#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 -1.03 1.05 3.54 0.01 -1.26 -5.16 113.70 110.86 2hw0 s SER 3 Ca 0.00 -0.48 -0.11 0.00 1.31 0.00 0.00 55.95 56.66 2hw0 s SER 3 Cb 0.00 1.73 0.22 0.00 0.21 0.00 0.00 66.02 68.18 2hw0 s SER 3 CO 0.00 -0.25 1.08 -0.54 0.41 0.00 0.00 173.24 173.94 2hw0 s LYS 4 N 2.23 -0.05 0.01 12.44 -0.14 -1.26 -5.05 119.74 127.93 2hw0 s LYS 4 Ca 0.13 1.20 0.05 0.00 -1.36 0.00 0.00 55.97 55.98 2hw0 s LYS 4 Cb -0.08 -1.63 -0.02 0.00 -1.68 0.00 0.00 37.83 34.42 2hw0 s LYS 4 CO -0.16 -3.25 -0.14 -1.59 -0.76 0.00 0.00 175.35 169.45 2hw0 s LYS 5 N -4.54 1.07 -0.13 1.68 -2.85 -1.26 -5.13 119.74 108.58 2hw0 s LYS 5 Ca 0.68 -0.62 -0.04 0.00 -1.00 0.00 0.00 55.97 54.99 2hw0 s LYS 5 Cb -0.24 -1.05 0.06 0.00 -2.06 0.00 0.00 37.83 34.53 2hw0 s LYS 5 CO 0.62 0.28 0.14 -0.80 0.10 0.00 0.00 175.35 175.68 2hw0 s ASN 6 N -0.67 1.48 -0.41 0.03 0.01 -1.26 -5.11 114.94 109.00 2hw0 s ASN 6 Ca 0.04 -0.15 -0.29 0.00 -0.71 0.00 0.00 52.86 51.75 2hw0 s ASN 6 Cb -0.06 0.07 0.02 0.00 0.41 0.00 0.00 41.25 41.69 2hw0 s ASN 6 CO 0.00 -0.30 1.16 -0.83 -1.51 0.00 0.00 177.10 175.62 2hw0 s GLY 7 N 2.23 1.35 0.38 0.66 0.00 -1.26 -5.02 107.32 105.67 2hw0 s GLY 7 Ca 0.04 -0.29 0.08 0.00 0.00 0.00 0.00 44.72 44.55 2hw0 s GLY 7 CO -0.08 2.43 0.39 -1.60 0.00 0.00 0.00 173.10 174.24 2hw0 s ARG 8 N 4.26 2.70 0.11 2.90 3.52 -1.26 -5.14 118.95 126.05 2hw0 s ARG 8 Ca 0.49 -1.36 0.09 0.00 -0.13 0.00 0.00 55.73 54.82 2hw0 s ARG 8 Cb -0.10 -2.51 -0.04 0.00 -1.56 0.00 0.00 34.95 30.74 2hw0 s ARG 8 CO 0.27 -0.09 -0.22 -1.54 -0.81 0.00 0.00 175.30 172.92 2hw0 s SER 9 N -4.13 2.67 0.00 -2.12 1.04 -1.26 -5.10 113.70 104.80 2hw0 s SER 9 Ca 0.47 -0.72 0.00 0.00 0.48 0.00 0.00 55.95 56.18 2hw0 s SER 9 Cb -0.06 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.91 2hw0 s SER 9 CO 0.29 0.07 0.00 0.61 0.98 0.00 0.00 173.24 175.18 2hw0 n GLY 10 N 0.97 1.79 3.77 7.32 0.00 -1.26 -5.09 105.19 112.70 2hw0 n GLY 10 Ca -0.19 -2.08 -0.35 0.00 0.00 0.00 0.00 46.02 43.40 2hw0 n GLY 10 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hw0 s PRO 11 N -1.45 3.44 0.28 1.61 0.04 -1.26 -5.06 135.00 132.60 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 32.41 2hw0 s PRO 11 CO 0.00 -0.79 -0.04 -0.65 0.04 0.00 0.00 177.00 175.56 2hw0 s GLN 12 N -3.16 2.14 0.43 4.56 -0.21 -1.26 -5.05 119.66 117.11 2hw0 s GLN 12 Ca 0.71 -1.53 -0.24 0.00 0.02 0.00 0.00 55.36 54.32 2hw0 s GLN 12 Cb -0.25 -2.05 -0.08 0.00 1.00 0.00 0.00 33.01 31.63 2hw0 s GLN 12 CO 0.29 0.33 1.17 -1.25 -2.12 0.00 0.00 175.29 173.71 2hw0 s PRO 13 N -3.65 3.88 0.40 2.91 0.04 -1.26 -4.91 135.00 132.40 2hw0 s PRO 13 Ca 0.32 1.82 0.04 0.00 0.04 0.00 0.00 61.00 63.22 2hw0 s PRO 13 Cb -0.05 -2.53 -0.02 0.00 0.04 0.00 0.00 34.50 31.94 2hw0 s PRO 13 CO 0.19 -0.46 0.15 -1.01 0.04 0.00 0.00 177.00 175.91 2hw0 s HIS 14 N -1.48 1.77 -0.45 0.56 3.76 -0.55 -4.65 115.29 114.25 2hw0 s HIS 14 Ca 0.61 -1.34 0.15 0.00 -0.15 0.00 0.00 55.06 54.33 2hw0 s HIS 14 Cb -0.30 -1.08 0.71 0.00 1.11 0.00 0.00 32.58 33.02 2hw0 s HIS 14 CO 0.37 -0.39 1.63 0.36 -0.85 0.00 0.00 174.74 175.86 2hw0 n LYS 15 N -0.86 4.12 -3.74 1.40 0.00 -1.26 -2.29 118.16 115.52 2hw0 n LYS 15 Ca -0.04 -2.99 -0.16 0.00 -0.00 0.00 0.00 58.31 55.12 2hw0 n LYS 15 Cb 0.65 -2.05 -0.16 0.00 -0.00 0.00 0.00 35.03 33.46 2hw0 n LYS 15 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2hw0 s ARG 16 N -2.52 -0.01 -0.15 -1.58 0.52 -1.26 0.02 118.95 113.96 2hw0 s ARG 16 Ca 0.50 0.29 -0.12 0.00 -0.52 0.00 0.00 55.73 55.89 2hw0 s ARG 16 Cb 0.37 -0.28 0.05 0.00 0.52 0.00 0.00 34.95 35.61 2hw0 s ARG 16 CO 0.16 -0.21 0.39 -1.58 0.02 0.00 0.00 175.30 174.09 2hw0 s TRP 17 N 1.39 -0.49 0.29 -0.53 0.52 -0.88 -4.14 118.94 115.09 2hw0 s TRP 17 Ca -0.06 1.14 0.08 0.00 0.02 0.00 0.00 56.10 57.28 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 0.13 0.14 0.02 0.00 0.00 176.95 176.94 2hw0 s VAL 18 N 0.71 3.71 0.02 4.03 -7.23 0.80 -1.81 120.40 120.63 2hw0 s VAL 18 Ca -0.04 -1.62 0.02 0.00 -1.81 0.00 0.00 61.98 58.53 2hw0 s VAL 18 Cb -0.05 -3.11 -0.01 0.00 0.56 0.00 0.00 36.38 33.77 2hw0 s VAL 18 CO -0.05 -0.30 -0.06 0.72 -0.31 0.00 0.00 175.10 175.10 2hw0 s PHE 19 N -2.28 0.57 -0.14 2.82 -0.71 -0.95 -1.80 117.98 115.49 2hw0 s PHE 19 Ca 0.34 -0.27 -0.07 0.00 -1.04 0.00 0.00 56.93 55.89 2hw0 s PHE 19 Cb -0.06 -0.35 0.06 0.00 -1.21 0.00 0.00 43.02 41.45 2hw0 s PHE 19 CO 0.23 -0.04 0.34 0.95 -1.34 0.00 0.00 175.22 175.36 2hw0 s THR 20 N -0.68 -0.09 -0.01 -4.49 -4.23 0.37 -2.61 115.64 103.90 2hw0 s THR 20 Ca -0.03 0.13 -0.00 0.00 -1.18 0.00 0.00 61.69 60.61 2hw0 s THR 20 Cb -0.06 -0.51 0.01 0.00 1.34 0.00 0.00 72.50 73.28 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 1.47 1.73 0.06 4.79 2.96 -0.96 -1.41 118.68 127.32 2hw0 s LEU 21 Ca -0.08 0.01 -0.27 0.00 -0.22 0.00 0.00 54.13 53.57 2hw0 s LEU 21 Cb -0.10 -0.02 -0.05 0.00 0.50 0.00 0.00 46.19 46.52 2hw0 s LEU 21 CO -0.11 -0.04 0.85 0.21 -1.32 0.00 0.00 176.35 175.94 2hw0 s ASN 22 N 0.31 7.31 -0.92 3.68 3.84 -1.26 -1.06 114.94 126.84 2hw0 s ASN 22 Ca -0.03 1.57 -0.08 0.00 0.21 0.00 0.00 52.86 54.54 2hw0 s ASN 22 Cb -0.04 -2.52 -0.01 0.00 -0.55 0.00 0.00 41.25 38.14 2hw0 s ASN 22 CO -0.01 -0.05 0.72 -3.20 -2.79 0.00 0.00 177.10 171.78 2hw0 n ASN 23 N 2.95 -6.11 -4.77 -4.21 4.05 0.86 -4.91 115.26 103.13 2hw0 n ASN 23 Ca 0.00 -0.67 -0.40 0.00 0.45 0.00 0.00 54.58 53.96 2hw0 n ASN 23 Cb 0.50 -3.66 -0.02 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 -4.62 4.27 0.35 1.20 0.04 -1.25 -5.01 135.00 129.97 2hw0 s PRO 24 Ca 0.19 1.98 -0.03 0.00 0.04 0.00 0.00 61.00 63.18 2hw0 s PRO 24 Cb -0.06 -2.92 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 2hw0 s PRO 24 CO 0.83 -0.18 0.60 0.45 0.04 0.00 0.00 177.00 178.74 2hw0 s SER 25 N -0.84 6.35 0.53 6.66 0.15 -1.26 -4.92 113.70 120.36 2hw0 s SER 25 Ca 0.52 0.66 0.20 0.00 0.70 0.00 0.00 55.95 58.02 2hw0 s SER 25 Cb -0.34 -2.12 1.34 0.00 -1.71 0.00 0.00 66.02 63.18 2hw0 s SER 25 CO 0.44 -0.32 2.09 -0.33 1.20 0.00 0.00 173.24 176.33 2hw0 h GLU 26 N 1.00 0.00 -0.02 5.44 5.08 -1.98 -0.36 114.58 123.74 2hw0 h GLU 26 Ca -0.48 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 2hw0 h GLU 26 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2hw0 h GLU 26 CO 0.63 0.00 -0.06 -0.44 -1.00 0.00 0.00 179.01 178.14 2hw0 h ASP 27 N 0.00 0.09 -0.08 1.42 3.32 -1.98 -1.64 116.42 117.56 2hw0 h ASP 27 Ca 0.10 -0.60 -0.00 0.00 0.02 0.00 0.00 57.03 56.55 2hw0 h ASP 27 Cb 0.40 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.92 2hw0 h ASP 27 CO -0.00 0.67 0.04 -0.33 -1.72 0.00 0.00 179.24 177.90 2hw0 h GLU 28 N -0.49 0.11 -0.18 3.56 4.39 -1.80 -1.32 114.58 118.86 2hw0 h GLU 28 Ca -0.00 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 2hw0 h GLU 28 Cb 0.66 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 2hw0 h GLU 28 CO 0.01 0.20 -0.00 0.00 -1.16 0.00 0.00 179.01 178.07 2hw0 h ARG 29 N -0.01 0.26 -0.35 2.33 3.08 -1.18 -2.29 114.38 116.23 2hw0 h ARG 29 Ca 0.03 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 59.88 2hw0 h ARG 29 Cb 0.13 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2hw0 h ARG 29 CO -0.00 0.29 -0.42 0.87 -1.07 0.00 0.00 179.97 179.63 2hw0 h LYS 30 N 0.26 0.89 0.19 0.04 1.57 -0.92 -0.34 116.57 118.25 2hw0 h LYS 30 Ca 0.06 -0.49 -0.01 0.00 -1.87 0.00 0.00 60.65 58.35 2hw0 h LYS 30 Cb 0.18 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.52 2hw0 h LYS 30 CO 0.00 1.13 -0.09 -0.22 -0.57 0.00 0.00 179.45 179.70 2hw0 h LYS 31 N 0.71 -0.25 -0.61 3.15 3.64 -0.71 0.29 116.57 122.80 2hw0 h LYS 31 Ca 0.05 0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.35 2hw0 h LYS 31 Cb 1.01 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.87 2hw0 h LYS 31 CO 0.10 -0.08 -0.00 0.82 -2.27 0.00 0.00 179.45 178.02 2hw0 h ILE 32 N -0.37 1.27 0.00 2.00 2.04 -1.49 -2.01 117.51 118.95 2hw0 h ILE 32 Ca -0.03 -1.16 -0.01 0.00 1.00 0.00 0.00 64.86 64.66 2hw0 h ILE 32 Cb 0.28 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2hw0 h ILE 32 CO 0.04 0.42 -0.06 -0.09 0.00 0.00 0.00 178.15 178.47 2hw0 h ARG 33 N 0.99 0.00 -0.63 2.37 2.43 -0.95 -2.44 114.38 116.15 2hw0 h ARG 33 Ca 0.17 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 2hw0 h ARG 33 Cb 0.57 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2hw0 h ARG 33 CO 0.03 0.06 0.00 -3.47 -1.51 0.00 0.00 179.97 175.08 2hw0 n ASP 34 N -3.17 3.72 -4.72 -3.80 2.03 0.10 -4.98 116.55 105.73 2hw0 n ASP 34 Ca 0.01 -1.99 -0.31 0.00 0.52 0.00 0.00 54.79 53.01 2hw0 n ASP 34 Cb 0.35 -0.42 0.13 0.00 -0.72 0.00 0.00 41.12 40.47 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 2.89 -0.13 -2.67 1.43 -0.80 -4.93 118.68 113.32 2hw0 s LEU 35 Ca 0.45 1.96 -0.29 0.00 -1.03 0.00 0.00 54.13 55.22 2hw0 s LEU 35 Cb 0.24 -4.50 -0.04 0.00 0.03 0.00 0.00 46.19 41.93 2hw0 s LEU 35 CO 0.32 -2.56 1.55 -2.16 0.23 0.00 0.00 176.35 173.74 2hw0 s PRO 36 N -4.79 4.07 0.27 1.29 0.04 -1.26 -4.90 135.00 129.72 2hw0 s PRO 36 Ca 0.64 1.89 0.04 0.00 0.04 0.00 0.00 61.00 63.61 2hw0 s PRO 36 Cb -0.20 -3.95 0.38 0.00 0.04 0.00 0.00 34.50 30.77 2hw0 s PRO 36 CO 0.57 -0.96 1.67 -0.84 0.04 0.00 0.00 177.00 177.48 2hw0 h ILE 37 N 5.74 1.31 0.00 0.56 3.07 -1.91 -2.62 117.51 123.65 2hw0 h ILE 37 Ca -0.34 -1.53 -0.01 0.00 1.55 0.00 0.00 64.86 64.53 2hw0 h ILE 37 Cb 1.15 1.63 -0.00 0.00 -0.27 0.00 0.00 36.82 39.33 2hw0 h ILE 37 CO 0.97 0.47 -0.04 0.77 -1.05 0.00 0.00 178.15 179.27 2hw0 h SER 38 N 0.29 0.00 0.76 2.16 4.64 -1.99 -2.32 113.55 117.08 2hw0 h SER 38 Ca 0.03 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.22 2hw0 h SER 38 Cb 0.84 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.91 2hw0 h SER 38 CO 0.07 0.04 -0.62 0.25 -0.87 0.00 0.00 176.83 175.69 2hw0 h LEU 39 N 0.00 0.00 -7.88 5.97 6.46 -1.87 -3.42 115.31 114.57 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 0.40 0.00 -0.36 0.00 -0.73 0.00 0.00 40.66 39.97 2hw0 h LEU 39 CO 0.00 0.62 -0.83 -0.36 -0.62 0.00 0.00 178.44 177.26 2hw0 s PHE 40 N -3.45 2.40 0.61 1.25 0.40 -0.87 -2.59 117.98 115.72 2hw0 s PHE 40 Ca -0.00 -1.47 0.30 0.00 -0.60 0.00 0.00 56.93 55.16 2hw0 s PHE 40 Cb 0.12 -1.67 1.65 0.00 0.51 0.00 0.00 43.02 43.63 2hw0 s PHE 40 CO 0.75 -0.73 2.02 -0.44 0.70 0.00 0.00 175.22 177.53 2hw0 h ASP 41 N 8.00 0.00 -3.15 1.36 3.32 -1.66 -3.39 116.42 120.90 2hw0 h ASP 41 Ca -0.35 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.46 2hw0 h ASP 41 Cb 1.12 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.34 2hw0 h ASP 41 CO 0.52 0.00 -0.57 -0.47 -1.72 0.00 0.00 179.24 177.01 2hw0 s TYR 42 N -4.47 -0.27 -0.13 4.55 5.04 -1.24 -0.25 117.35 120.56 2hw0 s TYR 42 Ca -0.04 0.72 -0.02 0.00 -2.44 0.00 0.00 57.07 55.29 2hw0 s TYR 42 Cb 0.14 -0.10 0.04 0.00 0.35 0.00 0.00 41.96 42.39 2hw0 s TYR 42 CO 0.48 -0.26 -0.00 0.12 -1.34 0.00 0.00 175.55 174.54 2hw0 s PHE 43 N 1.88 1.06 -0.09 4.97 2.19 -1.00 -0.04 117.98 126.94 2hw0 s PHE 43 Ca -0.03 -0.62 -0.02 0.00 0.33 0.00 0.00 56.93 56.59 2hw0 s PHE 43 Cb -0.12 -1.01 0.04 0.00 -1.31 0.00 0.00 43.02 40.62 2hw0 s PHE 43 CO -0.07 -0.49 0.03 -1.50 1.83 0.00 0.00 175.22 175.01 2hw0 s ILE 44 N 1.85 0.23 -0.04 3.12 2.07 -0.38 -1.46 121.20 126.60 2hw0 s ILE 44 Ca 0.02 0.07 0.07 0.00 -1.41 0.00 0.00 60.65 59.40 2hw0 s ILE 44 Cb -0.14 -0.52 -0.01 0.00 0.13 0.00 0.00 42.46 41.91 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 1.96 -0.01 4.00 1.01 -0.41 0.05 120.40 129.02 2hw0 s VAL 45 Ca 0.04 -1.04 0.03 0.00 0.00 0.00 0.00 61.98 61.01 2hw0 s VAL 45 Cb -0.13 -1.64 -0.01 0.00 0.00 0.00 0.00 36.38 34.60 2hw0 s VAL 45 CO -0.05 0.55 -0.12 -0.83 0.00 0.00 0.00 175.10 174.65 2hw0 s GLY 46 N -0.39 0.58 -0.11 4.51 0.00 -0.66 -0.11 107.32 111.14 2hw0 s GLY 46 Ca 0.04 -0.49 -0.14 0.00 0.00 0.00 0.00 44.72 44.13 2hw0 s GLY 46 CO 0.01 -0.38 0.32 1.85 0.00 0.00 0.00 173.10 174.91 2hw0 s GLU 47 N -0.21 4.07 -0.30 2.90 -6.30 0.84 -2.30 118.70 117.40 2hw0 s GLU 47 Ca 0.03 0.19 0.01 0.00 -2.50 0.00 0.00 54.97 52.70 2hw0 s GLU 47 Cb -0.05 -3.34 0.07 0.00 0.00 0.00 0.00 34.13 30.80 2hw0 s GLU 47 CO -0.00 0.42 -0.01 -2.00 0.02 0.00 0.00 175.26 173.68 2hw0 s GLU 48 N -0.11 2.15 -0.00 4.30 2.12 -0.18 -3.78 118.70 123.19 2hw0 s GLU 48 Ca 0.19 -1.46 0.06 0.00 0.36 0.00 0.00 54.97 54.12 2hw0 s GLU 48 Cb -0.14 -3.12 0.10 0.00 0.26 0.00 0.00 34.13 31.23 2hw0 s GLU 48 CO 0.07 -0.70 1.04 0.41 -0.54 0.00 0.00 175.26 175.54 2hw0 n GLY 49 N 4.48 0.62 3.27 -1.50 0.00 -1.26 -0.23 105.19 110.57 2hw0 n GLY 49 Ca -0.09 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 2hw0 n GLY 49 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2hw0 n ASN 50 N 0.12 4.07 -2.92 1.61 4.05 -1.26 -4.63 115.26 116.29 2hw0 n ASN 50 Ca 0.01 -2.84 0.04 0.00 0.45 0.00 0.00 54.58 52.25 2hw0 n ASN 50 Cb 0.81 -1.65 0.00 0.00 1.23 0.00 0.00 39.78 40.17 2hw0 n ASN 50 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 177.26 172.60 2hw0 s GLU 51 N 4.33 0.02 0.41 1.20 2.02 -1.26 -5.13 118.70 120.30 2hw0 s GLU 51 Ca 0.54 0.01 -0.27 0.00 0.02 0.00 0.00 54.97 55.27 2hw0 s GLU 51 Cb 0.08 0.01 -0.10 0.00 0.10 0.00 0.00 34.13 34.21 2hw0 s GLU 51 CO 0.04 -0.04 1.46 -1.83 0.02 0.00 0.00 175.26 174.91 2hw0 s GLU 52 N 2.53 3.92 0.00 1.61 -1.05 -1.26 -2.12 118.70 122.33 2hw0 s GLU 52 Ca 0.24 2.50 0.00 0.00 -0.15 0.00 0.00 54.97 57.56 2hw0 s GLU 52 Cb 0.03 -2.83 0.00 0.00 -0.44 0.00 0.00 34.13 30.88 2hw0 s GLU 52 CO -0.20 -0.66 0.00 0.41 0.95 0.00 0.00 175.26 175.77 2hw0 n GLY 53 N 0.51 2.57 3.72 -3.83 0.00 -1.26 -5.02 105.19 101.88 2hw0 n GLY 53 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 2.39 0.48 1.61 3.52 -0.90 -5.13 118.95 120.39 2hw0 s ARG 54 Ca 0.00 -1.48 -0.06 0.00 -0.13 0.00 0.00 55.73 54.07 2hw0 s ARG 54 Cb 0.00 -2.20 -0.04 0.00 -1.56 0.00 0.00 34.95 31.15 2hw0 s ARG 54 CO 0.00 0.20 0.80 0.95 -0.81 0.00 0.00 175.30 176.44 2hw0 s THR 55 N -2.38 4.89 0.85 4.11 -4.23 -1.26 -4.91 115.64 112.72 2hw0 s THR 55 Ca 0.36 0.27 -0.11 0.00 -1.18 0.00 0.00 61.69 61.02 2hw0 s THR 55 Cb -0.04 -3.86 0.10 0.00 1.34 0.00 0.00 72.50 70.05 2hw0 s THR 55 CO 0.22 -0.84 1.09 -2.16 -0.54 0.00 0.00 174.62 172.39 2hw0 s PRO 56 N -4.69 1.63 -0.01 3.99 0.04 -1.26 -4.77 135.00 129.93 2hw0 s PRO 56 Ca 0.48 0.95 -0.00 0.00 0.04 0.00 0.00 61.00 62.46 2hw0 s PRO 56 Cb -0.10 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2hw0 s PRO 56 CO 0.44 -2.02 0.01 -1.58 0.04 0.00 0.00 177.00 173.90 2hw0 s HIS 57 N -2.92 -0.01 -0.09 0.56 2.46 0.69 -0.10 115.29 115.88 2hw0 s HIS 57 Ca 0.63 0.04 -0.15 0.00 0.47 0.00 0.00 55.06 56.04 2hw0 s HIS 57 Cb -0.18 -0.02 -0.05 0.00 -0.13 0.00 0.00 32.58 32.20 2hw0 s HIS 57 CO 0.57 -0.02 0.38 -1.17 -2.47 0.00 0.00 174.74 172.03 2hw0 s LEU 58 N 0.13 4.35 -0.25 8.88 0.20 -0.23 -1.02 118.68 130.74 2hw0 s LEU 58 Ca -0.01 0.77 -0.03 0.00 0.69 0.00 0.00 54.13 55.54 2hw0 s LEU 58 Cb -0.02 -2.53 0.14 0.00 -0.43 0.00 0.00 46.19 43.35 2hw0 s LEU 58 CO -0.00 0.17 0.45 -1.58 -0.29 0.00 0.00 176.35 175.09 2hw0 s GLN 59 N -0.13 0.41 0.28 1.98 2.00 -0.97 -2.27 119.66 120.95 2hw0 s GLN 59 Ca 0.22 0.76 -0.10 0.00 -2.00 0.00 0.00 55.36 54.24 2hw0 s GLN 59 Cb -0.15 -0.06 0.00 0.00 0.80 0.00 0.00 33.01 33.60 2hw0 s GLN 59 CO 0.09 -0.56 0.48 0.20 -0.50 0.00 0.00 175.29 175.01 2hw0 s GLY 60 N 2.64 0.82 -0.01 2.59 0.00 -1.07 -1.65 107.32 110.65 2hw0 s GLY 60 Ca 0.12 -1.08 0.04 0.00 0.00 0.00 0.00 44.72 43.79 2hw0 s GLY 60 CO -0.17 -0.74 -0.12 -0.12 0.00 0.00 0.00 173.10 171.95 2hw0 s PHE 61 N -3.63 1.06 -0.05 1.90 5.36 0.11 -2.23 117.98 120.49 2hw0 s PHE 61 Ca 0.25 -0.21 -0.00 0.00 -0.96 0.00 0.00 56.93 56.01 2hw0 s PHE 61 Cb -0.01 -0.68 0.02 0.00 -0.34 0.00 0.00 43.02 42.02 2hw0 s PHE 61 CO 0.12 -0.02 -0.02 0.00 -1.46 0.00 0.00 175.22 173.85 2hw0 s ALA 62 N -0.31 0.64 -0.37 11.12 0.00 -0.75 -1.25 121.76 130.84 2hw0 s ALA 62 Ca 0.04 -0.06 -0.19 0.00 0.00 0.00 0.00 51.96 51.75 2hw0 s ALA 62 Cb -0.05 -0.54 0.01 0.00 0.00 0.00 0.00 23.12 22.54 2hw0 s ALA 62 CO -0.00 -0.20 0.58 1.21 0.00 0.00 0.00 175.76 177.34 2hw0 s ASN 63 N 1.36 6.35 0.09 0.00 3.84 0.94 -2.06 114.94 125.45 2hw0 s ASN 63 Ca -0.04 -0.05 -0.31 0.00 0.21 0.00 0.00 52.86 52.67 2hw0 s ASN 63 Cb -0.13 -2.30 -0.07 0.00 -0.55 0.00 0.00 41.25 38.20 2hw0 s ASN 63 CO -0.02 -0.58 1.36 -0.36 -2.79 0.00 0.00 177.10 174.70 2hw0 s PHE 64 N 2.58 3.21 0.57 0.43 0.08 0.10 -2.36 117.98 122.59 2hw0 s PHE 64 Ca 0.21 0.99 0.30 0.00 0.12 0.00 0.00 56.93 58.55 2hw0 s PHE 64 Cb -0.15 -3.63 1.82 0.00 -0.57 0.00 0.00 43.02 40.48 2hw0 s PHE 64 CO 0.15 -2.21 2.24 0.28 -0.10 0.00 0.00 175.22 175.58 2hw0 h VAL 65 N 4.41 0.49 -4.05 -0.44 2.07 -1.78 -3.42 116.25 113.53 2hw0 h VAL 65 Ca -0.41 -0.08 -0.26 0.00 0.82 0.00 0.00 66.70 66.77 2hw0 h VAL 65 Cb 1.21 1.05 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 2hw0 h VAL 65 CO 0.86 0.02 -0.21 2.29 0.02 0.00 0.00 177.57 180.55 2hw0 n LYS 66 N -3.76 1.04 -3.07 1.57 0.00 -1.26 -4.99 118.16 107.68 2hw0 n LYS 66 Ca -0.03 -1.56 -0.40 0.00 -0.00 0.00 0.00 58.31 56.32 2hw0 n LYS 66 Cb 0.10 0.68 -0.05 0.00 -0.00 0.00 0.00 35.03 35.76 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 -2.73 4.24 0.06 -1.58 -0.14 -1.26 -4.23 119.74 114.10 2hw0 s LYS 67 Ca 0.06 0.70 0.02 0.00 -1.36 0.00 0.00 55.97 55.39 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 0.04 -0.25 -0.08 -0.65 -0.76 0.00 0.00 175.35 173.65 2hw0 s GLN 68 N 1.92 0.66 0.54 1.68 -1.52 -0.97 -4.88 119.66 117.09 2hw0 s GLN 68 Ca 0.31 -0.96 0.04 0.00 -1.95 0.00 0.00 55.36 52.80 2hw0 s GLN 68 Cb -0.16 -0.34 0.04 0.00 -0.22 0.00 0.00 33.01 32.33 2hw0 s GLN 68 CO 0.11 0.05 0.74 0.95 -0.25 0.00 0.00 175.29 176.89 2hw0 s THR 69 N -2.04 2.65 0.06 -0.19 -4.23 -1.26 -1.49 115.64 109.15 2hw0 s THR 69 Ca -0.02 -0.78 -0.28 0.00 -1.18 0.00 0.00 61.69 59.43 2hw0 s THR 69 Cb -0.05 -2.87 -0.17 0.00 1.34 0.00 0.00 72.50 70.74 2hw0 s THR 69 CO -0.01 0.00 1.56 0.15 -0.54 0.00 0.00 174.62 175.78 2hw0 h PHE 70 N 0.17 -0.47 -0.81 3.99 3.57 -1.97 0.29 116.94 121.71 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 0.16 -0.04 0.00 2.79 0.00 0.00 35.95 40.14 2hw0 h PHE 70 CO 0.32 -0.24 0.46 -0.97 -2.23 0.00 0.00 178.31 175.65 2hw0 h ASN 71 N -0.60 1.00 -0.02 0.41 -0.73 -2.00 -2.61 115.58 111.04 2hw0 h ASN 71 Ca -0.05 -0.09 -0.00 0.00 1.87 0.00 0.00 56.30 58.03 2hw0 h ASN 71 Cb 0.44 -0.25 -0.00 0.00 0.27 0.00 0.00 38.32 38.78 2hw0 h ASN 71 CO 0.09 0.80 0.00 0.50 -0.37 0.00 0.00 177.43 178.45 2hw0 h LYS 72 N 1.12 0.03 -0.35 6.67 3.11 -1.93 -2.62 116.57 122.61 2hw0 h LYS 72 Ca 0.29 -0.01 0.10 0.00 -2.81 0.00 0.00 60.65 58.22 2hw0 h LYS 72 Cb 0.01 -0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 2hw0 h LYS 72 CO -0.05 0.26 0.38 0.28 -2.81 0.00 0.00 179.45 177.51 2hw0 h VAL 73 N -0.21 0.39 0.00 2.00 2.07 -0.24 0.35 116.25 120.61 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 0.24 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 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 -3.73 0.06 0.27 1.57 5.02 -0.99 -1.68 118.16 118.69 2hw0 n LYS 74 Ca 0.06 0.43 0.17 0.00 -2.02 0.00 0.00 58.31 56.95 2hw0 n LYS 74 Cb 0.54 -1.65 0.65 0.00 -0.02 0.00 0.00 35.03 34.55 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 -0.42 -0.49 115.95 122.25 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 0.15 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.28 2hw0 h TRP 75 CO 0.00 0.00 -1.42 0.66 -1.28 0.00 0.00 178.44 176.40 2hw0 n TYR 76 N -3.09 0.00 -0.02 0.12 4.01 -0.68 -4.72 117.16 112.77 2hw0 n TYR 76 Ca 0.01 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.65 2hw0 n TYR 76 Cb 0.32 -0.32 0.06 0.00 -0.31 0.00 0.00 39.34 39.09 2hw0 n TYR 76 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2hw0 h LEU 77 N -0.33 0.69 0.00 7.72 3.38 -1.55 -3.47 115.31 121.76 2hw0 h LEU 77 Ca -0.21 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.42 2hw0 h LEU 77 Cb 1.14 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2hw0 h LEU 77 CO -0.13 1.05 0.00 0.61 0.09 0.00 0.00 178.44 180.06 2hw0 n GLY 78 N 0.14 0.30 0.15 0.83 0.00 -0.19 -4.59 105.19 101.82 2hw0 n GLY 78 Ca -0.03 -1.60 0.03 0.00 0.00 0.00 0.00 46.02 44.42 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 0.00 0.81 -0.94 4.61 0.00 -1.97 -3.21 119.26 118.57 2hw0 h ALA 79 Ca 0.00 -0.46 0.19 0.00 0.00 0.00 0.00 54.91 54.63 2hw0 h ALA 79 Cb 0.00 -0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.63 2hw0 h ALA 79 CO 0.00 0.64 0.60 0.00 0.00 0.00 0.00 179.25 180.49 2hw0 h ARG 80 N 0.00 0.58 -5.74 0.00 3.08 -1.95 -3.40 114.38 106.96 2hw0 h ARG 80 Ca -0.01 -0.03 -0.67 0.00 0.07 0.00 0.00 59.98 59.34 2hw0 h ARG 80 Cb 1.17 -0.13 -0.10 0.00 0.08 0.00 0.00 29.97 31.00 2hw0 h ARG 80 CO 0.07 0.38 -0.53 0.00 -1.07 0.00 0.00 179.97 178.82 2hw0 s HIS 82 N -0.95 3.37 0.05 0.00 2.46 -0.50 -4.82 115.29 114.90 2hw0 s HIS 82 Ca 0.14 1.38 0.07 0.00 0.47 0.00 0.00 55.06 57.13 2hw0 s HIS 82 Cb -0.12 -3.33 -0.03 0.00 -0.13 0.00 0.00 32.58 28.97 2hw0 s HIS 82 CO 0.03 -0.88 -0.18 0.96 -2.47 0.00 0.00 174.74 172.20 2hw0 s ILE 83 N 1.83 2.77 0.16 0.89 -4.36 -1.26 -0.48 121.20 120.75 2hw0 s ILE 83 Ca 0.54 -1.25 -0.11 0.00 -0.26 0.00 0.00 60.65 59.58 2hw0 s ILE 83 Cb -0.23 -2.18 0.00 0.00 1.25 0.00 0.00 42.46 41.30 2hw0 s ILE 83 CO 0.23 0.30 0.32 -0.70 0.24 0.00 0.00 174.94 175.33 2hw0 s GLU 84 N -1.54 1.15 0.10 0.37 -6.30 -0.74 -4.97 118.70 106.78 2hw0 s GLU 84 Ca 0.15 -1.07 -0.30 0.00 -2.50 0.00 0.00 54.97 51.25 2hw0 s GLU 84 Cb -0.10 0.40 -0.06 0.00 0.00 0.00 0.00 34.13 34.37 2hw0 s GLU 84 CO 0.06 -0.43 1.10 -1.59 0.02 0.00 0.00 175.26 174.41 2hw0 s LYS 85 N -3.93 4.55 0.48 4.30 -2.85 -1.26 -0.14 119.74 120.88 2hw0 s LYS 85 Ca 0.13 1.66 -0.08 0.00 -1.00 0.00 0.00 55.97 56.68 2hw0 s LYS 85 Cb 0.03 -3.34 -0.05 0.00 -2.06 0.00 0.00 37.83 32.41 2hw0 s LYS 85 CO -0.03 -0.04 0.83 0.00 0.10 0.00 0.00 175.35 176.21 2hw0 s ALA 86 N 0.42 3.32 -0.00 0.59 0.00 -1.26 -4.86 121.76 119.96 2hw0 s ALA 86 Ca 0.53 -0.31 -0.01 0.00 0.00 0.00 0.00 51.96 52.16 2hw0 s ALA 86 Cb -0.27 -2.73 -0.00 0.00 0.00 0.00 0.00 23.12 20.12 2hw0 s ALA 86 CO 0.31 -0.30 0.02 -1.59 0.00 0.00 0.00 175.76 174.21 2hw0 s LYS 87 N -4.51 0.12 0.00 0.00 -2.85 -1.26 -4.97 119.74 106.28 2hw0 s LYS 87 Ca 0.50 -0.13 0.00 0.00 -1.00 0.00 0.00 55.97 55.35 2hw0 s LYS 87 Cb -0.10 0.05 0.00 0.00 -2.06 0.00 0.00 37.83 35.72 2hw0 s LYS 87 CO 0.42 -0.02 0.00 0.41 0.10 0.00 0.00 175.35 176.26 2hw0 n GLY 88 N 2.64 0.43 3.95 0.59 0.00 -1.26 -4.73 105.19 106.82 2hw0 n GLY 88 Ca -0.15 -2.31 -0.26 0.00 0.00 0.00 0.00 46.02 43.30 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 -0.89 2.18 0.28 2.61 -4.23 -1.26 -4.41 115.64 109.91 2hw0 s THR 89 Ca 0.00 -0.34 0.01 0.00 -1.18 0.00 0.00 61.69 60.18 2hw0 s THR 89 Cb 0.00 -2.84 0.27 0.00 1.34 0.00 0.00 72.50 71.27 2hw0 s THR 89 CO 0.00 0.00 1.82 -0.78 -0.54 0.00 0.00 174.62 175.12 2hw0 h ASP 90 N -0.80 0.85 -0.02 3.99 3.58 -1.93 0.02 116.42 122.12 2hw0 h ASP 90 Ca -0.41 0.06 -0.13 0.00 0.42 0.00 0.00 57.03 56.96 2hw0 h ASP 90 Cb 1.28 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.21 2hw0 h ASP 90 CO 0.47 0.44 -0.42 -0.61 -2.88 0.00 0.00 179.24 176.24 2hw0 h GLN 91 N 0.92 0.55 -0.50 0.28 5.75 -1.93 0.01 115.11 120.18 2hw0 h GLN 91 Ca 0.49 -0.28 -0.10 0.00 -0.15 0.00 0.00 58.65 58.60 2hw0 h GLN 91 Cb 0.52 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 29.07 2hw0 h GLN 91 CO -0.28 0.87 -0.09 1.96 -2.65 0.00 0.00 178.83 178.64 2hw0 h GLN 92 N 0.45 0.94 -0.04 1.69 7.50 -1.46 0.52 115.11 124.71 2hw0 h GLN 92 Ca 0.04 -0.35 -0.09 0.00 0.50 0.00 0.00 58.65 58.75 2hw0 h GLN 92 Cb 0.92 -0.06 0.01 0.00 0.05 0.00 0.00 27.48 28.40 2hw0 h GLN 92 CO 0.08 1.01 -0.34 -0.91 -1.50 0.00 0.00 178.83 177.17 2hw0 h ASN 93 N 0.80 0.37 -0.26 1.46 -0.26 -1.00 -1.33 115.58 115.36 2hw0 h ASN 93 Ca 0.13 -0.70 -0.01 0.00 -0.56 0.00 0.00 56.30 55.17 2hw0 h ASN 93 Cb 0.64 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.78 2hw0 h ASN 93 CO 0.04 1.01 0.14 0.50 -1.06 0.00 0.00 177.43 178.06 2hw0 h LYS 94 N -0.24 0.37 -0.32 0.81 3.64 -1.00 -2.52 116.57 117.31 2hw0 h LYS 94 Ca -0.03 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.20 2hw0 h LYS 94 Cb 1.03 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 2hw0 h LYS 94 CO 0.07 0.34 -0.22 1.49 -2.27 0.00 0.00 179.45 178.86 2hw0 h GLU 95 N 0.30 0.60 -0.44 1.90 4.57 -0.98 -2.60 114.58 117.93 2hw0 h GLU 95 Ca 0.09 -0.23 0.05 0.00 -1.18 0.00 0.00 59.36 58.09 2hw0 h GLU 95 Cb 0.08 -0.04 -0.04 0.00 -0.16 0.00 0.00 28.75 28.59 2hw0 h GLU 95 CO -0.01 0.78 0.19 -0.92 -1.18 0.00 0.00 179.01 177.87 2hw0 h TYR 96 N 0.54 0.34 -0.25 0.92 5.03 -0.95 0.28 116.97 122.88 2hw0 h TYR 96 Ca 0.08 0.02 -0.11 0.00 2.58 0.00 0.00 58.73 61.30 2hw0 h TYR 96 Cb 0.67 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.85 2hw0 h TYR 96 CO 0.03 0.15 -0.30 0.00 -1.32 0.00 0.00 178.16 176.72 2hw0 n SER 98 N -4.09 0.49 0.28 0.00 2.88 -0.75 -3.31 113.62 109.13 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 -0.69 0.96 0.00 -0.75 0.00 0.00 64.21 64.18 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 0.20 116.57 118.98 2hw0 h LYS 99 Ca 0.00 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2hw0 h LYS 99 Cb 0.59 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2hw0 h LYS 99 CO 0.00 0.00 -0.04 0.93 -2.27 0.00 0.00 179.45 178.07 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 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2hw0 h GLU 100 CO -0.00 0.04 0.00 0.41 -1.00 0.00 0.00 179.01 178.46 2hw0 n GLY 101 N 0.31 1.27 2.87 -3.84 0.00 0.69 -4.80 105.19 101.70 2hw0 n GLY 101 Ca 0.01 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.13 1.22 -0.20 1.61 2.47 -1.25 -5.07 114.94 110.59 2hw0 s ASN 102 Ca 0.00 -0.14 -0.10 0.00 0.42 0.00 0.00 52.86 53.05 2hw0 s ASN 102 Cb 0.00 -0.49 -0.05 0.00 -1.45 0.00 0.00 41.25 39.26 2hw0 s ASN 102 CO 0.00 -0.09 0.12 -0.76 -3.72 0.00 0.00 177.10 172.65 2hw0 s LEU 103 N 1.19 4.12 -0.13 3.21 2.01 -1.26 -0.11 118.68 127.71 2hw0 s LEU 103 Ca -0.07 0.19 0.17 0.00 0.01 0.00 0.00 54.13 54.43 2hw0 s LEU 103 Cb -0.14 -2.07 -0.24 0.00 0.01 0.00 0.00 46.19 43.75 2hw0 s LEU 103 CO -0.02 0.17 0.29 -0.11 1.01 0.00 0.00 176.35 177.70 2hw0 n LEU 104 N 3.60 0.26 -3.63 1.79 7.94 0.84 -4.68 117.00 123.11 2hw0 n LEU 104 Ca -0.16 0.12 -0.12 0.00 -1.11 0.00 0.00 56.01 54.74 2hw0 n LEU 104 Cb 0.52 0.35 -0.07 0.00 0.53 0.00 0.00 43.42 44.75 2hw0 n LEU 104 CO 0.36 0.40 0.40 -0.32 -1.11 0.00 0.00 177.39 177.13 2hw0 s MET 105 N -2.64 0.79 -0.25 1.96 0.00 -0.56 -4.95 119.30 113.66 2hw0 s MET 105 Ca -0.08 1.07 -0.01 0.00 0.00 0.00 0.00 55.69 56.67 2hw0 s MET 105 Cb 0.07 0.32 0.08 0.00 0.00 0.00 0.00 34.83 35.30 2hw0 s MET 105 CO 0.83 -0.12 0.05 -2.00 0.00 0.00 0.00 175.02 173.78 2hw0 s GLU 106 N 0.79 0.84 0.34 4.11 2.12 -1.26 -1.29 118.70 124.35 2hw0 s GLU 106 Ca -0.03 -0.79 -0.09 0.00 0.36 0.00 0.00 54.97 54.42 2hw0 s GLU 106 Cb -0.05 -2.15 0.02 0.00 0.26 0.00 0.00 34.13 32.21 2hw0 s GLU 106 CO -0.06 -0.78 0.58 0.00 -0.54 0.00 0.00 175.26 174.46 2hw0 n GLY 108 N -0.52 -2.20 3.68 0.00 0.00 -1.26 -2.37 105.19 102.51 2hw0 n GLY 108 Ca -0.02 -1.49 -0.26 0.00 0.00 0.00 0.00 46.02 44.25 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 -1.11 3.24 -1.02 4.61 0.00 0.65 -4.80 121.76 123.33 2hw0 s ALA 109 Ca 0.00 -1.38 -0.24 0.00 0.00 0.00 0.00 51.96 50.34 2hw0 s ALA 109 Cb 0.00 -1.02 -0.06 0.00 0.00 0.00 0.00 23.12 22.04 2hw0 s ALA 109 CO 0.00 0.46 1.94 -1.25 0.00 0.00 0.00 175.76 176.91 2hw0 s PRO 110 N -3.06 2.53 0.18 0.00 0.04 -1.26 -4.40 135.00 129.04 2hw0 s PRO 110 Ca 0.28 -0.65 0.11 0.00 0.04 0.00 0.00 61.00 60.78 2hw0 s PRO 110 Cb -0.09 -5.14 -0.04 0.00 0.04 0.00 0.00 34.50 29.27 2hw0 s PRO 110 CO 0.19 -3.62 -0.23 -0.98 0.04 0.00 0.00 177.00 172.40 2hw0 s ARG 111 N 6.78 1.45 0.04 4.56 1.70 -1.26 -4.98 118.95 127.25 2hw0 s ARG 111 Ca 0.69 -1.48 0.00 0.00 -0.47 0.00 0.00 55.73 54.48 2hw0 s ARG 111 Cb -0.04 -1.73 0.00 0.00 -0.57 0.00 0.00 34.95 32.61 2hw0 s ARG 111 CO 0.05 0.37 0.00 -1.13 -1.08 0.00 0.00 175.30 173.52 2hw0 n SER 112 N 0.34 2.00 -4.51 -2.89 3.41 -1.26 -4.30 113.62 106.41 2hw0 n SER 112 Ca -0.13 -1.19 -0.48 0.00 -0.26 0.00 0.00 58.87 56.81 2hw0 n SER 112 Cb 0.56 0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.48 2hw0 n SER 112 CO 0.00 0.00 0.00 1.67 -0.16 0.00 0.00 175.04 176.55 2hw0 n GLN 113 N -0.17 1.45 -2.41 4.33 7.27 -1.26 -4.91 117.38 121.68 2hw0 n GLN 113 Ca -0.02 0.40 -0.38 0.00 0.07 0.00 0.00 57.00 57.08 2hw0 n GLN 113 Cb 0.06 -2.75 -0.03 0.00 2.41 0.00 0.00 30.24 29.92 2hw0 n GLN 113 CO 0.00 0.00 0.00 0.20 0.07 0.00 0.00 177.06 177.33 2hw0 s GLY 114 N 7.52 2.87 0.12 1.69 0.00 -1.26 -4.81 107.32 113.45 2hw0 s GLY 114 Ca 1.06 0.87 0.00 0.00 0.00 0.00 0.00 44.72 46.65 2hw0 s GLY 114 CO 0.44 1.38 0.00 -0.18 0.00 0.00 0.00 173.10 174.74 2hw0 n GLN 115 N 0.28 0.00 0.00 2.90 7.27 -1.26 -5.07 117.38 121.50 2hw0 n GLN 115 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.10 2hw0 n GLN 115 Cb 0.47 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.12 2hw0 n GLN 115 CO 0.00 0.00 0.00 2.89 0.07 0.00 0.00 177.06 180.02