#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nwt s PRO 2 N 0.00 4.40 0.42 0.03 0.04 -1.26 -5.08 135.00 133.54 2nwt s PRO 2 Ca 0.00 0.93 0.05 0.00 0.04 0.00 0.00 61.00 62.02 2nwt s PRO 2 Cb 0.00 -3.30 0.00 0.00 0.04 0.00 0.00 34.50 31.25 2nwt s PRO 2 CO 0.00 0.48 0.59 0.15 0.04 0.00 0.00 177.00 178.26 2nwt s LYS 3 N -0.67 2.93 -0.21 4.56 1.02 -1.26 -5.10 119.74 121.01 2nwt s LYS 3 Ca 0.33 -0.93 -0.09 0.00 0.02 0.00 0.00 55.97 55.30 2nwt s LYS 3 Cb -0.20 -2.69 -0.04 0.00 -0.52 0.00 0.00 37.83 34.37 2nwt s LYS 3 CO 0.22 -0.23 0.11 0.96 -0.92 0.00 0.00 175.35 175.49 2nwt s ILE 4 N -2.40 5.07 0.13 2.17 -0.00 -1.26 -5.09 121.20 119.82 2nwt s ILE 4 Ca 0.51 0.07 -0.08 0.00 -0.00 0.00 0.00 60.65 61.15 2nwt s ILE 4 Cb -0.10 -3.33 -0.06 0.00 -0.00 0.00 0.00 42.46 38.97 2nwt s ILE 4 CO 0.34 0.40 0.42 -0.63 -0.00 0.00 0.00 174.94 175.47 2nwt s ILE 5 N 0.74 5.09 -0.09 8.37 -1.09 -1.26 -5.09 121.20 127.87 2nwt s ILE 5 Ca 0.06 0.31 0.01 0.00 -2.23 0.00 0.00 60.65 58.80 2nwt s ILE 5 Cb -0.13 -3.63 -0.02 0.00 -1.58 0.00 0.00 42.46 37.10 2nwt s ILE 5 CO 0.02 0.13 -0.13 -1.61 -1.23 0.00 0.00 174.94 172.12 2nwt s GLU 6 N -2.35 2.99 0.07 2.79 2.02 -1.26 -5.06 118.70 117.90 2nwt s GLU 6 Ca 0.39 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.71 2nwt s GLU 6 Cb -0.13 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.54 2nwt s GLU 6 CO 0.21 0.41 -0.06 0.00 0.02 0.00 0.00 175.26 175.84 2nwt s ALA 7 N -0.17 0.77 -0.28 5.21 0.00 -1.26 0.23 121.76 126.25 2nwt s ALA 7 Ca -0.00 -1.12 -0.05 0.00 0.00 0.00 0.00 51.96 50.78 2nwt s ALA 7 Cb -0.13 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.13 2nwt s ALA 7 CO 0.03 -0.18 0.04 0.14 0.00 0.00 0.00 175.76 175.79 2nwt s VAL 8 N -2.88 3.66 -0.62 0.00 -7.23 0.21 -4.83 120.40 108.71 2nwt s VAL 8 Ca 0.03 -0.77 -0.27 0.00 -1.81 0.00 0.00 61.98 59.17 2nwt s VAL 8 Cb 0.00 -2.87 -0.00 0.00 0.56 0.00 0.00 36.38 34.07 2nwt s VAL 8 CO -0.04 0.13 1.62 -0.47 -0.31 0.00 0.00 175.10 176.03 2nwt s TYR 9 N 1.45 1.95 -0.25 2.82 5.04 -1.24 -0.24 117.35 126.88 2nwt s TYR 9 Ca 0.02 0.50 -0.06 0.00 -2.44 0.00 0.00 57.07 55.09 2nwt s TYR 9 Cb -0.17 -4.29 -0.02 0.00 0.35 0.00 0.00 41.96 37.83 2nwt s TYR 9 CO 0.00 -2.22 0.04 -1.21 -1.34 0.00 0.00 175.55 170.82 2nwt s GLU 10 N 6.34 3.49 -1.88 4.97 2.02 0.25 -4.67 118.70 129.21 2nwt s GLU 10 Ca 0.57 -0.58 0.00 0.00 0.02 0.00 0.00 54.97 54.98 2nwt s GLU 10 Cb -0.12 -3.24 0.00 0.00 0.10 0.00 0.00 34.13 30.88 2nwt s GLU 10 CO 0.21 -0.23 0.00 -1.71 0.02 0.00 0.00 175.26 173.55 2nwt n ASN 11 N 4.88 -5.20 0.00 -0.19 4.05 -1.26 -0.96 115.26 116.58 2nwt n ASN 11 Ca -0.17 0.40 0.00 0.00 0.45 0.00 0.00 54.58 55.26 2nwt n ASN 11 Cb 0.51 -4.29 0.00 0.00 1.23 0.00 0.00 39.78 37.23 2nwt n ASN 11 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2nwt n GLY 12 N -0.78 0.95 3.32 8.20 0.00 -1.26 -5.09 105.19 110.54 2nwt n GLY 12 Ca -0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.53 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 2.07 -0.34 1.61 1.01 -0.13 -5.10 120.40 117.51 2nwt s VAL 13 Ca 0.00 -1.27 -0.18 0.00 0.00 0.00 0.00 61.98 60.53 2nwt s VAL 13 Cb 0.00 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 2nwt s VAL 13 CO 0.00 0.44 0.53 -0.36 0.00 0.00 0.00 175.10 175.71 2nwt s PHE 14 N -0.73 3.19 -0.37 5.22 0.08 -1.26 0.87 117.98 124.98 2nwt s PHE 14 Ca 0.11 0.27 -0.08 0.00 0.12 0.00 0.00 56.93 57.35 2nwt s PHE 14 Cb -0.10 -2.93 0.05 0.00 -0.57 0.00 0.00 43.02 39.46 2nwt s PHE 14 CO 0.01 -0.52 0.17 0.15 -0.10 0.00 0.00 175.22 174.93 2nwt s LYS 15 N 2.44 2.66 1.12 0.44 -0.14 0.66 -4.87 119.74 122.05 2nwt s LYS 15 Ca 0.20 -1.22 -0.12 0.00 -1.36 0.00 0.00 55.97 53.46 2nwt s LYS 15 Cb -0.15 -3.61 0.26 0.00 -1.68 0.00 0.00 37.83 32.65 2nwt s LYS 15 CO 0.13 -0.74 1.05 -1.25 -0.76 0.00 0.00 175.35 173.78 2nwt s PRO 16 N 1.44 -0.58 0.00 -1.68 0.04 -1.26 0.67 135.00 133.64 2nwt s PRO 16 Ca 0.00 0.99 0.19 0.00 0.04 0.00 0.00 61.00 62.23 2nwt s PRO 16 Cb -0.20 -1.58 -0.06 0.00 0.04 0.00 0.00 34.50 32.70 2nwt s PRO 16 CO 0.04 -3.54 0.93 1.28 0.04 0.00 0.00 177.00 175.74 2nwt n LEU 17 N -4.81 1.60 -3.66 -3.56 4.77 0.13 -4.66 117.00 106.82 2nwt n LEU 17 Ca 0.05 -0.70 -0.25 0.00 -0.03 0.00 0.00 56.01 55.08 2nwt n LEU 17 Cb 0.54 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.46 2nwt n LEU 17 CO 0.56 0.31 -0.34 0.00 -1.33 0.00 0.00 177.39 176.59 2nwt s GLN 18 N -2.33 0.22 0.26 3.23 -2.07 -1.26 -5.06 119.66 112.65 2nwt s GLN 18 Ca 0.14 -0.09 -0.31 0.00 -1.82 0.00 0.00 55.36 53.28 2nwt s GLN 18 Cb 0.15 -1.67 -0.11 0.00 -1.09 0.00 0.00 33.01 30.29 2nwt s GLN 18 CO 0.56 -0.59 1.62 0.21 -1.32 0.00 0.00 175.29 175.77 2nwt s LYS 19 N 2.07 4.14 -0.04 9.60 2.36 -1.26 -4.96 119.74 131.65 2nwt s LYS 19 Ca 0.02 2.56 0.04 0.00 -2.55 0.00 0.00 55.97 56.04 2nwt s LYS 19 Cb -0.15 -3.05 -0.03 0.00 -1.05 0.00 0.00 37.83 33.55 2nwt s LYS 19 CO -0.08 -0.66 -0.13 0.08 1.55 0.00 0.00 175.35 176.12 2nwt s VAL 20 N 0.43 3.17 -0.63 4.02 1.01 -1.26 -5.06 120.40 122.07 2nwt s VAL 20 Ca 0.67 -0.75 0.01 0.00 0.00 0.00 0.00 61.98 61.91 2nwt s VAL 20 Cb -0.48 -2.27 0.16 0.00 0.00 0.00 0.00 36.38 33.79 2nwt s VAL 20 CO 0.42 0.54 0.42 -0.62 0.00 0.00 0.00 175.10 175.86 2nwt s ASP 21 N -0.89 4.90 0.00 3.32 2.15 -1.26 -5.02 116.67 119.87 2nwt s ASP 21 Ca 0.13 -3.18 0.00 0.00 0.43 0.00 0.00 52.55 49.93 2nwt s ASP 21 Cb -0.11 -1.74 0.00 0.00 -0.30 0.00 0.00 42.92 40.77 2nwt s ASP 21 CO 0.02 -0.25 0.00 0.18 -0.17 0.00 0.00 175.17 174.95 2nwt n LEU 22 N 2.96 0.00 -4.96 -1.34 4.77 -1.26 -5.17 117.00 112.01 2nwt n LEU 22 Ca 0.10 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.82 2nwt n LEU 22 Cb 0.35 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.58 2nwt n LEU 22 CO 0.33 0.00 0.71 -0.54 -1.33 0.00 0.00 177.39 176.56 2nwt s LYS 23 N 1.14 1.29 -0.20 3.23 1.02 -1.26 -5.03 119.74 119.92 2nwt s LYS 23 Ca 0.00 -0.68 -0.20 0.00 0.02 0.00 0.00 55.97 55.11 2nwt s LYS 23 Cb 0.00 -2.09 -0.03 0.00 -0.52 0.00 0.00 37.83 35.19 2nwt s LYS 23 CO 0.00 -1.85 0.61 -1.21 -0.92 0.00 0.00 175.35 171.98 2nwt s GLU 24 N -5.49 4.20 -0.47 1.68 8.01 -1.26 -3.91 118.70 121.46 2nwt s GLU 24 Ca 0.69 0.57 -0.02 0.00 0.01 0.00 0.00 54.97 56.22 2nwt s GLU 24 Cb -0.05 -3.58 -0.02 0.00 -4.31 0.00 0.00 34.13 26.17 2nwt s GLU 24 CO 0.48 -0.24 0.42 0.41 0.01 0.00 0.00 175.26 176.35 2nwt n GLY 25 N 3.85 -0.46 3.87 -1.39 0.00 -1.26 -5.07 105.19 104.72 2nwt n GLY 25 Ca -0.02 0.16 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 2nwt n GLY 25 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2nwt s GLU 26 N -3.38 3.76 -0.25 1.61 2.56 -1.25 -5.06 118.70 116.68 2nwt s GLU 26 Ca 0.13 0.18 -0.17 0.00 0.00 0.00 0.00 54.97 55.11 2nwt s GLU 26 Cb -0.02 -3.03 -0.03 0.00 2.00 0.00 0.00 34.13 33.05 2nwt s GLU 26 CO 0.39 0.58 0.45 1.03 -0.56 0.00 0.00 175.26 177.15 2nwt s ARG 27 N -1.81 4.07 0.04 4.30 3.00 -1.26 -5.04 118.95 122.25 2nwt s ARG 27 Ca 0.31 0.21 0.00 0.00 0.00 0.00 0.00 55.73 56.26 2nwt s ARG 27 Cb -0.14 -3.64 -0.03 0.00 0.00 0.00 0.00 34.95 31.14 2nwt s ARG 27 CO 0.17 -0.28 -0.04 0.14 0.00 0.00 0.00 175.30 175.29 2nwt s VAL 28 N 2.09 0.29 -0.04 3.52 -7.23 -1.26 -5.16 120.40 112.61 2nwt s VAL 28 Ca 0.19 -1.37 0.04 0.00 -1.81 0.00 0.00 61.98 59.03 2nwt s VAL 28 Cb -0.16 -0.92 -0.02 0.00 0.56 0.00 0.00 36.38 35.84 2nwt s VAL 28 CO 0.09 -0.70 -0.16 -0.54 -0.31 0.00 0.00 175.10 173.49 2nwt s LYS 29 N -2.61 2.44 -0.08 4.82 1.02 -1.26 -5.12 119.74 118.94 2nwt s LYS 29 Ca -0.04 -0.73 -0.04 0.00 0.02 0.00 0.00 55.97 55.18 2nwt s LYS 29 Cb -0.02 -2.32 -0.04 0.00 -0.52 0.00 0.00 37.83 34.93 2nwt s LYS 29 CO -0.04 0.61 0.07 0.42 -0.92 0.00 0.00 175.35 175.49 2nwt s ILE 30 N -0.71 4.86 -0.03 2.17 1.01 -1.26 -5.09 121.20 122.15 2nwt s ILE 30 Ca 0.11 -0.09 0.05 0.00 0.00 0.00 0.00 60.65 60.72 2nwt s ILE 30 Cb -0.10 -3.11 -0.01 0.00 0.01 0.00 0.00 42.46 39.25 2nwt s ILE 30 CO 0.00 0.57 -0.18 -0.54 0.00 0.00 0.00 174.94 174.79 2nwt s LYS 31 N -1.09 1.65 -0.26 2.79 3.01 -1.26 -5.11 119.74 119.46 2nwt s LYS 31 Ca 0.16 -0.65 -0.08 0.00 -1.01 0.00 0.00 55.97 54.39 2nwt s LYS 31 Cb -0.12 -1.52 -0.02 0.00 -1.01 0.00 0.00 37.83 35.16 2nwt s LYS 31 CO 0.05 0.34 0.08 -0.51 0.51 0.00 0.00 175.35 175.83 2nwt s LEU 32 N -0.25 3.56 0.10 3.17 1.02 -1.26 -5.05 118.68 119.97 2nwt s LEU 32 Ca 0.03 -0.27 -0.31 0.00 0.02 0.00 0.00 54.13 53.60 2nwt s LEU 32 Cb -0.09 -1.94 -0.09 0.00 0.02 0.00 0.00 46.19 44.09 2nwt s LEU 32 CO 0.01 -0.06 1.64 -1.61 0.02 0.00 0.00 176.35 176.34 2nwt s GLU 33 N 1.61 4.20 0.27 1.70 0.41 -1.26 -4.96 118.70 120.67 2nwt s GLU 33 Ca 0.06 2.36 0.10 0.00 -0.41 0.00 0.00 54.97 57.08 2nwt s GLU 33 Cb -0.15 -3.46 -0.04 0.00 -1.78 0.00 0.00 34.13 28.69 2nwt s GLU 33 CO 0.04 -0.70 -0.05 -0.48 -0.49 0.00 0.00 175.26 173.58 2nwt s LEU 34 N 2.18 3.05 0.11 1.80 2.34 -1.26 -5.13 118.68 121.77 2nwt s LEU 34 Ca 0.73 -0.75 0.02 0.00 0.06 0.00 0.00 54.13 54.19 2nwt s LEU 34 Cb -0.42 -1.56 -0.04 0.00 -0.56 0.00 0.00 46.19 43.61 2nwt s LEU 34 CO 0.32 -0.00 0.23 -0.54 -1.06 0.00 0.00 176.35 175.30 2nwt s LYS 35 N -3.64 3.36 0.08 1.48 -0.14 -1.26 -5.10 119.74 114.51 2nwt s LYS 35 Ca 0.31 -0.56 -0.16 0.00 -1.36 0.00 0.00 55.97 54.20 2nwt s LYS 35 Cb -0.06 -2.95 -0.06 0.00 -1.68 0.00 0.00 37.83 33.07 2nwt s LYS 35 CO 0.19 0.56 0.51 0.54 -0.76 0.00 0.00 175.35 176.39 2nwt s VAL 36 N -1.62 4.87 -0.24 3.17 0.11 -1.26 -5.06 120.40 120.37 2nwt s VAL 36 Ca 0.34 0.96 -0.13 0.00 -2.93 0.00 0.00 61.98 60.22 2nwt s VAL 36 Cb -0.12 -3.79 -0.05 0.00 -1.53 0.00 0.00 36.38 30.90 2nwt s VAL 36 CO 0.27 0.45 0.25 -1.83 -3.33 0.00 0.00 175.10 170.92 2nwt s GLU 37 N -1.41 4.07 1.02 1.54 -1.05 -1.26 -5.09 118.70 116.53 2nwt s GLU 37 Ca 0.31 -0.12 -0.15 0.00 -0.15 0.00 0.00 54.97 54.86 2nwt s GLU 37 Cb -0.17 -3.57 0.20 0.00 -0.44 0.00 0.00 34.13 30.15 2nwt s GLU 37 CO 0.18 -0.05 1.15 -1.25 0.95 0.00 0.00 175.26 176.24 2nwt s PRO 38 N 1.37 0.21 0.34 -4.83 0.04 -1.26 -5.09 135.00 125.78 2nwt s PRO 38 Ca 0.11 0.09 0.09 0.00 0.04 0.00 0.00 61.00 61.33 2nwt s PRO 38 Cb -0.14 -1.75 -0.05 0.00 0.04 0.00 0.00 34.50 32.59 2nwt s PRO 38 CO 0.07 -2.79 0.01 0.96 0.04 0.00 0.00 177.00 175.29 2nwt s ILE 39 N -3.25 2.60 0.14 0.56 -4.36 -1.26 -5.15 121.20 110.47 2nwt s ILE 39 Ca 0.68 -1.98 0.02 0.00 -0.26 0.00 0.00 60.65 59.11 2nwt s ILE 39 Cb -0.12 -2.80 0.02 0.00 1.25 0.00 0.00 42.46 40.81 2nwt s ILE 39 CO 0.55 -0.20 0.16 -0.67 0.24 0.00 0.00 174.94 175.02 2nwt n ASP 40 N -0.95 0.82 -4.80 4.36 -0.08 -1.26 -5.10 116.55 109.53 2nwt n ASP 40 Ca -0.04 -1.39 -0.37 0.00 -1.51 0.00 0.00 54.79 51.47 2nwt n ASP 40 Cb 0.62 -0.07 -0.06 0.00 2.34 0.00 0.00 41.12 43.95 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 0.00 4.42 0.00 -2.67 2.96 -1.26 -5.07 118.68 117.06 2nwt s LEU 41 Ca 0.12 1.47 0.00 0.00 -0.22 0.00 0.00 54.13 55.50 2nwt s LEU 41 Cb -0.01 -3.47 0.00 0.00 0.50 0.00 0.00 46.19 43.21 2nwt s LEU 41 CO 0.08 0.09 0.00 0.61 -1.32 0.00 0.00 176.35 175.81 2nwt n GLY 42 N 1.02 1.11 3.88 7.98 0.00 -1.26 -5.06 105.19 112.86 2nwt n GLY 42 Ca -0.04 -1.47 -0.30 0.00 0.00 0.00 0.00 46.02 44.21 2nwt n GLY 42 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nwt s GLU 43 N 1.06 3.37 0.62 1.61 8.01 -1.26 -5.08 118.70 127.03 2nwt s GLU 43 Ca 0.00 0.59 -0.10 0.00 0.01 0.00 0.00 54.97 55.47 2nwt s GLU 43 Cb 0.00 -2.10 0.15 0.00 -4.31 0.00 0.00 34.13 27.88 2nwt s GLU 43 CO 0.00 -0.67 0.54 -2.30 0.01 0.00 0.00 175.26 172.84 2nwt n PRO 44 N -2.77 -2.17 -2.19 0.39 -0.02 -1.26 -5.03 135.00 121.95 2nwt n PRO 44 Ca 0.06 -0.86 -0.32 0.00 -2.02 0.00 0.00 63.50 60.36 2nwt n PRO 44 Cb 0.55 -0.82 -0.01 0.00 -0.02 0.00 0.00 33.50 33.20 2nwt n PRO 44 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2nwt s VAL 45 N -1.95 4.39 0.56 -1.45 1.01 -1.26 -5.07 120.40 116.62 2nwt s VAL 45 Ca 0.35 1.06 0.05 0.00 0.00 0.00 0.00 61.98 63.44 2nwt s VAL 45 Cb -0.04 -3.66 0.10 0.00 0.00 0.00 0.00 36.38 32.79 2nwt s VAL 45 CO 0.27 -0.74 0.77 -1.54 0.00 0.00 0.00 175.10 173.86 2nwt n SER 46 N -1.95 1.57 -4.39 3.32 3.41 -1.26 -5.10 113.62 109.23 2nwt n SER 46 Ca 0.07 -2.20 -0.35 0.00 -0.26 0.00 0.00 58.87 56.13 2nwt n SER 46 Cb 0.54 -0.45 -0.13 0.00 -0.26 0.00 0.00 64.21 63.91 2nwt n SER 46 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2nwt s VAL 47 N -2.34 3.62 0.58 -3.33 0.11 -1.26 -5.10 120.40 112.68 2nwt s VAL 47 Ca 0.55 -0.43 0.08 0.00 -2.93 0.00 0.00 61.98 59.25 2nwt s VAL 47 Cb -0.04 -2.62 0.08 0.00 -1.53 0.00 0.00 36.38 32.27 2nwt s VAL 47 CO 0.36 0.44 0.68 -1.61 -3.33 0.00 0.00 175.10 171.63 2nwt s GLU 48 N 1.07 2.24 0.26 1.54 8.01 -1.26 -5.00 118.70 125.56 2nwt s GLU 48 Ca 0.01 -1.83 -0.01 0.00 0.01 0.00 0.00 54.97 53.15 2nwt s GLU 48 Cb -0.15 -2.44 0.32 0.00 -4.31 0.00 0.00 34.13 27.56 2nwt s GLU 48 CO 0.00 -0.84 1.72 1.49 0.01 0.00 0.00 175.26 177.65 2nwt h GLU 49 N 0.32 0.72 -0.06 1.61 4.81 -1.99 -2.36 114.58 117.64 2nwt h GLU 49 Ca -0.31 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2nwt h GLU 49 Cb 1.30 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2nwt h GLU 49 CO 0.46 0.80 0.00 -0.89 -0.73 0.00 0.00 179.01 178.65 2nwt n ILE 50 N -4.18 0.06 1.20 2.32 5.41 -1.26 -3.46 119.36 119.46 2nwt n ILE 50 Ca 0.01 -0.25 0.13 0.00 1.00 0.00 0.00 62.75 63.64 2nwt n ILE 50 Cb 0.35 0.36 0.30 0.00 -0.71 0.00 0.00 39.64 39.94 2nwt n ILE 50 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2nwt n LYS 51 N 0.10 0.99 -2.42 0.38 3.00 -0.89 -5.01 118.16 114.31 2nwt n LYS 51 Ca 0.18 -0.65 -0.03 0.00 -0.00 0.00 0.00 58.31 57.81 2nwt n LYS 51 Cb 0.32 -1.49 -0.02 0.00 0.00 0.00 0.00 35.03 33.84 2nwt n LYS 51 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2nwt n LYS 52 N -0.44 -4.69 0.02 1.64 4.01 -1.22 -4.91 118.16 112.57 2nwt n LYS 52 Ca 0.12 3.48 -0.18 0.00 -0.51 0.00 0.00 58.31 61.23 2nwt n LYS 52 Cb 0.38 -4.73 -0.08 0.00 -0.51 0.00 0.00 35.03 30.09 2nwt n LYS 52 CO 0.00 0.00 0.00 0.82 -1.11 0.00 0.00 177.40 177.11 2nwt h ILE 53 N 3.99 1.30 -1.73 -0.18 2.04 -1.82 -3.47 117.51 117.63 2nwt h ILE 53 Ca -0.29 -2.17 0.00 0.00 1.00 0.00 0.00 64.86 63.40 2nwt h ILE 53 Cb 0.66 2.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.96 2nwt h ILE 53 CO 0.00 0.67 0.00 -2.11 0.00 0.00 0.00 178.15 176.72 2nwt n ARG 54 N -3.87 0.04 -1.55 2.37 1.85 -1.26 -5.13 116.66 109.11 2nwt n ARG 54 Ca -0.09 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.40 2nwt n ARG 54 Cb 0.82 0.00 0.08 0.00 -1.05 0.00 0.00 32.46 32.31 2nwt n ARG 54 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2nwt n ASP 55 N -2.06 1.58 -2.47 2.89 2.03 -1.26 -4.97 116.55 112.29 2nwt n ASP 55 Ca 0.00 0.76 -0.19 0.00 0.52 0.00 0.00 54.79 55.88 2nwt n ASP 55 Cb 0.00 -1.52 0.02 0.00 -0.72 0.00 0.00 41.12 38.90 2nwt n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2nwt n GLY 56 N 0.90 4.55 3.32 0.27 0.00 -1.26 -5.03 105.19 107.95 2nwt n GLY 56 Ca 0.15 -2.22 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 2nwt n GLY 56 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2nwt s THR 57 N -4.59 2.78 0.04 2.61 2.01 -1.26 -5.12 115.64 112.11 2nwt s THR 57 Ca 0.41 -0.76 0.00 0.00 0.31 0.00 0.00 61.69 61.66 2nwt s THR 57 Cb 0.41 -2.15 -0.03 0.00 0.01 0.00 0.00 72.50 70.74 2nwt s THR 57 CO -0.07 0.53 -0.04 0.86 -0.69 0.00 0.00 174.62 175.20 2nwt s TRP 58 N 0.41 0.50 -0.18 4.92 -0.00 -1.26 -5.13 118.94 118.20 2nwt s TRP 58 Ca -0.12 -0.73 -0.24 0.00 -0.00 0.00 0.00 56.10 55.01 2nwt s TRP 58 Cb -0.16 -0.33 -0.02 0.00 -0.00 0.00 0.00 33.47 32.95 2nwt s TRP 58 CO 0.06 -0.22 0.76 1.41 -0.00 0.00 0.00 176.95 178.96 2nwt s MET 59 N -2.51 4.27 0.02 5.86 -2.45 -1.26 -5.03 119.30 118.20 2nwt s MET 59 Ca -0.04 0.88 -0.25 0.00 -1.25 0.00 0.00 55.69 55.02 2nwt s MET 59 Cb -0.03 -3.57 -0.05 0.00 1.25 0.00 0.00 34.83 32.43 2nwt s MET 59 CO -0.04 -0.29 0.78 0.45 1.05 0.00 0.00 175.02 176.97 2nwt s SER 60 N 1.16 7.19 0.00 1.11 0.15 -1.26 -4.94 113.70 117.12 2nwt s SER 60 Ca 0.35 1.42 0.26 0.00 0.70 0.00 0.00 55.95 58.68 2nwt s SER 60 Cb -0.16 -2.47 1.44 0.00 -1.71 0.00 0.00 66.02 63.12 2nwt s SER 60 CO 0.12 -0.05 1.94 -0.24 1.20 0.00 0.00 173.24 176.21 2nwt n SER 61 N 3.15 0.27 -0.96 5.45 2.88 -1.26 -5.01 113.62 118.13 2nwt n SER 61 Ca -0.01 -1.26 0.03 0.00 -1.33 0.00 0.00 58.87 56.30 2nwt n SER 61 Cb 0.50 -0.01 -0.01 0.00 -0.75 0.00 0.00 64.21 63.95 2nwt n SER 61 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2nwt n LEU 62 N -0.71 0.00 -4.71 2.46 4.77 -1.26 -4.74 117.00 112.81 2nwt n LEU 62 Ca 0.19 0.23 -0.37 0.00 -0.03 0.00 0.00 56.01 56.04 2nwt n LEU 62 Cb 0.13 -0.66 -0.08 0.00 -2.33 0.00 0.00 43.42 40.49 2nwt n LEU 62 CO 0.15 -1.54 -0.03 -1.61 -1.33 0.00 0.00 177.39 173.03 2nwt s GLU 63 N -0.35 4.21 -0.01 3.23 0.41 -1.26 -4.92 118.70 120.02 2nwt s GLU 63 Ca 0.00 0.04 0.05 0.00 -0.41 0.00 0.00 54.97 54.65 2nwt s GLU 63 Cb 0.00 -3.47 -0.07 0.00 -1.78 0.00 0.00 34.13 28.81 2nwt s GLU 63 CO 0.00 0.16 0.13 -2.39 -0.49 0.00 0.00 175.26 172.66 2nwt n HIS 64 N 3.87 0.00 -4.52 1.61 1.44 -1.26 -5.12 115.22 111.24 2nwt n HIS 64 Ca -0.12 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.59 2nwt n HIS 64 Cb 0.52 -0.10 0.00 0.00 0.12 0.00 0.00 29.99 30.53 2nwt n HIS 64 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2nwt n HIS 65 N -1.58 -0.82 -4.22 -1.40 8.25 -1.26 -4.85 115.22 109.34 2nwt n HIS 65 Ca -0.01 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.26 2nwt n HIS 65 Cb 0.12 0.17 -0.12 0.00 1.12 0.00 0.00 29.99 31.29 2nwt n HIS 65 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2nwt s HIS 66 N 0.00 1.41 -0.06 4.41 3.76 -1.26 -5.15 115.29 118.40 2nwt s HIS 66 Ca 0.00 -0.49 0.03 0.00 -0.15 0.00 0.00 55.06 54.45 2nwt s HIS 66 Cb 0.00 -0.76 0.01 0.00 1.11 0.00 0.00 32.58 32.94 2nwt s HIS 66 CO 0.00 0.13 -0.13 -3.38 -0.85 0.00 0.00 174.74 170.51 2nwt s HIS 67 N -1.63 1.47 0.39 1.40 -3.43 -1.26 -5.14 115.29 107.10 2nwt s HIS 67 Ca 0.04 -0.51 0.04 0.00 -0.80 0.00 0.00 55.06 53.84 2nwt s HIS 67 Cb -0.08 -1.06 -0.03 0.00 -1.43 0.00 0.00 32.58 29.99 2nwt s HIS 67 CO 0.03 -0.24 0.14 -1.01 -2.00 0.00 0.00 174.74 171.66 2nwt s HIS 68 N 0.51 1.77 0.00 0.38 3.76 -1.26 -5.34 115.29 115.11 2nwt s HIS 68 Ca -0.12 -1.32 0.00 0.00 -0.15 0.00 0.00 55.06 53.47 2nwt s HIS 68 Cb -0.14 -1.10 0.00 0.00 1.11 0.00 0.00 32.58 32.45 2nwt s HIS 68 CO 0.03 -0.36 0.00 0.72 -0.85 0.00 0.00 174.74 174.28