#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 0.00 -3.03 3.54 3.41 -1.26 -5.05 113.62 111.23 2hw0 n SER 3 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.48 2hw0 n SER 3 Cb 0.00 0.02 0.06 0.00 -0.26 0.00 0.00 64.21 64.03 2hw0 n SER 3 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2hw0 n LYS 4 N -1.37 -2.07 -2.90 4.33 5.02 -1.26 -4.94 118.16 114.97 2hw0 n LYS 4 Ca 0.00 0.76 -0.43 0.00 -2.02 0.00 0.00 58.31 56.61 2hw0 n LYS 4 Cb 0.00 -5.29 -0.04 0.00 -0.02 0.00 0.00 35.03 29.69 2hw0 n LYS 4 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2hw0 s LYS 5 N -4.24 3.24 -0.17 1.97 2.20 -1.26 -4.99 119.74 116.49 2hw0 s LYS 5 Ca 0.39 -1.14 0.01 0.00 -0.36 0.00 0.00 55.97 54.86 2hw0 s LYS 5 Cb -0.05 -4.44 0.03 0.00 -1.51 0.00 0.00 37.83 31.86 2hw0 s LYS 5 CO 0.64 -1.78 -0.14 -0.80 -0.36 0.00 0.00 175.35 172.91 2hw0 s ASN 6 N 3.68 3.06 -0.21 1.43 0.01 -1.26 -5.00 114.94 116.65 2hw0 s ASN 6 Ca 0.24 -0.67 -0.08 0.00 -0.71 0.00 0.00 52.86 51.64 2hw0 s ASN 6 Cb -0.14 -1.28 -0.10 0.00 0.41 0.00 0.00 41.25 40.14 2hw0 s ASN 6 CO 0.04 -0.07 -0.25 0.61 -1.51 0.00 0.00 177.10 175.92 2hw0 n GLY 7 N 4.70 -0.33 3.78 0.66 0.00 -1.26 -4.99 105.19 107.76 2hw0 n GLY 7 Ca -0.17 -0.11 -0.38 0.00 0.00 0.00 0.00 46.02 45.36 2hw0 n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2hw0 s ARG 8 N -2.39 4.54 -0.29 1.61 1.70 -1.26 -5.05 118.95 117.80 2hw0 s ARG 8 Ca -0.29 1.20 -0.19 0.00 -0.47 0.00 0.00 55.73 55.98 2hw0 s ARG 8 Cb 0.10 -2.97 0.16 0.00 -0.57 0.00 0.00 34.95 31.67 2hw0 s ARG 8 CO 0.39 0.39 1.11 0.45 -1.08 0.00 0.00 175.30 176.57 2hw0 s SER 9 N -1.48 -0.34 0.00 -2.89 0.15 -1.26 -5.10 113.70 102.78 2hw0 s SER 9 Ca 0.44 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.67 2hw0 s SER 9 Cb -0.20 0.93 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 2hw0 s SER 9 CO 0.25 -0.09 0.00 0.61 1.20 0.00 0.00 173.24 175.20 2hw0 n GLY 10 N 2.91 -2.19 3.77 9.45 0.00 -1.26 -5.14 105.19 112.73 2hw0 n GLY 10 Ca -0.16 0.70 -0.39 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.53 4.17 0.19 1.61 0.04 -1.26 -5.06 135.00 134.17 2hw0 s PRO 11 Ca 0.00 1.94 0.06 0.00 0.04 0.00 0.00 61.00 63.04 2hw0 s PRO 11 Cb 0.00 -2.82 -0.05 0.00 0.04 0.00 0.00 34.50 31.67 2hw0 s PRO 11 CO 0.00 -0.25 -0.12 -0.65 0.04 0.00 0.00 177.00 176.03 2hw0 s GLN 12 N -2.09 1.23 0.47 4.56 -0.21 -1.26 -5.10 119.66 117.26 2hw0 s GLN 12 Ca 0.54 -1.55 -0.22 0.00 0.02 0.00 0.00 55.36 54.15 2hw0 s GLN 12 Cb -0.33 -0.89 -0.07 0.00 1.00 0.00 0.00 33.01 32.71 2hw0 s GLN 12 CO 0.43 0.12 1.16 -1.25 -2.12 0.00 0.00 175.29 173.62 2hw0 s PRO 13 N -3.70 3.69 0.35 2.91 0.04 -1.26 -4.89 135.00 132.15 2hw0 s PRO 13 Ca 0.21 1.74 0.06 0.00 0.04 0.00 0.00 61.00 63.04 2hw0 s PRO 13 Cb 0.01 -2.34 -0.03 0.00 0.04 0.00 0.00 34.50 32.19 2hw0 s PRO 13 CO 0.05 -0.60 0.22 -1.01 0.04 0.00 0.00 177.00 175.70 2hw0 s HIS 14 N -1.59 1.73 -1.80 0.56 3.76 -0.45 -4.72 115.29 112.79 2hw0 s HIS 14 Ca 0.65 -1.52 0.19 0.00 -0.15 0.00 0.00 55.06 54.24 2hw0 s HIS 14 Cb -0.28 -0.86 0.48 0.00 1.11 0.00 0.00 32.58 33.03 2hw0 s HIS 14 CO 0.33 -0.66 1.40 0.36 -0.85 0.00 0.00 174.74 175.32 2hw0 n LYS 15 N -0.71 2.60 -4.16 1.40 0.00 -1.26 -2.30 118.16 113.73 2hw0 n LYS 15 Ca 0.02 -2.35 -0.26 0.00 -0.00 0.00 0.00 58.31 55.72 2hw0 n LYS 15 Cb 0.63 -1.46 -0.17 0.00 -0.00 0.00 0.00 35.03 34.03 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 -1.11 1.67 -0.09 -1.58 0.52 -1.26 0.10 118.95 117.20 2hw0 s ARG 16 Ca 0.38 -0.34 -0.06 0.00 -0.52 0.00 0.00 55.73 55.19 2hw0 s ARG 16 Cb 0.21 -1.58 0.03 0.00 0.52 0.00 0.00 34.95 34.13 2hw0 s ARG 16 CO 0.28 -0.16 0.22 -1.58 0.02 0.00 0.00 175.30 174.07 2hw0 s TRP 17 N 1.31 -0.26 0.24 -0.53 0.52 -1.00 -3.99 118.94 115.23 2hw0 s TRP 17 Ca -0.02 0.63 0.09 0.00 0.02 0.00 0.00 56.10 56.82 2hw0 s TRP 17 Cb -0.14 0.05 -0.04 0.00 -1.15 0.00 0.00 33.47 32.19 2hw0 s TRP 17 CO -0.04 -0.16 -0.02 0.14 0.02 0.00 0.00 176.95 176.89 2hw0 s VAL 18 N 0.60 3.46 0.02 4.03 -7.23 0.86 -1.64 120.40 120.50 2hw0 s VAL 18 Ca -0.04 -1.81 0.03 0.00 -1.81 0.00 0.00 61.98 58.35 2hw0 s VAL 18 Cb -0.05 -2.81 -0.02 0.00 0.56 0.00 0.00 36.38 34.06 2hw0 s VAL 18 CO -0.03 -0.30 -0.09 0.72 -0.31 0.00 0.00 175.10 175.09 2hw0 s PHE 19 N -2.16 0.77 -0.14 2.82 -0.71 -1.00 -1.79 117.98 115.77 2hw0 s PHE 19 Ca 0.30 -0.30 -0.07 0.00 -1.04 0.00 0.00 56.93 55.82 2hw0 s PHE 19 Cb -0.07 -0.47 0.06 0.00 -1.21 0.00 0.00 43.02 41.32 2hw0 s PHE 19 CO 0.19 -0.02 0.33 0.95 -1.34 0.00 0.00 175.22 175.33 2hw0 s THR 20 N -0.73 -0.11 -0.01 -4.49 -4.23 -0.62 -2.54 115.64 102.90 2hw0 s THR 20 Ca -0.02 0.14 -0.00 0.00 -1.18 0.00 0.00 61.69 60.62 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 0.06 0.03 -0.22 -0.54 0.00 0.00 174.62 173.95 2hw0 s LEU 21 N 1.53 1.54 -0.04 4.79 2.96 -0.83 -1.98 118.68 126.65 2hw0 s LEU 21 Ca -0.08 0.05 -0.25 0.00 -0.22 0.00 0.00 54.13 53.62 2hw0 s LEU 21 Cb -0.10 0.02 -0.04 0.00 0.50 0.00 0.00 46.19 46.57 2hw0 s LEU 21 CO -0.11 -0.06 0.78 0.21 -1.32 0.00 0.00 176.35 175.85 2hw0 s ASN 22 N 0.49 7.11 -0.89 3.68 3.84 -1.26 -0.33 114.94 127.58 2hw0 s ASN 22 Ca -0.04 1.34 -0.06 0.00 0.21 0.00 0.00 52.86 54.31 2hw0 s ASN 22 Cb -0.06 -2.46 -0.01 0.00 -0.55 0.00 0.00 41.25 38.18 2hw0 s ASN 22 CO -0.01 -0.14 0.71 -3.20 -2.79 0.00 0.00 177.10 171.67 2hw0 n ASN 23 N 3.70 -6.17 -4.77 -4.21 4.05 0.93 -4.93 115.26 103.86 2hw0 n ASN 23 Ca 0.01 -0.64 -0.36 0.00 0.45 0.00 0.00 54.58 54.03 2hw0 n ASN 23 Cb 0.51 -3.67 -0.00 0.00 1.23 0.00 0.00 39.78 37.85 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 -4.50 3.57 0.41 1.20 0.04 -1.26 -5.02 135.00 129.45 2hw0 s PRO 24 Ca 0.16 1.69 -0.06 0.00 0.04 0.00 0.00 61.00 62.84 2hw0 s PRO 24 Cb -0.05 -2.22 -0.05 0.00 0.04 0.00 0.00 34.50 32.23 2hw0 s PRO 24 CO 0.83 -0.69 0.71 0.45 0.04 0.00 0.00 177.00 178.34 2hw0 s SER 25 N -1.56 6.36 0.50 6.66 0.15 -1.26 -4.89 113.70 119.66 2hw0 s SER 25 Ca 0.68 0.89 0.16 0.00 0.70 0.00 0.00 55.95 58.37 2hw0 s SER 25 Cb -0.26 -2.22 1.19 0.00 -1.71 0.00 0.00 66.02 63.01 2hw0 s SER 25 CO 0.31 -0.44 2.10 -0.33 1.20 0.00 0.00 173.24 176.08 2hw0 h GLU 26 N 0.79 0.00 0.01 5.44 5.08 -1.98 0.21 114.58 124.13 2hw0 h GLU 26 Ca -0.47 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 57.71 2hw0 h GLU 26 Cb 1.20 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.46 2hw0 h GLU 26 CO 0.63 0.06 -0.68 -0.44 -1.00 0.00 0.00 179.01 177.58 2hw0 h ASP 27 N 0.00 0.59 -0.04 1.42 3.32 -1.98 -2.41 116.42 117.31 2hw0 h ASP 27 Ca -0.00 -0.76 -0.02 0.00 0.02 0.00 0.00 57.03 56.26 2hw0 h ASP 27 Cb 0.11 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.48 2hw0 h ASP 27 CO 0.01 1.28 -0.05 -0.08 -1.72 0.00 0.00 179.24 178.68 2hw0 h GLU 28 N -0.03 0.11 -0.59 3.56 4.22 -1.84 -2.10 114.58 117.91 2hw0 h GLU 28 Ca -0.09 -0.06 0.01 0.00 0.08 0.00 0.00 59.36 59.30 2hw0 h GLU 28 Cb 1.39 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.62 2hw0 h GLU 28 CO 0.13 0.58 0.39 -0.09 -2.18 0.00 0.00 179.01 177.85 2hw0 h ARG 29 N -0.35 0.78 -0.20 1.92 2.43 -0.72 -1.83 114.38 116.42 2hw0 h ARG 29 Ca 0.01 -0.05 -0.14 0.00 -0.81 0.00 0.00 59.98 58.99 2hw0 h ARG 29 Cb 0.56 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 2hw0 h ARG 29 CO 0.01 0.52 -0.47 0.87 -1.51 0.00 0.00 179.97 179.39 2hw0 h LYS 30 N 0.80 0.52 0.21 0.20 1.79 -1.40 -1.72 116.57 116.97 2hw0 h LYS 30 Ca 0.22 -0.29 -0.01 0.00 -2.18 0.00 0.00 60.65 58.39 2hw0 h LYS 30 Cb -0.09 0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.58 2hw0 h LYS 30 CO -0.05 0.88 -0.10 -0.22 -1.08 0.00 0.00 179.45 178.88 2hw0 h LYS 31 N 0.41 -0.27 -0.59 3.15 3.64 -0.62 0.34 116.57 122.64 2hw0 h LYS 31 Ca 0.02 0.02 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 2hw0 h LYS 31 Cb 0.98 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.84 2hw0 h LYS 31 CO 0.09 -0.13 0.07 0.82 -2.27 0.00 0.00 179.45 178.02 2hw0 h ILE 32 N -0.33 1.26 0.00 2.00 2.04 -1.48 -2.03 117.51 118.97 2hw0 h ILE 32 Ca -0.03 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.78 2hw0 h ILE 32 Cb 0.25 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2hw0 h ILE 32 CO 0.05 0.38 -0.06 -0.09 0.00 0.00 0.00 178.15 178.43 2hw0 h ARG 33 N 0.90 0.00 -0.59 2.37 2.43 -1.18 -2.32 114.38 116.00 2hw0 h ARG 33 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2hw0 h ARG 33 Cb 0.46 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.01 2hw0 h ARG 33 CO 0.02 0.06 0.00 -3.47 -1.51 0.00 0.00 179.97 175.06 2hw0 n ASP 34 N -3.18 3.52 -4.71 -3.80 2.03 0.12 -4.98 116.55 105.55 2hw0 n ASP 34 Ca 0.00 -1.99 -0.31 0.00 0.52 0.00 0.00 54.79 53.02 2hw0 n ASP 34 Cb 0.34 -0.39 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 -1.15 2.86 -0.11 -2.67 1.43 -0.81 -4.93 118.68 113.29 2hw0 s LEU 35 Ca 0.43 1.98 -0.29 0.00 -1.03 0.00 0.00 54.13 55.22 2hw0 s LEU 35 Cb 0.23 -4.49 -0.04 0.00 0.03 0.00 0.00 46.19 41.92 2hw0 s LEU 35 CO 0.31 -2.63 1.54 -2.16 0.23 0.00 0.00 176.35 173.64 2hw0 s PRO 36 N -4.77 4.13 0.25 1.29 0.04 -1.26 -4.91 135.00 129.77 2hw0 s PRO 36 Ca 0.64 1.95 0.02 0.00 0.04 0.00 0.00 61.00 63.65 2hw0 s PRO 36 Cb -0.20 -3.93 0.31 0.00 0.04 0.00 0.00 34.50 30.72 2hw0 s PRO 36 CO 0.57 -0.89 1.63 -0.84 0.04 0.00 0.00 177.00 177.52 2hw0 h ILE 37 N 5.65 1.31 0.00 0.56 3.07 -1.91 -2.66 117.51 123.53 2hw0 h ILE 37 Ca -0.35 -1.56 -0.00 0.00 1.55 0.00 0.00 64.86 64.50 2hw0 h ILE 37 Cb 1.15 1.61 -0.00 0.00 -0.27 0.00 0.00 36.82 39.31 2hw0 h ILE 37 CO 0.97 0.48 -0.02 -1.28 -1.05 0.00 0.00 178.15 177.25 2hw0 h SER 38 N 0.36 0.00 0.87 2.16 0.87 -1.99 -2.03 113.55 113.79 2hw0 h SER 38 Ca 0.03 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.45 2hw0 h SER 38 Cb 0.87 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.81 2hw0 h SER 38 CO 0.07 0.02 -0.66 0.25 -0.53 0.00 0.00 176.83 175.98 2hw0 h LEU 39 N 0.00 0.00 -7.77 2.23 6.46 -1.87 -3.42 115.31 110.94 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 0.31 0.00 -0.37 0.00 -0.73 0.00 0.00 40.66 39.87 2hw0 h LEU 39 CO 0.00 0.66 -0.81 -0.36 -0.62 0.00 0.00 178.44 177.31 2hw0 s PHE 40 N -3.29 2.29 0.55 1.25 0.40 -0.76 -2.63 117.98 115.79 2hw0 s PHE 40 Ca 0.00 -1.49 0.29 0.00 -0.60 0.00 0.00 56.93 55.13 2hw0 s PHE 40 Cb 0.11 -1.59 1.46 0.00 0.51 0.00 0.00 43.02 43.51 2hw0 s PHE 40 CO 0.76 -0.72 1.93 -0.44 0.70 0.00 0.00 175.22 177.45 2hw0 h ASP 41 N 8.00 0.00 -3.40 1.36 5.19 -1.65 -3.39 116.42 122.53 2hw0 h ASP 41 Ca -0.28 0.00 -0.36 0.00 -0.62 0.00 0.00 57.03 55.77 2hw0 h ASP 41 Cb 1.10 0.00 -0.36 0.00 0.18 0.00 0.00 39.33 40.25 2hw0 h ASP 41 CO 0.47 0.00 -0.74 -0.47 -3.12 0.00 0.00 179.24 175.37 2hw0 s TYR 42 N -4.89 0.22 -0.14 4.55 5.04 -1.24 -0.99 117.35 119.91 2hw0 s TYR 42 Ca -0.05 0.09 -0.02 0.00 -2.44 0.00 0.00 57.07 54.66 2hw0 s TYR 42 Cb 0.19 -0.46 0.04 0.00 0.35 0.00 0.00 41.96 42.08 2hw0 s TYR 42 CO 0.70 -0.17 0.00 0.12 -1.34 0.00 0.00 175.55 174.86 2hw0 s PHE 43 N 1.58 1.02 -0.09 4.97 2.19 -1.01 0.02 117.98 126.66 2hw0 s PHE 43 Ca -0.02 -0.61 -0.02 0.00 0.33 0.00 0.00 56.93 56.60 2hw0 s PHE 43 Cb -0.13 -1.00 0.04 0.00 -1.31 0.00 0.00 43.02 40.62 2hw0 s PHE 43 CO -0.03 -0.50 0.03 -1.50 1.83 0.00 0.00 175.22 175.06 2hw0 s ILE 44 N 1.86 0.19 -0.04 3.12 2.07 -0.46 -1.13 121.20 126.81 2hw0 s ILE 44 Ca 0.02 0.10 0.06 0.00 -1.41 0.00 0.00 60.65 59.42 2hw0 s ILE 44 Cb -0.15 -0.48 -0.01 0.00 0.13 0.00 0.00 42.46 41.95 2hw0 s ILE 44 CO -0.07 0.12 -0.23 -0.69 -1.91 0.00 0.00 174.94 172.16 2hw0 s VAL 45 N 2.04 1.84 -0.05 4.00 1.01 -0.57 0.07 120.40 128.73 2hw0 s VAL 45 Ca 0.04 -0.96 0.05 0.00 0.00 0.00 0.00 61.98 61.10 2hw0 s VAL 45 Cb -0.13 -1.55 -0.00 0.00 0.00 0.00 0.00 36.38 34.70 2hw0 s VAL 45 CO -0.05 0.52 -0.19 -0.83 0.00 0.00 0.00 175.10 174.54 2hw0 s GLY 46 N -0.23 1.04 -0.11 4.51 0.00 -0.62 -0.10 107.32 111.80 2hw0 s GLY 46 Ca 0.00 -0.78 -0.14 0.00 0.00 0.00 0.00 44.72 43.80 2hw0 s GLY 46 CO 0.02 -0.39 0.32 1.85 0.00 0.00 0.00 173.10 174.90 2hw0 s GLU 47 N 0.06 4.08 0.12 2.90 2.12 -0.50 -2.27 118.70 125.21 2hw0 s GLU 47 Ca -0.06 0.18 0.09 0.00 0.36 0.00 0.00 54.97 55.54 2hw0 s GLU 47 Cb -0.13 -3.35 -0.04 0.00 0.26 0.00 0.00 34.13 30.87 2hw0 s GLU 47 CO 0.03 0.41 -0.17 -2.00 -0.54 0.00 0.00 175.26 173.00 2hw0 s GLU 48 N -0.08 1.83 0.00 4.30 -6.30 0.31 -4.36 118.70 114.40 2hw0 s GLU 48 Ca 0.19 -1.19 0.00 0.00 -2.50 0.00 0.00 54.97 51.47 2hw0 s GLU 48 Cb -0.14 -2.13 0.00 0.00 0.00 0.00 0.00 34.13 31.86 2hw0 s GLU 48 CO 0.07 0.48 0.00 0.41 0.02 0.00 0.00 175.26 176.23 2hw0 n GLY 49 N 0.69 -0.16 1.48 -1.50 0.00 -1.26 -0.18 105.19 104.25 2hw0 n GLY 49 Ca -0.15 -0.21 -0.12 0.00 0.00 0.00 0.00 46.02 45.55 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 0.00 3.40 -3.73 1.61 2.85 -1.26 -4.88 115.26 113.26 2hw0 n ASN 50 Ca 0.00 -3.78 -0.28 0.00 -0.11 0.00 0.00 54.58 50.41 2hw0 n ASN 50 Cb 0.00 -0.64 -0.16 0.00 1.24 0.00 0.00 39.78 40.22 2hw0 n ASN 50 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 2hw0 s GLU 51 N -3.37 0.63 0.48 1.20 2.02 -1.26 -5.13 118.70 113.27 2hw0 s GLU 51 Ca 0.48 -0.45 -0.22 0.00 0.02 0.00 0.00 54.97 54.80 2hw0 s GLU 51 Cb 0.42 -2.08 -0.09 0.00 0.10 0.00 0.00 34.13 32.48 2hw0 s GLU 51 CO 0.01 -0.67 0.96 -1.91 0.02 0.00 0.00 175.26 173.67 2hw0 n GLU 52 N 5.05 1.19 0.00 1.61 2.13 -1.26 -2.03 120.64 127.33 2hw0 n GLU 52 Ca -0.08 0.43 0.00 0.00 0.66 0.00 0.00 57.16 58.17 2hw0 n GLU 52 Cb 0.47 -2.05 0.00 0.00 0.27 0.00 0.00 31.44 30.12 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 1.25 3.17 3.67 8.31 0.00 -1.26 -5.02 105.19 115.31 2hw0 n GLY 53 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.60 2.39 0.39 1.61 3.52 -0.86 -5.13 118.95 120.27 2hw0 s ARG 54 Ca 0.00 -1.33 -0.03 0.00 -0.13 0.00 0.00 55.73 54.25 2hw0 s ARG 54 Cb 0.00 -2.24 -0.04 0.00 -1.56 0.00 0.00 34.95 31.11 2hw0 s ARG 54 CO 0.00 0.38 0.65 0.95 -0.81 0.00 0.00 175.30 176.47 2hw0 s THR 55 N -2.22 5.01 0.84 4.11 -4.23 -1.26 -4.86 115.64 113.03 2hw0 s THR 55 Ca 0.31 -0.11 -0.11 0.00 -1.18 0.00 0.00 61.69 60.60 2hw0 s THR 55 Cb -0.07 -3.84 0.10 0.00 1.34 0.00 0.00 72.50 70.03 2hw0 s THR 55 CO 0.20 -0.64 1.09 -2.16 -0.54 0.00 0.00 174.62 172.58 2hw0 s PRO 56 N -4.36 1.68 -0.01 3.99 0.04 -1.26 -4.75 135.00 130.33 2hw0 s PRO 56 Ca 0.44 0.96 -0.00 0.00 0.04 0.00 0.00 61.00 62.43 2hw0 s PRO 56 Cb -0.10 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.60 2hw0 s PRO 56 CO 0.38 -1.99 0.01 -1.58 0.04 0.00 0.00 177.00 173.87 2hw0 s HIS 57 N -2.92 -0.01 -0.13 0.56 2.46 0.74 -0.05 115.29 115.94 2hw0 s HIS 57 Ca 0.62 0.04 -0.13 0.00 0.47 0.00 0.00 55.06 56.06 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 -0.02 0.29 -1.17 -2.47 0.00 0.00 174.74 171.94 2hw0 s LEU 58 N 0.14 4.29 -0.26 8.88 0.20 0.55 -0.53 118.68 131.95 2hw0 s LEU 58 Ca -0.01 0.57 -0.03 0.00 0.69 0.00 0.00 54.13 55.34 2hw0 s LEU 58 Cb -0.02 -2.37 0.15 0.00 -0.43 0.00 0.00 46.19 43.52 2hw0 s LEU 58 CO -0.00 0.16 0.48 -1.58 -0.29 0.00 0.00 176.35 175.11 2hw0 s GLN 59 N 0.12 0.44 0.33 1.98 2.00 -0.96 -1.97 119.66 121.60 2hw0 s GLN 59 Ca 0.17 0.83 -0.09 0.00 -2.00 0.00 0.00 55.36 54.27 2hw0 s GLN 59 Cb -0.13 0.08 0.02 0.00 0.80 0.00 0.00 33.01 33.77 2hw0 s GLN 59 CO 0.05 -0.55 0.58 0.20 -0.50 0.00 0.00 175.29 175.06 2hw0 s GLY 60 N 2.69 0.88 -0.00 2.59 0.00 -1.05 -1.60 107.32 110.83 2hw0 s GLY 60 Ca 0.12 -1.10 0.03 0.00 0.00 0.00 0.00 44.72 43.78 2hw0 s GLY 60 CO -0.17 -0.68 -0.10 -0.12 0.00 0.00 0.00 173.10 172.03 2hw0 s PHE 61 N -3.10 0.89 -0.06 1.90 5.36 0.11 -2.39 117.98 120.69 2hw0 s PHE 61 Ca 0.23 -0.18 0.00 0.00 -0.96 0.00 0.00 56.93 56.03 2hw0 s PHE 61 Cb -0.02 -0.57 0.02 0.00 -0.34 0.00 0.00 43.02 42.11 2hw0 s PHE 61 CO 0.15 -0.01 -0.04 0.00 -1.46 0.00 0.00 175.22 173.85 2hw0 s ALA 62 N -0.28 0.84 -0.38 11.12 0.00 -0.65 -1.35 121.76 131.06 2hw0 s ALA 62 Ca 0.03 -0.18 -0.19 0.00 0.00 0.00 0.00 51.96 51.61 2hw0 s ALA 62 Cb -0.04 -0.60 0.01 0.00 0.00 0.00 0.00 23.12 22.49 2hw0 s ALA 62 CO -0.00 -0.19 0.58 1.21 0.00 0.00 0.00 175.76 177.36 2hw0 s ASN 63 N 1.30 6.35 0.10 0.00 3.84 0.10 -2.38 114.94 124.24 2hw0 s ASN 63 Ca -0.05 -0.08 -0.31 0.00 0.21 0.00 0.00 52.86 52.64 2hw0 s ASN 63 Cb -0.14 -2.30 -0.07 0.00 -0.55 0.00 0.00 41.25 38.20 2hw0 s ASN 63 CO -0.02 -0.59 1.32 -0.36 -2.79 0.00 0.00 177.10 174.65 2hw0 s PHE 64 N 2.58 3.32 0.59 0.43 0.08 0.12 -2.43 117.98 122.67 2hw0 s PHE 64 Ca 0.21 1.09 0.34 0.00 0.12 0.00 0.00 56.93 58.69 2hw0 s PHE 64 Cb -0.15 -3.58 1.98 0.00 -0.57 0.00 0.00 43.02 40.70 2hw0 s PHE 64 CO 0.15 -1.96 2.28 0.28 -0.10 0.00 0.00 175.22 175.87 2hw0 h VAL 65 N 4.35 0.36 -3.87 -0.44 2.07 -1.79 -3.43 116.25 113.50 2hw0 h VAL 65 Ca -0.42 -0.05 -0.23 0.00 0.82 0.00 0.00 66.70 66.81 2hw0 h VAL 65 Cb 1.21 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 2hw0 h VAL 65 CO 0.84 0.01 -0.19 2.29 0.02 0.00 0.00 177.57 180.54 2hw0 n LYS 66 N -3.58 0.92 -3.23 1.57 0.00 -1.26 -5.00 118.16 107.58 2hw0 n LYS 66 Ca -0.03 -1.42 -0.40 0.00 -0.00 0.00 0.00 58.31 56.46 2hw0 n LYS 66 Cb 0.09 0.70 -0.07 0.00 -0.00 0.00 0.00 35.03 35.75 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 -2.65 4.11 0.14 -1.58 3.01 -1.26 -4.28 119.74 117.22 2hw0 s LYS 67 Ca 0.07 0.36 0.04 0.00 -1.01 0.00 0.00 55.97 55.43 2hw0 s LYS 67 Cb 0.00 -3.62 -0.04 0.00 -1.01 0.00 0.00 37.83 33.15 2hw0 s LYS 67 CO 0.05 -0.29 -0.10 -1.14 0.51 0.00 0.00 175.35 174.38 2hw0 s GLN 68 N 2.12 1.02 0.47 1.68 2.00 -0.97 -4.87 119.66 121.12 2hw0 s GLN 68 Ca 0.22 -1.43 0.05 0.00 -2.00 0.00 0.00 55.36 52.20 2hw0 s GLN 68 Cb -0.16 -0.56 0.02 0.00 0.80 0.00 0.00 33.01 33.11 2hw0 s GLN 68 CO 0.09 0.06 0.66 0.95 -0.50 0.00 0.00 175.29 176.55 2hw0 s THR 69 N -3.34 2.92 0.05 -0.34 -4.23 -1.26 -1.34 115.64 108.09 2hw0 s THR 69 Ca 0.16 -0.84 -0.28 0.00 -1.18 0.00 0.00 61.69 59.55 2hw0 s THR 69 Cb 0.03 -3.03 -0.17 0.00 1.34 0.00 0.00 72.50 70.67 2hw0 s THR 69 CO -0.00 -0.01 1.49 0.15 -0.54 0.00 0.00 174.62 175.70 2hw0 h PHE 70 N 0.40 -0.47 -0.58 3.99 3.57 -1.98 0.30 116.94 122.18 2hw0 h PHE 70 Ca -0.41 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.10 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 0.39 -0.21 0.35 -0.91 -2.23 0.00 0.00 178.31 175.70 2hw0 h ASN 71 N -0.65 0.58 -0.17 0.41 2.35 -2.00 -2.43 115.58 113.67 2hw0 h ASN 71 Ca -0.05 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.68 2hw0 h ASN 71 Cb 0.47 -0.12 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 2hw0 h ASN 71 CO 0.08 0.41 0.04 0.50 -1.65 0.00 0.00 177.43 176.82 2hw0 h LYS 72 N 0.70 0.28 -0.36 0.81 3.11 -1.94 -2.53 116.57 116.63 2hw0 h LYS 72 Ca 0.23 -0.07 0.11 0.00 -2.81 0.00 0.00 60.65 58.11 2hw0 h LYS 72 Cb 0.01 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.19 2hw0 h LYS 72 CO -0.09 0.41 0.38 0.28 -2.81 0.00 0.00 179.45 177.62 2hw0 h VAL 73 N 0.09 0.42 0.00 2.00 2.07 -0.11 0.35 116.25 121.08 2hw0 h VAL 73 Ca 0.05 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.57 2hw0 h VAL 73 Cb 0.26 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 30.72 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 -3.78 0.07 0.28 1.57 5.02 -0.94 -1.75 118.16 118.64 2hw0 n LYS 74 Ca 0.06 0.44 0.18 0.00 -2.02 0.00 0.00 58.31 56.97 2hw0 n LYS 74 Cb 0.55 -1.67 0.75 0.00 -0.02 0.00 0.00 35.03 34.64 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 0.14 115.95 122.88 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 0.15 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 -1.45 0.66 -1.28 0.00 0.00 178.44 176.38 2hw0 n TYR 76 N -3.10 0.00 -0.02 0.12 4.01 -0.71 -4.71 117.16 112.74 2hw0 n TYR 76 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.67 2hw0 n TYR 76 Cb 0.28 -0.33 0.10 0.00 -0.31 0.00 0.00 39.34 39.08 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 -0.34 0.65 0.00 7.72 3.38 -1.57 -3.47 115.31 121.68 2hw0 h LEU 77 Ca -0.22 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.47 2hw0 h LEU 77 Cb 1.15 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2hw0 h LEU 77 CO -0.14 0.96 0.00 0.61 0.09 0.00 0.00 178.44 179.96 2hw0 n GLY 78 N -0.05 0.40 0.15 0.83 0.00 0.04 -4.57 105.19 101.98 2hw0 n GLY 78 Ca -0.01 -1.62 0.02 0.00 0.00 0.00 0.00 46.02 44.41 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 0.83 -0.96 4.61 0.00 -1.97 -3.20 119.26 118.57 2hw0 h ALA 79 Ca 0.00 -0.48 0.17 0.00 0.00 0.00 0.00 54.91 54.60 2hw0 h ALA 79 Cb 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 17.62 2hw0 h ALA 79 CO 0.00 0.66 0.61 0.00 0.00 0.00 0.00 179.25 180.51 2hw0 h ARG 80 N 0.00 0.71 -5.72 0.00 3.08 -1.95 -3.40 114.38 107.09 2hw0 h ARG 80 Ca -0.01 -0.04 -0.66 0.00 0.07 0.00 0.00 59.98 59.34 2hw0 h ARG 80 Cb 1.16 -0.16 -0.07 0.00 0.08 0.00 0.00 29.97 30.98 2hw0 h ARG 80 CO 0.07 0.47 -0.49 0.00 -1.07 0.00 0.00 179.97 178.94 2hw0 s HIS 82 N -1.14 3.61 -0.07 0.00 2.46 -0.84 -4.82 115.29 114.50 2hw0 s HIS 82 Ca 0.20 1.58 0.02 0.00 0.47 0.00 0.00 55.06 57.33 2hw0 s HIS 82 Cb -0.12 -3.23 -0.03 0.00 -0.13 0.00 0.00 32.58 29.08 2hw0 s HIS 82 CO 0.10 -0.45 -0.11 0.42 -2.47 0.00 0.00 174.74 172.22 2hw0 s ILE 83 N 0.58 3.35 0.13 0.89 1.01 -1.26 -1.58 121.20 124.31 2hw0 s ILE 83 Ca 0.52 -0.60 -0.03 0.00 0.00 0.00 0.00 60.65 60.54 2hw0 s ILE 83 Cb -0.26 -2.35 -0.03 0.00 0.01 0.00 0.00 42.46 39.83 2hw0 s ILE 83 CO 0.30 0.58 0.10 -0.70 0.00 0.00 0.00 174.94 175.22 2hw0 s GLU 84 N -0.58 0.94 0.02 2.79 2.12 -0.74 -4.97 118.70 118.28 2hw0 s GLU 84 Ca 0.08 -1.34 -0.26 0.00 0.36 0.00 0.00 54.97 53.82 2hw0 s GLU 84 Cb -0.12 0.27 -0.05 0.00 0.26 0.00 0.00 34.13 34.50 2hw0 s GLU 84 CO 0.02 -0.28 0.81 0.15 -0.54 0.00 0.00 175.26 175.42 2hw0 s LYS 85 N -4.01 4.52 0.48 4.30 1.02 -1.26 -0.10 119.74 124.69 2hw0 s LYS 85 Ca 0.20 1.13 -0.09 0.00 0.02 0.00 0.00 55.97 57.24 2hw0 s LYS 85 Cb 0.06 -3.40 -0.05 0.00 -0.52 0.00 0.00 37.83 33.92 2hw0 s LYS 85 CO -0.00 0.16 0.84 0.00 -0.92 0.00 0.00 175.35 175.43 2hw0 s ALA 86 N 0.34 3.31 -0.00 5.17 0.00 -1.26 -4.87 121.76 124.45 2hw0 s ALA 86 Ca 0.42 -0.29 -0.06 0.00 0.00 0.00 0.00 51.96 52.03 2hw0 s ALA 86 Cb -0.20 -2.74 0.00 0.00 0.00 0.00 0.00 23.12 20.17 2hw0 s ALA 86 CO 0.24 -0.30 0.11 -1.59 0.00 0.00 0.00 175.76 174.22 2hw0 s LYS 87 N -4.50 0.40 0.00 0.00 -2.85 -1.26 -4.96 119.74 106.58 2hw0 s LYS 87 Ca 0.51 -0.32 0.00 0.00 -1.00 0.00 0.00 55.97 55.16 2hw0 s LYS 87 Cb -0.10 0.17 0.00 0.00 -2.06 0.00 0.00 37.83 35.83 2hw0 s LYS 87 CO 0.41 -0.09 0.00 0.41 0.10 0.00 0.00 175.35 176.19 2hw0 n GLY 88 N 1.76 -1.06 3.94 0.59 0.00 -1.26 -4.73 105.19 104.43 2hw0 n GLY 88 Ca -0.21 -2.24 -0.27 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 -0.83 2.13 0.28 2.61 -4.23 -1.26 -4.77 115.64 109.57 2hw0 s THR 89 Ca 0.00 -0.23 0.00 0.00 -1.18 0.00 0.00 61.69 60.29 2hw0 s THR 89 Cb 0.00 -2.91 0.28 0.00 1.34 0.00 0.00 72.50 71.21 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 -0.96 0.91 -0.07 3.99 2.03 -1.88 -0.62 116.42 119.83 2hw0 h ASP 90 Ca -0.43 0.05 -0.13 0.00 -0.73 0.00 0.00 57.03 55.79 2hw0 h ASP 90 Cb 1.28 -0.14 -0.01 0.00 -0.83 0.00 0.00 39.33 39.63 2hw0 h ASP 90 CO 0.50 0.49 -0.39 1.56 -1.03 0.00 0.00 179.24 180.37 2hw0 h GLN 91 N 0.99 0.58 -0.49 4.15 1.08 -1.93 -0.90 115.11 118.59 2hw0 h GLN 91 Ca 0.48 -0.29 -0.06 0.00 -1.45 0.00 0.00 58.65 57.33 2hw0 h GLN 91 Cb 0.46 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.87 2hw0 h GLN 91 CO -0.26 0.87 0.04 1.96 -0.95 0.00 0.00 178.83 180.50 2hw0 h GLN 92 N 0.48 0.79 0.04 1.46 4.20 -1.50 0.11 115.11 120.68 2hw0 h GLN 92 Ca 0.04 -0.19 -0.11 0.00 0.06 0.00 0.00 58.65 58.45 2hw0 h GLN 92 Cb 0.89 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.57 2hw0 h GLN 92 CO 0.08 0.77 -0.46 -0.91 -0.67 0.00 0.00 178.83 177.63 2hw0 h ASN 93 N 0.74 0.34 -0.68 1.46 -0.26 -1.14 -1.91 115.58 114.13 2hw0 h ASN 93 Ca 0.15 -0.85 -0.03 0.00 -0.56 0.00 0.00 56.30 55.02 2hw0 h ASN 93 Cb 0.39 -0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 37.51 2hw0 h ASN 93 CO 0.01 1.15 0.33 0.50 -1.06 0.00 0.00 177.43 178.36 2hw0 h LYS 94 N -0.42 0.99 -0.17 0.81 3.64 -1.10 -2.58 116.57 117.73 2hw0 h LYS 94 Ca -0.07 -0.15 -0.15 0.00 -1.27 0.00 0.00 60.65 59.01 2hw0 h LYS 94 Cb 1.25 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 2hw0 h LYS 94 CO 0.09 0.78 -0.54 0.93 -2.27 0.00 0.00 179.45 178.44 2hw0 h GLU 95 N 0.95 0.50 0.21 1.90 4.39 -0.87 -2.57 114.58 119.09 2hw0 h GLU 95 Ca 0.24 -0.31 0.01 0.00 0.34 0.00 0.00 59.36 59.63 2hw0 h GLU 95 Cb 0.12 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 2hw0 h GLU 95 CO -0.03 0.91 -0.25 -0.92 -1.16 0.00 0.00 179.01 177.56 2hw0 h TYR 96 N 0.39 -0.67 -0.36 4.33 5.03 -1.00 0.26 116.97 124.94 2hw0 h TYR 96 Ca 0.01 0.01 -0.05 0.00 2.58 0.00 0.00 58.73 61.28 2hw0 h TYR 96 Cb 1.06 0.27 -0.02 0.00 1.55 0.00 0.00 36.73 39.59 2hw0 h TYR 96 CO 0.04 -0.37 0.01 0.00 -1.32 0.00 0.00 178.16 176.52 2hw0 n SER 98 N -4.28 0.40 0.23 0.00 2.88 -0.90 -3.23 113.62 108.73 2hw0 n SER 98 Ca 0.02 0.56 0.18 0.00 -1.33 0.00 0.00 58.87 58.30 2hw0 n SER 98 Cb 0.25 -0.66 0.87 0.00 -0.75 0.00 0.00 64.21 63.91 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 0.60 0.26 116.57 119.61 2hw0 h LYS 99 Ca 0.00 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 2hw0 h LYS 99 Cb 0.50 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 2hw0 h LYS 99 CO 0.00 0.00 -0.27 0.93 -2.27 0.00 0.00 179.45 177.84 2hw0 h GLU 100 N 0.00 0.00 0.00 1.90 3.07 -1.72 -3.47 114.58 114.36 2hw0 h GLU 100 Ca 0.07 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.93 2hw0 h GLU 100 Cb 0.51 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 2hw0 h GLU 100 CO -0.00 0.27 0.00 0.41 -1.40 0.00 0.00 179.01 178.29 2hw0 n GLY 101 N 0.29 1.22 2.84 -3.84 0.00 0.91 -4.97 105.19 101.65 2hw0 n GLY 101 Ca 0.00 0.00 -0.22 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 -2.83 1.41 -0.21 1.61 2.47 -1.26 -5.11 114.94 111.03 2hw0 s ASN 102 Ca 0.00 -0.13 -0.10 0.00 0.42 0.00 0.00 52.86 53.05 2hw0 s ASN 102 Cb 0.00 -0.50 -0.05 0.00 -1.45 0.00 0.00 41.25 39.25 2hw0 s ASN 102 CO 0.00 -0.13 0.12 -0.76 -3.72 0.00 0.00 177.10 172.62 2hw0 s LEU 103 N 1.51 4.08 0.11 3.21 1.43 -1.26 -1.41 118.68 126.35 2hw0 s LEU 103 Ca -0.02 0.16 0.15 0.00 -1.03 0.00 0.00 54.13 53.40 2hw0 s LEU 103 Cb -0.13 -2.06 -0.10 0.00 0.03 0.00 0.00 46.19 43.93 2hw0 s LEU 103 CO -0.03 0.14 0.99 0.25 0.23 0.00 0.00 176.35 177.93 2hw0 h LEU 104 N 6.93 0.00 -7.08 1.79 5.85 -0.79 -3.44 115.31 118.58 2hw0 h LEU 104 Ca -0.39 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.28 2hw0 h LEU 104 Cb 1.16 0.00 -0.22 0.00 0.37 0.00 0.00 40.66 41.97 2hw0 h LEU 104 CO 0.72 0.61 0.00 -0.32 -0.34 0.00 0.00 178.44 179.11 2hw0 s MET 105 N -2.90 0.71 -0.25 1.25 0.00 -0.65 -4.97 119.30 112.49 2hw0 s MET 105 Ca -0.01 0.96 -0.02 0.00 0.00 0.00 0.00 55.69 56.62 2hw0 s MET 105 Cb 0.08 0.28 0.08 0.00 0.00 0.00 0.00 34.83 35.27 2hw0 s MET 105 CO 0.80 -0.11 0.05 -2.00 0.00 0.00 0.00 175.02 173.76 2hw0 s GLU 106 N 0.72 0.78 0.32 4.11 2.12 -1.26 -1.50 118.70 123.98 2hw0 s GLU 106 Ca -0.03 -0.75 -0.03 0.00 0.36 0.00 0.00 54.97 54.52 2hw0 s GLU 106 Cb -0.05 -2.09 -0.00 0.00 0.26 0.00 0.00 34.13 32.25 2hw0 s GLU 106 CO -0.05 -0.78 0.44 0.00 -0.54 0.00 0.00 175.26 174.32 2hw0 n GLY 108 N -0.51 -1.96 3.71 0.00 0.00 -1.26 -2.41 105.19 102.76 2hw0 n GLY 108 Ca 0.01 -1.27 -0.24 0.00 0.00 0.00 0.00 46.02 44.51 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 -1.78 3.32 -1.16 4.61 0.00 -0.16 -4.75 121.76 121.85 2hw0 s ALA 109 Ca 0.00 -1.46 -0.23 0.00 0.00 0.00 0.00 51.96 50.27 2hw0 s ALA 109 Cb 0.00 -1.04 -0.08 0.00 0.00 0.00 0.00 23.12 22.00 2hw0 s ALA 109 CO 0.00 0.35 1.93 -1.25 0.00 0.00 0.00 175.76 176.80 2hw0 s PRO 110 N -3.43 2.50 0.18 0.00 0.04 -1.26 -4.34 135.00 128.69 2hw0 s PRO 110 Ca 0.30 -1.09 0.11 0.00 0.04 0.00 0.00 61.00 60.36 2hw0 s PRO 110 Cb -0.08 -5.23 -0.04 0.00 0.04 0.00 0.00 34.50 29.19 2hw0 s PRO 110 CO 0.21 -3.92 -0.23 -0.98 0.04 0.00 0.00 177.00 172.12 2hw0 s ARG 111 N 6.51 1.45 0.00 4.56 1.70 -1.26 -4.83 118.95 127.08 2hw0 s ARG 111 Ca 0.68 -1.48 0.00 0.00 -0.47 0.00 0.00 55.73 54.46 2hw0 s ARG 111 Cb -0.01 -1.73 0.00 0.00 -0.57 0.00 0.00 34.95 32.63 2hw0 s ARG 111 CO 0.12 0.37 0.00 0.45 -1.08 0.00 0.00 175.30 175.16 2hw0 n SER 112 N 0.34 0.00 -2.46 -2.89 2.88 -1.26 -4.58 113.62 105.64 2hw0 n SER 112 Ca -0.13 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.37 2hw0 n SER 112 Cb 0.56 0.32 0.01 0.00 -0.75 0.00 0.00 64.21 64.34 2hw0 n SER 112 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2hw0 n GLN 113 N -2.28 1.04 0.00 -1.46 10.64 -1.26 -4.98 117.38 119.08 2hw0 n GLN 113 Ca 0.00 -0.51 0.00 0.00 -1.83 0.00 0.00 57.00 54.66 2hw0 n GLN 113 Cb 0.00 -0.01 0.00 0.00 -0.86 0.00 0.00 30.24 29.37 2hw0 n GLN 113 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2hw0 n GLY 114 N 3.90 3.05 3.61 2.61 0.00 -1.26 -5.07 105.19 112.02 2hw0 n GLY 114 Ca 0.02 -0.11 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.93 0.77 0.00 1.61 -0.44 -1.26 -5.32 119.66 114.08 2hw0 s GLN 115 Ca 0.00 1.05 0.00 0.00 -2.50 0.00 0.00 55.36 53.91 2hw0 s GLN 115 Cb 0.00 0.30 0.00 0.00 -1.64 0.00 0.00 33.01 31.67 2hw0 s GLN 115 CO 0.00 -0.12 0.14 2.89 0.50 0.00 0.00 175.29 178.71