2hw0 h ILE 37 Ca -0.34 -1.49 -0.01 0.00 1.55 0.00 0.00 64.86 64.56 2hw0 h ILE 37 Cb 1.15 1.58 -0.00 0.00 -0.27 0.00 0.00 36.82 39.28 2hw0 h ILE 37 CO 0.97 0.46 -0.07 0.28 -1.05 0.00 0.00 178.15 178.74 2hw0 h SER 38 N 0.33 0.00 0.71 2.16 0.02 -1.98 -2.23 113.55 112.56 2hw0 h SER 38 Ca 0.03 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.86 2hw0 h SER 38 Cb 0.82 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.34 2hw0 h SER 38 CO 0.07 0.07 -0.57 0.25 -1.14 0.00 0.00 176.83 175.51 2hw0 h LEU 39 N 0.00 0.00 -7.80 5.07 6.46 -1.87 -3.42 115.31 113.76 2hw0 h LEU 39 Ca -0.00 0.00 -0.61 0.00 -0.12 0.00 0.00 57.88 57.15 2hw0 h LEU 39 Cb 0.39 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 39.95 2hw0 h LEU 39 CO 0.01 0.57 -0.81 -0.36 -0.62 0.00 0.00 178.44 177.23 2hw0 s PHE 40 N -3.56 2.32 0.55 1.25 0.40 -0.84 -2.50 117.98 115.59 2hw0 s PHE 40 Ca -0.01 -1.48 0.30 0.00 -0.60 0.00 0.00 56.93 55.14 2hw0 s PHE 40 Cb 0.12 -1.61 1.47 0.00 0.51 0.00 0.00 43.02 43.51 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 -3.38 1.36 1.82 -1.63 -3.38 116.42 119.20 2hw0 h ASP 41 Ca -0.30 0.00 -0.33 0.00 -0.39 0.00 0.00 57.03 56.02 2hw0 h ASP 41 Cb 1.11 0.00 -0.36 0.00 0.68 0.00 0.00 39.33 40.75 2hw0 h ASP 41 CO 0.48 0.00 -0.72 -0.47 -1.61 0.00 0.00 179.24 176.92 2hw0 s TYR 42 N -4.89 0.01 -0.14 0.28 5.04 -1.25 -0.37 117.35 116.04 2hw0 s TYR 42 Ca -0.05 0.25 -0.02 0.00 -2.44 0.00 0.00 57.07 54.82 2hw0 s TYR 42 Cb 0.20 -0.34 0.04 0.00 0.35 0.00 0.00 41.96 42.21 2hw0 s TYR 42 CO 0.71 -0.16 -0.00 0.12 -1.34 0.00 0.00 175.55 174.88 2hw0 s PHE 43 N 1.69 1.07 -0.09 4.97 2.19 -1.01 -0.07 117.98 126.73 2hw0 s PHE 43 Ca -0.02 -0.65 -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 40.60 2hw0 s PHE 43 CO -0.03 -0.50 0.03 -1.50 1.83 0.00 0.00 175.22 175.04 2hw0 s ILE 44 N 1.84 0.23 -0.04 3.12 2.07 -0.38 -1.48 121.20 126.57 2hw0 s ILE 44 Ca 0.02 0.07 0.06 0.00 -1.41 0.00 0.00 60.65 59.40 2hw0 s ILE 44 Cb -0.15 -0.51 -0.01 0.00 0.13 0.00 0.00 42.46 41.92 2hw0 s ILE 44 CO -0.07 0.12 -0.24 -0.69 -1.91 0.00 0.00 174.94 172.15 2hw0 s VAL 45 N 2.02 1.94 -0.04 4.00 1.01 -0.26 0.03 120.40 129.09 2hw0 s VAL 45 Ca 0.04 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 61.02 2hw0 s VAL 45 Cb -0.13 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.63 2hw0 s VAL 45 CO -0.05 0.54 -0.09 -0.83 0.00 0.00 0.00 175.10 174.67 2hw0 s GLY 46 N -0.30 0.58 -0.04 4.51 0.00 -0.70 -0.33 107.32 111.05 2hw0 s GLY 46 Ca 0.01 -0.27 -0.19 0.00 0.00 0.00 0.00 44.72 44.27 2hw0 s GLY 46 CO 0.02 0.12 0.54 1.85 0.00 0.00 0.00 173.10 175.64 2hw0 s GLU 47 N 0.54 4.28 -0.33 2.90 2.12 0.88 -2.29 118.70 126.80 2hw0 s GLU 47 Ca -0.09 0.62 -0.11 0.00 0.36 0.00 0.00 54.97 55.75 2hw0 s GLU 47 Cb -0.12 -3.36 -0.01 0.00 0.26 0.00 0.00 34.13 30.90 2hw0 s GLU 47 CO 0.01 0.34 0.19 -2.00 -0.54 0.00 0.00 175.26 173.26 2hw0 s GLU 48 N -0.03 3.35 -0.47 4.30 2.12 0.49 -3.71 118.70 124.75 2hw0 s GLU 48 Ca 0.29 -0.72 0.06 0.00 0.36 0.00 0.00 54.97 54.96 2hw0 s GLU 48 Cb -0.17 -3.67 0.27 0.00 0.26 0.00 0.00 34.13 30.81 2hw0 s GLU 48 CO 0.15 -0.45 0.93 0.41 -0.54 0.00 0.00 175.26 175.76 2hw0 n GLY 49 N 5.03 0.44 0.99 -1.50 0.00 -1.26 -1.38 105.19 107.50 2hw0 n GLY 49 Ca -0.13 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 45.87 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 1.23 2.08 -3.53 1.61 4.05 -1.26 -4.97 115.26 114.47 2hw0 n ASN 50 Ca 0.09 -3.59 -0.17 0.00 0.45 0.00 0.00 54.58 51.37 2hw0 n ASN 50 Cb 0.64 -0.47 -0.13 0.00 1.23 0.00 0.00 39.78 41.05 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 -2.88 0.17 0.52 1.20 2.56 -1.26 -5.15 118.70 113.86 2hw0 s GLU 51 Ca 0.39 0.34 -0.19 0.00 0.00 0.00 0.00 54.97 55.51 2hw0 s GLU 51 Cb 0.38 -0.89 -0.07 0.00 2.00 0.00 0.00 34.13 35.55 2hw0 s GLU 51 CO -0.07 -0.56 1.07 -1.83 -0.56 0.00 0.00 175.26 173.31 2hw0 s GLU 52 N 2.35 3.60 0.00 4.30 -1.05 -1.26 -3.45 118.70 123.19 2hw0 s GLU 52 Ca 0.06 1.41 0.00 0.00 -0.15 0.00 0.00 54.97 56.28 2hw0 s GLU 52 Cb -0.15 -2.06 0.00 0.00 -0.44 0.00 0.00 34.13 31.48 2hw0 s GLU 52 CO -0.11 -0.61 0.00 0.41 0.95 0.00 0.00 175.26 175.90 2hw0 n GLY 53 N -0.24 3.21 3.60 -3.83 0.00 -1.26 -5.02 105.19 101.64 2hw0 n GLY 53 Ca 0.10 0.00 -0.23 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 -0.50 2.11 0.59 1.61 3.52 -1.22 -5.13 118.95 119.92 2hw0 s ARG 54 Ca 0.00 -1.53 -0.11 0.00 -0.13 0.00 0.00 55.73 53.96 2hw0 s ARG 54 Cb 0.00 -2.04 -0.04 0.00 -1.56 0.00 0.00 34.95 31.31 2hw0 s ARG 54 CO 0.00 0.34 0.99 0.95 -0.81 0.00 0.00 175.30 176.77 2hw0 s THR 55 N -2.39 4.73 0.90 4.11 -4.23 -1.26 -4.93 115.64 112.57 2hw0 s THR 55 Ca 0.31 0.80 -0.12 0.00 -1.18 0.00 0.00 61.69 61.51 2hw0 s THR 55 Cb -0.06 -3.86 0.13 0.00 1.34 0.00 0.00 72.50 70.06 2hw0 s THR 55 CO 0.19 -1.06 1.09 -2.16 -0.54 0.00 0.00 174.62 172.13 2hw0 s PRO 56 N -5.02 1.21 -0.00 3.99 0.04 -1.26 -4.80 135.00 129.16 2hw0 s PRO 56 Ca 0.54 0.80 0.00 0.00 0.04 0.00 0.00 61.00 62.38 2hw0 s PRO 56 Cb -0.11 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2hw0 s PRO 56 CO 0.51 -2.27 0.00 -1.58 0.04 0.00 0.00 177.00 173.70 2hw0 s HIS 57 N -2.94 0.00 -0.11 0.56 2.46 -0.48 -0.09 115.29 114.69 2hw0 s HIS 57 Ca 0.64 0.01 -0.13 0.00 0.47 0.00 0.00 55.06 56.05 2hw0 s HIS 57 Cb -0.18 -0.03 -0.05 0.00 -0.13 0.00 0.00 32.58 32.20 2hw0 s HIS 57 CO 0.57 -0.01 0.29 -1.17 -2.47 0.00 0.00 174.74 171.95 2hw0 s LEU 58 N 0.12 4.33 -0.25 8.88 0.20 -0.31 -0.38 118.68 131.28 2hw0 s LEU 58 Ca -0.01 0.61 -0.03 0.00 0.69 0.00 0.00 54.13 55.39 2hw0 s LEU 58 Cb -0.01 -2.37 0.14 0.00 -0.43 0.00 0.00 46.19 43.51 2hw0 s LEU 58 CO -0.00 0.22 0.42 -1.58 -0.29 0.00 0.00 176.35 175.11 2hw0 s GLN 59 N -0.21 0.38 0.19 1.98 2.00 -0.97 -2.14 119.66 120.90 2hw0 s GLN 59 Ca 0.18 0.70 -0.09 0.00 -2.00 0.00 0.00 55.36 54.15 2hw0 s GLN 59 Cb -0.14 -0.18 -0.01 0.00 0.80 0.00 0.00 33.01 33.48 2hw0 s GLN 59 CO 0.06 -0.57 0.32 0.20 -0.50 0.00 0.00 175.29 174.80 2hw0 s GLY 60 N 2.61 0.60 -0.01 2.59 0.00 -1.03 -1.71 107.32 110.38 2hw0 s GLY 60 Ca 0.11 -0.97 0.06 0.00 0.00 0.00 0.00 44.72 43.92 2hw0 s GLY 60 CO -0.16 -0.84 -0.18 -0.12 0.00 0.00 0.00 173.10 171.79 2hw0 s PHE 61 N -4.00 1.65 -0.05 1.90 5.36 0.10 -2.06 117.98 120.88 2hw0 s PHE 61 Ca 0.21 -0.32 -0.00 0.00 -0.96 0.00 0.00 56.93 55.86 2hw0 s PHE 61 Cb 0.03 -1.05 0.03 0.00 -0.34 0.00 0.00 43.02 41.68 2hw0 s PHE 61 CO 0.04 -0.02 -0.01 0.00 -1.46 0.00 0.00 175.22 173.77 2hw0 s ALA 62 N -0.47 0.58 -0.37 11.12 0.00 -0.89 -1.24 121.76 130.48 2hw0 s ALA 62 Ca 0.07 -0.02 -0.20 0.00 0.00 0.00 0.00 51.96 51.82 2hw0 s ALA 62 Cb -0.07 -0.51 0.00 0.00 0.00 0.00 0.00 23.12 22.54 2hw0 s ALA 62 CO -0.00 -0.20 0.59 1.21 0.00 0.00 0.00 175.76 177.36 2hw0 s ASN 63 N 1.34 6.37 0.04 0.00 3.84 0.89 -2.29 114.94 125.13 2hw0 s ASN 63 Ca -0.05 -0.01 -0.31 0.00 0.21 0.00 0.00 52.86 52.71 2hw0 s ASN 63 Cb -0.13 -2.30 -0.06 0.00 -0.55 0.00 0.00 41.25 38.20 2hw0 s ASN 63 CO -0.02 -0.59 1.38 -0.36 -2.79 0.00 0.00 177.10 174.73 2hw0 s PHE 64 N 2.61 3.01 0.59 0.43 0.08 0.10 -2.28 117.98 122.52 2hw0 s PHE 64 Ca 0.22 0.89 0.37 0.00 0.12 0.00 0.00 56.93 58.53 2hw0 s PHE 64 Cb -0.15 -3.65 2.07 0.00 -0.57 0.00 0.00 43.02 40.72 2hw0 s PHE 64 CO 0.15 -2.35 2.29 0.28 -0.10 0.00 0.00 175.22 175.49 2hw0 h VAL 65 N 4.69 0.26 -4.27 -0.44 2.07 -1.76 -3.42 116.25 113.38 2hw0 h VAL 65 Ca -0.40 -0.07 -0.35 0.00 0.82 0.00 0.00 66.70 66.71 2hw0 h VAL 65 Cb 1.19 1.05 -0.07 0.00 -1.52 0.00 0.00 31.29 31.94 2hw0 h VAL 65 CO 0.88 0.01 -0.28 0.29 0.02 0.00 0.00 177.57 178.50 2hw0 n LYS 66 N -3.43 0.90 -3.09 1.57 4.01 -1.26 -5.00 118.16 111.85 2hw0 n LYS 66 Ca -0.03 -2.08 -0.40 0.00 -0.51 0.00 0.00 58.31 55.29 2hw0 n LYS 66 Cb 0.10 0.95 -0.06 0.00 -0.51 0.00 0.00 35.03 35.51 2hw0 n LYS 66 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 2hw0 s LYS 67 N -2.97 4.22 0.06 1.97 -0.14 -1.26 -4.22 119.74 117.40 2hw0 s LYS 67 Ca 0.08 0.67 0.03 0.00 -1.36 0.00 0.00 55.97 55.39 2hw0 s LYS 67 Cb 0.00 -3.58 -0.03 0.00 -1.68 0.00 0.00 37.83 32.54 2hw0 s LYS 67 CO 0.06 -0.26 -0.09 -0.65 -0.76 0.00 0.00 175.35 173.65 2hw0 s GLN 68 N 1.99 0.65 0.56 1.68 -1.52 -0.98 -4.88 119.66 117.16 2hw0 s GLN 68 Ca 0.30 -0.92 0.02 0.00 -1.95 0.00 0.00 55.36 52.81 2hw0 s GLN 68 Cb -0.16 -0.36 0.04 0.00 -0.22 0.00 0.00 33.01 32.31 2hw0 s GLN 68 CO 0.10 0.06 0.78 0.95 -0.25 0.00 0.00 175.29 176.93 2hw0 s THR 69 N -1.86 2.62 0.06 -0.19 -4.23 -1.26 -1.31 115.64 109.47 2hw0 s THR 69 Ca -0.04 -0.69 -0.29 0.00 -1.18 0.00 0.00 61.69 59.48 2hw0 s THR 69 Cb -0.07 -2.93 -0.18 0.00 1.34 0.00 0.00 72.50 70.67 2hw0 s THR 69 CO -0.00 0.00 1.57 0.15 -0.54 0.00 0.00 174.62 175.80 2hw0 h PHE 70 N 0.06 -0.59 -0.88 3.99 3.57 -1.97 0.30 116.94 121.42 2hw0 h PHE 70 Ca -0.41 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.06 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 0.32 -0.33 0.50 -0.97 -2.23 0.00 0.00 178.31 175.60 2hw0 h ASN 71 N -0.71 1.08 -0.03 0.41 -0.73 -2.00 -2.65 115.58 110.96 2hw0 h ASN 71 Ca -0.07 -0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.02 2hw0 h ASN 71 Cb 0.52 -0.27 -0.00 0.00 0.27 0.00 0.00 38.32 38.84 2hw0 h ASN 71 CO 0.11 0.86 0.01 0.50 -0.37 0.00 0.00 177.43 178.53 2hw0 h LYS 72 N 1.22 0.05 -0.32 6.67 1.63 -1.92 -2.62 116.57 121.27 2hw0 h LYS 72 Ca 0.31 -0.01 0.09 0.00 -0.85 0.00 0.00 60.65 60.19 2hw0 h LYS 72 Cb -0.00 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.61 2hw0 h LYS 72 CO -0.05 0.28 0.37 0.28 -3.45 0.00 0.00 179.45 176.87 2hw0 h VAL 73 N -0.19 0.39 0.00 2.00 2.07 -0.20 0.31 116.25 120.63 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 0.25 0.71 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 -0.99 -1.61 118.16 118.81 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 0.52 -1.70 0.70 0.00 -0.02 0.00 0.00 35.03 34.53 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 0.23 115.95 122.88 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 0.00 -1.45 0.66 -1.28 0.00 0.00 178.44 176.37 2hw0 n TYR 76 N -3.10 0.00 0.60 0.12 4.01 -0.63 -4.62 117.16 113.53 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 0.30 -0.32 0.44 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 -3.44 0.31 -0.97 7.72 4.77 -0.89 -4.94 117.00 119.57 2hw0 n LEU 77 Ca -0.18 0.56 0.06 0.00 -0.03 0.00 0.00 56.01 56.42 2hw0 n LEU 77 Cb 0.60 -0.49 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 2hw0 n LEU 77 CO 0.01 -0.27 -0.37 0.61 -1.33 0.00 0.00 177.39 176.04 2hw0 n GLY 78 N 0.52 -3.35 0.14 -0.72 0.00 0.07 -4.14 105.19 97.70 2hw0 n GLY 78 Ca 0.04 -1.11 0.00 0.00 0.00 0.00 0.00 46.02 44.96 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 -0.45 0.78 -0.93 4.61 0.00 -1.96 -3.22 119.26 118.09 2hw0 h ALA 79 Ca -0.07 -0.55 0.14 0.00 0.00 0.00 0.00 54.91 54.42 2hw0 h ALA 79 Cb 0.77 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.37 2hw0 h ALA 79 CO 0.03 0.76 0.55 0.00 0.00 0.00 0.00 179.25 180.59 2hw0 h ARG 80 N 0.00 0.79 -5.69 0.00 3.08 -1.95 -3.39 114.38 107.22 2hw0 h ARG 80 Ca -0.01 -0.05 -0.59 0.00 0.07 0.00 0.00 59.98 59.41 2hw0 h ARG 80 Cb 1.24 -0.18 -0.08 0.00 0.08 0.00 0.00 29.97 31.03 2hw0 h ARG 80 CO 0.08 0.52 -0.22 0.00 -1.07 0.00 0.00 179.97 179.28 2hw0 s HIS 82 N 0.28 3.10 0.07 0.00 2.46 -0.45 -4.80 115.29 115.94 2hw0 s HIS 82 Ca 0.22 1.06 0.07 0.00 0.47 0.00 0.00 55.06 56.88 2hw0 s HIS 82 Cb -0.15 -3.53 -0.04 0.00 -0.13 0.00 0.00 32.58 28.74 2hw0 s HIS 82 CO 0.08 -1.81 -0.15 0.96 -2.47 0.00 0.00 174.74 171.35 2hw0 s ILE 83 N 2.05 3.00 0.16 0.89 -4.36 -1.26 -0.05 121.20 121.64 2hw0 s ILE 83 Ca 0.60 -1.24 -0.11 0.00 -0.26 0.00 0.00 60.65 59.64 2hw0 s ILE 83 Cb -0.29 -2.33 0.00 0.00 1.25 0.00 0.00 42.46 41.10 2hw0 s ILE 83 CO 0.25 0.24 0.32 -1.61 0.24 0.00 0.00 174.94 174.38 2hw0 s GLU 84 N -1.77 1.16 0.09 0.37 0.41 -0.60 -4.97 118.70 113.39 2hw0 s GLU 84 Ca 0.17 -1.08 -0.30 0.00 -0.41 0.00 0.00 54.97 53.35 2hw0 s GLU 84 Cb -0.11 0.40 -0.06 0.00 -1.78 0.00 0.00 34.13 32.59 2hw0 s GLU 84 CO 0.08 -0.44 1.07 0.15 -0.49 0.00 0.00 175.26 175.64 2hw0 s LYS 85 N -3.93 4.56 0.47 1.61 1.02 -1.26 -0.25 119.74 121.95 2hw0 s LYS 85 Ca 0.14 1.61 -0.08 0.00 0.02 0.00 0.00 55.97 57.66 2hw0 s LYS 85 Cb 0.03 -3.36 -0.05 0.00 -0.52 0.00 0.00 37.83 33.93 2hw0 s LYS 85 CO -0.02 -0.01 0.81 0.00 -0.92 0.00 0.00 175.35 175.20 2hw0 s ALA 86 N 0.44 3.35 0.01 5.17 0.00 -1.26 -4.86 121.76 124.61 2hw0 s ALA 86 Ca 0.52 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.13 2hw0 s ALA 86 Cb -0.26 -2.68 -0.01 0.00 0.00 0.00 0.00 23.12 20.17 2hw0 s ALA 86 CO 0.31 -0.26 -0.03 -1.59 0.00 0.00 0.00 175.76 174.19 2hw0 s LYS 87 N -4.46 0.23 0.00 0.00 -2.85 -1.26 -4.97 119.74 106.42 2hw0 s LYS 87 Ca 0.50 -0.33 0.00 0.00 -1.00 0.00 0.00 55.97 55.14 2hw0 s LYS 87 Cb -0.10 -0.05 0.00 0.00 -2.06 0.00 0.00 37.83 35.62 2hw0 s LYS 87 CO 0.41 0.00 0.00 0.41 0.10 0.00 0.00 175.35 176.27 2hw0 n GLY 88 N 2.36 0.05 3.76 0.59 0.00 -1.26 -4.81 105.19 105.88 2hw0 n GLY 88 Ca -0.18 -2.00 -0.28 0.00 0.00 0.00 0.00 46.02 43.57 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 1.79 0.28 2.61 -4.23 -1.26 -4.99 115.64 109.85 2hw0 s THR 89 Ca 0.00 -1.79 0.01 0.00 -1.18 0.00 0.00 61.69 58.73 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 1.33 0.94 -0.21 3.99 1.82 -1.97 -0.32 116.42 121.99 2hw0 h ASP 90 Ca -0.42 0.05 -0.09 0.00 -0.39 0.00 0.00 57.03 56.18 2hw0 h ASP 90 Cb 1.28 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 41.13 2hw0 h ASP 90 CO 0.71 0.50 -0.15 -0.61 -1.61 0.00 0.00 179.24 178.08 2hw0 h GLN 91 N 1.01 0.62 -0.57 0.28 5.75 -1.96 0.26 115.11 120.50 2hw0 h GLN 91 Ca 0.49 -0.20 -0.08 0.00 -0.15 0.00 0.00 58.65 58.71 2hw0 h GLN 91 Cb 0.47 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.94 2hw0 h GLN 91 CO -0.26 0.75 0.03 1.96 -2.65 0.00 0.00 178.83 178.66 2hw0 h GLN 92 N 0.56 0.99 0.15 1.69 4.20 -1.47 -0.69 115.11 120.54 2hw0 h GLN 92 Ca 0.10 -0.30 -0.30 0.00 0.06 0.00 0.00 58.65 58.21 2hw0 h GLN 92 Cb 0.58 -0.10 0.03 0.00 0.30 0.00 0.00 27.48 28.29 2hw0 h GLN 92 CO 0.04 0.97 -1.29 -0.91 -0.67 0.00 0.00 178.83 176.96 2hw0 h ASN 93 N 0.88 0.80 -0.24 1.46 -0.26 -1.14 -1.96 115.58 115.11 2hw0 h ASN 93 Ca 0.17 -0.77 -0.01 0.00 -0.56 0.00 0.00 56.30 55.13 2hw0 h ASN 93 Cb 0.50 -0.25 -0.01 0.00 -1.06 0.00 0.00 38.32 37.50 2hw0 h ASN 93 CO 0.02 1.58 0.12 0.50 -1.06 0.00 0.00 177.43 178.60 2hw0 h LYS 94 N 0.22 0.34 -0.27 0.81 3.64 -0.43 -1.11 116.57 119.76 2hw0 h LYS 94 Ca -0.19 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 58.96 2hw0 h LYS 94 Cb 1.97 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 33.73 2hw0 h LYS 94 CO 0.24 0.33 -0.54 0.93 -2.27 0.00 0.00 179.45 178.14 2hw0 h GLU 95 N 0.27 0.80 -0.34 1.90 4.39 -1.23 -2.67 114.58 117.70 2hw0 h GLU 95 Ca 0.08 -0.50 0.02 0.00 0.34 0.00 0.00 59.36 59.30 2hw0 h GLU 95 Cb 0.09 0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 2hw0 h GLU 95 CO -0.01 1.13 0.18 -0.92 -1.16 0.00 0.00 179.01 178.23 2hw0 h TYR 96 N 0.62 0.34 -0.43 4.33 3.20 -1.20 0.29 116.97 124.12 2hw0 h TYR 96 Ca 0.02 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 2hw0 h TYR 96 Cb 1.13 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.27 2hw0 h TYR 96 CO 0.07 0.19 0.01 0.00 -1.64 0.00 0.00 178.16 176.78 2hw0 n SER 98 N -4.24 0.51 0.31 0.00 3.41 -0.87 -3.42 113.62 109.32 2hw0 n SER 98 Ca 0.02 0.53 0.19 0.00 -0.26 0.00 0.00 58.87 59.36 2hw0 n SER 98 Cb 0.28 -0.66 1.05 0.00 -0.26 0.00 0.00 64.21 64.62 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 3.64 0.37 0.15 116.57 125.06 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 0.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 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 -1.70 -3.46 114.58 116.40 2hw0 h GLU 100 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2hw0 h GLU 100 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 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 0.34 1.47 2.86 -3.84 0.00 0.53 -4.57 105.19 101.99 2hw0 n GLY 101 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.24 1.30 -0.24 1.61 -0.87 -1.24 -5.07 114.94 107.20 2hw0 s ASN 102 Ca 0.00 -0.14 -0.09 0.00 -1.57 0.00 0.00 52.86 51.06 2hw0 s ASN 102 Cb 0.00 -0.51 -0.04 0.00 -0.02 0.00 0.00 41.25 40.68 2hw0 s ASN 102 CO 0.00 -0.10 0.12 -0.76 -2.57 0.00 0.00 177.10 173.80 2hw0 s LEU 103 N 1.30 3.87 -0.05 0.60 2.01 -1.26 -0.09 118.68 125.06 2hw0 s LEU 103 Ca -0.05 0.00 0.09 0.00 0.01 0.00 0.00 54.13 54.18 2hw0 s LEU 103 Cb -0.14 -2.04 -0.24 0.00 0.01 0.00 0.00 46.19 43.79 2hw0 s LEU 103 CO -0.02 0.04 0.64 0.25 1.01 0.00 0.00 176.35 178.27 2hw0 h LEU 104 N 7.70 0.08 -7.05 1.79 7.12 -0.97 -3.44 115.31 120.53 2hw0 h LEU 104 Ca -0.37 -0.17 -0.04 0.00 0.13 0.00 0.00 57.88 57.43 2hw0 h LEU 104 Cb 1.18 -0.03 -0.22 0.00 -0.53 0.00 0.00 40.66 41.06 2hw0 h LEU 104 CO 0.62 1.15 0.03 -0.32 -0.13 0.00 0.00 178.44 179.79 2hw0 s MET 105 N -2.60 0.73 -0.25 1.25 0.00 -0.64 -4.96 119.30 112.84 2hw0 s MET 105 Ca -0.07 0.99 -0.01 0.00 0.00 0.00 0.00 55.69 56.60 2hw0 s MET 105 Cb 0.08 0.29 0.08 0.00 0.00 0.00 0.00 34.83 35.28 2hw0 s MET 105 CO 0.82 -0.11 0.05 -2.00 0.00 0.00 0.00 175.02 173.78 2hw0 s GLU 106 N 0.76 0.80 0.35 4.11 -6.30 -1.26 -1.11 118.70 116.05 2hw0 s GLU 106 Ca -0.03 -0.79 -0.09 0.00 -2.50 0.00 0.00 54.97 51.56 2hw0 s GLU 106 Cb -0.05 -2.10 0.02 0.00 0.00 0.00 0.00 34.13 32.00 2hw0 s GLU 106 CO -0.05 -0.80 0.61 0.00 0.02 0.00 0.00 175.26 175.03 2hw0 n GLY 108 N -0.54 -0.56 3.68 0.00 0.00 -1.26 -2.39 105.19 104.12 2hw0 n GLY 108 Ca -0.03 -1.78 -0.23 0.00 0.00 0.00 0.00 46.02 43.97 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 -1.03 3.24 -0.57 4.61 0.00 0.51 -4.85 121.76 123.67 2hw0 s ALA 109 Ca 0.00 -1.58 -0.27 0.00 0.00 0.00 0.00 51.96 50.11 2hw0 s ALA 109 Cb 0.00 -0.90 -0.02 0.00 0.00 0.00 0.00 23.12 22.21 2hw0 s ALA 109 CO 0.00 0.29 1.83 -1.25 0.00 0.00 0.00 175.76 176.63 2hw0 s PRO 110 N -3.63 2.76 0.63 0.00 0.04 -1.26 -4.54 135.00 129.00 2hw0 s PRO 110 Ca 0.31 0.72 -0.16 0.00 0.04 0.00 0.00 61.00 61.91 2hw0 s PRO 110 Cb -0.07 -4.35 -0.02 0.00 0.04 0.00 0.00 34.50 30.11 2hw0 s PRO 110 CO 0.21 -2.58 1.10 1.03 0.04 0.00 0.00 177.00 176.80 2hw0 s ARG 111 N 6.78 2.98 0.03 4.56 1.81 -1.26 -5.06 118.95 128.78 2hw0 s ARG 111 Ca 0.68 1.38 -0.27 0.00 -1.72 0.00 0.00 55.73 55.80 2hw0 s ARG 111 Cb -0.14 -1.97 0.07 0.00 -0.45 0.00 0.00 34.95 32.45 2hw0 s ARG 111 CO 0.23 -1.11 0.62 -1.12 -0.68 0.00 0.00 175.30 173.24 2hw0 s SER 112 N -2.52 -0.59 0.28 0.23 0.01 -1.26 -4.31 113.70 105.53 2hw0 s SER 112 Ca 0.67 0.40 -0.05 0.00 1.31 0.00 0.00 55.95 58.28 2hw0 s SER 112 Cb -0.20 0.55 -0.01 0.00 0.21 0.00 0.00 66.02 66.57 2hw0 s SER 112 CO 0.39 -0.73 0.38 -1.58 0.41 0.00 0.00 173.24 172.11 2hw0 s GLN 113 N -2.17 1.61 0.00 12.44 0.74 -1.26 -5.08 119.66 125.94 2hw0 s GLN 113 Ca -0.06 -1.56 0.00 0.00 0.05 0.00 0.00 55.36 53.78 2hw0 s GLN 113 Cb -0.00 0.41 0.00 0.00 1.10 0.00 0.00 33.01 34.51 2hw0 s GLN 113 CO 0.01 -0.64 0.00 0.41 -0.55 0.00 0.00 175.29 174.52 2hw0 n GLY 114 N -0.43 -0.94 3.63 2.59 0.00 -1.26 -5.16 105.19 103.62 2hw0 n GLY 114 Ca 0.01 0.47 -0.07 0.00 0.00 0.00 0.00 46.02 46.43 2hw0 n GLY 114 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2hw0 s GLN 115 N 0.00 0.35 0.00 1.61 -2.07 -1.26 -5.38 119.66 112.91 2hw0 s GLN 115 Ca 0.00 0.35 0.31 0.00 -1.82 0.00 0.00 55.36 54.21 2hw0 s GLN 115 Cb 0.00 0.17 1.86 0.00 -1.09 0.00 0.00 33.01 33.95 2hw0 s GLN 115 CO 0.00 -0.06 2.18 -2.13 -1.32 0.00 0.00 175.29 173.97