#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nwt n PRO 2 N 0.00 1.05 -3.77 2.12 -0.02 -1.26 -4.76 135.00 128.36 2nwt n PRO 2 Ca 0.00 -0.34 -0.10 0.00 -2.02 0.00 0.00 63.50 61.04 2nwt n PRO 2 Cb 0.00 -1.49 -0.06 0.00 -0.02 0.00 0.00 33.50 31.93 2nwt n PRO 2 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2nwt s LYS 3 N 1.06 0.90 -0.08 -0.52 3.01 -1.26 -5.14 119.74 117.72 2nwt s LYS 3 Ca 0.23 -0.79 0.02 0.00 -1.01 0.00 0.00 55.97 54.42 2nwt s LYS 3 Cb 0.11 0.38 0.01 0.00 -1.01 0.00 0.00 37.83 37.32 2nwt s LYS 3 CO 0.00 -0.31 -0.14 0.96 0.51 0.00 0.00 175.35 176.37 2nwt s ILE 4 N -3.57 1.31 0.01 2.17 -0.00 -1.26 -5.14 121.20 114.71 2nwt s ILE 4 Ca 0.02 -0.57 -0.18 0.00 -0.00 0.00 0.00 60.65 59.92 2nwt s ILE 4 Cb 0.03 -1.18 -0.06 0.00 -0.00 0.00 0.00 42.46 41.25 2nwt s ILE 4 CO -0.10 0.39 0.52 0.27 -0.00 0.00 0.00 174.94 176.03 2nwt s ILE 5 N 0.67 4.92 -0.07 8.37 -4.36 -1.26 -5.07 121.20 124.41 2nwt s ILE 5 Ca -0.14 1.09 -0.06 0.00 -0.26 0.00 0.00 60.65 61.28 2nwt s ILE 5 Cb -0.16 -3.85 -0.04 0.00 1.25 0.00 0.00 42.46 39.66 2nwt s ILE 5 CO 0.04 0.49 0.18 -1.61 0.24 0.00 0.00 174.94 174.28 2nwt s GLU 6 N -0.59 3.48 0.16 0.37 2.02 -1.26 -5.00 118.70 117.87 2nwt s GLU 6 Ca 0.28 -0.16 0.01 0.00 0.02 0.00 0.00 54.97 55.12 2nwt s GLU 6 Cb -0.18 -3.15 -0.04 0.00 0.10 0.00 0.00 34.13 30.86 2nwt s GLU 6 CO 0.16 0.73 0.01 0.00 0.02 0.00 0.00 175.26 176.18 2nwt s ALA 7 N -1.15 1.20 -0.13 5.21 0.00 -1.26 0.14 121.76 125.76 2nwt s ALA 7 Ca 0.20 -1.54 0.03 0.00 0.00 0.00 0.00 51.96 50.65 2nwt s ALA 7 Cb -0.13 0.60 0.01 0.00 0.00 0.00 0.00 23.12 23.60 2nwt s ALA 7 CO 0.10 -0.36 -0.22 0.14 0.00 0.00 0.00 175.76 175.42 2nwt s VAL 8 N -3.75 2.06 -0.41 0.00 -7.23 0.17 -4.89 120.40 106.35 2nwt s VAL 8 Ca 0.23 -0.99 -0.18 0.00 -1.81 0.00 0.00 61.98 59.23 2nwt s VAL 8 Cb 0.06 -1.81 0.02 0.00 0.56 0.00 0.00 36.38 35.21 2nwt s VAL 8 CO 0.03 0.55 0.51 -0.47 -0.31 0.00 0.00 175.10 175.41 2nwt s TYR 9 N 0.71 3.14 0.00 2.82 5.04 -1.24 -0.24 117.35 127.58 2nwt s TYR 9 Ca -0.10 -0.15 0.04 0.00 -2.44 0.00 0.00 57.07 54.42 2nwt s TYR 9 Cb -0.16 -3.03 -0.01 0.00 0.35 0.00 0.00 41.96 39.11 2nwt s TYR 9 CO 0.00 -0.71 -0.12 -1.83 -1.34 0.00 0.00 175.55 171.55 2nwt s GLU 10 N 2.39 0.96 -2.08 4.97 -1.05 0.14 -4.84 118.70 119.20 2nwt s GLU 10 Ca 0.17 -0.50 0.00 0.00 -0.15 0.00 0.00 54.97 54.48 2nwt s GLU 10 Cb -0.16 -0.94 0.00 0.00 -0.44 0.00 0.00 34.13 32.60 2nwt s GLU 10 CO 0.15 0.25 0.00 -1.71 0.95 0.00 0.00 175.26 174.90 2nwt n ASN 11 N 2.59 -5.47 0.00 0.83 5.15 -1.26 0.33 115.26 117.43 2nwt n ASN 11 Ca -0.15 0.43 0.00 0.00 -0.60 0.00 0.00 54.58 54.26 2nwt n ASN 11 Cb 0.56 -4.71 0.00 0.00 -0.53 0.00 0.00 39.78 35.10 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 -0.57 0.67 3.35 8.20 0.00 -1.26 -5.06 105.19 110.53 2nwt n GLY 12 Ca -0.21 -0.21 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 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 2.21 -0.32 1.61 1.01 0.15 -5.10 120.40 117.96 2nwt s VAL 13 Ca 0.00 -1.32 -0.10 0.00 0.00 0.00 0.00 61.98 60.55 2nwt s VAL 13 Cb 0.00 -1.85 -0.01 0.00 0.00 0.00 0.00 36.38 34.52 2nwt s VAL 13 CO 0.00 0.40 0.17 -0.36 0.00 0.00 0.00 175.10 175.31 2nwt s PHE 14 N -0.79 3.19 -0.30 5.22 0.08 -1.26 0.28 117.98 124.40 2nwt s PHE 14 Ca 0.12 -0.49 -0.08 0.00 0.12 0.00 0.00 56.93 56.60 2nwt s PHE 14 Cb -0.10 -2.38 0.00 0.00 -0.57 0.00 0.00 43.02 39.97 2nwt s PHE 14 CO 0.02 -0.43 0.11 0.15 -0.10 0.00 0.00 175.22 174.97 2nwt s LYS 15 N 1.64 3.17 1.12 0.44 1.02 0.67 -4.88 119.74 122.91 2nwt s LYS 15 Ca 0.05 -0.82 -0.13 0.00 0.02 0.00 0.00 55.97 55.10 2nwt s LYS 15 Cb -0.17 -3.46 0.26 0.00 -0.52 0.00 0.00 37.83 33.94 2nwt s LYS 15 CO 0.07 -0.45 1.05 -1.25 -0.92 0.00 0.00 175.35 173.85 2nwt s PRO 16 N 1.54 -0.55 0.00 -1.68 0.04 -1.26 0.44 135.00 133.53 2nwt s PRO 16 Ca 0.03 0.82 0.20 0.00 0.04 0.00 0.00 61.00 62.10 2nwt s PRO 16 Cb -0.17 -1.60 0.00 0.00 0.04 0.00 0.00 34.50 32.77 2nwt s PRO 16 CO 0.04 -3.47 1.00 1.28 0.04 0.00 0.00 177.00 175.89 2nwt n LEU 17 N -4.74 1.92 -4.01 -3.56 4.77 0.12 -4.70 117.00 106.80 2nwt n LEU 17 Ca 0.04 -0.78 -0.26 0.00 -0.03 0.00 0.00 56.01 54.99 2nwt n LEU 17 Cb 0.55 0.00 -0.17 0.00 -2.33 0.00 0.00 43.42 41.47 2nwt n LEU 17 CO 0.57 0.36 -0.47 -1.10 -1.33 0.00 0.00 177.39 175.42 2nwt s GLN 18 N -2.20 1.76 0.09 3.23 -0.21 -1.26 -5.05 119.66 116.02 2nwt s GLN 18 Ca 0.17 -0.41 -0.30 0.00 0.02 0.00 0.00 55.36 54.83 2nwt s GLN 18 Cb 0.16 -1.51 -0.06 0.00 1.00 0.00 0.00 33.01 32.60 2nwt s GLN 18 CO 0.49 -0.03 1.17 0.21 -2.12 0.00 0.00 175.29 175.01 2nwt s LYS 19 N 0.88 4.47 -0.03 2.91 2.20 -1.26 -5.00 119.74 123.90 2nwt s LYS 19 Ca -0.10 1.75 0.06 0.00 -0.36 0.00 0.00 55.97 57.32 2nwt s LYS 19 Cb -0.15 -3.33 -0.01 0.00 -1.51 0.00 0.00 37.83 32.82 2nwt s LYS 19 CO 0.01 -0.18 -0.20 0.08 -0.36 0.00 0.00 175.35 174.70 2nwt s VAL 20 N 0.77 1.62 -0.95 4.02 1.01 -1.26 -5.06 120.40 120.56 2nwt s VAL 20 Ca 0.57 -0.85 -0.15 0.00 0.00 0.00 0.00 61.98 61.54 2nwt s VAL 20 Cb -0.29 -1.36 0.18 0.00 0.00 0.00 0.00 36.38 34.91 2nwt s VAL 20 CO 0.31 0.46 1.03 -0.62 0.00 0.00 0.00 175.10 176.28 2nwt s ASP 21 N -0.26 6.80 0.10 3.32 2.15 -1.26 -4.96 116.67 122.56 2nwt s ASP 21 Ca 0.02 -2.56 0.00 0.00 0.43 0.00 0.00 52.55 50.45 2nwt s ASP 21 Cb -0.10 -2.31 -0.00 0.00 -0.30 0.00 0.00 42.92 40.21 2nwt s ASP 21 CO 0.01 -0.77 0.00 0.18 -0.17 0.00 0.00 175.17 174.43 2nwt n LEU 22 N 5.10 0.00 0.00 -1.34 4.77 -1.26 -5.17 117.00 119.10 2nwt n LEU 22 Ca 0.22 -0.64 -0.13 0.00 -0.03 0.00 0.00 56.01 55.43 2nwt n LEU 22 Cb 0.47 0.09 0.05 0.00 -2.33 0.00 0.00 43.42 41.70 2nwt n LEU 22 CO 0.45 -0.09 0.26 0.29 -1.33 0.00 0.00 177.39 176.96 2nwt n LYS 23 N -0.25 0.64 -3.26 3.23 5.02 -1.26 -5.08 118.16 117.21 2nwt n LYS 23 Ca -0.04 -1.95 -0.39 0.00 -2.02 0.00 0.00 58.31 53.91 2nwt n LYS 23 Cb 0.13 -0.20 -0.06 0.00 -0.02 0.00 0.00 35.03 34.88 2nwt n LYS 23 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2nwt s GLU 24 N -3.76 4.23 -0.95 1.97 8.01 -1.26 -4.04 118.70 122.90 2nwt s GLU 24 Ca 0.40 0.73 -0.10 0.00 0.01 0.00 0.00 54.97 56.01 2nwt s GLU 24 Cb -0.03 -3.27 -0.01 0.00 -4.31 0.00 0.00 34.13 26.51 2nwt s GLU 24 CO 0.25 0.56 0.72 0.41 0.01 0.00 0.00 175.26 177.22 2nwt n GLY 25 N 1.94 -1.15 3.70 -1.39 0.00 -1.26 -4.98 105.19 102.06 2nwt n GLY 25 Ca -0.09 0.50 -0.38 0.00 0.00 0.00 0.00 46.02 46.05 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 -4.89 4.27 -0.36 1.61 2.56 -1.26 -5.03 118.70 115.60 2nwt s GLU 26 Ca 0.23 0.32 -0.28 0.00 0.00 0.00 0.00 54.97 55.24 2nwt s GLU 26 Cb -0.08 -3.47 0.02 0.00 2.00 0.00 0.00 34.13 32.60 2nwt s GLU 26 CO 0.84 0.09 1.02 1.03 -0.56 0.00 0.00 175.26 177.68 2nwt s ARG 27 N 0.87 3.94 0.21 4.30 3.00 -1.26 -4.99 118.95 125.02 2nwt s ARG 27 Ca 0.22 0.82 0.04 0.00 0.00 0.00 0.00 55.73 56.81 2nwt s ARG 27 Cb -0.15 -3.78 -0.05 0.00 0.00 0.00 0.00 34.95 30.97 2nwt s ARG 27 CO 0.08 -0.97 -0.03 0.14 0.00 0.00 0.00 175.30 174.53 2nwt s VAL 28 N 3.67 1.04 0.02 3.52 -7.23 -1.26 -5.16 120.40 115.01 2nwt s VAL 28 Ca 0.43 -2.04 0.09 0.00 -1.81 0.00 0.00 61.98 58.65 2nwt s VAL 28 Cb -0.11 -2.22 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 2nwt s VAL 28 CO 0.18 -0.43 -0.26 -0.54 -0.31 0.00 0.00 175.10 173.74 2nwt s LYS 29 N -3.84 1.90 -0.06 4.82 1.02 -1.26 -5.13 119.74 117.20 2nwt s LYS 29 Ca 0.25 -1.05 0.01 0.00 0.02 0.00 0.00 55.97 55.20 2nwt s LYS 29 Cb 0.05 -2.00 -0.03 0.00 -0.52 0.00 0.00 37.83 35.33 2nwt s LYS 29 CO 0.07 0.53 -0.07 0.42 -0.92 0.00 0.00 175.35 175.37 2nwt s ILE 30 N -0.75 3.67 0.17 2.17 -1.09 -1.26 -5.11 121.20 119.00 2nwt s ILE 30 Ca 0.11 -0.52 -0.09 0.00 -2.23 0.00 0.00 60.65 57.92 2nwt s ILE 30 Cb -0.10 -2.51 -0.01 0.00 -1.58 0.00 0.00 42.46 38.26 2nwt s ILE 30 CO 0.01 0.58 0.29 -1.59 -1.23 0.00 0.00 174.94 173.00 2nwt s LYS 31 N -0.87 1.18 -0.14 2.79 -2.85 -1.26 -5.14 119.74 113.45 2nwt s LYS 31 Ca 0.13 -1.20 -0.00 0.00 -1.00 0.00 0.00 55.97 53.89 2nwt s LYS 31 Cb -0.11 0.38 -0.01 0.00 -2.06 0.00 0.00 37.83 36.02 2nwt s LYS 31 CO 0.02 -0.44 -0.12 -0.51 0.10 0.00 0.00 175.35 174.40 2nwt s LEU 32 N -2.98 2.74 0.54 2.77 1.43 -1.26 -5.08 118.68 116.84 2nwt s LEU 32 Ca 0.19 -0.33 -0.21 0.00 -1.03 0.00 0.00 54.13 52.75 2nwt s LEU 32 Cb 0.03 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 2nwt s LEU 32 CO 0.01 0.15 1.27 -0.70 0.23 0.00 0.00 176.35 177.31 2nwt s GLU 33 N 0.43 3.23 0.10 1.70 2.56 -1.26 -5.01 118.70 120.44 2nwt s GLU 33 Ca -0.09 2.01 -0.00 0.00 0.00 0.00 0.00 54.97 56.88 2nwt s GLU 33 Cb -0.16 -2.19 0.00 0.00 2.00 0.00 0.00 34.13 33.78 2nwt s GLU 33 CO 0.05 -1.05 0.12 1.28 -0.56 0.00 0.00 175.26 175.10 2nwt n LEU 34 N -1.07 0.00 -4.83 2.70 4.77 -1.26 -5.18 117.00 112.12 2nwt n LEU 34 Ca 0.11 -0.80 -0.23 0.00 -0.03 0.00 0.00 56.01 55.06 2nwt n LEU 34 Cb 0.47 0.66 -0.04 0.00 -2.33 0.00 0.00 43.42 42.18 2nwt n LEU 34 CO 0.49 -0.17 -0.05 -0.54 -1.33 0.00 0.00 177.39 175.79 2nwt s LYS 35 N -2.25 2.40 -0.00 3.23 -0.14 -1.26 -5.13 119.74 116.59 2nwt s LYS 35 Ca 0.09 -1.69 -0.07 0.00 -1.36 0.00 0.00 55.97 52.94 2nwt s LYS 35 Cb -0.00 -2.22 -0.05 0.00 -1.68 0.00 0.00 37.83 33.89 2nwt s LYS 35 CO 0.06 -0.22 0.26 0.54 -0.76 0.00 0.00 175.35 175.24 2nwt s VAL 36 N -2.55 5.31 -0.03 3.17 0.11 -1.26 -5.08 120.40 120.08 2nwt s VAL 36 Ca 0.44 0.18 -0.24 0.00 -2.93 0.00 0.00 61.98 59.44 2nwt s VAL 36 Cb -0.01 -3.56 -0.04 0.00 -1.53 0.00 0.00 36.38 31.24 2nwt s VAL 36 CO 0.25 0.39 0.73 -1.61 -3.33 0.00 0.00 175.10 171.54 2nwt s GLU 37 N -1.68 4.45 0.00 1.54 0.41 -1.26 -5.07 118.70 117.09 2nwt s GLU 37 Ca 0.26 0.95 0.00 0.00 -0.41 0.00 0.00 54.97 55.78 2nwt s GLU 37 Cb -0.13 -3.42 0.00 0.00 -1.78 0.00 0.00 34.13 28.80 2nwt s GLU 37 CO 0.15 0.13 0.00 -2.30 -0.49 0.00 0.00 175.26 172.75 2nwt n PRO 38 N 3.47 0.31 -3.24 0.39 -0.02 -1.26 -5.10 135.00 129.55 2nwt n PRO 38 Ca -0.01 0.00 -0.18 0.00 -2.02 0.00 0.00 63.50 61.28 2nwt n PRO 38 Cb 0.51 0.00 -0.00 0.00 -0.02 0.00 0.00 33.50 33.99 2nwt n PRO 38 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2nwt s ILE 39 N -0.69 3.22 -0.10 4.25 -4.36 -1.26 -5.13 121.20 117.13 2nwt s ILE 39 Ca 0.00 -1.07 -0.12 0.00 -0.26 0.00 0.00 60.65 59.19 2nwt s ILE 39 Cb 0.00 -3.10 0.03 0.00 1.25 0.00 0.00 42.46 40.64 2nwt s ILE 39 CO 0.00 -0.05 0.33 -0.62 0.24 0.00 0.00 174.94 174.84 2nwt s ASP 40 N -4.26 -0.31 0.16 4.36 2.15 -1.26 -5.17 116.67 112.34 2nwt s ASP 40 Ca 0.51 0.53 0.09 0.00 0.43 0.00 0.00 52.55 54.11 2nwt s ASP 40 Cb -0.09 0.60 -0.04 0.00 -0.30 0.00 0.00 42.92 43.09 2nwt s ASP 40 CO 0.31 -0.20 -0.20 -0.22 -0.17 0.00 0.00 175.17 174.70 2nwt s LEU 41 N -0.19 2.41 0.00 -1.34 2.96 -1.26 -5.15 118.68 116.11 2nwt s LEU 41 Ca -0.03 -0.83 0.00 0.00 -0.22 0.00 0.00 54.13 53.05 2nwt s LEU 41 Cb -0.03 -0.90 0.00 0.00 0.50 0.00 0.00 46.19 45.76 2nwt s LEU 41 CO 0.01 0.01 0.00 0.61 -1.32 0.00 0.00 176.35 175.67 2nwt n GLY 42 N 0.45 1.86 3.59 7.98 0.00 -1.26 -5.12 105.19 112.69 2nwt n GLY 42 Ca -0.14 -1.78 -0.31 0.00 0.00 0.00 0.00 46.02 43.79 2nwt n GLY 42 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2nwt s GLU 43 N 4.43 2.36 1.09 1.61 -1.05 -1.26 -5.13 118.70 120.75 2nwt s GLU 43 Ca 0.00 -0.87 -0.14 0.00 -0.15 0.00 0.00 54.97 53.82 2nwt s GLU 43 Cb 0.00 -2.41 0.24 0.00 -0.44 0.00 0.00 34.13 31.52 2nwt s GLU 43 CO 0.00 0.56 1.07 -2.14 0.95 0.00 0.00 175.26 175.70 2nwt s PRO 44 N -1.82 -0.29 0.63 -4.83 0.02 -1.26 -5.00 135.00 122.45 2nwt s PRO 44 Ca 0.20 0.50 -0.16 0.00 0.02 0.00 0.00 61.00 61.55 2nwt s PRO 44 Cb -0.11 -1.65 -0.02 0.00 0.02 0.00 0.00 34.50 32.74 2nwt s PRO 44 CO 0.11 -3.22 1.13 0.08 -0.33 0.00 0.00 177.00 174.77 2nwt s VAL 45 N -2.82 3.11 0.28 3.83 1.01 -1.26 -5.05 120.40 119.51 2nwt s VAL 45 Ca 0.67 0.57 0.09 0.00 0.00 0.00 0.00 61.98 63.32 2nwt s VAL 45 Cb -0.19 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.01 2nwt s VAL 45 CO 0.59 -0.26 -0.14 -0.94 0.00 0.00 0.00 175.10 174.35 2nwt s SER 46 N -2.26 3.24 -0.03 3.32 1.04 -1.26 -5.15 113.70 112.61 2nwt s SER 46 Ca 0.70 -1.10 0.03 0.00 0.48 0.00 0.00 55.95 56.06 2nwt s SER 46 Cb -0.23 -0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.65 2nwt s SER 46 CO 0.37 -0.14 -0.10 -0.69 0.98 0.00 0.00 173.24 173.66 2nwt s VAL 47 N -2.73 0.89 -0.13 5.02 1.01 -1.26 -5.14 120.40 118.06 2nwt s VAL 47 Ca 0.29 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 2nwt s VAL 47 Cb -0.01 -0.79 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 2nwt s VAL 47 CO 0.13 0.27 -0.02 -1.83 0.00 0.00 0.00 175.10 173.65 2nwt s GLU 48 N 0.18 3.43 0.38 2.72 1.03 -1.26 -4.98 118.70 120.21 2nwt s GLU 48 Ca -0.03 -0.48 0.21 0.00 0.03 0.00 0.00 54.97 54.70 2nwt s GLU 48 Cb -0.09 -2.88 0.25 0.00 -0.80 0.00 0.00 34.13 30.61 2nwt s GLU 48 CO 0.01 0.41 1.52 1.05 -1.33 0.00 0.00 175.26 176.92 2nwt h GLU 49 N 6.14 0.00 0.00 -4.83 9.09 -2.05 -3.17 114.58 119.76 2nwt h GLU 49 Ca -0.39 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.02 2nwt h GLU 49 Cb 1.19 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.29 2nwt h GLU 49 CO 0.60 0.11 0.00 -0.89 0.05 0.00 0.00 179.01 178.88 2nwt n ILE 50 N -3.09 1.12 -3.41 -1.06 5.41 -1.26 -4.44 119.36 112.62 2nwt n ILE 50 Ca 0.03 0.52 -0.37 0.00 1.00 0.00 0.00 62.75 63.93 2nwt n ILE 50 Cb 0.58 -1.48 -0.06 0.00 -0.71 0.00 0.00 39.64 37.97 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 -3.36 4.24 0.00 0.38 2.20 -1.20 -5.04 119.74 116.96 2nwt s LYS 51 Ca 0.01 0.34 0.00 0.00 -0.36 0.00 0.00 55.97 55.95 2nwt s LYS 51 Cb 0.06 -3.39 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 2nwt s LYS 51 CO 0.23 0.28 0.00 0.36 -0.36 0.00 0.00 175.35 175.86 2nwt n LYS 52 N 3.31 0.00 -1.82 4.03 2.85 -1.26 -5.00 118.16 120.27 2nwt n LYS 52 Ca -0.10 0.00 -0.02 0.00 -1.05 0.00 0.00 58.31 57.15 2nwt n LYS 52 Cb 0.52 0.00 -0.01 0.00 -0.65 0.00 0.00 35.03 34.88 2nwt n LYS 52 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 2nwt n ILE 53 N 0.00 -6.17 -4.44 0.58 5.41 -1.26 -5.10 119.36 108.39 2nwt n ILE 53 Ca 0.00 0.91 -0.20 0.00 1.00 0.00 0.00 62.75 64.46 2nwt n ILE 53 Cb 0.00 -4.45 -0.14 0.00 -0.71 0.00 0.00 39.64 34.34 2nwt n ILE 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2nwt s ARG 54 N -0.95 0.95 0.16 0.38 1.70 -1.26 -5.16 118.95 114.78 2nwt s ARG 54 Ca -0.09 -0.60 0.10 0.00 -0.47 0.00 0.00 55.73 54.67 2nwt s ARG 54 Cb 0.01 -0.93 -0.04 0.00 -0.57 0.00 0.00 34.95 33.42 2nwt s ARG 54 CO 0.24 0.24 -0.22 0.16 -1.08 0.00 0.00 175.30 174.64 2nwt s ASP 55 N -0.73 3.04 -0.70 -2.89 -4.77 -1.26 -5.08 116.67 104.28 2nwt s ASP 55 Ca 0.03 -0.83 0.05 0.00 -3.30 0.00 0.00 52.55 48.50 2nwt s ASP 55 Cb -0.06 -0.20 0.17 0.00 -1.09 0.00 0.00 42.92 41.73 2nwt s ASP 55 CO 0.00 0.07 0.49 -0.83 0.70 0.00 0.00 175.17 175.60 2nwt s GLY 56 N -2.50 2.89 0.00 2.12 0.00 -1.26 -5.08 107.32 103.51 2nwt s GLY 56 Ca 0.16 -3.80 -0.30 0.00 0.00 0.00 0.00 44.72 40.78 2nwt s GLY 56 CO 0.08 1.11 1.99 -1.59 0.00 0.00 0.00 173.10 174.68 2nwt s THR 57 N -1.41 3.03 -0.00 0.90 2.01 -1.26 -4.96 115.64 113.95 2nwt s THR 57 Ca 0.25 0.04 -0.11 0.00 0.31 0.00 0.00 61.69 62.18 2nwt s THR 57 Cb -0.04 -3.03 0.01 0.00 0.01 0.00 0.00 72.50 69.45 2nwt s THR 57 CO -0.17 -0.01 0.23 0.86 -0.69 0.00 0.00 174.62 174.84 2nwt s TRP 58 N 4.91 -0.07 0.00 4.92 -0.00 -1.26 -5.18 118.94 122.26 2nwt s TRP 58 Ca 0.89 0.06 0.00 0.00 -0.00 0.00 0.00 56.10 57.05 2nwt s TRP 58 Cb -0.41 0.02 0.00 0.00 -0.00 0.00 0.00 33.47 33.08 2nwt s TRP 58 CO 0.41 -0.35 0.00 -1.33 -0.00 0.00 0.00 176.95 175.68 2nwt n MET 59 N 1.32 0.53 -1.65 5.86 2.81 -1.26 -4.88 117.12 119.86 2nwt n MET 59 Ca -0.22 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.49 2nwt n MET 59 Cb 0.56 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 33.00 2nwt n MET 59 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2nwt n SER 60 N -0.83 -5.22 -0.98 7.83 7.64 -1.26 -4.85 113.62 115.95 2nwt n SER 60 Ca 0.00 0.39 0.03 0.00 1.01 0.00 0.00 58.87 60.30 2nwt n SER 60 Cb 0.00 -4.33 0.15 0.00 -1.01 0.00 0.00 64.21 59.02 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 -1.03 2.66 -4.58 6.43 7.64 -1.26 -4.85 113.62 118.63 2nwt n SER 61 Ca -0.19 -2.32 -0.26 0.00 1.01 0.00 0.00 58.87 57.11 2nwt n SER 61 Cb 0.61 -0.53 -0.09 0.00 -1.01 0.00 0.00 64.21 63.19 2nwt n SER 61 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2nwt s LEU 62 N -1.04 3.01 -0.04 -3.43 1.43 -1.26 -5.13 118.68 112.23 2nwt s LEU 62 Ca 0.20 -0.57 0.05 0.00 -1.03 0.00 0.00 54.13 52.78 2nwt s LEU 62 Cb 0.15 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 2nwt s LEU 62 CO 0.07 0.09 -0.17 -0.70 0.23 0.00 0.00 176.35 175.87 2nwt s GLU 63 N -2.90 1.74 -0.49 1.70 2.12 -1.26 -5.10 118.70 114.51 2nwt s GLU 63 Ca 0.26 -0.62 0.02 0.00 0.36 0.00 0.00 54.97 54.98 2nwt s GLU 63 Cb -0.09 -1.54 0.13 0.00 0.26 0.00 0.00 34.13 32.89 2nwt s GLU 63 CO 0.16 0.27 0.24 -1.01 -0.54 0.00 0.00 175.26 174.38 2nwt s HIS 64 N -0.05 3.40 -0.09 5.30 3.76 -1.26 -5.07 115.29 121.29 2nwt s HIS 64 Ca -0.02 -2.97 0.01 0.00 -0.15 0.00 0.00 55.06 51.93 2nwt s HIS 64 Cb -0.11 -2.96 0.02 0.00 1.11 0.00 0.00 32.58 30.64 2nwt s HIS 64 CO 0.02 -0.83 -0.08 -1.58 -0.85 0.00 0.00 174.74 171.41 2nwt s HIS 65 N 0.16 1.37 0.25 1.40 5.04 -1.26 -5.13 115.29 117.12 2nwt s HIS 65 Ca 0.15 -0.60 0.03 0.00 -1.54 0.00 0.00 55.06 53.10 2nwt s HIS 65 Cb -0.23 -1.11 0.03 0.00 0.04 0.00 0.00 32.58 31.31 2nwt s HIS 65 CO -0.03 -0.40 0.22 0.72 -2.34 0.00 0.00 174.74 172.91 2nwt n HIS 66 N 4.50 -1.37 -2.41 3.88 8.25 -1.26 -5.07 115.22 121.74 2nwt n HIS 66 Ca -0.17 -1.05 0.03 0.00 -0.26 0.00 0.00 57.72 56.28 2nwt n HIS 66 Cb 0.51 -0.21 0.05 0.00 1.12 0.00 0.00 29.99 31.45 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 -1.18 0.19 0.00 4.41 8.25 -1.26 -5.02 115.22 120.62 2nwt n HIS 67 Ca 0.01 -0.85 0.00 0.00 -0.26 0.00 0.00 57.72 56.62 2nwt n HIS 67 Cb 0.28 -0.18 0.00 0.00 1.12 0.00 0.00 29.99 31.22 2nwt n HIS 67 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2nwt n HIS 68 N 0.14 0.00 0.00 4.41 -0.00 -1.26 -5.41 115.22 113.11 2nwt n HIS 68 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.81 2nwt n HIS 68 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 31.04 2nwt n HIS 68 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92