#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nwm s LYS 1 N 0.00 3.56 -0.16 2.12 1.02 -1.25 -4.92 119.74 120.12 2nwm s LYS 1 Ca 0.00 -0.54 -0.03 0.00 0.02 0.00 0.00 55.97 55.41 2nwm s LYS 1 Cb 0.00 -3.06 -0.03 0.00 -0.52 0.00 0.00 37.83 34.22 2nwm s LYS 1 CO 0.00 -0.03 -0.04 0.00 -0.92 0.00 0.00 175.35 174.35 2nwm s ALA 2 N 1.11 2.96 -0.03 5.17 0.00 -1.26 -1.13 121.76 128.57 2nwm s ALA 2 Ca 0.02 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.18 2nwm s ALA 2 Cb -0.14 -1.54 -0.00 0.00 0.00 0.00 0.00 23.12 21.44 2nwm s ALA 2 CO 0.01 0.19 -0.14 0.00 0.00 0.00 0.00 175.76 175.82 2nwm s ALA 3 N 0.41 1.24 -0.30 0.00 0.00 -1.23 -1.51 121.76 120.37 2nwm s ALA 3 Ca -0.04 -0.55 -0.07 0.00 0.00 0.00 0.00 51.96 51.29 2nwm s ALA 3 Cb -0.14 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.58 2nwm s ALA 3 CO 0.03 0.23 0.09 0.50 0.00 0.00 0.00 175.76 176.61 2nwm s ARG 4 N 0.03 3.08 0.53 0.00 3.52 -1.26 -3.25 118.95 121.60 2nwm s ARG 4 Ca -0.02 -0.87 -0.22 0.00 -0.13 0.00 0.00 55.73 54.49 2nwm s ARG 4 Cb -0.09 -3.40 -0.06 0.00 -1.56 0.00 0.00 34.95 29.84 2nwm s ARG 4 CO 0.01 -0.46 1.30 -0.11 -0.81 0.00 0.00 175.30 175.23 2nwm n LEU 5 N 4.88 5.07 0.00 -0.88 7.94 -0.89 -4.43 117.00 128.68 2nwm n LEU 5 Ca -0.14 0.98 0.00 0.00 -1.11 0.00 0.00 56.01 55.74 2nwm n LEU 5 Cb 0.48 -1.54 0.00 0.00 0.53 0.00 0.00 43.42 42.89 2nwm n LEU 5 CO 0.32 -0.75 0.19 1.17 -1.11 0.00 0.00 177.39 177.21 2nwm n LYS 6 N -0.84 0.19 -3.64 1.96 0.00 -1.26 -1.90 118.16 112.66 2nwm n LYS 6 Ca 0.10 -0.38 -0.09 0.00 0.00 0.00 0.00 58.31 57.93 2nwm n LYS 6 Cb 0.44 -0.88 -0.10 0.00 0.00 0.00 0.00 35.03 34.49 2nwm n LYS 6 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.40 177.34 2nwm s PHE 7 N -0.14 -0.74 0.01 5.64 0.08 -1.26 -4.88 117.98 116.68 2nwm s PHE 7 Ca 0.00 1.39 -0.34 0.00 0.12 0.00 0.00 56.93 58.10 2nwm s PHE 7 Cb 0.00 0.23 -0.12 0.00 -0.57 0.00 0.00 43.02 42.56 2nwm s PHE 7 CO 0.00 -0.48 1.79 -0.40 -0.10 0.00 0.00 175.22 176.03 2nwm n ASP 8 N 5.38 3.41 -4.38 1.36 5.68 -1.26 -4.49 116.55 122.25 2nwm n ASP 8 Ca -0.08 1.00 -0.30 0.00 -0.50 0.00 0.00 54.79 54.91 2nwm n ASP 8 Cb 0.49 -1.41 -0.14 0.00 -1.14 0.00 0.00 41.12 38.93 2nwm n ASP 8 CO 0.00 0.00 0.00 0.12 -1.33 0.00 0.00 177.20 175.99 2nwm s PHE 9 N 3.05 2.39 -0.15 2.11 5.36 -0.34 -4.88 117.98 125.51 2nwm s PHE 9 Ca 0.88 -0.37 -0.06 0.00 -0.96 0.00 0.00 56.93 56.41 2nwm s PHE 9 Cb -0.66 -1.41 -0.04 0.00 -0.34 0.00 0.00 43.02 40.57 2nwm s PHE 9 CO 0.46 0.17 0.07 1.14 -1.46 0.00 0.00 175.22 175.60 2nwm s GLN 10 N -1.31 3.72 -0.42 10.12 -2.07 -1.26 -1.96 119.66 126.48 2nwm s GLN 10 Ca 0.13 -0.31 -0.27 0.00 -1.82 0.00 0.00 55.36 53.08 2nwm s GLN 10 Cb -0.10 -3.15 -0.07 0.00 -1.09 0.00 0.00 33.01 28.60 2nwm s GLN 10 CO 0.03 0.44 2.36 0.00 -1.32 0.00 0.00 175.29 176.80 2nwm n ALA 11 N 3.00 1.09 0.02 2.60 0.00 -1.26 -4.81 120.51 121.15 2nwm n ALA 11 Ca -0.18 -0.66 -0.11 0.00 0.00 0.00 0.00 53.44 52.49 2nwm n ALA 11 Cb 0.53 -3.06 0.02 0.00 0.00 0.00 0.00 19.45 16.95 2nwm n ALA 11 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2nwm h GLN 12 N 17.60 0.54 -6.47 0.00 4.20 -1.93 -3.45 115.11 125.60 2nwm h GLN 12 Ca -0.29 -0.39 -0.63 0.00 0.06 0.00 0.00 58.65 57.40 2nwm h GLN 12 Cb 1.27 0.07 -0.16 0.00 0.30 0.00 0.00 27.48 28.95 2nwm h GLN 12 CO 1.10 1.01 -0.78 0.45 -0.67 0.00 0.00 178.83 179.94 2nwm s SER 13 N -6.97 3.68 0.56 1.46 0.15 -1.26 -5.02 113.70 106.30 2nwm s SER 13 Ca -0.07 -0.84 0.27 0.00 0.70 0.00 0.00 55.95 56.01 2nwm s SER 13 Cb 0.10 -0.38 1.50 0.00 -1.71 0.00 0.00 66.02 65.53 2nwm s SER 13 CO 0.85 0.09 2.03 -0.65 1.20 0.00 0.00 173.24 176.76 2nwm h PRO 14 N 2.87 0.00 0.00 5.44 0.11 -2.03 0.69 132.00 139.08 2nwm h PRO 14 Ca -0.45 0.00 -0.17 0.00 0.11 0.00 0.00 66.00 65.49 2nwm h PRO 14 Cb 1.22 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.31 2nwm h PRO 14 CO 0.52 0.00 -0.82 -0.22 -0.21 0.00 0.00 178.00 177.28 2nwm h LYS 15 N 0.00 0.00 -7.34 1.05 1.63 -1.97 -3.45 116.57 106.48 2nwm h LYS 15 Ca 0.17 0.00 -0.51 0.00 -0.85 0.00 0.00 60.65 59.46 2nwm h LYS 15 Cb 0.78 0.00 0.08 0.00 -0.60 0.00 0.00 32.23 32.50 2nwm h LYS 15 CO -0.00 0.82 0.38 -1.21 -3.45 0.00 0.00 179.45 175.99 2nwm s GLU 16 N -2.94 3.14 -0.04 1.90 2.02 0.23 -4.39 118.70 118.62 2nwm s GLU 16 Ca 0.01 0.90 0.06 0.00 0.02 0.00 0.00 54.97 55.96 2nwm s GLU 16 Cb 0.10 -2.02 -0.01 0.00 0.10 0.00 0.00 34.13 32.30 2nwm s GLU 16 CO 0.79 -0.94 -0.22 -1.17 0.02 0.00 0.00 175.26 173.74 2nwm s LEU 17 N -5.42 2.01 -0.18 1.80 2.96 -1.22 -4.79 118.68 113.83 2nwm s LEU 17 Ca 0.57 -0.44 -0.24 0.00 -0.22 0.00 0.00 54.13 53.80 2nwm s LEU 17 Cb -0.13 -1.20 -0.02 0.00 0.50 0.00 0.00 46.19 45.35 2nwm s LEU 17 CO 0.54 0.22 0.78 -0.89 -1.32 0.00 0.00 176.35 175.69 2nwm s THR 18 N -0.17 4.91 -0.05 3.68 2.01 -1.26 -4.30 115.64 120.45 2nwm s THR 18 Ca -0.01 1.52 -0.04 0.00 0.31 0.00 0.00 61.69 63.46 2nwm s THR 18 Cb -0.12 -4.09 0.02 0.00 0.01 0.00 0.00 72.50 68.32 2nwm s THR 18 CO 0.02 0.03 0.13 -1.48 -0.69 0.00 0.00 174.62 172.64 2nwm s LEU 19 N 2.17 1.27 0.63 4.42 2.34 -0.83 -4.91 118.68 123.77 2nwm s LEU 19 Ca 0.36 0.27 -0.08 0.00 0.06 0.00 0.00 54.13 54.74 2nwm s LEU 19 Cb -0.16 0.42 0.01 0.00 -0.56 0.00 0.00 46.19 45.90 2nwm s LEU 19 CO 0.11 -0.08 0.96 -1.58 -1.06 0.00 0.00 176.35 174.71 2nwm s GLN 20 N 0.40 2.86 0.49 1.48 0.74 -1.26 -1.20 119.66 123.17 2nwm s GLN 20 Ca -0.03 0.12 -0.24 0.00 0.05 0.00 0.00 55.36 55.27 2nwm s GLN 20 Cb -0.04 -2.19 -0.07 0.00 1.10 0.00 0.00 33.01 31.81 2nwm s GLN 20 CO -0.02 -0.83 1.37 1.17 -0.55 0.00 0.00 175.29 176.44 2nwm n LYS 21 N -2.73 1.93 -0.08 1.67 0.00 -1.26 -2.84 118.16 114.86 2nwm n LYS 21 Ca 0.05 0.70 0.00 0.00 0.00 0.00 0.00 58.31 59.06 2nwm n LYS 21 Cb 0.58 -2.57 0.00 0.00 0.00 0.00 0.00 35.03 33.04 2nwm n LYS 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2nwm n GLY 22 N 0.70 0.59 3.73 3.14 0.00 -0.80 -4.92 105.19 107.63 2nwm n GLY 22 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.70 2nwm n GLY 22 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2nwm s ASP 23 N -2.65 6.99 -0.04 1.61 1.11 -1.13 -4.83 116.67 117.74 2nwm s ASP 23 Ca 0.00 1.19 0.03 0.00 0.18 0.00 0.00 52.55 53.95 2nwm s ASP 23 Cb 0.00 -2.40 -0.03 0.00 1.07 0.00 0.00 42.92 41.56 2nwm s ASP 23 CO 0.00 -0.04 -0.12 -0.51 1.18 0.00 0.00 175.17 175.68 2nwm s ILE 24 N 0.45 3.23 0.05 0.77 -1.16 -1.26 -2.10 121.20 121.18 2nwm s ILE 24 Ca 0.35 -0.73 -0.01 0.00 -0.51 0.00 0.00 60.65 59.75 2nwm s ILE 24 Cb -0.18 -2.30 -0.04 0.00 0.61 0.00 0.00 42.46 40.55 2nwm s ILE 24 CO 0.18 0.54 -0.03 0.68 -2.81 0.00 0.00 174.94 173.50 2nwm s VAL 25 N -0.80 0.23 -0.41 4.00 -7.23 -1.20 -5.01 120.40 109.98 2nwm s VAL 25 Ca 0.13 -1.81 -0.22 0.00 -1.81 0.00 0.00 61.98 58.26 2nwm s VAL 25 Cb -0.11 -1.53 0.02 0.00 0.56 0.00 0.00 36.38 35.32 2nwm s VAL 25 CO 0.02 -0.99 0.74 -0.31 -0.31 0.00 0.00 175.10 174.24 2nwm s TYR 26 N -3.91 3.06 0.20 2.82 2.02 -1.15 -3.49 117.35 116.90 2nwm s TYR 26 Ca 0.07 0.26 -0.28 0.00 -0.37 0.00 0.00 57.07 56.75 2nwm s TYR 26 Cb 0.08 -3.46 -0.08 0.00 -0.40 0.00 0.00 41.96 38.09 2nwm s TYR 26 CO -0.10 -0.85 0.88 0.42 -1.57 0.00 0.00 175.55 174.33 2nwm s ILE 27 N 3.08 4.21 -0.26 2.71 -1.09 -0.29 -2.81 121.20 126.76 2nwm s ILE 27 Ca 0.28 1.94 -0.04 0.00 -2.23 0.00 0.00 60.65 60.60 2nwm s ILE 27 Cb -0.13 -4.26 -0.14 0.00 -1.58 0.00 0.00 42.46 36.35 2nwm s ILE 27 CO 0.19 0.50 -0.27 1.41 -1.23 0.00 0.00 174.94 175.54 2nwm n HIS 28 N 1.62 0.00 -4.25 3.97 8.25 -0.70 -3.88 115.22 120.23 2nwm n HIS 28 Ca -0.03 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.25 2nwm n HIS 28 Cb 0.48 -0.95 -0.13 0.00 1.12 0.00 0.00 29.99 30.50 2nwm n HIS 28 CO 0.00 0.00 0.00 -1.59 0.64 0.00 0.00 176.34 175.39 2nwm s LYS 29 N -2.49 0.76 -0.23 -0.41 -2.85 -1.25 -5.00 119.74 108.27 2nwm s LYS 29 Ca -0.35 -0.69 -0.02 0.00 -1.00 0.00 0.00 55.97 53.92 2nwm s LYS 29 Cb 0.11 -0.71 0.01 0.00 -2.06 0.00 0.00 37.83 35.18 2nwm s LYS 29 CO 0.53 0.17 -0.08 -1.21 0.10 0.00 0.00 175.35 174.86 2nwm s GLU 30 N -1.12 3.04 -0.62 1.78 0.41 -1.26 -0.66 118.70 120.27 2nwm s GLU 30 Ca -0.01 -0.83 -0.02 0.00 -0.41 0.00 0.00 54.97 53.69 2nwm s GLU 30 Cb -0.08 -2.93 0.16 0.00 -1.78 0.00 0.00 34.13 29.51 2nwm s GLU 30 CO 0.01 -0.30 0.43 0.08 -0.49 0.00 0.00 175.26 174.99 2nwm s VAL 31 N 1.37 3.64 0.30 2.63 1.01 -1.26 -4.92 120.40 123.17 2nwm s VAL 31 Ca 0.03 -2.98 0.00 0.00 0.00 0.00 0.00 61.98 59.04 2nwm s VAL 31 Cb -0.15 -3.38 0.17 0.00 0.00 0.00 0.00 36.38 33.02 2nwm s VAL 31 CO -0.06 -0.87 1.86 0.44 0.00 0.00 0.00 175.10 176.48 2nwm h ASP 32 N 7.00 0.72 1.61 3.32 5.19 -1.97 -1.84 116.42 130.46 2nwm h ASP 32 Ca -0.02 -0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 56.28 2nwm h ASP 32 Cb 0.95 -0.19 -0.00 0.00 0.18 0.00 0.00 39.33 40.27 2nwm h ASP 32 CO 0.71 0.69 -0.00 0.50 -3.12 0.00 0.00 179.24 178.02 2nwm h LYS 33 N 0.77 0.00 0.00 3.56 3.64 -2.03 -3.46 116.57 119.05 2nwm h LYS 33 Ca 0.18 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2nwm h LYS 33 Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.05 2nwm h LYS 33 CO -0.01 0.00 0.00 0.09 -2.27 0.00 0.00 179.45 177.26 2nwm n ASN 34 N -3.10 0.21 -4.73 4.20 4.13 -0.69 -5.06 115.26 110.22 2nwm n ASN 34 Ca 0.03 0.00 -0.35 0.00 1.68 0.00 0.00 54.58 55.93 2nwm n ASN 34 Cb 0.44 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.60 2nwm n ASN 34 CO 0.00 0.00 0.00 -1.66 0.28 0.00 0.00 177.26 175.88 2nwm s TRP 35 N 2.18 3.36 0.83 3.10 -2.14 -1.22 -2.49 118.94 122.56 2nwm s TRP 35 Ca 0.00 0.27 -0.12 0.00 2.66 0.00 0.00 56.10 58.91 2nwm s TRP 35 Cb 0.00 -1.99 0.09 0.00 -3.10 0.00 0.00 33.47 28.47 2nwm s TRP 35 CO 0.00 0.41 1.16 -0.48 -2.66 0.00 0.00 176.95 175.39 2nwm s LEU 36 N -0.32 2.40 -0.20 -4.66 2.34 -0.83 -4.31 118.68 113.11 2nwm s LEU 36 Ca 0.09 0.85 -0.10 0.00 0.06 0.00 0.00 54.13 55.04 2nwm s LEU 36 Cb -0.12 -3.32 -0.05 0.00 -0.56 0.00 0.00 46.19 42.14 2nwm s LEU 36 CO 0.01 -2.04 0.12 -0.70 -1.06 0.00 0.00 176.35 172.68 2nwm s GLU 37 N -5.49 4.16 0.24 1.48 2.12 0.16 -3.35 118.70 118.03 2nwm s GLU 37 Ca 0.62 -0.24 0.06 0.00 0.36 0.00 0.00 54.97 55.78 2nwm s GLU 37 Cb -0.12 -3.40 -0.05 0.00 0.26 0.00 0.00 34.13 30.82 2nwm s GLU 37 CO 0.50 0.29 -0.07 0.20 -0.54 0.00 0.00 175.26 175.65 2nwm s GLY 38 N 0.38 1.63 -0.05 -1.50 0.00 0.87 -1.72 107.32 106.92 2nwm s GLY 38 Ca 0.07 -1.79 -0.15 0.00 0.00 0.00 0.00 44.72 42.85 2nwm s GLY 38 CO -0.02 -1.77 0.35 -0.54 0.00 0.00 0.00 173.10 171.12 2nwm s GLU 39 N -3.74 0.62 -0.17 2.90 2.02 -1.12 0.62 118.70 119.83 2nwm s GLU 39 Ca 0.27 0.05 -0.07 0.00 0.02 0.00 0.00 54.97 55.23 2nwm s GLU 39 Cb 0.03 0.28 0.07 0.00 0.10 0.00 0.00 34.13 34.61 2nwm s GLU 39 CO 0.09 -0.15 0.37 -1.58 0.02 0.00 0.00 175.26 174.01 2nwm s HIS 40 N -0.86 -0.61 -1.47 1.61 2.46 0.18 -2.95 115.29 113.65 2nwm s HIS 40 Ca -0.09 1.27 -0.12 0.00 0.47 0.00 0.00 55.06 56.59 2nwm s HIS 40 Cb -0.04 0.21 0.08 0.00 -0.13 0.00 0.00 32.58 32.70 2nwm s HIS 40 CO 0.03 -0.38 0.77 0.72 -2.47 0.00 0.00 174.74 173.41 2nwm n HIS 41 N 4.84 -2.06 0.00 3.88 8.25 -1.26 0.23 115.22 129.10 2nwm n HIS 41 Ca -0.15 0.71 0.00 0.00 -0.26 0.00 0.00 57.72 58.02 2nwm n HIS 41 Cb 0.52 -3.63 0.00 0.00 1.12 0.00 0.00 29.99 28.00 2nwm n HIS 41 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2nwm n GLY 42 N -1.48 2.28 3.88 -1.41 0.00 -1.26 -5.02 105.19 102.18 2nwm n GLY 42 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 2nwm n GLY 42 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2nwm s ARG 43 N -0.28 3.74 -0.19 1.61 6.06 0.14 -5.07 118.95 124.96 2nwm s ARG 43 Ca 0.00 0.28 -0.13 0.00 -2.50 0.00 0.00 55.73 53.38 2nwm s ARG 43 Cb 0.00 -2.53 -0.05 0.00 0.06 0.00 0.00 34.95 32.44 2nwm s ARG 43 CO 0.00 0.12 0.25 -1.17 -2.50 0.00 0.00 175.30 172.00 2nwm s LEU 44 N -3.53 4.19 -0.16 -0.88 2.96 -1.26 0.50 118.68 120.50 2nwm s LEU 44 Ca 0.48 0.37 -0.02 0.00 -0.22 0.00 0.00 54.13 54.74 2nwm s LEU 44 Cb -0.11 -2.28 0.05 0.00 0.50 0.00 0.00 46.19 44.35 2nwm s LEU 44 CO 0.28 0.08 0.01 -0.83 -1.32 0.00 0.00 176.35 174.57 2nwm s GLY 45 N 0.68 0.69 0.08 7.98 0.00 0.20 -4.70 107.32 112.25 2nwm s GLY 45 Ca 0.13 -0.58 0.09 0.00 0.00 0.00 0.00 44.72 44.35 2nwm s GLY 45 CO 0.03 1.28 -0.21 -0.42 0.00 0.00 0.00 173.10 173.79 2nwm s ILE 46 N 1.85 2.64 0.10 0.90 1.01 -1.26 -0.09 121.20 126.34 2nwm s ILE 46 Ca 0.01 -1.41 -0.25 0.00 0.00 0.00 0.00 60.65 59.00 2nwm s ILE 46 Cb -0.16 -2.14 0.07 0.00 0.01 0.00 0.00 42.46 40.24 2nwm s ILE 46 CO -0.07 0.22 0.65 0.72 0.00 0.00 0.00 174.94 176.46 2nwm s PHE 47 N -1.00 -0.55 0.30 3.97 -0.12 -1.21 -3.45 117.98 115.92 2nwm s PHE 47 Ca 0.15 0.49 -0.29 0.00 -0.05 0.00 0.00 56.93 57.23 2nwm s PHE 47 Cb -0.10 0.53 -0.10 0.00 -0.63 0.00 0.00 43.02 42.71 2nwm s PHE 47 CO 0.07 -0.77 1.34 -2.14 -0.05 0.00 0.00 175.22 173.67 2nwm s PRO 48 N -3.12 4.33 0.48 1.99 0.02 -1.26 -1.96 135.00 135.49 2nwm s PRO 48 Ca -0.01 2.23 0.33 0.00 0.02 0.00 0.00 61.00 63.56 2nwm s PRO 48 Cb -0.01 -3.09 1.74 0.00 0.02 0.00 0.00 34.50 33.16 2nwm s PRO 48 CO -0.08 -0.26 2.00 0.00 -0.33 0.00 0.00 177.00 178.33 2nwm h ALA 49 N 4.01 1.00 0.00 -1.55 0.00 -1.70 -1.45 119.26 119.57 2nwm h ALA 49 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 2nwm h ALA 49 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2nwm h ALA 49 CO 0.70 0.00 0.00 0.09 0.00 0.00 0.00 179.25 180.04 2nwm n ASN 50 N -2.66 0.00 -0.09 0.00 4.13 -1.26 -2.92 115.26 112.46 2nwm n ASN 50 Ca -0.02 0.13 -0.09 0.00 1.68 0.00 0.00 54.58 56.28 2nwm n ASN 50 Cb 0.07 -0.33 -0.14 0.00 -1.54 0.00 0.00 39.78 37.84 2nwm n ASN 50 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 2nwm n TYR 51 N -1.33 0.00 -4.41 3.10 4.02 -0.55 -5.01 117.16 112.98 2nwm n TYR 51 Ca 0.08 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.75 2nwm n TYR 51 Cb 0.16 -0.88 -0.10 0.00 -0.02 0.00 0.00 39.34 38.50 2nwm n TYR 51 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 176.86 176.39 2nwm s VAL 52 N -2.43 2.13 0.11 -0.72 0.11 -1.15 -4.33 120.40 114.12 2nwm s VAL 52 Ca -0.10 -2.31 0.04 0.00 -2.93 0.00 0.00 61.98 56.68 2nwm s VAL 52 Cb 0.05 -2.17 -0.04 0.00 -1.53 0.00 0.00 36.38 32.69 2nwm s VAL 52 CO 0.71 -0.48 0.08 -1.61 -3.33 0.00 0.00 175.10 170.47 2nwm s GLU 53 N -3.54 2.83 -0.35 1.54 2.02 -1.26 -4.77 118.70 115.16 2nwm s GLU 53 Ca 0.26 -0.78 -0.16 0.00 0.02 0.00 0.00 54.97 54.31 2nwm s GLU 53 Cb -0.03 -2.66 -0.01 0.00 0.10 0.00 0.00 34.13 31.53 2nwm s GLU 53 CO 0.11 0.53 0.38 0.08 0.02 0.00 0.00 175.26 176.39 2nwm s VAL 54 N -1.51 5.15 -0.48 2.63 1.01 -1.26 -4.18 120.40 121.76 2nwm s VAL 54 Ca 0.29 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.34 2nwm s VAL 54 Cb -0.11 -3.86 0.22 0.00 0.00 0.00 0.00 36.38 32.63 2nwm s VAL 54 CO 0.22 -0.14 0.87 0.00 0.00 0.00 0.00 175.10 176.05 2nwm n LEU 55 N 5.44 -2.87 -4.48 3.92 -0.00 -1.23 -5.08 117.00 112.69 2nwm n LEU 55 Ca -0.09 -2.82 -0.36 0.00 -0.00 0.00 0.00 56.01 52.75 2nwm n LEU 55 Cb 0.49 0.76 0.07 0.00 -0.00 0.00 0.00 43.42 44.74 2nwm n LEU 55 CO 0.41 1.87 0.11 -2.65 -0.00 0.00 0.00 177.39 177.13 2nwm n PRO 56 N 2.24 0.29 -4.10 1.47 -0.02 -0.57 -4.69 135.00 129.61 2nwm n PRO 56 Ca 0.12 0.14 -0.09 0.00 -2.02 0.00 0.00 63.50 61.65 2nwm n PRO 56 Cb 0.61 -1.87 -0.10 0.00 -0.02 0.00 0.00 33.50 32.12 2nwm n PRO 56 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2nwm s LEU 57 N -0.59 1.88 0.00 2.45 1.02 -1.26 -4.88 118.68 117.30 2nwm s LEU 57 Ca 0.66 -1.10 0.00 0.00 0.02 0.00 0.00 54.13 53.71 2nwm s LEU 57 Cb -0.34 0.38 0.00 0.00 0.02 0.00 0.00 46.19 46.25 2nwm s LEU 57 CO 0.58 -0.71 0.00 -0.62 0.02 0.00 0.00 176.35 175.62