#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 4.43 0.28 3.17 0.02 -1.26 -5.08 135.00 136.56 2nwt s PRO 2 Ca 0.00 1.27 0.10 0.00 0.02 0.00 0.00 61.00 62.39 2nwt s PRO 2 Cb 0.00 -2.57 -0.05 0.00 0.02 0.00 0.00 34.50 31.91 2nwt s PRO 2 CO 0.00 0.14 -0.05 0.15 -0.33 0.00 0.00 177.00 176.91 2nwt s LYS 3 N -2.47 2.11 -0.26 5.54 1.02 -1.26 -5.11 119.74 119.31 2nwt s LYS 3 Ca 0.55 -1.54 -0.10 0.00 0.02 0.00 0.00 55.97 54.90 2nwt s LYS 3 Cb -0.16 -2.04 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 2nwt s LYS 3 CO 0.20 0.33 0.15 0.96 -0.92 0.00 0.00 175.35 176.07 2nwt s ILE 4 N -2.39 4.99 0.19 2.17 -0.00 -1.26 -5.09 121.20 119.81 2nwt s ILE 4 Ca 0.31 0.06 0.07 0.00 -0.00 0.00 0.00 60.65 61.09 2nwt s ILE 4 Cb -0.05 -3.36 -0.04 0.00 -0.00 0.00 0.00 42.46 39.01 2nwt s ILE 4 CO 0.19 0.29 0.04 0.27 -0.00 0.00 0.00 174.94 175.73 2nwt s ILE 5 N 1.61 3.89 -0.08 8.37 -4.36 -1.26 -5.10 121.20 124.27 2nwt s ILE 5 Ca 0.07 -1.42 -0.03 0.00 -0.26 0.00 0.00 60.65 59.00 2nwt s ILE 5 Cb -0.15 -2.99 -0.04 0.00 1.25 0.00 0.00 42.46 40.53 2nwt s ILE 5 CO 0.08 -0.17 0.07 -1.61 0.24 0.00 0.00 174.94 173.56 2nwt s GLU 6 N -3.15 3.18 0.08 0.37 2.02 -1.26 -5.05 118.70 114.89 2nwt s GLU 6 Ca 0.29 -0.32 -0.01 0.00 0.02 0.00 0.00 54.97 54.95 2nwt s GLU 6 Cb -0.09 -2.96 -0.04 0.00 0.10 0.00 0.00 34.13 31.14 2nwt s GLU 6 CO 0.20 0.72 0.00 0.00 0.02 0.00 0.00 175.26 176.20 2nwt s ALA 7 N -1.02 0.61 -0.03 5.21 0.00 -1.26 -1.90 121.76 123.38 2nwt s ALA 7 Ca 0.16 -1.29 0.03 0.00 0.00 0.00 0.00 51.96 50.87 2nwt s ALA 7 Cb -0.12 0.47 -0.00 0.00 0.00 0.00 0.00 23.12 23.47 2nwt s ALA 7 CO 0.06 -0.41 -0.12 0.08 0.00 0.00 0.00 175.76 175.36 2nwt s VAL 8 N -3.96 1.03 -0.62 0.00 1.01 0.13 -4.89 120.40 113.10 2nwt s VAL 8 Ca 0.12 -0.51 -0.27 0.00 0.00 0.00 0.00 61.98 61.32 2nwt s VAL 8 Cb 0.08 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.60 2nwt s VAL 8 CO -0.06 0.30 1.16 -0.47 0.00 0.00 0.00 175.10 176.03 2nwt s TYR 9 N 0.01 2.55 -0.14 5.22 5.04 -1.25 -0.10 117.35 128.68 2nwt s TYR 9 Ca -0.01 0.15 0.01 0.00 -2.44 0.00 0.00 57.07 54.78 2nwt s TYR 9 Cb -0.08 -4.45 0.02 0.00 0.35 0.00 0.00 41.96 37.79 2nwt s TYR 9 CO 0.01 -1.69 -0.18 -2.00 -1.34 0.00 0.00 175.55 170.35 2nwt s GLU 10 N 4.93 2.61 -1.45 4.97 -6.30 0.24 -4.71 118.70 118.99 2nwt s GLU 10 Ca 0.37 -0.69 -0.08 0.00 -2.50 0.00 0.00 54.97 52.07 2nwt s GLU 10 Cb -0.09 -2.23 0.04 0.00 0.00 0.00 0.00 34.13 31.84 2nwt s GLU 10 CO 0.20 -0.13 0.68 0.09 0.02 0.00 0.00 175.26 176.12 2nwt n ASN 11 N 4.42 -5.25 0.00 -1.70 3.02 -1.26 -1.95 115.26 112.54 2nwt n ASN 11 Ca -0.19 -0.41 0.00 0.00 -0.03 0.00 0.00 54.58 53.95 2nwt n ASN 11 Cb 0.51 -4.24 0.00 0.00 -0.61 0.00 0.00 39.78 35.44 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 -1.49 0.59 3.09 7.41 0.00 -1.26 -5.05 105.19 108.48 2nwt n GLY 12 Ca -0.05 -0.54 -0.15 0.00 0.00 0.00 0.00 46.02 45.28 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 0.70 -0.34 1.61 1.01 -0.82 -5.11 120.40 115.44 2nwt s VAL 13 Ca 0.00 -1.09 -0.18 0.00 0.00 0.00 0.00 61.98 60.71 2nwt s VAL 13 Cb 0.00 -0.73 -0.00 0.00 0.00 0.00 0.00 36.38 35.65 2nwt s VAL 13 CO 0.00 -0.30 0.54 -0.36 0.00 0.00 0.00 175.10 174.97 2nwt s PHE 14 N -1.27 3.18 -0.31 5.22 0.08 -1.26 0.81 117.98 124.44 2nwt s PHE 14 Ca -0.07 0.25 -0.06 0.00 0.12 0.00 0.00 56.93 57.17 2nwt s PHE 14 Cb -0.09 -2.94 0.02 0.00 -0.57 0.00 0.00 43.02 39.44 2nwt s PHE 14 CO 0.01 -0.53 0.08 0.15 -0.10 0.00 0.00 175.22 174.83 2nwt s LYS 15 N 2.44 2.88 1.14 0.44 1.02 0.85 -4.89 119.74 123.62 2nwt s LYS 15 Ca 0.20 -1.00 -0.13 0.00 0.02 0.00 0.00 55.97 55.06 2nwt s LYS 15 Cb -0.15 -3.39 0.27 0.00 -0.52 0.00 0.00 37.83 34.04 2nwt s LYS 15 CO 0.13 -0.53 1.04 -1.25 -0.92 0.00 0.00 175.35 173.82 2nwt s PRO 16 N 1.45 -0.72 0.00 -1.68 0.04 -1.26 0.21 135.00 133.04 2nwt s PRO 16 Ca 0.01 0.87 0.00 0.00 0.04 0.00 0.00 61.00 61.92 2nwt s PRO 16 Cb -0.18 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.78 2nwt s PRO 16 CO 0.02 -3.60 0.00 1.28 0.04 0.00 0.00 177.00 174.74 2nwt n LEU 17 N -4.83 0.55 0.00 -3.56 4.77 -0.80 -4.76 117.00 108.37 2nwt n LEU 17 Ca 0.04 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2nwt n LEU 17 Cb 0.54 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 2nwt n LEU 17 CO 0.57 -0.41 0.16 0.00 -1.33 0.00 0.00 177.39 176.38 2nwt n GLN 18 N -1.73 0.00 -3.24 3.23 -0.00 -1.26 -5.12 117.38 109.25 2nwt n GLN 18 Ca 0.00 -0.32 -0.29 0.00 -0.00 0.00 0.00 57.00 56.39 2nwt n GLN 18 Cb 0.00 -0.45 -0.03 0.00 -0.00 0.00 0.00 30.24 29.76 2nwt n GLN 18 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.06 177.21 2nwt s LYS 19 N 0.00 3.65 0.56 2.61 -0.14 -1.26 -4.91 119.74 120.24 2nwt s LYS 19 Ca 0.00 0.07 0.00 0.00 -1.36 0.00 0.00 55.97 54.68 2nwt s LYS 19 Cb 0.00 -2.60 0.00 0.00 -1.68 0.00 0.00 37.83 33.55 2nwt s LYS 19 CO 0.00 0.16 0.00 0.28 -0.76 0.00 0.00 175.35 175.03 2nwt n VAL 20 N -1.06 -4.72 -1.63 3.17 0.31 -1.26 -4.92 118.33 108.23 2nwt n VAL 20 Ca -0.01 2.18 0.00 0.00 -0.01 0.00 0.00 64.34 66.50 2nwt n VAL 20 Cb 0.54 -3.13 0.00 0.00 -0.91 0.00 0.00 33.84 30.34 2nwt n VAL 20 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2nwt n ASP 21 N -1.39 0.00 -0.57 4.52 2.03 -1.26 -4.88 116.55 115.00 2nwt n ASP 21 Ca 0.00 -1.33 0.09 0.00 0.52 0.00 0.00 54.79 54.07 2nwt n ASP 21 Cb 0.14 -0.07 0.32 0.00 -0.72 0.00 0.00 41.12 40.80 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 0.00 1.69 0.00 -2.67 4.77 -1.26 -4.98 117.00 114.55 2nwt n LEU 22 Ca 0.00 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.24 2nwt n LEU 22 Cb 0.57 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2nwt n LEU 22 CO 0.00 0.37 0.00 1.17 -1.33 0.00 0.00 177.39 177.60 2nwt n LYS 23 N 0.35 0.00 -1.60 3.23 4.81 -1.26 -4.63 118.16 119.06 2nwt n LYS 23 Ca 0.15 0.00 -0.52 0.00 -0.87 0.00 0.00 58.31 57.07 2nwt n LYS 23 Cb 0.32 0.00 -0.06 0.00 0.02 0.00 0.00 35.03 35.31 2nwt n LYS 23 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2nwt n GLU 24 N -1.80 1.25 -0.67 1.64 4.71 -1.26 -1.83 120.64 122.68 2nwt n GLU 24 Ca 0.00 0.45 0.00 0.00 -0.01 0.00 0.00 57.16 57.60 2nwt n GLU 24 Cb 0.00 -2.11 0.00 0.00 -1.01 0.00 0.00 31.44 28.32 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 2.66 0.64 3.73 0.62 0.00 -1.26 -5.04 105.19 106.55 2nwt n GLY 25 Ca 0.18 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.58 4.64 -0.33 1.61 2.56 -0.76 -4.99 118.70 120.85 2nwt s GLU 26 Ca 0.00 1.34 -0.21 0.00 0.00 0.00 0.00 54.97 56.11 2nwt s GLU 26 Cb 0.00 -3.37 -0.00 0.00 2.00 0.00 0.00 34.13 32.76 2nwt s GLU 26 CO 0.00 0.24 0.65 1.03 -0.56 0.00 0.00 175.26 176.62 2nwt s ARG 27 N -0.03 3.79 0.20 4.30 3.00 -1.26 -5.03 118.95 123.92 2nwt s ARG 27 Ca 0.44 0.19 0.09 0.00 0.00 0.00 0.00 55.73 56.46 2nwt s ARG 27 Cb -0.23 -3.77 -0.05 0.00 0.00 0.00 0.00 34.95 30.91 2nwt s ARG 27 CO 0.28 -0.68 -0.18 0.14 0.00 0.00 0.00 175.30 174.86 2nwt s VAL 28 N 2.71 2.00 -0.05 3.52 -7.23 -1.26 -5.14 120.40 114.95 2nwt s VAL 28 Ca 0.26 -2.12 0.05 0.00 -1.81 0.00 0.00 61.98 58.36 2nwt s VAL 28 Cb -0.15 -2.03 -0.01 0.00 0.56 0.00 0.00 36.38 34.76 2nwt s VAL 28 CO 0.14 -0.39 -0.19 -0.54 -0.31 0.00 0.00 175.10 173.81 2nwt s LYS 29 N -3.17 1.96 -0.07 4.82 1.02 -1.26 -5.11 119.74 117.94 2nwt s LYS 29 Ca 0.21 -0.69 -0.19 0.00 0.02 0.00 0.00 55.97 55.32 2nwt s LYS 29 Cb -0.04 -1.70 -0.05 0.00 -0.52 0.00 0.00 37.83 35.52 2nwt s LYS 29 CO 0.09 0.29 0.53 0.42 -0.92 0.00 0.00 175.35 175.76 2nwt s ILE 30 N -0.04 5.08 -0.08 2.17 -1.09 -1.26 -5.05 121.20 120.94 2nwt s ILE 30 Ca -0.03 1.09 0.05 0.00 -2.23 0.00 0.00 60.65 59.52 2nwt s ILE 30 Cb -0.12 -3.87 -0.00 0.00 -1.58 0.00 0.00 42.46 36.89 2nwt s ILE 30 CO 0.02 0.36 -0.23 -0.54 -1.23 0.00 0.00 174.94 173.32 2nwt s LYS 31 N 0.31 2.63 -0.09 2.79 3.01 -1.26 -5.10 119.74 122.03 2nwt s LYS 31 Ca 0.29 -0.83 -0.28 0.00 -1.01 0.00 0.00 55.97 54.14 2nwt s LYS 31 Cb -0.16 -2.11 -0.02 0.00 -1.01 0.00 0.00 37.83 34.53 2nwt s LYS 31 CO 0.13 0.25 0.92 -0.51 0.51 0.00 0.00 175.35 176.66 2nwt s LEU 32 N 0.15 4.27 0.34 3.17 2.01 -1.26 -4.98 118.68 122.37 2nwt s LEU 32 Ca -0.11 1.44 -0.29 0.00 0.01 0.00 0.00 54.13 55.18 2nwt s LEU 32 Cb -0.16 -3.43 -0.11 0.00 0.01 0.00 0.00 46.19 42.51 2nwt s LEU 32 CO 0.06 -0.35 1.51 -0.70 1.01 0.00 0.00 176.35 177.88 2nwt s GLU 33 N 1.65 4.14 0.47 1.70 2.56 -1.26 -4.93 118.70 123.03 2nwt s GLU 33 Ca 0.46 2.54 -0.13 0.00 0.00 0.00 0.00 54.97 57.83 2nwt s GLU 33 Cb -0.18 -3.00 -0.07 0.00 2.00 0.00 0.00 34.13 32.88 2nwt s GLU 33 CO 0.19 -0.53 0.88 -0.51 -0.56 0.00 0.00 175.26 174.73 2nwt s LEU 34 N -1.47 3.68 0.09 2.70 1.43 -1.26 -5.08 118.68 118.77 2nwt s LEU 34 Ca 0.56 1.33 0.08 0.00 -1.03 0.00 0.00 54.13 55.07 2nwt s LEU 34 Cb -0.46 -4.25 -0.03 0.00 0.03 0.00 0.00 46.19 41.48 2nwt s LEU 34 CO 0.57 -0.52 -0.22 -1.59 0.23 0.00 0.00 176.35 174.81 2nwt s LYS 35 N -4.10 1.26 -0.11 1.70 0.00 -1.26 -5.13 119.74 112.11 2nwt s LYS 35 Ca 0.54 -1.13 -0.16 0.00 0.00 0.00 0.00 55.97 55.23 2nwt s LYS 35 Cb -0.10 -1.52 -0.05 0.00 0.00 0.00 0.00 37.83 36.16 2nwt s LYS 35 CO 0.34 0.37 0.39 0.54 0.00 0.00 0.00 175.35 176.99 2nwt s VAL 36 N -1.03 5.20 -0.37 1.79 0.11 -1.26 -5.05 120.40 119.79 2nwt s VAL 36 Ca 0.08 0.78 -0.02 0.00 -2.93 0.00 0.00 61.98 59.88 2nwt s VAL 36 Cb -0.10 -3.72 0.09 0.00 -1.53 0.00 0.00 36.38 31.12 2nwt s VAL 36 CO 0.04 0.41 0.13 -1.83 -3.33 0.00 0.00 175.10 170.51 2nwt s GLU 37 N 0.17 2.11 0.13 1.54 -1.05 -1.26 -5.09 118.70 115.24 2nwt s GLU 37 Ca 0.22 -1.64 -0.01 0.00 -0.15 0.00 0.00 54.97 53.39 2nwt s GLU 37 Cb -0.15 -3.43 0.03 0.00 -0.44 0.00 0.00 34.13 30.14 2nwt s GLU 37 CO 0.09 -0.91 0.18 -0.35 0.95 0.00 0.00 175.26 175.21 2nwt n PRO 38 N 4.59 0.22 -3.42 -4.83 -0.04 -1.26 -5.08 135.00 125.18 2nwt n PRO 38 Ca -0.05 -0.38 -0.35 0.00 -0.04 0.00 0.00 63.50 62.67 2nwt n PRO 38 Cb 0.42 -0.15 -0.06 0.00 -0.04 0.00 0.00 33.50 33.68 2nwt n PRO 38 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2nwt s ILE 39 N -0.75 4.92 -0.18 0.52 1.09 -1.26 -5.07 121.20 120.46 2nwt s ILE 39 Ca 0.11 0.72 -0.02 0.00 -1.10 0.00 0.00 60.65 60.36 2nwt s ILE 39 Cb -0.00 -3.71 -0.01 0.00 -1.06 0.00 0.00 42.46 37.68 2nwt s ILE 39 CO 0.07 0.26 -0.09 -0.62 -0.10 0.00 0.00 174.94 174.46 2nwt s ASP 40 N -1.73 4.10 0.44 3.58 2.15 -1.26 -5.11 116.67 118.85 2nwt s ASP 40 Ca 0.36 -0.39 -0.14 0.00 0.43 0.00 0.00 52.55 52.82 2nwt s ASP 40 Cb -0.15 -1.67 -0.07 0.00 -0.30 0.00 0.00 42.92 40.73 2nwt s ASP 40 CO 0.19 0.05 0.86 -1.48 -0.17 0.00 0.00 175.17 174.61 2nwt s LEU 41 N 1.06 3.77 -0.17 -1.34 2.34 -1.26 -5.07 118.68 118.01 2nwt s LEU 41 Ca 0.00 1.33 -0.00 0.00 0.06 0.00 0.00 54.13 55.52 2nwt s LEU 41 Cb -0.15 -4.23 0.04 0.00 -0.56 0.00 0.00 46.19 41.29 2nwt s LEU 41 CO -0.01 -0.45 -0.07 -0.83 -1.06 0.00 0.00 176.35 173.92 2nwt s GLY 42 N -3.01 1.03 -0.04 -3.48 0.00 -1.26 -5.10 107.32 95.45 2nwt s GLY 42 Ca 0.55 -0.91 -0.30 0.00 0.00 0.00 0.00 44.72 44.06 2nwt s GLY 42 CO 0.29 0.87 1.47 -0.54 0.00 0.00 0.00 173.10 175.20 2nwt s GLU 43 N 1.58 4.24 0.42 2.90 2.02 -1.26 -5.00 118.70 123.59 2nwt s GLU 43 Ca 0.01 2.01 -0.22 0.00 0.02 0.00 0.00 54.97 56.78 2nwt s GLU 43 Cb -0.15 -3.74 -0.10 0.00 0.10 0.00 0.00 34.13 30.24 2nwt s GLU 43 CO -0.08 -0.70 1.00 -1.25 0.02 0.00 0.00 175.26 174.26 2nwt s PRO 44 N 3.14 4.14 0.18 0.39 0.04 -1.26 -5.07 135.00 136.56 2nwt s PRO 44 Ca 0.66 1.33 0.04 0.00 0.04 0.00 0.00 61.00 63.07 2nwt s PRO 44 Cb -0.31 -2.35 -0.03 0.00 0.04 0.00 0.00 34.50 31.85 2nwt s PRO 44 CO 0.26 -0.14 0.29 0.08 0.04 0.00 0.00 177.00 177.53 2nwt s VAL 45 N -1.89 5.20 0.70 -0.36 1.01 -1.26 -5.12 120.40 118.69 2nwt s VAL 45 Ca 0.61 -0.83 -0.06 0.00 0.00 0.00 0.00 61.98 61.70 2nwt s VAL 45 Cb -0.16 -3.73 0.08 0.00 0.00 0.00 0.00 36.38 32.57 2nwt s VAL 45 CO 0.21 -0.17 1.00 -0.44 0.00 0.00 0.00 175.10 175.70 2nwt s SER 46 N -3.46 4.70 -0.05 3.32 0.01 -1.26 -5.08 113.70 111.88 2nwt s SER 46 Ca 0.34 0.28 -0.08 0.00 1.31 0.00 0.00 55.95 57.80 2nwt s SER 46 Cb -0.10 -0.89 -0.05 0.00 0.21 0.00 0.00 66.02 65.19 2nwt s SER 46 CO 0.28 -1.65 0.23 0.54 0.41 0.00 0.00 173.24 173.05 2nwt s VAL 47 N -3.22 5.35 0.00 3.43 0.11 -1.26 -4.95 120.40 119.87 2nwt s VAL 47 Ca 0.61 0.30 0.00 0.00 -2.93 0.00 0.00 61.98 59.96 2nwt s VAL 47 Cb -0.10 -3.52 0.00 0.00 -1.53 0.00 0.00 36.38 31.23 2nwt s VAL 47 CO 0.44 0.51 0.00 1.21 -3.33 0.00 0.00 175.10 173.94 2nwt n GLU 48 N 1.62 2.11 0.26 1.54 4.07 -1.26 -4.88 120.64 124.10 2nwt n GLU 48 Ca -0.16 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.08 2nwt n GLU 48 Cb 0.54 -0.60 0.71 0.00 -0.06 0.00 0.00 31.44 32.03 2nwt n GLU 48 CO 0.00 0.00 0.00 1.05 -0.06 0.00 0.00 177.13 178.12 2nwt h GLU 49 N 0.00 0.00 0.00 5.31 4.11 -2.06 -3.21 114.58 118.73 2nwt h GLU 49 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2nwt h GLU 49 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2nwt h GLU 49 CO 0.00 0.12 0.00 0.82 0.07 0.00 0.00 179.01 180.02 2nwt h ILE 50 N 0.00 0.00 -3.40 -1.06 2.04 -2.02 -3.43 117.51 109.64 2nwt h ILE 50 Ca -0.00 -0.16 -0.52 0.00 1.00 0.00 0.00 64.86 65.18 2nwt h ILE 50 Cb 0.40 0.85 0.02 0.00 -0.74 0.00 0.00 36.82 37.35 2nwt h ILE 50 CO 0.02 0.00 0.59 -1.59 0.00 0.00 0.00 178.15 177.17 2nwt s LYS 51 N -3.50 4.45 0.18 2.37 -2.85 -1.22 -5.03 119.74 114.15 2nwt s LYS 51 Ca 0.01 1.92 0.03 0.00 -1.00 0.00 0.00 55.97 56.92 2nwt s LYS 51 Cb 0.08 -3.24 -0.05 0.00 -2.06 0.00 0.00 37.83 32.57 2nwt s LYS 51 CO 0.34 -0.17 -0.02 0.15 0.10 0.00 0.00 175.35 175.75 2nwt s LYS 52 N 0.03 1.16 0.02 1.78 1.02 -1.26 -5.17 119.74 117.32 2nwt s LYS 52 Ca 0.55 -1.55 0.06 0.00 0.02 0.00 0.00 55.97 55.04 2nwt s LYS 52 Cb -0.33 -0.41 -0.02 0.00 -0.52 0.00 0.00 37.83 36.55 2nwt s LYS 52 CO 0.36 -0.09 -0.17 0.42 -0.92 0.00 0.00 175.35 174.95 2nwt s ILE 53 N -3.55 1.33 0.71 2.17 1.01 -1.26 -5.15 121.20 116.46 2nwt s ILE 53 Ca 0.24 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.91 2nwt s ILE 53 Cb 0.05 -1.16 0.11 0.00 0.01 0.00 0.00 42.46 41.48 2nwt s ILE 53 CO 0.04 0.18 0.98 -0.13 0.00 0.00 0.00 174.94 176.01 2nwt s ARG 54 N -0.92 1.78 0.25 2.79 0.52 -1.26 -5.12 118.95 117.00 2nwt s ARG 54 Ca 0.05 -0.99 0.10 0.00 -0.52 0.00 0.00 55.73 54.38 2nwt s ARG 54 Cb -0.08 -2.32 -0.05 0.00 0.52 0.00 0.00 34.95 33.03 2nwt s ARG 54 CO 0.01 -1.37 -0.09 0.34 0.02 0.00 0.00 175.30 174.20 2nwt s ASP 55 N -4.69 4.15 -0.32 0.23 2.15 -1.26 -5.10 116.67 111.83 2nwt s ASP 55 Ca 0.65 -0.77 -0.18 0.00 0.43 0.00 0.00 52.55 52.68 2nwt s ASP 55 Cb -0.06 -0.63 -0.01 0.00 -0.30 0.00 0.00 42.92 41.92 2nwt s ASP 55 CO 0.44 0.04 0.53 -0.83 -0.17 0.00 0.00 175.17 175.18 2nwt s GLY 56 N -3.44 1.81 -0.53 2.66 0.00 -1.26 -5.03 107.32 101.53 2nwt s GLY 56 Ca 0.29 -0.85 -0.18 0.00 0.00 0.00 0.00 44.72 43.99 2nwt s GLY 56 CO 0.17 1.29 0.58 -0.51 0.00 0.00 0.00 173.10 174.63 2nwt s THR 57 N 2.42 5.00 0.39 0.90 -4.23 -1.26 -5.06 115.64 113.80 2nwt s THR 57 Ca 0.20 -0.99 -0.14 0.00 -1.18 0.00 0.00 61.69 59.59 2nwt s THR 57 Cb -0.15 -4.33 -0.08 0.00 1.34 0.00 0.00 72.50 69.27 2nwt s THR 57 CO 0.12 -0.88 0.80 0.26 -0.54 0.00 0.00 174.62 174.38 2nwt s TRP 58 N 2.23 3.42 0.15 3.99 0.51 -1.26 -5.09 118.94 122.89 2nwt s TRP 58 Ca 0.09 1.20 -0.04 0.00 -2.12 0.00 0.00 56.10 55.23 2nwt s TRP 58 Cb -0.24 -2.55 -0.03 0.00 -0.81 0.00 0.00 33.47 29.84 2nwt s TRP 58 CO 0.07 -0.07 0.15 1.41 -0.51 0.00 0.00 176.95 178.01 2nwt s MET 59 N -3.52 1.03 -0.35 4.98 1.75 -1.26 -5.02 119.30 116.91 2nwt s MET 59 Ca 0.54 -1.33 -0.09 0.00 -1.25 0.00 0.00 55.69 53.56 2nwt s MET 59 Cb -0.10 0.30 0.01 0.00 2.84 0.00 0.00 34.83 37.88 2nwt s MET 59 CO 0.25 -0.33 0.34 0.43 -0.65 0.00 0.00 175.02 175.06 2nwt n SER 60 N -0.15 -7.47 -1.13 1.11 7.64 -1.26 -4.95 113.62 107.41 2nwt n SER 60 Ca -0.06 0.81 0.08 0.00 1.01 0.00 0.00 58.87 60.71 2nwt n SER 60 Cb 0.63 -5.00 0.28 0.00 -1.01 0.00 0.00 64.21 59.11 2nwt n SER 60 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2nwt n SER 61 N 0.05 4.10 -4.68 6.43 7.64 -1.26 -5.00 113.62 120.90 2nwt n SER 61 Ca 0.07 -2.60 -0.40 0.00 1.01 0.00 0.00 58.87 56.95 2nwt n SER 61 Cb 0.26 -0.49 -0.05 0.00 -1.01 0.00 0.00 64.21 62.91 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 -2.10 4.21 -0.25 -3.43 2.96 -1.26 -5.02 118.68 113.78 2nwt s LEU 62 Ca 0.42 0.96 -0.02 0.00 -0.22 0.00 0.00 54.13 55.26 2nwt s LEU 62 Cb 0.29 -2.96 0.14 0.00 0.50 0.00 0.00 46.19 44.17 2nwt s LEU 62 CO 0.16 -0.22 0.42 -0.70 -1.32 0.00 0.00 176.35 174.69 2nwt s GLU 63 N 1.51 0.39 -0.15 1.98 2.12 -1.26 -5.15 118.70 118.13 2nwt s GLU 63 Ca 0.32 0.62 -0.18 0.00 0.36 0.00 0.00 54.97 56.08 2nwt s GLU 63 Cb -0.16 -0.30 0.05 0.00 0.26 0.00 0.00 34.13 33.98 2nwt s GLU 63 CO 0.13 -0.64 0.48 -3.38 -0.54 0.00 0.00 175.26 171.30 2nwt s HIS 64 N 2.60 -0.50 -0.06 5.30 -3.43 -1.26 -5.08 115.29 112.86 2nwt s HIS 64 Ca 0.14 1.14 -0.05 0.00 -0.80 0.00 0.00 55.06 55.50 2nwt s HIS 64 Cb -0.15 0.19 0.02 0.00 -1.43 0.00 0.00 32.58 31.21 2nwt s HIS 64 CO -0.17 -0.31 0.09 1.58 -2.00 0.00 0.00 174.74 173.93 2nwt n HIS 65 N 2.42 -2.00 -4.61 0.38 -0.00 -1.26 -5.11 115.22 105.05 2nwt n HIS 65 Ca -0.15 1.17 -0.28 0.00 -0.00 0.00 0.00 57.72 58.46 2nwt n HIS 65 Cb 0.57 -2.61 -0.07 0.00 -0.00 0.00 0.00 29.99 27.88 2nwt n HIS 65 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2nwt n HIS 66 N 0.76 0.64 -3.77 1.57 8.25 -1.26 -5.15 115.22 116.26 2nwt n HIS 66 Ca -0.15 -2.45 -0.32 0.00 -0.26 0.00 0.00 57.72 54.54 2nwt n HIS 66 Cb 0.24 -0.17 -0.05 0.00 1.12 0.00 0.00 29.99 31.13 2nwt n HIS 66 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2nwt s HIS 67 N -2.88 3.50 -0.08 4.41 3.76 -1.26 -5.09 115.29 117.64 2nwt s HIS 67 Ca 0.10 0.45 0.02 0.00 -0.15 0.00 0.00 55.06 55.47 2nwt s HIS 67 Cb 0.00 -1.92 -0.02 0.00 1.11 0.00 0.00 32.58 31.76 2nwt s HIS 67 CO 0.07 0.51 -0.12 -1.01 -0.85 0.00 0.00 174.74 173.34 2nwt s HIS 68 N -1.56 2.79 -1.30 1.40 0.09 -1.26 -5.32 115.29 110.13 2nwt s HIS 68 Ca 0.37 -0.30 0.10 0.00 -0.00 0.00 0.00 55.06 55.24 2nwt s HIS 68 Cb -0.13 -1.73 0.08 0.00 -0.00 0.00 0.00 32.58 30.81 2nwt s HIS 68 CO 0.25 0.06 0.83 -2.39 -0.00 0.00 0.00 174.74 173.49