#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 2.97 0.46 2.12 0.02 -1.26 -5.00 135.00 134.31 2nwt s PRO 2 Ca 0.00 0.15 -0.10 0.00 0.02 0.00 0.00 61.00 61.07 2nwt s PRO 2 Cb 0.00 -4.26 -0.06 0.00 0.02 0.00 0.00 34.50 30.20 2nwt s PRO 2 CO 0.00 -2.37 0.84 -1.59 -0.33 0.00 0.00 177.00 173.54 2nwt s LYS 3 N 6.25 3.74 0.08 5.54 0.00 -1.26 -5.05 119.74 129.05 2nwt s LYS 3 Ca 0.49 0.52 -0.12 0.00 0.00 0.00 0.00 55.97 56.87 2nwt s LYS 3 Cb -0.10 -2.31 -0.06 0.00 0.00 0.00 0.00 37.83 35.36 2nwt s LYS 3 CO 0.18 -0.17 0.44 0.96 0.00 0.00 0.00 175.35 176.76 2nwt s ILE 4 N -2.57 5.02 0.10 3.79 -0.00 -1.26 -5.08 121.20 121.19 2nwt s ILE 4 Ca 0.52 0.62 -0.10 0.00 -0.00 0.00 0.00 60.65 61.69 2nwt s ILE 4 Cb -0.10 -3.68 -0.06 0.00 -0.00 0.00 0.00 42.46 38.61 2nwt s ILE 4 CO 0.36 0.33 0.43 -0.63 -0.00 0.00 0.00 174.94 175.44 2nwt s ILE 5 N -1.35 5.06 -0.42 8.37 1.01 -1.26 -5.06 121.20 127.55 2nwt s ILE 5 Ca 0.32 0.48 -0.15 0.00 0.00 0.00 0.00 60.65 61.31 2nwt s ILE 5 Cb -0.15 -3.66 0.02 0.00 0.01 0.00 0.00 42.46 38.69 2nwt s ILE 5 CO 0.17 0.25 0.33 -1.61 0.00 0.00 0.00 174.94 174.08 2nwt s GLU 6 N -1.99 2.99 0.22 2.79 8.01 -1.26 -4.97 118.70 124.49 2nwt s GLU 6 Ca 0.35 -1.00 0.10 0.00 0.01 0.00 0.00 54.97 54.42 2nwt s GLU 6 Cb -0.14 -3.99 -0.04 0.00 -4.31 0.00 0.00 34.13 25.65 2nwt s GLU 6 CO 0.19 -0.78 -0.11 0.00 0.01 0.00 0.00 175.26 174.57 2nwt s ALA 7 N 1.74 2.92 -0.13 5.21 0.00 -1.26 0.50 121.76 130.74 2nwt s ALA 7 Ca 0.06 -1.62 0.02 0.00 0.00 0.00 0.00 51.96 50.42 2nwt s ALA 7 Cb -0.19 -0.61 0.02 0.00 0.00 0.00 0.00 23.12 22.33 2nwt s ALA 7 CO 0.10 0.37 -0.17 0.08 0.00 0.00 0.00 175.76 176.14 2nwt s VAL 8 N -2.02 1.70 -0.59 0.00 1.01 0.13 -4.88 120.40 115.74 2nwt s VAL 8 Ca 0.27 -0.75 -0.28 0.00 0.00 0.00 0.00 61.98 61.22 2nwt s VAL 8 Cb -0.07 -1.55 0.03 0.00 0.00 0.00 0.00 36.38 34.79 2nwt s VAL 8 CO 0.16 0.48 1.19 -0.47 0.00 0.00 0.00 175.10 176.46 2nwt s TYR 9 N 1.08 2.59 -0.02 5.22 5.04 -1.25 -0.20 117.35 129.82 2nwt s TYR 9 Ca -0.03 0.35 0.05 0.00 -2.44 0.00 0.00 57.07 55.01 2nwt s TYR 9 Cb -0.14 -4.50 -0.01 0.00 0.35 0.00 0.00 41.96 37.65 2nwt s TYR 9 CO -0.05 -1.61 -0.17 -1.21 -1.34 0.00 0.00 175.55 171.17 2nwt s GLU 10 N 4.96 1.41 -1.62 4.97 2.02 0.72 -4.80 118.70 126.35 2nwt s GLU 10 Ca 0.42 -0.61 0.00 0.00 0.02 0.00 0.00 54.97 54.80 2nwt s GLU 10 Cb -0.08 -1.35 0.00 0.00 0.10 0.00 0.00 34.13 32.80 2nwt s GLU 10 CO 0.24 0.36 0.00 -1.71 0.02 0.00 0.00 175.26 174.17 2nwt n ASN 11 N 2.69 -4.84 0.00 -0.19 5.15 -1.26 -0.35 115.26 116.46 2nwt n ASN 11 Ca -0.15 0.37 0.00 0.00 -0.60 0.00 0.00 54.58 54.20 2nwt n ASN 11 Cb 0.54 -3.71 0.00 0.00 -0.53 0.00 0.00 39.78 36.08 2nwt n ASN 11 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2nwt n GLY 12 N -1.09 0.55 3.37 8.20 0.00 -1.26 -5.05 105.19 109.92 2nwt n GLY 12 Ca -0.15 -0.49 -0.25 0.00 0.00 0.00 0.00 46.02 45.13 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 2.08 -0.35 1.61 1.01 0.52 -5.11 120.40 118.16 2nwt s VAL 13 Ca 0.00 -1.93 -0.14 0.00 0.00 0.00 0.00 61.98 59.91 2nwt s VAL 13 Cb 0.00 -1.96 -0.01 0.00 0.00 0.00 0.00 36.38 34.41 2nwt s VAL 13 CO 0.00 -0.18 0.27 -0.36 0.00 0.00 0.00 175.10 174.83 2nwt s PHE 14 N -1.75 3.23 -0.29 5.22 0.08 -1.26 -0.20 117.98 123.00 2nwt s PHE 14 Ca 0.17 -0.22 0.00 0.00 0.12 0.00 0.00 56.93 57.00 2nwt s PHE 14 Cb -0.07 -2.53 0.06 0.00 -0.57 0.00 0.00 43.02 39.90 2nwt s PHE 14 CO 0.08 -0.41 -0.03 0.15 -0.10 0.00 0.00 175.22 174.91 2nwt s LYS 15 N 1.78 2.28 0.94 0.44 1.02 0.72 -4.90 119.74 122.02 2nwt s LYS 15 Ca 0.07 -1.36 -0.12 0.00 0.02 0.00 0.00 55.97 54.58 2nwt s LYS 15 Cb -0.17 -3.09 0.15 0.00 -0.52 0.00 0.00 37.83 34.20 2nwt s LYS 15 CO 0.11 -0.64 1.11 -1.25 -0.92 0.00 0.00 175.35 173.76 2nwt s PRO 16 N 1.17 0.94 0.10 -1.68 0.04 -1.26 0.17 135.00 134.47 2nwt s PRO 16 Ca -0.05 0.43 0.27 0.00 0.04 0.00 0.00 61.00 61.69 2nwt s PRO 16 Cb -0.20 -1.80 0.94 0.00 0.04 0.00 0.00 34.50 33.48 2nwt s PRO 16 CO -0.03 -2.37 1.78 1.28 0.04 0.00 0.00 177.00 177.71 2nwt n LEU 17 N -3.91 0.43 0.00 -3.56 4.77 0.18 -4.81 117.00 110.10 2nwt n LEU 17 Ca 0.06 0.48 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 2nwt n LEU 17 Cb 0.58 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2nwt n LEU 17 CO 0.57 -0.07 0.00 0.00 -1.33 0.00 0.00 177.39 176.56 2nwt n GLN 18 N -1.87 0.00 0.00 3.23 1.13 -1.26 -5.02 117.38 113.59 2nwt n GLN 18 Ca 0.06 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.12 2nwt n GLN 18 Cb 0.39 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.74 2nwt n GLN 18 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2nwt n LYS 19 N 12.49 0.00 -1.07 -1.09 5.02 -1.26 -4.81 118.16 127.43 2nwt n LYS 19 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2nwt n LYS 19 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 2nwt n LYS 19 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2nwt n VAL 20 N -0.24 -2.39 -2.11 -0.18 0.31 -1.26 -4.92 118.33 107.54 2nwt n VAL 20 Ca 0.00 1.13 0.04 0.00 -0.01 0.00 0.00 64.34 65.50 2nwt n VAL 20 Cb 0.00 -1.78 0.06 0.00 -0.91 0.00 0.00 33.84 31.21 2nwt n VAL 20 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 2nwt n ASP 21 N -1.98 0.98 -3.86 4.52 5.75 -1.26 -5.09 116.55 115.62 2nwt n ASP 21 Ca 0.00 -2.41 -0.28 0.00 -0.01 0.00 0.00 54.79 52.09 2nwt n ASP 21 Cb 0.26 -0.32 0.24 0.00 -1.03 0.00 0.00 41.12 40.27 2nwt n ASP 21 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2nwt n LEU 22 N -0.05 -1.36 -4.89 -2.12 4.77 -1.26 -5.01 117.00 107.08 2nwt n LEU 22 Ca 0.08 -0.46 -0.21 0.00 -0.03 0.00 0.00 56.01 55.38 2nwt n LEU 22 Cb 0.92 -1.03 -0.03 0.00 -2.33 0.00 0.00 43.42 40.95 2nwt n LEU 22 CO -0.03 -3.75 -0.07 -0.54 -1.33 0.00 0.00 177.39 171.67 2nwt s LYS 23 N -4.30 2.98 0.35 3.23 1.02 -1.26 -5.09 119.74 116.67 2nwt s LYS 23 Ca 0.61 -1.08 -0.18 0.00 0.02 0.00 0.00 55.97 55.35 2nwt s LYS 23 Cb -0.15 -2.64 -0.10 0.00 -0.52 0.00 0.00 37.83 34.42 2nwt s LYS 23 CO 0.57 0.24 0.81 -1.83 -0.92 0.00 0.00 175.35 174.23 2nwt s GLU 24 N -3.98 4.11 -0.91 1.68 1.03 -1.26 -3.59 118.70 115.77 2nwt s GLU 24 Ca 0.38 0.85 0.00 0.00 0.03 0.00 0.00 54.97 56.23 2nwt s GLU 24 Cb -0.08 -2.38 0.00 0.00 -0.80 0.00 0.00 34.13 30.88 2nwt s GLU 24 CO 0.27 0.11 0.00 0.41 -1.33 0.00 0.00 175.26 174.72 2nwt n GLY 25 N -0.38 1.01 3.91 -3.83 0.00 -1.26 -5.00 105.19 99.64 2nwt n GLY 25 Ca 0.04 -0.41 -0.28 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.52 3.60 -0.08 1.61 2.12 -1.24 -5.06 118.70 117.12 2nwt s GLU 26 Ca 0.00 -0.08 -0.12 0.00 0.36 0.00 0.00 54.97 55.13 2nwt s GLU 26 Cb 0.00 -2.67 -0.05 0.00 0.26 0.00 0.00 34.13 31.67 2nwt s GLU 26 CO 0.00 0.22 0.29 1.03 -0.54 0.00 0.00 175.26 176.26 2nwt s ARG 27 N -3.63 3.84 0.25 4.30 3.00 -1.26 -5.08 118.95 120.37 2nwt s ARG 27 Ca 0.43 0.15 -0.08 0.00 0.00 0.00 0.00 55.73 56.22 2nwt s ARG 27 Cb -0.11 -3.26 -0.01 0.00 0.00 0.00 0.00 34.95 31.57 2nwt s ARG 27 CO 0.31 0.61 0.38 0.14 0.00 0.00 0.00 175.30 176.74 2nwt s VAL 28 N -0.67 0.00 0.04 3.52 -7.23 -1.26 -5.17 120.40 109.63 2nwt s VAL 28 Ca 0.19 -1.60 0.06 0.00 -1.81 0.00 0.00 61.98 58.82 2nwt s VAL 28 Cb -0.14 -2.36 -0.02 0.00 0.56 0.00 0.00 36.38 34.42 2nwt s VAL 28 CO 0.08 0.00 -0.18 -0.54 -0.31 0.00 0.00 175.10 174.15 2nwt s LYS 29 N -3.90 1.20 -0.12 4.82 1.02 -1.26 -5.14 119.74 116.37 2nwt s LYS 29 Ca 0.28 -0.83 -0.00 0.00 0.02 0.00 0.00 55.97 55.44 2nwt s LYS 29 Cb 0.01 -1.26 -0.02 0.00 -0.52 0.00 0.00 37.83 36.04 2nwt s LYS 29 CO 0.12 0.32 -0.11 0.42 -0.92 0.00 0.00 175.35 175.18 2nwt s ILE 30 N -0.78 3.23 -0.14 2.17 -1.09 -1.26 -5.10 121.20 118.24 2nwt s ILE 30 Ca 0.05 -0.61 0.02 0.00 -2.23 0.00 0.00 60.65 57.88 2nwt s ILE 30 Cb -0.08 -2.36 0.01 0.00 -1.58 0.00 0.00 42.46 38.46 2nwt s ILE 30 CO 0.01 0.53 -0.20 -0.75 -1.23 0.00 0.00 174.94 173.31 2nwt s LYS 31 N 0.18 2.77 -0.21 2.79 2.47 -1.26 -5.08 119.74 121.39 2nwt s LYS 31 Ca -0.06 -0.76 -0.29 0.00 -1.56 0.00 0.00 55.97 53.29 2nwt s LYS 31 Cb -0.15 -2.29 -0.01 0.00 -1.46 0.00 0.00 37.83 33.92 2nwt s LYS 31 CO 0.04 -0.06 1.36 -0.51 0.16 0.00 0.00 175.35 176.34 2nwt s LEU 32 N 0.95 4.04 0.21 5.43 1.02 -1.26 -4.99 118.68 124.08 2nwt s LEU 32 Ca -0.05 1.55 0.09 0.00 0.02 0.00 0.00 54.13 55.74 2nwt s LEU 32 Cb -0.15 -3.54 -0.05 0.00 0.02 0.00 0.00 46.19 42.48 2nwt s LEU 32 CO -0.04 -0.96 -0.18 -1.61 0.02 0.00 0.00 176.35 173.58 2nwt s GLU 33 N 3.96 1.42 0.00 1.70 2.02 -1.26 -5.14 118.70 121.40 2nwt s GLU 33 Ca 0.59 -1.58 0.00 0.00 0.02 0.00 0.00 54.97 54.00 2nwt s GLU 33 Cb -0.21 -1.42 0.00 0.00 0.10 0.00 0.00 34.13 32.60 2nwt s GLU 33 CO 0.21 0.27 0.00 1.47 0.02 0.00 0.00 175.26 177.23 2nwt n LEU 34 N -0.20 0.00 -4.95 1.80 -0.00 -1.26 -5.17 117.00 107.22 2nwt n LEU 34 Ca -0.09 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.68 2nwt n LEU 34 Cb 0.59 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.98 2nwt n LEU 34 CO 0.34 0.00 -0.03 -0.75 -0.00 0.00 0.00 177.39 176.95 2nwt s LYS 35 N -0.21 3.46 0.89 1.47 2.47 -1.26 -5.10 119.74 121.45 2nwt s LYS 35 Ca 0.00 -0.61 -0.11 0.00 -1.56 0.00 0.00 55.97 53.69 2nwt s LYS 35 Cb 0.00 -2.89 0.12 0.00 -1.46 0.00 0.00 37.83 33.61 2nwt s LYS 35 CO 0.00 0.43 1.09 0.08 0.16 0.00 0.00 175.35 177.11 2nwt s VAL 36 N -1.91 2.70 -0.27 4.02 1.01 -1.26 -4.33 120.40 120.35 2nwt s VAL 36 Ca 0.35 0.23 -0.22 0.00 0.00 0.00 0.00 61.98 62.34 2nwt s VAL 36 Cb -0.10 -2.73 0.03 0.00 0.00 0.00 0.00 36.38 33.58 2nwt s VAL 36 CO 0.29 -0.30 0.38 -1.84 0.00 0.00 0.00 175.10 173.64 2nwt n GLU 37 N -3.84 -1.37 -1.00 2.72 0.28 -1.26 -4.94 120.64 111.23 2nwt n GLU 37 Ca 0.07 1.26 -0.29 0.00 -0.16 0.00 0.00 57.16 58.03 2nwt n GLU 37 Cb 0.55 -1.93 0.23 0.00 1.43 0.00 0.00 31.44 31.72 2nwt n GLU 37 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 2nwt s PRO 38 N -1.87 -0.83 0.49 3.44 0.04 -1.26 -5.00 135.00 130.02 2nwt s PRO 38 Ca 0.22 0.22 -0.20 0.00 0.04 0.00 0.00 61.00 61.28 2nwt s PRO 38 Cb -0.02 -1.62 -0.08 0.00 0.04 0.00 0.00 34.50 32.82 2nwt s PRO 38 CO 0.53 -3.51 1.06 0.42 0.04 0.00 0.00 177.00 175.54 2nwt s ILE 39 N -2.88 3.66 -0.52 0.56 1.01 -1.26 -5.00 121.20 116.76 2nwt s ILE 39 Ca 0.69 1.04 -0.16 0.00 0.00 0.00 0.00 60.65 62.22 2nwt s ILE 39 Cb -0.15 -3.43 0.11 0.00 0.01 0.00 0.00 42.46 39.00 2nwt s ILE 39 CO 0.58 -0.21 0.50 -0.62 0.00 0.00 0.00 174.94 175.18 2nwt s ASP 40 N -1.91 6.18 0.91 3.58 2.15 -1.26 -5.05 116.67 121.27 2nwt s ASP 40 Ca 0.68 -1.59 -0.10 0.00 0.43 0.00 0.00 52.55 51.97 2nwt s ASP 40 Cb -0.18 -2.21 0.16 0.00 -0.30 0.00 0.00 42.92 40.38 2nwt s ASP 40 CO 0.22 -0.83 0.97 -0.11 -0.17 0.00 0.00 175.17 175.25 2nwt n LEU 41 N 5.37 0.00 -3.75 -1.34 7.94 -1.26 -5.11 117.00 118.85 2nwt n LEU 41 Ca -0.13 -1.26 -0.11 0.00 -1.11 0.00 0.00 56.01 53.40 2nwt n LEU 41 Cb 0.41 -0.72 -0.07 0.00 0.53 0.00 0.00 43.42 43.58 2nwt n LEU 41 CO 0.53 -1.15 0.03 -0.83 -1.11 0.00 0.00 177.39 174.86 2nwt s GLY 42 N -5.06 -0.11 0.00 -3.96 0.00 -1.26 -5.12 107.32 91.80 2nwt s GLY 42 Ca 0.57 -0.10 -0.34 0.00 0.00 0.00 0.00 44.72 44.85 2nwt s GLY 42 CO 0.39 -0.32 1.74 1.18 0.00 0.00 0.00 173.10 176.10 2nwt n GLU 43 N 0.36 2.08 -1.66 2.90 4.71 -1.26 -4.89 120.64 122.88 2nwt n GLU 43 Ca -0.18 0.76 -0.47 0.00 -0.01 0.00 0.00 57.16 57.26 2nwt n GLU 43 Cb 0.61 -2.56 -0.05 0.00 -1.01 0.00 0.00 31.44 28.43 2nwt n GLU 43 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 2nwt n PRO 44 N 5.25 2.02 -2.31 3.49 -0.02 -1.26 -4.92 135.00 137.25 2nwt n PRO 44 Ca 0.21 0.73 -0.38 0.00 -2.02 0.00 0.00 63.50 62.03 2nwt n PRO 44 Cb 0.28 -2.50 -0.02 0.00 -0.02 0.00 0.00 33.50 31.24 2nwt n PRO 44 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2nwt s VAL 45 N 1.41 3.19 0.30 -1.45 0.11 -1.26 -5.04 120.40 117.66 2nwt s VAL 45 Ca 0.82 1.01 0.09 0.00 -2.93 0.00 0.00 61.98 60.97 2nwt s VAL 45 Cb -0.72 -3.57 -0.05 0.00 -1.53 0.00 0.00 36.38 30.52 2nwt s VAL 45 CO 0.42 0.10 -0.00 -0.44 -3.33 0.00 0.00 175.10 171.84 2nwt s SER 46 N -1.13 4.35 -0.19 3.54 0.01 -1.26 -5.13 113.70 113.89 2nwt s SER 46 Ca 0.56 -0.81 -0.00 0.00 1.31 0.00 0.00 55.95 57.01 2nwt s SER 46 Cb -0.30 -0.68 0.01 0.00 0.21 0.00 0.00 66.02 65.26 2nwt s SER 46 CO 0.38 -0.11 -0.16 0.54 0.41 0.00 0.00 173.24 174.31 2nwt s VAL 47 N -2.42 2.42 -0.62 3.43 0.11 -1.26 -4.96 120.40 117.10 2nwt s VAL 47 Ca 0.33 -0.82 0.23 0.00 -2.93 0.00 0.00 61.98 58.79 2nwt s VAL 47 Cb -0.04 -2.04 -0.12 0.00 -1.53 0.00 0.00 36.38 32.65 2nwt s VAL 47 CO 0.20 0.51 1.02 -1.84 -3.33 0.00 0.00 175.10 171.66 2nwt n GLU 48 N 4.62 0.28 0.27 1.54 0.28 -1.26 -4.28 120.64 122.10 2nwt n GLU 48 Ca -0.20 -0.01 0.11 0.00 -0.16 0.00 0.00 57.16 56.91 2nwt n GLU 48 Cb 0.50 -1.59 0.76 0.00 1.43 0.00 0.00 31.44 32.55 2nwt n GLU 48 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2nwt h GLU 49 N 0.00 0.00 0.00 3.44 5.08 -2.05 -2.28 114.58 118.77 2nwt h GLU 49 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2nwt h GLU 49 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2nwt h GLU 49 CO 0.00 0.04 -0.97 1.51 -1.00 0.00 0.00 179.01 178.58 2nwt n ILE 50 N -4.09 0.21 -3.84 3.13 3.06 -1.26 -4.88 119.36 111.68 2nwt n ILE 50 Ca -0.03 -0.26 -0.16 0.00 -2.50 0.00 0.00 62.75 59.81 2nwt n ILE 50 Cb 0.12 0.14 -0.16 0.00 0.54 0.00 0.00 39.64 40.28 2nwt n ILE 50 CO 0.00 0.00 0.00 -0.75 -2.50 0.00 0.00 176.55 173.30 2nwt s LYS 51 N -3.20 0.10 -0.16 9.51 2.20 -0.86 -5.14 119.74 122.19 2nwt s LYS 51 Ca 0.04 0.13 -0.14 0.00 -0.36 0.00 0.00 55.97 55.63 2nwt s LYS 51 Cb 0.14 -0.32 0.04 0.00 -1.51 0.00 0.00 37.83 36.18 2nwt s LYS 51 CO 0.79 -0.14 0.43 0.21 -0.36 0.00 0.00 175.35 176.28 2nwt s LYS 52 N 0.96 0.49 -0.34 4.03 2.20 -1.26 -4.75 119.74 121.08 2nwt s LYS 52 Ca -0.09 0.61 -0.19 0.00 -0.36 0.00 0.00 55.97 55.94 2nwt s LYS 52 Cb -0.12 0.23 -0.00 0.00 -1.51 0.00 0.00 37.83 36.42 2nwt s LYS 52 CO -0.02 -0.07 0.57 0.42 -0.36 0.00 0.00 175.35 175.89 2nwt s ILE 53 N 0.31 4.97 -0.45 5.43 1.09 -1.26 -5.02 121.20 126.26 2nwt s ILE 53 Ca -0.01 0.52 -0.12 0.00 -1.10 0.00 0.00 60.65 59.94 2nwt s ILE 53 Cb -0.03 -4.00 0.08 0.00 -1.06 0.00 0.00 42.46 37.45 2nwt s ILE 53 CO -0.00 -0.22 0.33 -0.13 -0.10 0.00 0.00 174.94 174.82 2nwt s ARG 54 N 2.52 2.77 0.44 2.79 0.52 -1.26 -5.07 118.95 121.66 2nwt s ARG 54 Ca 0.22 -1.45 -0.22 0.00 -0.52 0.00 0.00 55.73 53.76 2nwt s ARG 54 Cb -0.15 -3.96 -0.09 0.00 0.52 0.00 0.00 34.95 31.26 2nwt s ARG 54 CO 0.13 -1.02 1.01 0.34 0.02 0.00 0.00 175.30 175.78 2nwt s ASP 55 N 2.44 6.68 -0.29 0.23 2.15 -1.26 -5.04 116.67 121.58 2nwt s ASP 55 Ca 0.04 1.88 0.02 0.00 0.43 0.00 0.00 52.55 54.91 2nwt s ASP 55 Cb -0.24 -2.56 0.08 0.00 -0.30 0.00 0.00 42.92 39.90 2nwt s ASP 55 CO 0.04 -0.55 0.00 -0.83 -0.17 0.00 0.00 175.17 173.66 2nwt s GLY 56 N -1.91 1.50 -0.06 2.66 0.00 -1.26 -5.10 107.32 103.15 2nwt s GLY 56 Ca 0.62 -1.85 -0.28 0.00 0.00 0.00 0.00 44.72 43.21 2nwt s GLY 56 CO 0.20 1.02 0.91 -0.51 0.00 0.00 0.00 173.10 174.73 2nwt s THR 57 N 1.24 4.88 -0.06 0.90 -4.23 -1.26 -5.05 115.64 112.07 2nwt s THR 57 Ca 0.02 1.88 -0.06 0.00 -1.18 0.00 0.00 61.69 62.36 2nwt s THR 57 Cb -0.19 -4.24 0.02 0.00 1.34 0.00 0.00 72.50 69.43 2nwt s THR 57 CO -0.10 0.12 0.17 0.86 -0.54 0.00 0.00 174.62 175.12 2nwt s TRP 58 N 1.39 -0.18 -0.15 3.99 -0.11 -1.26 -5.16 118.94 117.45 2nwt s TRP 58 Ca 0.46 0.44 -0.28 0.00 1.22 0.00 0.00 56.10 57.95 2nwt s TRP 58 Cb -0.19 0.06 0.07 0.00 -1.50 0.00 0.00 33.47 31.91 2nwt s TRP 58 CO 0.21 -0.09 0.69 1.41 -4.62 0.00 0.00 176.95 174.55 2nwt s MET 59 N 0.07 0.94 0.23 5.86 1.75 -1.26 -5.17 119.30 121.71 2nwt s MET 59 Ca -0.00 0.60 0.05 0.00 -1.25 0.00 0.00 55.69 55.09 2nwt s MET 59 Cb -0.01 0.45 -0.03 0.00 2.84 0.00 0.00 34.83 38.07 2nwt s MET 59 CO 0.00 -0.21 0.32 -1.12 -0.65 0.00 0.00 175.02 173.36 2nwt s SER 60 N -0.43 6.18 0.00 1.11 0.01 -1.26 -5.00 113.70 114.31 2nwt s SER 60 Ca -0.06 0.03 0.28 0.00 1.31 0.00 0.00 55.95 57.51 2nwt s SER 60 Cb -0.02 -1.79 1.64 0.00 0.21 0.00 0.00 66.02 66.06 2nwt s SER 60 CO 0.05 -0.05 2.00 -1.20 0.41 0.00 0.00 173.24 174.46 2nwt n SER 61 N -1.25 0.00 -0.35 2.44 7.64 -1.26 -5.00 113.62 115.84 2nwt n SER 61 Ca -0.09 -0.83 0.00 0.00 1.01 0.00 0.00 58.87 58.97 2nwt n SER 61 Cb 0.57 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 2nwt n SER 61 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2nwt n LEU 62 N -1.02 0.00 -3.53 -3.43 7.94 -1.26 -4.85 117.00 110.86 2nwt n LEU 62 Ca 0.20 0.00 -0.10 0.00 -1.11 0.00 0.00 56.01 55.01 2nwt n LEU 62 Cb 0.10 0.00 -0.09 0.00 0.53 0.00 0.00 43.42 43.96 2nwt n LEU 62 CO 0.16 -0.80 -0.03 -0.70 -1.11 0.00 0.00 177.39 174.90 2nwt s GLU 63 N 0.00 0.31 -0.54 1.96 -6.30 -1.26 -5.11 118.70 107.76 2nwt s GLU 63 Ca 0.00 0.77 -0.17 0.00 -2.50 0.00 0.00 54.97 53.07 2nwt s GLU 63 Cb 0.00 -0.08 0.09 0.00 0.00 0.00 0.00 34.13 34.14 2nwt s GLU 63 CO 0.00 -0.42 0.57 -3.38 0.02 0.00 0.00 175.26 172.05 2nwt s HIS 64 N 2.55 3.12 0.17 5.30 0.00 -1.26 -5.04 115.29 120.14 2nwt s HIS 64 Ca 0.05 -0.94 -0.30 0.00 -3.00 0.00 0.00 55.06 50.86 2nwt s HIS 64 Cb -0.13 -3.68 -0.08 0.00 -4.00 0.00 0.00 32.58 24.69 2nwt s HIS 64 CO -0.13 -1.07 1.09 -1.58 -1.00 0.00 0.00 174.74 172.05 2nwt s HIS 65 N 2.19 3.61 0.33 0.38 2.46 -1.26 -5.01 115.29 117.97 2nwt s HIS 65 Ca 0.09 1.61 0.00 0.00 0.47 0.00 0.00 55.06 57.23 2nwt s HIS 65 Cb -0.25 -3.26 -0.00 0.00 -0.13 0.00 0.00 32.58 28.94 2nwt s HIS 65 CO 0.07 -0.56 0.41 -2.39 -2.47 0.00 0.00 174.74 169.80 2nwt n HIS 66 N 2.38 -1.24 -4.22 3.88 1.44 -1.26 -5.18 115.22 111.03 2nwt n HIS 66 Ca 0.03 -2.32 -0.13 0.00 -2.01 0.00 0.00 57.72 53.29 2nwt n HIS 66 Cb 0.46 0.46 -0.10 0.00 0.12 0.00 0.00 29.99 30.93 2nwt n HIS 66 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2nwt s HIS 67 N -3.09 1.12 -0.36 -1.40 -3.43 -1.26 -5.13 115.29 101.75 2nwt s HIS 67 Ca 0.30 -1.04 0.02 0.00 -0.80 0.00 0.00 55.06 53.54 2nwt s HIS 67 Cb -0.00 -0.64 0.11 0.00 -1.43 0.00 0.00 32.58 30.61 2nwt s HIS 67 CO 0.21 -0.25 0.12 -3.38 -2.00 0.00 0.00 174.74 169.44 2nwt s HIS 68 N -3.71 2.67 0.00 0.38 -3.43 -1.26 -5.33 115.29 104.60 2nwt s HIS 68 Ca 0.23 -2.46 0.00 0.00 -0.80 0.00 0.00 55.06 52.02 2nwt s HIS 68 Cb 0.06 -2.31 0.00 0.00 -1.43 0.00 0.00 32.58 28.91 2nwt s HIS 68 CO 0.03 -0.88 0.00 1.58 -2.00 0.00 0.00 174.74 173.47