#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nwt h PRO 2 N 0.00 -1.02 -6.86 2.12 0.13 -2.09 -3.45 132.00 120.83 2nwt h PRO 2 Ca 0.00 0.07 -0.44 0.00 -0.87 0.00 0.00 66.00 64.76 2nwt h PRO 2 Cb 0.00 0.23 0.05 0.00 0.13 0.00 0.00 31.00 31.41 2nwt h PRO 2 CO 0.00 -0.68 -0.02 -1.59 -0.23 0.00 0.00 178.00 175.48 2nwt s LYS 3 N -5.89 2.42 0.01 0.86 -2.85 -1.26 -5.09 119.74 107.94 2nwt s LYS 3 Ca -0.18 -0.86 0.02 0.00 -1.00 0.00 0.00 55.97 53.95 2nwt s LYS 3 Cb 0.04 -2.48 -0.04 0.00 -2.06 0.00 0.00 37.83 33.30 2nwt s LYS 3 CO 0.61 -0.81 -0.01 0.96 0.10 0.00 0.00 175.35 176.20 2nwt s ILE 4 N -2.80 4.09 0.40 3.79 -0.00 -1.26 -5.13 121.20 120.29 2nwt s ILE 4 Ca 0.59 -0.66 0.08 0.00 -0.00 0.00 0.00 60.65 60.65 2nwt s ILE 4 Cb -0.10 -2.83 -0.02 0.00 -0.00 0.00 0.00 42.46 39.51 2nwt s ILE 4 CO 0.39 0.35 0.38 -0.63 -0.00 0.00 0.00 174.94 175.43 2nwt s ILE 5 N -1.10 2.88 0.23 8.37 -1.09 -1.26 -5.15 121.20 124.07 2nwt s ILE 5 Ca 0.20 -1.32 0.09 0.00 -2.23 0.00 0.00 60.65 57.39 2nwt s ILE 5 Cb -0.11 -3.04 -0.05 0.00 -1.58 0.00 0.00 42.46 37.68 2nwt s ILE 5 CO 0.11 -0.04 -0.16 -1.61 -1.23 0.00 0.00 174.94 172.01 2nwt s GLU 6 N -4.12 1.43 0.12 2.79 2.02 -1.24 -5.03 118.70 114.67 2nwt s GLU 6 Ca 0.47 -1.64 -0.23 0.00 0.02 0.00 0.00 54.97 53.60 2nwt s GLU 6 Cb -0.04 -1.30 0.06 0.00 0.10 0.00 0.00 34.13 32.95 2nwt s GLU 6 CO 0.28 0.22 0.57 0.00 0.02 0.00 0.00 175.26 176.35 2nwt s ALA 7 N -2.85 -1.48 -0.22 5.21 0.00 -1.26 0.65 121.76 121.81 2nwt s ALA 7 Ca 0.25 0.49 -0.02 0.00 0.00 0.00 0.00 51.96 52.68 2nwt s ALA 7 Cb -0.02 0.73 0.01 0.00 0.00 0.00 0.00 23.12 23.84 2nwt s ALA 7 CO 0.09 -0.69 -0.09 0.14 0.00 0.00 0.00 175.76 175.21 2nwt s VAL 8 N -3.39 2.81 -0.40 0.00 -7.23 0.16 -4.83 120.40 107.51 2nwt s VAL 8 Ca -0.00 -0.85 -0.27 0.00 -1.81 0.00 0.00 61.98 59.05 2nwt s VAL 8 Cb -0.00 -2.32 0.02 0.00 0.56 0.00 0.00 36.38 34.63 2nwt s VAL 8 CO -0.10 0.35 1.00 -0.47 -0.31 0.00 0.00 175.10 175.57 2nwt s TYR 9 N 1.36 3.01 0.02 2.82 5.04 -1.25 -0.50 117.35 127.85 2nwt s TYR 9 Ca 0.03 0.77 0.01 0.00 -2.44 0.00 0.00 57.07 55.44 2nwt s TYR 9 Cb -0.15 -3.88 -0.01 0.00 0.35 0.00 0.00 41.96 38.27 2nwt s TYR 9 CO -0.06 -0.96 -0.04 -2.00 -1.34 0.00 0.00 175.55 171.14 2nwt s GLU 10 N 3.76 0.34 -1.72 4.97 -6.30 0.12 -4.85 118.70 115.03 2nwt s GLU 10 Ca 0.41 -0.46 0.00 0.00 -2.50 0.00 0.00 54.97 52.43 2nwt s GLU 10 Cb -0.11 -0.14 0.00 0.00 0.00 0.00 0.00 34.13 33.89 2nwt s GLU 10 CO 0.22 0.02 0.00 0.09 0.02 0.00 0.00 175.26 175.61 2nwt n ASN 11 N 2.10 -5.18 0.00 -1.70 3.02 -1.26 -0.58 115.26 111.66 2nwt n ASN 11 Ca -0.19 0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 2nwt n ASN 11 Cb 0.56 -4.43 0.00 0.00 -0.61 0.00 0.00 39.78 35.30 2nwt n ASN 11 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2nwt n GLY 12 N -0.73 0.39 3.20 7.41 0.00 -1.26 -5.04 105.19 109.16 2nwt n GLY 12 Ca -0.21 -1.06 -0.17 0.00 0.00 0.00 0.00 46.02 44.58 2nwt n GLY 12 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2nwt s VAL 13 N -2.00 1.17 -0.33 1.61 1.01 0.25 -5.12 120.40 116.99 2nwt s VAL 13 Ca 0.00 -1.53 -0.10 0.00 0.00 0.00 0.00 61.98 60.35 2nwt s VAL 13 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 36.38 35.08 2nwt s VAL 13 CO 0.00 -0.36 0.16 -0.36 0.00 0.00 0.00 175.10 174.54 2nwt s PHE 14 N -1.84 3.20 -0.42 5.22 0.08 -1.26 0.14 117.98 123.10 2nwt s PHE 14 Ca 0.04 -0.71 -0.11 0.00 0.12 0.00 0.00 56.93 56.27 2nwt s PHE 14 Cb -0.07 -2.37 0.06 0.00 -0.57 0.00 0.00 43.02 40.08 2nwt s PHE 14 CO 0.02 -0.52 0.27 0.15 -0.10 0.00 0.00 175.22 175.04 2nwt s LYS 15 N 1.59 2.73 0.99 0.44 -0.14 0.35 -4.88 119.74 120.82 2nwt s LYS 15 Ca 0.04 -1.33 -0.26 0.00 -1.36 0.00 0.00 55.97 53.05 2nwt s LYS 15 Cb -0.18 -3.83 -0.19 0.00 -1.68 0.00 0.00 37.83 31.95 2nwt s LYS 15 CO 0.06 -0.90 -1.43 -2.30 -0.76 0.00 0.00 175.35 170.02 2nwt n PRO 16 N 4.99 0.00 -3.72 -1.68 -0.02 -1.26 0.36 135.00 133.68 2nwt n PRO 16 Ca -0.11 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.07 2nwt n PRO 16 Cb 0.44 -0.99 -0.14 0.00 -0.02 0.00 0.00 33.50 32.78 2nwt n PRO 16 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2nwt s LEU 17 N 7.93 2.31 0.00 2.45 1.43 0.21 -4.40 118.68 128.61 2nwt s LEU 17 Ca 0.36 -1.91 0.00 0.00 -1.03 0.00 0.00 54.13 51.55 2nwt s LEU 17 Cb 0.06 -0.89 0.00 0.00 0.03 0.00 0.00 46.19 45.39 2nwt s LEU 17 CO 0.68 -0.37 0.00 0.00 0.23 0.00 0.00 176.35 176.89 2nwt n GLN 18 N 4.48 -0.21 -1.68 1.70 -0.00 -1.26 -3.73 117.38 116.68 2nwt n GLN 18 Ca 0.01 0.14 -0.44 0.00 -0.00 0.00 0.00 57.00 56.72 2nwt n GLN 18 Cb 0.40 -0.26 -0.02 0.00 -0.00 0.00 0.00 30.24 30.36 2nwt n GLN 18 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 2nwt n LYS 19 N -0.94 2.03 -3.80 2.61 4.76 -1.26 -4.88 118.16 116.69 2nwt n LYS 19 Ca 0.00 0.72 -0.13 0.00 -2.87 0.00 0.00 58.31 56.02 2nwt n LYS 19 Cb 0.05 -2.31 -0.15 0.00 -1.84 0.00 0.00 35.03 30.78 2nwt n LYS 19 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2nwt s VAL 20 N -0.65 -0.03 -0.45 -0.18 1.01 -1.26 -4.94 120.40 113.89 2nwt s VAL 20 Ca 0.61 0.12 0.02 0.00 0.00 0.00 0.00 61.98 62.73 2nwt s VAL 20 Cb -0.61 -0.13 0.14 0.00 0.00 0.00 0.00 36.38 35.78 2nwt s VAL 20 CO 0.57 0.05 0.27 -0.62 0.00 0.00 0.00 175.10 175.37 2nwt s ASP 21 N 0.67 3.42 0.45 3.32 2.15 -1.26 -5.08 116.67 120.34 2nwt s ASP 21 Ca -0.05 -2.75 0.01 0.00 0.43 0.00 0.00 52.55 50.19 2nwt s ASP 21 Cb -0.07 -0.95 -0.00 0.00 -0.30 0.00 0.00 42.92 41.59 2nwt s ASP 21 CO -0.03 -0.24 0.04 0.18 -0.17 0.00 0.00 175.17 174.95 2nwt n LEU 22 N 3.36 0.00 -4.64 -1.34 4.77 -1.26 -5.17 117.00 112.72 2nwt n LEU 22 Ca 0.13 -3.00 -0.24 0.00 -0.03 0.00 0.00 56.01 52.87 2nwt n LEU 22 Cb 0.36 0.52 -0.08 0.00 -2.33 0.00 0.00 43.42 41.90 2nwt n LEU 22 CO 0.21 -0.44 -0.30 -1.59 -1.33 0.00 0.00 177.39 173.95 2nwt s LYS 23 N -3.66 2.19 0.22 3.23 -2.85 -1.26 -5.08 119.74 112.53 2nwt s LYS 23 Ca 0.06 -1.58 -0.30 0.00 -1.00 0.00 0.00 55.97 53.14 2nwt s LYS 23 Cb 0.00 -2.06 -0.10 0.00 -2.06 0.00 0.00 37.83 33.62 2nwt s LYS 23 CO 0.04 0.23 1.45 -1.21 0.10 0.00 0.00 175.35 175.96 2nwt s GLU 24 N -3.71 4.27 -0.69 1.78 2.02 -1.26 -2.39 118.70 118.72 2nwt s GLU 24 Ca 0.34 2.28 -0.02 0.00 0.02 0.00 0.00 54.97 57.58 2nwt s GLU 24 Cb -0.03 -3.13 -0.03 0.00 0.10 0.00 0.00 34.13 31.03 2nwt s GLU 24 CO 0.20 -0.44 0.62 0.41 0.02 0.00 0.00 175.26 176.07 2nwt n GLY 25 N 2.59 -0.85 3.46 -1.39 0.00 -1.26 -5.07 105.19 102.66 2nwt n GLY 25 Ca 0.08 0.35 -0.33 0.00 0.00 0.00 0.00 46.02 46.13 2nwt n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nwt s GLU 26 N -3.54 2.47 -0.24 1.61 0.41 -1.00 -5.11 118.70 113.29 2nwt s GLU 26 Ca 0.18 -0.72 -0.10 0.00 -0.41 0.00 0.00 54.97 53.91 2nwt s GLU 26 Cb -0.02 -2.34 -0.05 0.00 -1.78 0.00 0.00 34.13 29.94 2nwt s GLU 26 CO 0.57 0.61 0.16 1.03 -0.49 0.00 0.00 175.26 177.14 2nwt s ARG 27 N -0.70 4.06 0.06 1.61 3.00 -1.26 -5.04 118.95 120.67 2nwt s ARG 27 Ca 0.11 -0.28 0.04 0.00 0.00 0.00 0.00 55.73 55.60 2nwt s ARG 27 Cb -0.11 -3.53 -0.03 0.00 0.00 0.00 0.00 34.95 31.28 2nwt s ARG 27 CO 0.00 0.05 -0.11 0.14 0.00 0.00 0.00 175.30 175.39 2nwt s VAL 28 N 1.08 0.80 -0.10 3.52 -7.23 -1.26 -5.14 120.40 112.06 2nwt s VAL 28 Ca 0.07 -1.18 -0.03 0.00 -1.81 0.00 0.00 61.98 59.03 2nwt s VAL 28 Cb -0.14 -0.82 -0.03 0.00 0.56 0.00 0.00 36.38 35.95 2nwt s VAL 28 CO 0.05 -0.31 0.03 -0.54 -0.31 0.00 0.00 175.10 174.02 2nwt s LYS 29 N -1.66 3.20 0.05 4.82 1.02 -1.26 -5.09 119.74 120.82 2nwt s LYS 29 Ca -0.06 -0.36 0.04 0.00 0.02 0.00 0.00 55.97 55.61 2nwt s LYS 29 Cb -0.10 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 2nwt s LYS 29 CO 0.01 0.65 -0.04 0.42 -0.92 0.00 0.00 175.35 175.47 2nwt s ILE 30 N -0.73 3.78 0.07 2.17 -1.09 -1.26 -5.11 121.20 119.04 2nwt s ILE 30 Ca 0.12 -0.90 -0.21 0.00 -2.23 0.00 0.00 60.65 57.43 2nwt s ILE 30 Cb -0.12 -2.72 0.05 0.00 -1.58 0.00 0.00 42.46 38.10 2nwt s ILE 30 CO 0.02 0.26 0.50 -1.59 -1.23 0.00 0.00 174.94 172.91 2nwt s LYS 31 N -1.84 1.06 0.50 2.79 -2.85 -1.26 -5.15 119.74 113.00 2nwt s LYS 31 Ca 0.21 -0.35 -0.21 0.00 -1.00 0.00 0.00 55.97 54.61 2nwt s LYS 31 Cb -0.11 0.48 -0.07 0.00 -2.06 0.00 0.00 37.83 36.07 2nwt s LYS 31 CO 0.12 -0.40 1.15 -0.51 0.10 0.00 0.00 175.35 175.82 2nwt s LEU 32 N -2.21 3.88 -0.06 2.77 2.01 -1.26 -4.86 118.68 118.95 2nwt s LEU 32 Ca -0.03 2.26 -0.37 0.00 0.01 0.00 0.00 54.13 56.00 2nwt s LEU 32 Cb -0.00 -4.40 -0.15 0.00 0.01 0.00 0.00 46.19 41.64 2nwt s LEU 32 CO -0.05 -1.08 1.61 1.21 1.01 0.00 0.00 176.35 179.05 2nwt n GLU 33 N -0.89 1.49 -1.13 1.70 2.13 -1.26 -4.57 120.64 118.11 2nwt n GLU 33 Ca 0.09 0.54 0.08 0.00 0.66 0.00 0.00 57.16 58.54 2nwt n GLU 33 Cb 0.49 -2.25 -0.05 0.00 0.27 0.00 0.00 31.44 29.90 2nwt n GLU 33 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2nwt n LEU 34 N 4.39 -0.69 -5.02 4.31 4.77 -1.26 -5.01 117.00 118.48 2nwt n LEU 34 Ca 0.22 1.49 -0.20 0.00 -0.03 0.00 0.00 56.01 57.50 2nwt n LEU 34 Cb 0.20 -2.46 0.05 0.00 -2.33 0.00 0.00 43.42 38.89 2nwt n LEU 34 CO 0.71 -1.10 0.32 -1.59 -1.33 0.00 0.00 177.39 174.40 2nwt s LYS 35 N -4.68 2.37 0.28 3.23 -2.85 -1.26 -5.11 119.74 111.72 2nwt s LYS 35 Ca 0.00 -1.42 -0.09 0.00 -1.00 0.00 0.00 55.97 53.47 2nwt s LYS 35 Cb 0.00 -2.62 -0.07 0.00 -2.06 0.00 0.00 37.83 33.08 2nwt s LYS 35 CO 0.00 -0.78 0.59 0.54 0.10 0.00 0.00 175.35 175.80 2nwt s VAL 36 N -2.66 4.92 0.21 1.79 0.11 -1.26 -5.09 120.40 118.43 2nwt s VAL 36 Ca 0.60 0.39 -0.11 0.00 -2.93 0.00 0.00 61.98 59.94 2nwt s VAL 36 Cb -0.07 -3.67 -0.07 0.00 -1.53 0.00 0.00 36.38 31.04 2nwt s VAL 36 CO 0.38 -0.22 0.55 -1.83 -3.33 0.00 0.00 175.10 170.66 2nwt s GLU 37 N -3.19 3.85 1.07 1.54 1.03 -1.26 -5.09 118.70 116.65 2nwt s GLU 37 Ca 0.47 0.33 -0.15 0.00 0.03 0.00 0.00 54.97 55.65 2nwt s GLU 37 Cb -0.11 -2.71 0.23 0.00 -0.80 0.00 0.00 34.13 30.74 2nwt s GLU 37 CO 0.25 0.35 1.12 -1.25 -1.33 0.00 0.00 175.26 174.40 2nwt s PRO 38 N -2.62 -0.19 0.17 -4.83 0.04 -1.26 -5.07 135.00 121.24 2nwt s PRO 38 Ca 0.45 0.20 0.11 0.00 0.04 0.00 0.00 61.00 61.80 2nwt s PRO 38 Cb -0.12 -1.69 -0.04 0.00 0.04 0.00 0.00 34.50 32.68 2nwt s PRO 38 CO 0.20 -3.08 -0.23 0.42 0.04 0.00 0.00 177.00 174.35 2nwt s ILE 39 N -3.06 2.19 -0.46 0.56 1.01 -1.26 -5.07 121.20 115.12 2nwt s ILE 39 Ca 0.68 -1.92 0.07 0.00 0.00 0.00 0.00 60.65 59.48 2nwt s ILE 39 Cb -0.14 -2.01 0.23 0.00 0.01 0.00 0.00 42.46 40.55 2nwt s ILE 39 CO 0.56 -0.10 0.72 -0.67 0.00 0.00 0.00 174.94 175.45 2nwt n ASP 40 N 0.47 -1.90 -4.78 3.58 -0.08 -1.26 -5.14 116.55 107.44 2nwt n ASP 40 Ca -0.14 -3.01 -0.38 0.00 -1.51 0.00 0.00 54.79 49.75 2nwt n ASP 40 Cb 0.55 0.93 -0.06 0.00 2.34 0.00 0.00 41.12 44.88 2nwt n ASP 40 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 2nwt s LEU 41 N -0.58 4.41 -0.31 -2.67 2.96 -1.26 -5.01 118.68 116.22 2nwt s LEU 41 Ca 0.33 1.02 -0.29 0.00 -0.22 0.00 0.00 54.13 54.97 2nwt s LEU 41 Cb 0.17 -2.76 -0.02 0.00 0.50 0.00 0.00 46.19 44.09 2nwt s LEU 41 CO -0.18 0.16 1.68 -0.83 -1.32 0.00 0.00 176.35 175.86 2nwt s GLY 42 N -0.34 0.97 -0.38 7.98 0.00 -1.26 -4.96 107.32 109.34 2nwt s GLY 42 Ca 0.27 0.25 -0.19 0.00 0.00 0.00 0.00 44.72 45.05 2nwt s GLY 42 CO 0.14 3.10 0.54 1.85 0.00 0.00 0.00 173.10 178.74 2nwt s GLU 43 N 5.24 3.47 -0.30 2.90 2.12 -1.26 -5.03 118.70 125.85 2nwt s GLU 43 Ca 0.74 -0.28 -0.29 0.00 0.36 0.00 0.00 54.97 55.51 2nwt s GLU 43 Cb -0.22 -3.86 -0.00 0.00 0.26 0.00 0.00 34.13 30.30 2nwt s GLU 43 CO 0.32 -0.77 1.42 -2.14 -0.54 0.00 0.00 175.26 173.56 2nwt s PRO 44 N 2.49 3.80 0.31 4.30 0.02 -1.26 -5.01 135.00 139.64 2nwt s PRO 44 Ca 0.19 1.30 0.09 0.00 0.02 0.00 0.00 61.00 62.60 2nwt s PRO 44 Cb -0.15 -3.96 -0.05 0.00 0.02 0.00 0.00 34.50 30.36 2nwt s PRO 44 CO 0.15 -1.28 0.03 0.54 -0.33 0.00 0.00 177.00 176.11 2nwt s VAL 45 N 4.89 2.98 0.82 3.83 0.11 -1.26 -5.12 120.40 126.65 2nwt s VAL 45 Ca 0.62 -1.90 -0.10 0.00 -2.93 0.00 0.00 61.98 57.66 2nwt s VAL 45 Cb -0.18 -2.83 0.09 0.00 -1.53 0.00 0.00 36.38 31.92 2nwt s VAL 45 CO 0.27 -0.26 1.11 -0.44 -3.33 0.00 0.00 175.10 172.45 2nwt s SER 46 N -3.73 3.93 -0.10 3.54 0.01 -1.26 -5.03 113.70 111.07 2nwt s SER 46 Ca 0.34 1.93 0.01 0.00 1.31 0.00 0.00 55.95 59.54 2nwt s SER 46 Cb -0.03 -2.53 -0.02 0.00 0.21 0.00 0.00 66.02 63.65 2nwt s SER 46 CO 0.20 -2.42 -0.11 0.54 0.41 0.00 0.00 173.24 171.86 2nwt s VAL 47 N -2.82 3.25 -0.13 3.43 0.11 -1.26 -5.10 120.40 117.88 2nwt s VAL 47 Ca 0.63 -0.62 0.01 0.00 -2.93 0.00 0.00 61.98 59.07 2nwt s VAL 47 Cb -0.19 -2.34 0.02 0.00 -1.53 0.00 0.00 36.38 32.34 2nwt s VAL 47 CO 0.57 0.55 -0.13 -1.61 -3.33 0.00 0.00 175.10 171.15 2nwt s GLU 48 N -0.12 2.08 0.16 1.54 2.02 -1.26 -5.01 118.70 118.11 2nwt s GLU 48 Ca -0.01 -0.48 0.16 0.00 0.02 0.00 0.00 54.97 54.66 2nwt s GLU 48 Cb -0.13 -1.91 -0.05 0.00 0.10 0.00 0.00 34.13 32.13 2nwt s GLU 48 CO 0.03 -0.20 1.12 1.05 0.02 0.00 0.00 175.26 177.29 2nwt h GLU 49 N 7.90 0.00 -0.06 1.61 4.11 -2.02 -3.25 114.58 122.88 2nwt h GLU 49 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.09 2nwt h GLU 49 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2nwt h GLU 49 CO 0.49 0.41 0.00 -0.89 0.07 0.00 0.00 179.01 179.09 2nwt n ILE 50 N -3.06 0.07 -2.36 -1.06 2.08 -1.26 -4.89 119.36 108.88 2nwt n ILE 50 Ca -0.04 -0.24 -0.41 0.00 0.56 0.00 0.00 62.75 62.61 2nwt n ILE 50 Cb 0.80 0.32 -0.03 0.00 -0.75 0.00 0.00 39.64 39.97 2nwt n ILE 50 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2nwt s LYS 51 N -1.93 4.46 -0.09 0.38 2.20 -1.23 -4.51 119.74 119.02 2nwt s LYS 51 Ca 0.37 1.88 -0.07 0.00 -0.36 0.00 0.00 55.97 57.79 2nwt s LYS 51 Cb 0.19 -3.25 0.03 0.00 -1.51 0.00 0.00 37.83 33.29 2nwt s LYS 51 CO 0.31 -0.15 0.14 1.17 -0.36 0.00 0.00 175.35 176.46 2nwt n LYS 52 N 2.84 -4.93 -2.64 4.03 4.81 -1.26 -4.94 118.16 116.07 2nwt n LYS 52 Ca 0.06 3.64 -0.42 0.00 -0.87 0.00 0.00 58.31 60.71 2nwt n LYS 52 Cb 0.45 -4.93 -0.03 0.00 0.02 0.00 0.00 35.03 30.54 2nwt n LYS 52 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 2nwt s ILE 53 N -0.64 4.67 -0.25 3.15 1.10 -1.26 -5.03 121.20 122.94 2nwt s ILE 53 Ca -0.16 1.93 -0.04 0.00 -0.51 0.00 0.00 60.65 61.87 2nwt s ILE 53 Cb 0.01 -4.24 0.01 0.00 0.15 0.00 0.00 42.46 38.39 2nwt s ILE 53 CO 0.42 0.08 -0.03 -0.60 -2.11 0.00 0.00 174.94 172.70 2nwt s ARG 54 N 1.52 3.11 0.15 3.50 3.52 -1.26 -5.10 118.95 124.39 2nwt s ARG 54 Ca 0.52 -0.81 0.07 0.00 -0.13 0.00 0.00 55.73 55.38 2nwt s ARG 54 Cb -0.21 -3.07 -0.04 0.00 -1.56 0.00 0.00 34.95 30.06 2nwt s ARG 54 CO 0.24 -0.33 -0.02 0.34 -0.81 0.00 0.00 175.30 174.72 2nwt s ASP 55 N 1.42 4.70 -0.38 -2.12 -1.08 -1.26 -5.05 116.67 112.91 2nwt s ASP 55 Ca 0.03 -0.38 0.06 0.00 -0.52 0.00 0.00 52.55 51.73 2nwt s ASP 55 Cb -0.16 -0.99 0.48 0.00 -1.46 0.00 0.00 42.92 40.80 2nwt s ASP 55 CO -0.03 0.11 1.50 0.61 0.52 0.00 0.00 175.17 177.89 2nwt n GLY 56 N 0.10 5.64 3.82 2.66 0.00 -1.26 -5.02 105.19 111.13 2nwt n GLY 56 Ca -0.10 -1.97 -0.33 0.00 0.00 0.00 0.00 46.02 43.62 2nwt n GLY 56 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2nwt s THR 57 N -4.07 4.34 -0.15 2.61 -1.32 -1.26 -5.07 115.64 110.72 2nwt s THR 57 Ca 0.51 1.41 -0.11 0.00 -1.21 0.00 0.00 61.69 62.30 2nwt s THR 57 Cb 0.43 -3.60 0.05 0.00 -1.51 0.00 0.00 72.50 67.87 2nwt s THR 57 CO 0.01 -0.36 0.39 0.86 -2.21 0.00 0.00 174.62 173.31 2nwt s TRP 58 N -2.22 -0.51 -0.18 9.09 -0.11 -1.26 -5.14 118.94 118.61 2nwt s TRP 58 Ca 0.62 1.14 -0.22 0.00 1.22 0.00 0.00 56.10 58.87 2nwt s TRP 58 Cb -0.10 0.20 -0.02 0.00 -1.50 0.00 0.00 33.47 32.05 2nwt s TRP 58 CO 0.16 -0.28 0.67 1.41 -4.62 0.00 0.00 176.95 174.30 2nwt s MET 59 N 0.88 4.24 -0.33 5.86 -2.45 -1.26 -5.03 119.30 121.21 2nwt s MET 59 Ca -0.05 0.71 -0.15 0.00 -1.25 0.00 0.00 55.69 54.94 2nwt s MET 59 Cb -0.06 -3.57 -0.02 0.00 1.25 0.00 0.00 34.83 32.43 2nwt s MET 59 CO -0.07 -0.24 0.38 -1.12 1.05 0.00 0.00 175.02 175.02 2nwt s SER 60 N 1.16 6.21 -0.08 1.11 0.01 -1.26 -4.94 113.70 115.92 2nwt s SER 60 Ca 0.31 -0.08 0.03 0.00 1.31 0.00 0.00 55.95 57.52 2nwt s SER 60 Cb -0.16 -2.21 0.22 0.00 0.21 0.00 0.00 66.02 64.08 2nwt s SER 60 CO 0.11 -0.32 0.91 -1.20 0.41 0.00 0.00 173.24 173.15 2nwt n SER 61 N 5.42 2.46 -4.59 2.44 7.64 -1.26 -4.86 113.62 120.86 2nwt n SER 61 Ca -0.08 -2.29 -0.42 0.00 1.01 0.00 0.00 58.87 57.09 2nwt n SER 61 Cb 0.50 -0.56 -0.03 0.00 -1.01 0.00 0.00 64.21 63.11 2nwt n SER 61 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2nwt s LEU 62 N -0.78 3.44 0.23 -3.43 2.96 -1.26 -4.94 118.68 114.90 2nwt s LEU 62 Ca 0.15 1.44 0.09 0.00 -0.22 0.00 0.00 54.13 55.59 2nwt s LEU 62 Cb 0.12 -3.27 -0.05 0.00 0.50 0.00 0.00 46.19 43.49 2nwt s LEU 62 CO 0.04 -2.06 -0.16 -1.83 -1.32 0.00 0.00 176.35 171.02 2nwt s GLU 63 N 6.49 1.44 -0.43 1.98 -1.05 -1.26 -5.11 118.70 120.77 2nwt s GLU 63 Ca 0.91 -1.65 0.02 0.00 -0.15 0.00 0.00 54.97 54.10 2nwt s GLU 63 Cb -0.25 -1.31 0.12 0.00 -0.44 0.00 0.00 34.13 32.25 2nwt s GLU 63 CO 0.32 0.22 0.19 -3.38 0.95 0.00 0.00 175.26 173.57 2nwt s HIS 64 N -2.84 2.51 -0.06 4.83 -3.43 -1.26 -5.09 115.29 109.95 2nwt s HIS 64 Ca 0.25 -2.60 0.00 0.00 -0.80 0.00 0.00 55.06 51.91 2nwt s HIS 64 Cb -0.02 -2.25 0.02 0.00 -1.43 0.00 0.00 32.58 28.90 2nwt s HIS 64 CO 0.09 -0.81 -0.03 -1.01 -2.00 0.00 0.00 174.74 170.98 2nwt s HIS 65 N 0.46 0.76 0.01 0.38 3.76 -1.26 -4.96 115.29 114.44 2nwt s HIS 65 Ca 0.15 -0.23 0.00 0.00 -0.15 0.00 0.00 55.06 54.84 2nwt s HIS 65 Cb -0.23 -0.75 0.00 0.00 1.11 0.00 0.00 32.58 32.71 2nwt s HIS 65 CO -0.05 -0.26 0.00 0.72 -0.85 0.00 0.00 174.74 174.30 2nwt n HIS 66 N 4.52 -0.13 -1.83 1.40 8.25 -1.26 -5.03 115.22 121.13 2nwt n HIS 66 Ca -0.17 0.02 -0.20 0.00 -0.26 0.00 0.00 57.72 57.11 2nwt n HIS 66 Cb 0.50 0.50 -0.06 0.00 1.12 0.00 0.00 29.99 32.06 2nwt n HIS 66 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2nwt n HIS 67 N -2.55 -0.36 -3.35 4.41 8.25 -1.26 -4.96 115.22 115.40 2nwt n HIS 67 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.05 2nwt n HIS 67 Cb 0.00 -3.51 -0.09 0.00 1.12 0.00 0.00 29.99 27.51 2nwt n HIS 67 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2nwt s HIS 68 N -2.78 3.20 -2.13 4.41 5.04 -1.26 -5.37 115.29 116.39 2nwt s HIS 68 Ca 0.00 0.02 0.17 0.00 -1.54 0.00 0.00 55.06 53.71 2nwt s HIS 68 Cb 0.00 -2.75 0.14 0.00 0.04 0.00 0.00 32.58 30.00 2nwt s HIS 68 CO 0.00 -0.48 1.04 -2.39 -2.34 0.00 0.00 174.74 170.57