#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 3.14 0.60 0.03 0.04 -1.26 -4.96 135.00 132.59 2nwt s PRO 2 Ca 0.00 1.51 -0.17 0.00 0.04 0.00 0.00 61.00 62.38 2nwt s PRO 2 Cb 0.00 -4.28 -0.03 0.00 0.04 0.00 0.00 34.50 30.23 2nwt s PRO 2 CO 0.00 -2.09 1.10 0.15 0.04 0.00 0.00 177.00 176.20 2nwt s LYS 3 N 6.12 3.15 -0.04 4.56 1.02 -1.26 -5.05 119.74 128.23 2nwt s LYS 3 Ca 0.85 1.41 0.06 0.00 0.02 0.00 0.00 55.97 58.31 2nwt s LYS 3 Cb -0.24 -2.00 -0.02 0.00 -0.52 0.00 0.00 37.83 35.06 2nwt s LYS 3 CO 0.32 -0.97 -0.22 0.96 -0.92 0.00 0.00 175.35 174.52 2nwt s ILE 4 N -2.17 2.40 -0.02 2.17 -0.00 -1.26 -5.13 121.20 117.20 2nwt s ILE 4 Ca 0.68 -0.96 0.01 0.00 -0.00 0.00 0.00 60.65 60.38 2nwt s ILE 4 Cb -0.20 -1.89 -0.03 0.00 -0.00 0.00 0.00 42.46 40.34 2nwt s ILE 4 CO 0.34 0.58 -0.01 -0.63 -0.00 0.00 0.00 174.94 175.22 2nwt s ILE 5 N -0.47 4.12 -0.26 8.37 -1.09 -1.26 -5.09 121.20 125.50 2nwt s ILE 5 Ca 0.06 -0.56 -0.13 0.00 -2.23 0.00 0.00 60.65 57.79 2nwt s ILE 5 Cb -0.11 -2.81 -0.04 0.00 -1.58 0.00 0.00 42.46 37.91 2nwt s ILE 5 CO 0.01 0.42 0.28 -1.61 -1.23 0.00 0.00 174.94 172.81 2nwt s GLU 6 N -1.41 4.01 0.25 2.79 8.01 -1.26 -5.01 118.70 126.08 2nwt s GLU 6 Ca 0.18 -0.11 0.04 0.00 0.01 0.00 0.00 54.97 55.09 2nwt s GLU 6 Cb -0.11 -3.63 -0.05 0.00 -4.31 0.00 0.00 34.13 26.02 2nwt s GLU 6 CO 0.08 -0.18 -0.01 0.00 0.01 0.00 0.00 175.26 175.17 2nwt s ALA 7 N 1.76 1.96 -0.24 5.21 0.00 -1.26 0.12 121.76 129.31 2nwt s ALA 7 Ca 0.12 -1.81 -0.00 0.00 0.00 0.00 0.00 51.96 50.26 2nwt s ALA 7 Cb -0.15 0.44 0.03 0.00 0.00 0.00 0.00 23.12 23.44 2nwt s ALA 7 CO 0.09 -0.22 -0.10 0.14 0.00 0.00 0.00 175.76 175.67 2nwt s VAL 8 N -3.33 2.54 -0.48 0.00 -7.23 0.17 -4.87 120.40 107.20 2nwt s VAL 8 Ca 0.29 -1.15 -0.28 0.00 -1.81 0.00 0.00 61.98 59.04 2nwt s VAL 8 Cb 0.05 -2.29 -0.01 0.00 0.56 0.00 0.00 36.38 34.70 2nwt s VAL 8 CO 0.10 0.22 1.65 -0.47 -0.31 0.00 0.00 175.10 176.28 2nwt s TYR 9 N 1.27 2.00 -0.08 2.82 5.04 -1.26 -0.99 117.35 126.14 2nwt s TYR 9 Ca -0.01 0.63 0.04 0.00 -2.44 0.00 0.00 57.07 55.30 2nwt s TYR 9 Cb -0.17 -4.22 -0.00 0.00 0.35 0.00 0.00 41.96 37.92 2nwt s TYR 9 CO -0.06 -2.36 -0.22 -1.21 -1.34 0.00 0.00 175.55 170.36 2nwt s GLU 10 N 5.86 2.64 -1.50 4.97 2.02 0.16 -4.79 118.70 128.06 2nwt s GLU 10 Ca 0.66 -0.80 0.00 0.00 0.02 0.00 0.00 54.97 54.85 2nwt s GLU 10 Cb -0.15 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 31.99 2nwt s GLU 10 CO 0.28 0.21 0.00 0.09 0.02 0.00 0.00 175.26 175.86 2nwt n ASN 11 N 3.39 -4.39 0.00 -0.19 4.13 -1.26 -0.50 115.26 116.43 2nwt n ASN 11 Ca -0.19 0.25 0.00 0.00 1.68 0.00 0.00 54.58 56.32 2nwt n ASN 11 Cb 0.53 -3.85 0.00 0.00 -1.54 0.00 0.00 39.78 34.92 2nwt n ASN 11 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2nwt n GLY 12 N -0.58 0.60 3.16 7.41 0.00 -1.26 -5.07 105.19 109.45 2nwt n GLY 12 Ca -0.17 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 2nwt n GLY 12 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nwt s VAL 13 N -2.01 1.29 -0.34 1.61 -7.23 0.34 -5.11 120.40 108.95 2nwt s VAL 13 Ca 0.00 -0.91 -0.18 0.00 -1.81 0.00 0.00 61.98 59.08 2nwt s VAL 13 Cb 0.00 -1.12 -0.01 0.00 0.56 0.00 0.00 36.38 35.81 2nwt s VAL 13 CO 0.00 0.19 0.49 -0.36 -0.31 0.00 0.00 175.10 175.11 2nwt s PHE 14 N -0.64 3.19 -0.31 2.82 0.08 -1.26 0.35 117.98 122.21 2nwt s PHE 14 Ca 0.05 0.20 -0.09 0.00 0.12 0.00 0.00 56.93 57.21 2nwt s PHE 14 Cb -0.07 -2.86 -0.00 0.00 -0.57 0.00 0.00 43.02 39.51 2nwt s PHE 14 CO 0.01 -0.49 0.14 0.15 -0.10 0.00 0.00 175.22 174.93 2nwt s LYS 15 N 2.32 3.27 1.03 0.44 1.02 -0.16 -4.86 119.74 122.80 2nwt s LYS 15 Ca 0.18 -0.76 -0.12 0.00 0.02 0.00 0.00 55.97 55.29 2nwt s LYS 15 Cb -0.16 -3.54 0.21 0.00 -0.52 0.00 0.00 37.83 33.82 2nwt s LYS 15 CO 0.13 -0.43 1.07 -1.25 -0.92 0.00 0.00 175.35 173.95 2nwt s PRO 16 N 1.59 0.17 -0.01 -1.68 0.04 -1.26 0.43 135.00 134.28 2nwt s PRO 16 Ca 0.04 0.76 0.08 0.00 0.04 0.00 0.00 61.00 61.92 2nwt s PRO 16 Cb -0.17 -1.69 -0.11 0.00 0.04 0.00 0.00 34.50 32.57 2nwt s PRO 16 CO 0.06 -2.97 0.21 1.28 0.04 0.00 0.00 177.00 175.61 2nwt n LEU 17 N -4.38 0.09 -4.98 -3.56 4.77 0.12 -4.75 117.00 104.32 2nwt n LEU 17 Ca 0.05 -0.13 -0.22 0.00 -0.03 0.00 0.00 56.01 55.69 2nwt n LEU 17 Cb 0.55 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.70 2nwt n LEU 17 CO 0.56 0.02 0.41 -1.10 -1.33 0.00 0.00 177.39 175.95 2nwt s GLN 18 N -2.32 2.36 0.10 3.23 -0.21 -1.25 -5.06 119.66 116.51 2nwt s GLN 18 Ca -0.01 -0.85 -0.30 0.00 0.02 0.00 0.00 55.36 54.22 2nwt s GLN 18 Cb 0.05 -2.45 -0.06 0.00 1.00 0.00 0.00 33.01 31.55 2nwt s GLN 18 CO 0.32 -0.87 1.11 0.21 -2.12 0.00 0.00 175.29 173.94 2nwt s LYS 19 N -4.85 4.53 -0.11 2.91 2.20 -1.26 -5.03 119.74 118.14 2nwt s LYS 19 Ca 0.59 1.68 -0.12 0.00 -0.36 0.00 0.00 55.97 57.76 2nwt s LYS 19 Cb -0.09 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 2nwt s LYS 19 CO 0.40 -0.08 0.28 0.08 -0.36 0.00 0.00 175.35 175.67 2nwt s VAL 20 N 0.51 5.28 -0.99 4.02 1.01 -1.26 -4.94 120.40 124.03 2nwt s VAL 20 Ca 0.53 0.54 0.17 0.00 0.00 0.00 0.00 61.98 63.22 2nwt s VAL 20 Cb -0.28 -3.59 0.62 0.00 0.00 0.00 0.00 36.38 33.13 2nwt s VAL 20 CO 0.31 0.50 1.53 -0.67 0.00 0.00 0.00 175.10 176.77 2nwt n ASP 21 N 2.66 4.28 -3.29 3.32 2.03 -1.26 -4.94 116.55 119.35 2nwt n ASP 21 Ca -0.15 -2.43 -0.09 0.00 0.52 0.00 0.00 54.79 52.65 2nwt n ASP 21 Cb 0.53 -0.51 0.03 0.00 -0.72 0.00 0.00 41.12 40.45 2nwt n ASP 21 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2nwt n LEU 22 N 0.80 0.00 -4.02 -2.67 4.77 -1.26 -5.15 117.00 109.47 2nwt n LEU 22 Ca 0.23 -1.10 -0.09 0.00 -0.03 0.00 0.00 56.01 55.02 2nwt n LEU 22 Cb 0.80 -0.20 -0.09 0.00 -2.33 0.00 0.00 43.42 41.60 2nwt n LEU 22 CO 0.19 -0.61 -0.19 -0.75 -1.33 0.00 0.00 177.39 174.71 2nwt s LYS 23 N -3.21 0.90 0.39 3.23 2.20 -1.26 -5.12 119.74 116.87 2nwt s LYS 23 Ca 0.27 -1.22 -0.27 0.00 -0.36 0.00 0.00 55.97 54.40 2nwt s LYS 23 Cb -0.02 0.29 -0.11 0.00 -1.51 0.00 0.00 37.83 36.48 2nwt s LYS 23 CO 0.17 -0.27 1.29 0.39 -0.36 0.00 0.00 175.35 176.57 2nwt n GLU 24 N -0.08 2.05 -3.13 4.03 4.71 -1.26 -2.76 120.64 124.21 2nwt n GLU 24 Ca -0.10 0.72 -0.07 0.00 -0.01 0.00 0.00 57.16 57.70 2nwt n GLU 24 Cb 0.63 -2.38 0.03 0.00 -1.01 0.00 0.00 31.44 28.71 2nwt n GLU 24 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2nwt n GLY 25 N 0.78 -1.19 3.29 0.62 0.00 -1.26 -5.05 105.19 102.38 2nwt n GLY 25 Ca 0.06 0.52 -0.33 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.64 3.22 -0.24 1.61 2.56 -1.11 -5.10 118.70 116.00 2nwt s GLU 26 Ca 0.21 -0.77 -0.24 0.00 0.00 0.00 0.00 54.97 54.18 2nwt s GLU 26 Cb -0.03 -2.52 -0.01 0.00 2.00 0.00 0.00 34.13 33.57 2nwt s GLU 26 CO 0.74 0.14 0.78 1.03 -0.56 0.00 0.00 175.26 177.39 2nwt s ARG 27 N 0.50 4.18 0.03 4.30 3.00 -1.26 -5.02 118.95 124.68 2nwt s ARG 27 Ca -0.12 0.86 0.02 0.00 0.00 0.00 0.00 55.73 56.49 2nwt s ARG 27 Cb -0.16 -3.64 -0.02 0.00 0.00 0.00 0.00 34.95 31.13 2nwt s ARG 27 CO 0.05 -0.48 -0.06 0.14 0.00 0.00 0.00 175.30 174.95 2nwt s VAL 28 N 2.70 0.41 -0.04 3.52 -7.23 -1.26 -5.15 120.40 113.36 2nwt s VAL 28 Ca 0.33 -0.93 0.07 0.00 -1.81 0.00 0.00 61.98 59.64 2nwt s VAL 28 Cb -0.15 -0.49 -0.01 0.00 0.56 0.00 0.00 36.38 36.28 2nwt s VAL 28 CO 0.08 -0.35 -0.25 -0.54 -0.31 0.00 0.00 175.10 173.73 2nwt s LYS 29 N -1.37 2.38 -0.12 4.82 1.02 -1.26 -5.12 119.74 120.09 2nwt s LYS 29 Ca -0.10 -0.91 -0.05 0.00 0.02 0.00 0.00 55.97 54.93 2nwt s LYS 29 Cb -0.09 -2.12 -0.04 0.00 -0.52 0.00 0.00 37.83 35.06 2nwt s LYS 29 CO 0.00 0.46 0.08 0.42 -0.92 0.00 0.00 175.35 175.39 2nwt s ILE 30 N -0.36 5.00 0.20 2.17 -1.09 -1.26 -5.08 121.20 120.78 2nwt s ILE 30 Ca 0.02 0.02 -0.18 0.00 -2.23 0.00 0.00 60.65 58.29 2nwt s ILE 30 Cb -0.12 -3.17 0.03 0.00 -1.58 0.00 0.00 42.46 37.61 2nwt s ILE 30 CO 0.02 0.58 0.54 -1.59 -1.23 0.00 0.00 174.94 173.26 2nwt s LYS 31 N -0.71 1.41 -0.21 2.79 -2.85 -1.26 -5.14 119.74 113.77 2nwt s LYS 31 Ca 0.12 -0.87 -0.12 0.00 -1.00 0.00 0.00 55.97 54.10 2nwt s LYS 31 Cb -0.12 0.53 -0.05 0.00 -2.06 0.00 0.00 37.83 36.13 2nwt s LYS 31 CO 0.03 -0.60 0.24 -0.51 0.10 0.00 0.00 175.35 174.60 2nwt s LEU 32 N -2.88 4.17 0.02 2.77 2.01 -1.26 -5.07 118.68 118.45 2nwt s LEU 32 Ca 0.10 0.31 -0.03 0.00 0.01 0.00 0.00 54.13 54.52 2nwt s LEU 32 Cb -0.01 -2.25 -0.02 0.00 0.01 0.00 0.00 46.19 43.92 2nwt s LEU 32 CO -0.02 0.06 0.03 -0.70 1.01 0.00 0.00 176.35 176.74 2nwt s GLU 33 N 0.85 0.43 0.17 1.70 2.12 -1.26 -5.16 118.70 117.55 2nwt s GLU 33 Ca 0.12 -0.64 0.07 0.00 0.36 0.00 0.00 54.97 54.88 2nwt s GLU 33 Cb -0.13 0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.38 2nwt s GLU 33 CO 0.04 -0.09 -0.14 -0.51 -0.54 0.00 0.00 175.26 174.01 2nwt s LEU 34 N -1.69 2.50 0.00 2.70 1.43 -1.26 -5.16 118.68 117.19 2nwt s LEU 34 Ca -0.12 -0.94 0.01 0.00 -1.03 0.00 0.00 54.13 52.05 2nwt s LEU 34 Cb -0.06 -0.63 -0.00 0.00 0.03 0.00 0.00 46.19 45.52 2nwt s LEU 34 CO -0.02 -0.16 0.03 0.29 0.23 0.00 0.00 176.35 176.73 2nwt n LYS 35 N -0.02 1.04 -1.16 1.70 5.02 -1.26 -5.11 118.16 118.37 2nwt n LYS 35 Ca -0.11 -1.17 0.00 0.00 -2.02 0.00 0.00 58.31 55.01 2nwt n LYS 35 Cb 0.59 0.54 0.00 0.00 -0.02 0.00 0.00 35.03 36.14 2nwt n LYS 35 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2nwt n VAL 36 N -0.34 -2.25 -3.99 -0.18 0.31 -1.26 -5.00 118.33 105.63 2nwt n VAL 36 Ca -0.03 1.11 -0.27 0.00 -0.01 0.00 0.00 64.34 65.14 2nwt n VAL 36 Cb 0.21 -1.83 -0.04 0.00 -0.91 0.00 0.00 33.84 31.27 2nwt n VAL 36 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2nwt s GLU 37 N -5.01 3.25 1.01 5.55 1.03 -1.26 -5.12 118.70 118.15 2nwt s GLU 37 Ca 0.00 -0.67 -0.15 0.00 0.03 0.00 0.00 54.97 54.19 2nwt s GLU 37 Cb 0.00 -2.87 0.19 0.00 -0.80 0.00 0.00 34.13 30.66 2nwt s GLU 37 CO 0.00 0.52 1.15 -1.25 -1.33 0.00 0.00 175.26 174.35 2nwt s PRO 38 N -3.08 0.33 0.56 -4.83 0.04 -1.26 -5.09 135.00 121.67 2nwt s PRO 38 Ca 0.33 0.12 0.09 0.00 0.04 0.00 0.00 61.00 61.58 2nwt s PRO 38 Cb -0.11 -1.76 0.07 0.00 0.04 0.00 0.00 34.50 32.74 2nwt s PRO 38 CO 0.27 -2.71 0.68 0.96 0.04 0.00 0.00 177.00 176.23 2nwt s ILE 39 N -3.26 2.07 0.22 0.56 -4.36 -1.26 -5.09 121.20 110.09 2nwt s ILE 39 Ca 0.67 -1.13 -0.30 0.00 -0.26 0.00 0.00 60.65 59.64 2nwt s ILE 39 Cb -0.12 -2.19 -0.09 0.00 1.25 0.00 0.00 42.46 41.31 2nwt s ILE 39 CO 0.55 0.00 1.13 -0.62 0.24 0.00 0.00 174.94 176.23 2nwt s ASP 40 N -4.55 7.21 0.27 4.36 2.15 -1.26 -5.05 116.67 119.80 2nwt s ASP 40 Ca 0.54 2.21 0.00 0.00 0.43 0.00 0.00 52.55 55.73 2nwt s ASP 40 Cb -0.05 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 2nwt s ASP 40 CO 0.34 -0.23 0.00 0.00 -0.17 0.00 0.00 175.17 175.11 2nwt n LEU 41 N 1.91 0.00 -4.22 -1.34 -0.00 -1.26 -5.10 117.00 106.99 2nwt n LEU 41 Ca 0.02 0.00 -0.27 0.00 -0.00 0.00 0.00 56.01 55.76 2nwt n LEU 41 Cb 0.45 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.72 2nwt n LEU 41 CO 0.54 -0.25 -0.52 -0.83 -0.00 0.00 0.00 177.39 176.33 2nwt s GLY 42 N -1.77 1.02 0.33 1.47 0.00 -1.26 -5.12 107.32 101.98 2nwt s GLY 42 Ca 0.00 -0.91 -0.29 0.00 0.00 0.00 0.00 44.72 43.52 2nwt s GLY 42 CO 0.00 -0.78 1.30 -1.83 0.00 0.00 0.00 173.10 171.80 2nwt s GLU 43 N -0.62 4.36 0.66 2.90 -1.05 -1.26 -5.04 118.70 118.64 2nwt s GLU 43 Ca 0.08 2.21 -0.07 0.00 -0.15 0.00 0.00 54.97 57.03 2nwt s GLU 43 Cb -0.08 -3.08 0.03 0.00 -0.44 0.00 0.00 34.13 30.57 2nwt s GLU 43 CO -0.00 -0.18 0.98 -1.25 0.95 0.00 0.00 175.26 175.75 2nwt s PRO 44 N -1.75 2.61 0.54 -4.83 0.05 -1.26 -5.06 135.00 125.30 2nwt s PRO 44 Ca 0.49 -0.04 -0.19 0.00 0.05 0.00 0.00 61.00 61.31 2nwt s PRO 44 Cb -0.40 -2.19 -0.06 0.00 0.05 0.00 0.00 34.50 31.90 2nwt s PRO 44 CO 0.52 -0.98 1.10 0.08 0.05 0.00 0.00 177.00 177.78 2nwt s VAL 45 N -3.15 3.38 0.00 -0.36 1.01 -1.26 -5.05 120.40 114.97 2nwt s VAL 45 Ca 0.57 0.83 0.00 0.00 0.00 0.00 0.00 61.98 63.38 2nwt s VAL 45 Cb -0.11 -3.32 0.00 0.00 0.00 0.00 0.00 36.38 32.95 2nwt s VAL 45 CO 0.46 -0.22 0.00 -1.20 0.00 0.00 0.00 175.10 174.14 2nwt n SER 46 N -1.34 0.00 -4.77 3.32 7.64 -1.26 -5.06 113.62 112.15 2nwt n SER 46 Ca 0.11 -0.88 -0.39 0.00 1.01 0.00 0.00 58.87 58.72 2nwt n SER 46 Cb 0.52 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.70 2nwt n SER 46 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2nwt s VAL 47 N 0.71 2.91 0.08 0.44 0.11 -1.26 -4.95 120.40 118.45 2nwt s VAL 47 Ca 0.00 0.82 -0.31 0.00 -2.93 0.00 0.00 61.98 59.56 2nwt s VAL 47 Cb 0.00 -3.48 -0.08 0.00 -1.53 0.00 0.00 36.38 31.29 2nwt s VAL 47 CO 0.00 0.12 1.57 -0.70 -3.33 0.00 0.00 175.10 172.76 2nwt s GLU 48 N -2.14 4.23 0.14 1.54 2.12 -1.26 -4.89 118.70 118.43 2nwt s GLU 48 Ca 0.55 2.26 0.18 0.00 0.36 0.00 0.00 54.97 58.32 2nwt s GLU 48 Cb -0.35 -3.47 -0.06 0.00 0.26 0.00 0.00 34.13 30.51 2nwt s GLU 48 CO 0.45 -0.66 0.99 1.05 -0.54 0.00 0.00 175.26 176.55 2nwt h GLU 49 N 7.79 0.00 0.00 4.30 4.11 -2.06 -3.38 114.58 125.33 2nwt h GLU 49 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 2nwt h GLU 49 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2nwt h GLU 49 CO 0.92 0.24 0.00 -0.89 0.07 0.00 0.00 179.01 179.35 2nwt n ILE 50 N -2.90 1.18 -3.07 -1.06 5.41 -1.26 -4.62 119.36 113.04 2nwt n ILE 50 Ca -0.05 0.44 -0.39 0.00 1.00 0.00 0.00 62.75 63.74 2nwt n ILE 50 Cb 0.75 -1.37 -0.05 0.00 -0.71 0.00 0.00 39.64 38.26 2nwt n ILE 50 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2nwt s LYS 51 N -3.25 4.42 -0.06 0.38 2.36 -1.26 -5.05 119.74 117.28 2nwt s LYS 51 Ca 0.02 0.92 -0.13 0.00 -2.55 0.00 0.00 55.97 54.23 2nwt s LYS 51 Cb 0.06 -3.37 -0.05 0.00 -1.05 0.00 0.00 37.83 33.42 2nwt s LYS 51 CO 0.22 0.27 0.32 0.15 1.55 0.00 0.00 175.35 177.87 2nwt s LYS 52 N 0.05 3.87 0.06 4.03 3.01 -1.26 -5.07 119.74 124.43 2nwt s LYS 52 Ca 0.36 0.22 -0.29 0.00 -1.01 0.00 0.00 55.97 55.25 2nwt s LYS 52 Cb -0.19 -3.26 -0.05 0.00 -1.01 0.00 0.00 37.83 33.33 2nwt s LYS 52 CO 0.20 0.62 0.93 -1.50 0.51 0.00 0.00 175.35 176.11 2nwt s ILE 53 N -0.74 4.67 -0.03 2.17 2.07 -1.26 -5.02 121.20 123.06 2nwt s ILE 53 Ca 0.20 1.98 -0.22 0.00 -1.41 0.00 0.00 60.65 61.20 2nwt s ILE 53 Cb -0.15 -4.28 -0.04 0.00 0.13 0.00 0.00 42.46 38.11 2nwt s ILE 53 CO 0.09 0.27 0.66 -0.60 -1.91 0.00 0.00 174.94 173.46 2nwt s ARG 54 N 0.35 4.41 0.50 3.50 3.52 -1.26 -5.06 118.95 124.90 2nwt s ARG 54 Ca 0.47 0.84 0.03 0.00 -0.13 0.00 0.00 55.73 56.94 2nwt s ARG 54 Cb -0.22 -3.40 0.03 0.00 -1.56 0.00 0.00 34.95 29.80 2nwt s ARG 54 CO 0.28 0.20 0.25 -0.25 -0.81 0.00 0.00 175.30 174.96 2nwt n ASP 55 N 3.29 2.89 -4.81 -2.12 8.00 -1.26 -5.12 116.55 117.42 2nwt n ASP 55 Ca -0.04 -2.89 -0.36 0.00 0.71 0.00 0.00 54.79 52.21 2nwt n ASP 55 Cb 0.51 0.09 -0.06 0.00 -0.02 0.00 0.00 41.12 41.64 2nwt n ASP 55 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2nwt s GLY 56 N -3.92 2.62 -0.78 0.44 0.00 -1.26 -5.00 107.32 99.42 2nwt s GLY 56 Ca 0.19 0.14 -0.25 0.00 0.00 0.00 0.00 44.72 44.80 2nwt s GLY 56 CO 0.12 0.50 1.25 -0.51 0.00 0.00 0.00 173.10 174.46 2nwt s THR 57 N -1.47 3.90 -0.05 0.90 -4.23 -1.26 -4.99 115.64 108.43 2nwt s THR 57 Ca 0.41 -0.01 -0.03 0.00 -1.18 0.00 0.00 61.69 60.89 2nwt s THR 57 Cb -0.17 -4.90 -0.04 0.00 1.34 0.00 0.00 72.50 68.73 2nwt s THR 57 CO 0.21 -1.79 0.09 0.86 -0.54 0.00 0.00 174.62 173.45 2nwt s TRP 58 N 5.20 3.37 -0.12 3.99 -0.00 -1.26 -5.10 118.94 125.02 2nwt s TRP 58 Ca 0.35 0.30 -0.05 0.00 -0.00 0.00 0.00 56.10 56.71 2nwt s TRP 58 Cb -0.08 -1.81 -0.04 0.00 -0.00 0.00 0.00 33.47 31.54 2nwt s TRP 58 CO 0.09 0.59 0.05 0.00 -0.00 0.00 0.00 176.95 177.68 2nwt s MET 59 N -1.40 3.39 -0.78 5.86 0.23 -1.26 -5.04 119.30 120.30 2nwt s MET 59 Ca 0.19 -0.33 -0.26 0.00 -1.03 0.00 0.00 55.69 54.26 2nwt s MET 59 Cb -0.12 -3.00 0.01 0.00 -1.53 0.00 0.00 34.83 30.19 2nwt s MET 59 CO 0.09 0.58 1.57 -1.12 -2.03 0.00 0.00 175.02 174.11 2nwt s SER 60 N -0.52 5.84 -0.00 -1.18 0.01 -1.26 -4.79 113.70 111.79 2nwt s SER 60 Ca 0.10 -0.45 0.04 0.00 1.31 0.00 0.00 55.95 56.95 2nwt s SER 60 Cb -0.12 -2.55 0.12 0.00 0.21 0.00 0.00 66.02 63.68 2nwt s SER 60 CO 0.02 -2.05 1.08 -1.20 0.41 0.00 0.00 173.24 171.50 2nwt n SER 61 N 10.86 0.77 -4.55 2.44 7.64 -1.26 -4.75 113.62 124.77 2nwt n SER 61 Ca 0.19 -2.01 -0.41 0.00 1.01 0.00 0.00 58.87 57.65 2nwt n SER 61 Cb 0.50 -0.11 -0.03 0.00 -1.01 0.00 0.00 64.21 63.56 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 -0.98 3.23 -0.27 -3.43 1.98 -1.26 -4.96 118.68 112.99 2nwt s LEU 62 Ca 0.09 -0.56 -0.01 0.00 -2.89 0.00 0.00 54.13 50.76 2nwt s LEU 62 Cb 0.05 -2.56 0.04 0.00 0.66 0.00 0.00 46.19 44.38 2nwt s LEU 62 CO 0.06 -1.84 -0.05 -0.70 -1.89 0.00 0.00 176.35 171.92 2nwt s GLU 63 N 5.73 2.59 0.04 1.98 2.12 -1.26 -5.11 118.70 124.80 2nwt s GLU 63 Ca 0.40 -1.14 0.03 0.00 0.36 0.00 0.00 54.97 54.61 2nwt s GLU 63 Cb -0.07 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.26 2nwt s GLU 63 CO 0.11 -0.50 0.03 -3.38 -0.54 0.00 0.00 175.26 170.97 2nwt s HIS 64 N 1.26 3.10 0.20 5.30 -3.43 -1.26 -5.12 115.29 115.33 2nwt s HIS 64 Ca -0.03 0.06 0.05 0.00 -0.80 0.00 0.00 55.06 54.34 2nwt s HIS 64 Cb -0.18 -1.63 -0.03 0.00 -1.43 0.00 0.00 32.58 29.31 2nwt s HIS 64 CO -0.04 0.49 0.25 -3.38 -2.00 0.00 0.00 174.74 170.06 2nwt s HIS 65 N -1.23 3.32 -0.51 0.38 -3.43 -1.26 -5.08 115.29 107.48 2nwt s HIS 65 Ca 0.24 0.00 0.03 0.00 -0.80 0.00 0.00 55.06 54.53 2nwt s HIS 65 Cb -0.12 -1.55 0.13 0.00 -1.43 0.00 0.00 32.58 29.61 2nwt s HIS 65 CO 0.16 0.50 0.25 -1.58 -2.00 0.00 0.00 174.74 172.07 2nwt s HIS 66 N -1.88 3.27 -0.20 0.38 5.04 -1.26 -5.07 115.29 115.56 2nwt s HIS 66 Ca 0.33 -3.11 0.02 0.00 -1.54 0.00 0.00 55.06 50.75 2nwt s HIS 66 Cb -0.10 -2.87 0.03 0.00 0.04 0.00 0.00 32.58 29.69 2nwt s HIS 66 CO 0.27 -0.77 -0.17 -1.58 -2.34 0.00 0.00 174.74 170.15 2nwt s HIS 67 N -0.14 2.90 0.14 3.88 5.04 -1.26 -4.98 115.29 120.86 2nwt s HIS 67 Ca 0.16 -1.84 0.00 0.00 -1.54 0.00 0.00 55.06 51.84 2nwt s HIS 67 Cb -0.25 -1.90 0.00 0.00 0.04 0.00 0.00 32.58 30.47 2nwt s HIS 67 CO -0.01 -0.82 0.00 1.58 -2.34 0.00 0.00 174.74 173.14 2nwt n HIS 68 N 4.57 -2.23 1.29 3.88 -0.00 -1.26 -5.35 115.22 116.12 2nwt n HIS 68 Ca -0.18 1.25 0.10 0.00 -0.00 0.00 0.00 57.72 58.88 2nwt n HIS 68 Cb 0.47 -2.62 0.61 0.00 -0.00 0.00 0.00 29.99 28.45 2nwt n HIS 68 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92