#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 2.82 0.26 0.03 0.02 -1.26 -4.93 135.00 131.94 2nwt s PRO 2 Ca 0.00 0.25 -0.05 0.00 0.02 0.00 0.00 61.00 61.22 2nwt s PRO 2 Cb 0.00 -4.40 -0.02 0.00 0.02 0.00 0.00 34.50 30.11 2nwt s PRO 2 CO 0.00 -2.58 0.36 0.15 -0.33 0.00 0.00 177.00 174.59 2nwt s LYS 3 N 6.59 1.55 0.00 5.54 1.02 -1.26 -5.16 119.74 128.03 2nwt s LYS 3 Ca 0.57 -1.56 0.04 0.00 0.02 0.00 0.00 55.97 55.05 2nwt s LYS 3 Cb -0.10 0.39 -0.03 0.00 -0.52 0.00 0.00 37.83 37.57 2nwt s LYS 3 CO 0.17 -0.61 -0.12 0.96 -0.92 0.00 0.00 175.35 174.83 2nwt s ILE 4 N -3.76 3.26 0.00 2.17 -0.00 -1.26 -5.13 121.20 116.49 2nwt s ILE 4 Ca 0.31 -0.89 -0.04 0.00 -0.00 0.00 0.00 60.65 60.04 2nwt s ILE 4 Cb 0.02 -2.38 -0.04 0.00 -0.00 0.00 0.00 42.46 40.06 2nwt s ILE 4 CO 0.14 0.42 0.21 -0.63 -0.00 0.00 0.00 174.94 175.08 2nwt s ILE 5 N -0.92 5.39 -0.17 8.37 1.01 -1.26 -5.09 121.20 128.53 2nwt s ILE 5 Ca 0.15 -0.07 -0.08 0.00 0.00 0.00 0.00 60.65 60.64 2nwt s ILE 5 Cb -0.11 -3.55 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 2nwt s ILE 5 CO 0.05 0.32 0.11 -1.61 0.00 0.00 0.00 174.94 173.81 2nwt s GLU 6 N -1.93 3.90 0.06 2.79 2.02 -1.26 -5.04 118.70 119.24 2nwt s GLU 6 Ca 0.28 -0.24 0.01 0.00 0.02 0.00 0.00 54.97 55.04 2nwt s GLU 6 Cb -0.13 -3.28 -0.03 0.00 0.10 0.00 0.00 34.13 30.79 2nwt s GLU 6 CO 0.18 0.43 -0.06 0.00 0.02 0.00 0.00 175.26 175.83 2nwt s ALA 7 N -0.03 0.67 -0.24 5.21 0.00 -1.26 0.38 121.76 126.49 2nwt s ALA 7 Ca 0.09 -1.06 -0.02 0.00 0.00 0.00 0.00 51.96 50.96 2nwt s ALA 7 Cb -0.12 0.14 0.01 0.00 0.00 0.00 0.00 23.12 23.16 2nwt s ALA 7 CO 0.00 -0.19 -0.06 0.14 0.00 0.00 0.00 175.76 175.65 2nwt s VAL 8 N -2.76 3.00 -0.16 0.00 -7.23 0.20 -4.86 120.40 108.59 2nwt s VAL 8 Ca 0.01 -0.84 -0.29 0.00 -1.81 0.00 0.00 61.98 59.05 2nwt s VAL 8 Cb -0.01 -2.46 -0.02 0.00 0.56 0.00 0.00 36.38 34.46 2nwt s VAL 8 CO -0.04 0.29 1.35 -0.47 -0.31 0.00 0.00 175.10 175.93 2nwt s TYR 9 N 1.38 2.64 -0.08 2.82 5.04 -1.25 -1.28 117.35 126.61 2nwt s TYR 9 Ca 0.02 0.83 -0.04 0.00 -2.44 0.00 0.00 57.07 55.44 2nwt s TYR 9 Cb -0.16 -3.64 0.04 0.00 0.35 0.00 0.00 41.96 38.56 2nwt s TYR 9 CO -0.05 -2.15 0.19 -2.00 -1.34 0.00 0.00 175.55 170.21 2nwt s GLU 10 N 3.71 0.15 -0.97 4.97 2.12 0.13 -4.87 118.70 123.93 2nwt s GLU 10 Ca 0.59 0.44 0.00 0.00 0.36 0.00 0.00 54.97 56.36 2nwt s GLU 10 Cb -0.23 -0.15 0.00 0.00 0.26 0.00 0.00 34.13 34.01 2nwt s GLU 10 CO 0.19 -0.16 0.00 -1.71 -0.54 0.00 0.00 175.26 173.03 2nwt n ASN 11 N 4.20 -3.93 0.00 -1.70 5.15 -1.26 -1.28 115.26 116.45 2nwt n ASN 11 Ca -0.26 0.17 0.00 0.00 -0.60 0.00 0.00 54.58 53.89 2nwt n ASN 11 Cb 0.52 -2.53 0.00 0.00 -0.53 0.00 0.00 39.78 37.24 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 -1.58 0.49 3.33 8.20 0.00 -1.26 -5.05 105.19 109.33 2nwt n GLY 12 Ca -0.10 -0.74 -0.26 0.00 0.00 0.00 0.00 46.02 44.91 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 1.96 -0.34 1.61 1.01 -0.40 -5.10 120.40 117.14 2nwt s VAL 13 Ca 0.00 -1.62 -0.15 0.00 0.00 0.00 0.00 61.98 60.21 2nwt s VAL 13 Cb 0.00 -1.76 -0.01 0.00 0.00 0.00 0.00 36.38 34.61 2nwt s VAL 13 CO 0.00 0.03 0.34 -0.36 0.00 0.00 0.00 175.10 175.11 2nwt s PHE 14 N -1.09 3.21 -0.31 5.22 0.08 -1.26 0.17 117.98 124.00 2nwt s PHE 14 Ca 0.10 -0.06 -0.00 0.00 0.12 0.00 0.00 56.93 57.09 2nwt s PHE 14 Cb -0.10 -2.63 0.06 0.00 -0.57 0.00 0.00 43.02 39.78 2nwt s PHE 14 CO 0.05 -0.42 -0.00 0.15 -0.10 0.00 0.00 175.22 174.90 2nwt s LYS 15 N 1.96 2.24 1.15 0.44 -0.14 -0.40 -4.93 119.74 120.06 2nwt s LYS 15 Ca 0.11 -1.41 -0.13 0.00 -1.36 0.00 0.00 55.97 53.18 2nwt s LYS 15 Cb -0.17 -3.15 0.27 0.00 -1.68 0.00 0.00 37.83 33.10 2nwt s LYS 15 CO 0.11 -0.69 1.01 -0.35 -0.76 0.00 0.00 175.35 174.68 2nwt n PRO 16 N 4.53 -2.23 0.00 -1.68 -0.04 -1.26 0.62 135.00 134.94 2nwt n PRO 16 Ca -0.10 -0.62 0.09 0.00 -0.04 0.00 0.00 63.50 62.83 2nwt n PRO 16 Cb 0.43 -2.19 -0.08 0.00 -0.04 0.00 0.00 33.50 31.62 2nwt n PRO 16 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2nwt n LEU 17 N -4.83 1.13 -3.91 1.53 4.77 0.16 -4.63 117.00 111.22 2nwt n LEU 17 Ca 0.04 -0.57 -0.14 0.00 -0.03 0.00 0.00 56.01 55.32 2nwt n LEU 17 Cb 0.54 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.49 2nwt n LEU 17 CO 0.56 0.25 -0.38 0.00 -1.33 0.00 0.00 177.39 176.49 2nwt s GLN 18 N -2.59 0.17 0.09 3.23 0.00 -1.26 -5.06 119.66 114.23 2nwt s GLN 18 Ca 0.09 -0.08 -0.30 0.00 -0.00 0.00 0.00 55.36 55.07 2nwt s GLN 18 Cb 0.14 -0.17 -0.06 0.00 0.00 0.00 0.00 33.01 32.93 2nwt s GLN 18 CO 0.69 0.05 1.08 0.21 0.00 0.00 0.00 175.29 177.31 2nwt s LYS 19 N -0.06 4.55 0.00 9.60 2.36 -1.26 -4.97 119.74 129.97 2nwt s LYS 19 Ca 0.01 1.62 0.07 0.00 -2.55 0.00 0.00 55.97 55.12 2nwt s LYS 19 Cb -0.01 -3.36 -0.02 0.00 -1.05 0.00 0.00 37.83 33.39 2nwt s LYS 19 CO -0.00 -0.04 -0.23 0.08 1.55 0.00 0.00 175.35 176.71 2nwt s VAL 20 N 0.51 1.82 -0.88 4.02 1.01 -1.26 -5.06 120.40 120.56 2nwt s VAL 20 Ca 0.52 -1.07 -0.12 0.00 0.00 0.00 0.00 61.98 61.31 2nwt s VAL 20 Cb -0.26 -1.53 0.23 0.00 0.00 0.00 0.00 36.38 34.81 2nwt s VAL 20 CO 0.31 0.44 0.82 -0.62 0.00 0.00 0.00 175.10 176.05 2nwt s ASP 21 N -0.74 6.80 0.30 3.32 -1.08 -1.26 -4.99 116.67 119.02 2nwt s ASP 21 Ca 0.09 -2.90 0.02 0.00 -0.52 0.00 0.00 52.55 49.24 2nwt s ASP 21 Cb -0.09 -2.19 0.02 0.00 -1.46 0.00 0.00 42.92 39.21 2nwt s ASP 21 CO -0.00 -0.50 0.20 0.18 0.52 0.00 0.00 175.17 175.57 2nwt n LEU 22 N 3.66 0.00 -4.96 -1.34 4.77 -1.26 -5.14 117.00 112.73 2nwt n LEU 22 Ca 0.16 -1.63 -0.22 0.00 -0.03 0.00 0.00 56.01 54.28 2nwt n LEU 22 Cb 0.45 0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.56 2nwt n LEU 22 CO 0.36 -0.41 0.30 -0.54 -1.33 0.00 0.00 177.39 175.76 2nwt s LYS 23 N -3.23 2.94 0.00 3.23 1.02 -1.26 -5.05 119.74 117.39 2nwt s LYS 23 Ca 0.15 -0.57 -0.30 0.00 0.02 0.00 0.00 55.97 55.26 2nwt s LYS 23 Cb -0.01 -2.55 -0.03 0.00 -0.52 0.00 0.00 37.83 34.72 2nwt s LYS 23 CO 0.09 -0.37 1.01 -1.21 -0.92 0.00 0.00 175.35 173.95 2nwt s GLU 24 N -4.60 4.54 -0.97 1.68 2.02 -1.26 -2.84 118.70 117.28 2nwt s GLU 24 Ca 0.51 1.46 -0.11 0.00 0.02 0.00 0.00 54.97 56.85 2nwt s GLU 24 Cb -0.10 -3.45 -0.01 0.00 0.10 0.00 0.00 34.13 30.67 2nwt s GLU 24 CO 0.38 -0.09 0.74 0.41 0.02 0.00 0.00 175.26 176.72 2nwt n GLY 25 N 2.95 -1.14 3.87 -1.39 0.00 -1.26 -5.01 105.19 103.21 2nwt n GLY 25 Ca 0.06 0.50 -0.32 0.00 0.00 0.00 0.00 46.02 46.27 2nwt n GLY 25 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2nwt s GLU 26 N -4.95 3.83 -0.55 1.61 0.41 -1.13 -5.03 118.70 112.88 2nwt s GLU 26 Ca 0.26 0.34 -0.22 0.00 -0.41 0.00 0.00 54.97 54.93 2nwt s GLU 26 Cb -0.09 -2.60 0.05 0.00 -1.78 0.00 0.00 34.13 29.71 2nwt s GLU 26 CO 0.84 0.28 0.82 1.03 -0.49 0.00 0.00 175.26 177.74 2nwt s ARG 27 N -2.89 3.21 0.14 1.61 3.00 -1.26 -5.00 118.95 117.76 2nwt s ARG 27 Ca 0.49 -0.62 0.07 0.00 0.00 0.00 0.00 55.73 55.67 2nwt s ARG 27 Cb -0.11 -4.11 -0.04 0.00 0.00 0.00 0.00 34.95 30.69 2nwt s ARG 27 CO 0.21 -1.45 -0.17 0.14 0.00 0.00 0.00 175.30 174.03 2nwt s VAL 28 N 3.45 1.59 0.01 3.52 -7.23 -1.26 -5.15 120.40 115.33 2nwt s VAL 28 Ca 0.23 -1.78 0.04 0.00 -1.81 0.00 0.00 61.98 58.66 2nwt s VAL 28 Cb -0.16 -1.66 -0.03 0.00 0.56 0.00 0.00 36.38 35.08 2nwt s VAL 28 CO 0.15 -0.33 -0.08 -0.54 -0.31 0.00 0.00 175.10 173.99 2nwt s LYS 29 N -2.62 2.48 -0.15 4.82 1.02 -1.26 -5.10 119.74 118.93 2nwt s LYS 29 Ca 0.11 -0.77 -0.06 0.00 0.02 0.00 0.00 55.97 55.28 2nwt s LYS 29 Cb -0.06 -2.46 -0.04 0.00 -0.52 0.00 0.00 37.83 34.76 2nwt s LYS 29 CO 0.05 0.59 0.05 0.42 -0.92 0.00 0.00 175.35 175.54 2nwt s ILE 30 N -1.00 4.71 0.07 2.17 -1.09 -1.26 -5.08 121.20 119.72 2nwt s ILE 30 Ca 0.17 -0.08 -0.02 0.00 -2.23 0.00 0.00 60.65 58.50 2nwt s ILE 30 Cb -0.11 -3.08 -0.04 0.00 -1.58 0.00 0.00 42.46 37.66 2nwt s ILE 30 CO 0.08 0.52 0.01 -1.59 -1.23 0.00 0.00 174.94 172.73 2nwt s LYS 31 N -0.12 0.71 0.10 2.79 -2.85 -1.26 -5.16 119.74 113.94 2nwt s LYS 31 Ca 0.06 -1.25 0.07 0.00 -1.00 0.00 0.00 55.97 53.85 2nwt s LYS 31 Cb -0.12 0.23 -0.04 0.00 -2.06 0.00 0.00 37.83 35.84 2nwt s LYS 31 CO 0.01 -0.16 -0.09 -0.51 0.10 0.00 0.00 175.35 174.70 2nwt s LEU 32 N -2.94 3.06 0.04 2.77 1.02 -1.26 -5.06 118.68 116.31 2nwt s LEU 32 Ca 0.11 -0.36 -0.30 0.00 0.02 0.00 0.00 54.13 53.59 2nwt s LEU 32 Cb 0.08 -1.85 -0.07 0.00 0.02 0.00 0.00 46.19 44.37 2nwt s LEU 32 CO -0.07 0.19 1.58 -1.61 0.02 0.00 0.00 176.35 176.45 2nwt s GLU 33 N -2.15 4.22 0.39 1.70 0.41 -1.26 -4.97 118.70 117.05 2nwt s GLU 33 Ca 0.21 2.21 -0.13 0.00 -0.41 0.00 0.00 54.97 56.86 2nwt s GLU 33 Cb -0.11 -3.62 -0.07 0.00 -1.78 0.00 0.00 34.13 28.55 2nwt s GLU 33 CO 0.13 -0.69 0.79 -0.51 -0.49 0.00 0.00 175.26 174.49 2nwt s LEU 34 N 2.66 3.88 0.32 1.80 1.02 -1.26 -5.07 118.68 122.03 2nwt s LEU 34 Ca 0.71 1.24 -0.02 0.00 0.02 0.00 0.00 54.13 56.08 2nwt s LEU 34 Cb -0.37 -4.11 -0.04 0.00 0.02 0.00 0.00 46.19 41.69 2nwt s LEU 34 CO 0.30 -0.36 0.54 -0.54 0.02 0.00 0.00 176.35 176.31 2nwt s LYS 35 N -3.60 3.54 0.09 1.70 3.01 -1.26 -5.06 119.74 118.17 2nwt s LYS 35 Ca 0.53 -0.19 -0.24 0.00 -1.01 0.00 0.00 55.97 55.06 2nwt s LYS 35 Cb -0.10 -2.66 -0.07 0.00 -1.01 0.00 0.00 37.83 33.99 2nwt s LYS 35 CO 0.27 0.18 0.74 0.08 0.51 0.00 0.00 175.35 177.13 2nwt s VAL 36 N -2.20 4.59 -0.65 3.17 1.01 -1.26 -5.01 120.40 120.04 2nwt s VAL 36 Ca 0.42 1.60 0.03 0.00 0.00 0.00 0.00 61.98 64.02 2nwt s VAL 36 Cb -0.10 -4.09 0.16 0.00 0.00 0.00 0.00 36.38 32.35 2nwt s VAL 36 CO 0.34 0.45 0.44 -0.70 0.00 0.00 0.00 175.10 175.62 2nwt s GLU 37 N -0.62 2.40 0.00 2.72 2.12 -1.26 -5.07 118.70 118.99 2nwt s GLU 37 Ca 0.36 -2.99 0.00 0.00 0.36 0.00 0.00 54.97 52.70 2nwt s GLU 37 Cb -0.21 -3.49 0.00 0.00 0.26 0.00 0.00 34.13 30.69 2nwt s GLU 37 CO 0.24 -1.21 0.00 -0.35 -0.54 0.00 0.00 175.26 173.40 2nwt n PRO 38 N 2.60 2.93 -3.63 4.30 -0.05 -1.26 -5.08 135.00 134.81 2nwt n PRO 38 Ca 0.13 0.00 -0.38 0.00 -0.05 0.00 0.00 63.50 63.21 2nwt n PRO 38 Cb 0.34 0.00 -0.06 0.00 -0.05 0.00 0.00 33.50 33.73 2nwt n PRO 38 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 175.50 175.87 2nwt s ILE 39 N 1.39 5.21 -0.26 0.52 1.01 -1.26 -5.07 121.20 122.74 2nwt s ILE 39 Ca 0.00 0.60 -0.04 0.00 0.00 0.00 0.00 60.65 61.21 2nwt s ILE 39 Cb 0.00 -3.60 0.01 0.00 0.01 0.00 0.00 42.46 38.88 2nwt s ILE 39 CO 0.00 0.58 -0.01 -0.62 0.00 0.00 0.00 174.94 174.89 2nwt s ASP 40 N -0.92 4.59 -0.09 3.58 2.15 -1.26 -5.08 116.67 119.64 2nwt s ASP 40 Ca 0.20 -0.69 -0.24 0.00 0.43 0.00 0.00 52.55 52.26 2nwt s ASP 40 Cb -0.15 -1.76 -0.03 0.00 -0.30 0.00 0.00 42.92 40.68 2nwt s ASP 40 CO 0.09 -0.12 0.72 -1.48 -0.17 0.00 0.00 175.17 174.22 2nwt s LEU 41 N 1.43 4.28 0.00 -1.34 2.34 -1.26 -4.92 118.68 119.21 2nwt s LEU 41 Ca 0.02 1.17 0.00 0.00 0.06 0.00 0.00 54.13 55.39 2nwt s LEU 41 Cb -0.16 -3.11 0.00 0.00 -0.56 0.00 0.00 46.19 42.36 2nwt s LEU 41 CO -0.02 -0.18 0.00 0.61 -1.06 0.00 0.00 176.35 175.71 2nwt n GLY 42 N 3.21 3.36 3.30 -3.48 0.00 -1.26 -5.13 105.19 105.18 2nwt n GLY 42 Ca -0.00 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.05 3.30 0.07 1.61 1.03 -1.26 -5.09 118.70 116.32 2nwt s GLU 43 Ca 0.00 -0.69 -0.31 0.00 0.03 0.00 0.00 54.97 54.00 2nwt s GLU 43 Cb 0.00 -2.76 -0.08 0.00 -0.80 0.00 0.00 34.13 30.49 2nwt s GLU 43 CO 0.00 -0.02 1.66 -1.25 -1.33 0.00 0.00 175.26 174.32 2nwt s PRO 44 N 0.95 4.19 0.28 -4.83 0.04 -1.26 -5.00 135.00 129.37 2nwt s PRO 44 Ca -0.02 2.35 -0.15 0.00 0.04 0.00 0.00 61.00 63.23 2nwt s PRO 44 Cb -0.15 -3.60 -0.08 0.00 0.04 0.00 0.00 34.50 30.71 2nwt s PRO 44 CO -0.01 -0.74 0.68 0.54 0.04 0.00 0.00 177.00 177.51 2nwt s VAL 45 N 2.64 4.73 0.49 -0.36 0.11 -1.26 -5.09 120.40 121.66 2nwt s VAL 45 Ca 0.74 0.89 0.09 0.00 -2.93 0.00 0.00 61.98 60.77 2nwt s VAL 45 Cb -0.40 -3.66 0.04 0.00 -1.53 0.00 0.00 36.38 30.83 2nwt s VAL 45 CO 0.33 -0.07 0.64 -0.44 -3.33 0.00 0.00 175.10 172.22 2nwt s SER 46 N -2.16 5.33 0.10 3.54 0.01 -1.26 -5.13 113.70 114.13 2nwt s SER 46 Ca 0.50 -0.66 0.10 0.00 1.31 0.00 0.00 55.95 57.20 2nwt s SER 46 Cb -0.12 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 2nwt s SER 46 CO 0.19 -1.01 -0.26 -0.69 0.41 0.00 0.00 173.24 171.87 2nwt s VAL 47 N -2.51 2.18 -0.26 3.43 1.01 -1.26 -5.11 120.40 117.88 2nwt s VAL 47 Ca 0.56 -1.60 -0.23 0.00 0.00 0.00 0.00 61.98 60.71 2nwt s VAL 47 Cb -0.07 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.39 2nwt s VAL 47 CO 0.35 0.19 0.75 -1.61 0.00 0.00 0.00 175.10 174.77 2nwt s GLU 48 N -1.73 4.12 0.01 2.72 2.02 -1.26 -4.89 118.70 119.68 2nwt s GLU 48 Ca 0.13 0.74 0.08 0.00 0.02 0.00 0.00 54.97 55.93 2nwt s GLU 48 Cb -0.10 -3.66 -0.23 0.00 0.10 0.00 0.00 34.13 30.24 2nwt s GLU 48 CO 0.04 -0.51 0.85 1.49 0.02 0.00 0.00 175.26 177.16 2nwt h GLU 49 N 7.83 0.05 -0.36 1.61 4.81 -2.08 -3.34 114.58 123.11 2nwt h GLU 49 Ca -0.25 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2nwt h GLU 49 Cb 1.10 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.52 2nwt h GLU 49 CO 0.84 0.76 0.00 0.44 -0.73 0.00 0.00 179.01 180.32 2nwt n ILE 50 N -3.21 0.32 -2.29 2.32 -5.35 -1.26 -4.85 119.36 105.03 2nwt n ILE 50 Ca -0.13 -0.24 -0.42 0.00 -0.27 0.00 0.00 62.75 61.70 2nwt n ILE 50 Cb 1.02 -0.04 -0.03 0.00 -1.74 0.00 0.00 39.64 38.85 2nwt n ILE 50 CO 0.00 0.00 0.00 -0.75 -1.76 0.00 0.00 176.55 174.04 2nwt s LYS 51 N -1.68 4.41 -0.08 6.28 2.20 -1.26 -5.00 119.74 124.61 2nwt s LYS 51 Ca 0.11 1.96 -0.03 0.00 -0.36 0.00 0.00 55.97 57.65 2nwt s LYS 51 Cb 0.06 -3.24 0.04 0.00 -1.51 0.00 0.00 37.83 33.18 2nwt s LYS 51 CO 0.06 -0.24 0.10 -1.59 -0.36 0.00 0.00 175.35 173.32 2nwt s LYS 52 N 0.28 -0.01 -0.51 4.03 -2.85 -1.26 -5.08 119.74 114.34 2nwt s LYS 52 Ca 0.57 0.34 -0.08 0.00 -1.00 0.00 0.00 55.97 55.80 2nwt s LYS 52 Cb -0.34 -0.72 0.13 0.00 -2.06 0.00 0.00 37.83 34.84 2nwt s LYS 52 CO 0.35 -0.40 0.37 0.96 0.10 0.00 0.00 175.35 176.73 2nwt s ILE 53 N 2.20 4.10 -0.01 3.79 -4.36 -1.26 -5.08 121.20 120.58 2nwt s ILE 53 Ca 0.04 -2.07 0.04 0.00 -0.26 0.00 0.00 60.65 58.41 2nwt s ILE 53 Cb -0.13 -3.70 -0.01 0.00 1.25 0.00 0.00 42.46 39.88 2nwt s ILE 53 CO -0.05 -0.80 -0.14 -0.13 0.24 0.00 0.00 174.94 174.05 2nwt s ARG 54 N 1.01 1.20 0.18 0.37 1.81 -1.26 -5.14 118.95 117.12 2nwt s ARG 54 Ca 0.09 -0.52 0.11 0.00 -1.72 0.00 0.00 55.73 53.69 2nwt s ARG 54 Cb -0.23 -1.15 -0.04 0.00 -0.45 0.00 0.00 34.95 33.07 2nwt s ARG 54 CO -0.02 0.30 -0.21 -0.51 -0.68 0.00 0.00 175.30 174.18 2nwt s ASP 55 N -0.31 3.60 -0.04 0.23 1.11 -1.26 -5.14 116.67 114.86 2nwt s ASP 55 Ca 0.05 -0.80 0.03 0.00 0.18 0.00 0.00 52.55 52.02 2nwt s ASP 55 Cb -0.06 -0.35 0.00 0.00 1.07 0.00 0.00 42.92 43.58 2nwt s ASP 55 CO -0.00 0.12 -0.14 -0.83 1.18 0.00 0.00 175.17 175.50 2nwt s GLY 56 N -2.65 0.76 -0.13 0.21 0.00 -1.26 -5.13 107.32 99.13 2nwt s GLY 56 Ca 0.21 -0.53 -0.13 0.00 0.00 0.00 0.00 44.72 44.28 2nwt s GLY 56 CO 0.11 -0.20 0.36 -1.08 0.00 0.00 0.00 173.10 172.28 2nwt s THR 57 N 0.16 0.00 -0.22 0.90 -1.32 -1.26 -5.16 115.64 108.75 2nwt s THR 57 Ca -0.05 -0.04 -0.17 0.00 -1.21 0.00 0.00 61.69 60.22 2nwt s THR 57 Cb -0.11 -0.52 0.06 0.00 -1.51 0.00 0.00 72.50 70.42 2nwt s THR 57 CO 0.02 -0.02 0.57 0.86 -2.21 0.00 0.00 174.62 173.83 2nwt s TRP 58 N 0.06 -0.73 -0.09 9.09 -0.00 -1.26 -5.17 118.94 120.83 2nwt s TRP 58 Ca -0.01 1.63 -0.30 0.00 -0.00 0.00 0.00 56.10 57.42 2nwt s TRP 58 Cb -0.03 0.33 0.07 0.00 -0.00 0.00 0.00 33.47 33.84 2nwt s TRP 58 CO 0.01 -0.37 0.71 0.00 -0.00 0.00 0.00 176.95 177.30 2nwt s MET 59 N 0.84 0.99 -0.13 5.86 0.23 -1.26 -5.15 119.30 120.68 2nwt s MET 59 Ca -0.04 0.38 -0.00 0.00 -1.03 0.00 0.00 55.69 54.99 2nwt s MET 59 Cb -0.05 0.47 0.03 0.00 -1.53 0.00 0.00 34.83 33.74 2nwt s MET 59 CO -0.07 -0.28 -0.09 -1.12 -2.03 0.00 0.00 175.02 171.43 2nwt s SER 60 N -0.91 2.38 -0.19 -1.18 0.01 -1.26 -5.00 113.70 107.55 2nwt s SER 60 Ca -0.09 -0.39 0.15 0.00 1.31 0.00 0.00 55.95 56.94 2nwt s SER 60 Cb -0.01 -0.92 0.66 0.00 0.21 0.00 0.00 66.02 65.96 2nwt s SER 60 CO 0.08 -0.12 1.57 -1.54 0.41 0.00 0.00 173.24 173.65 2nwt n SER 61 N 4.90 4.72 -3.79 2.44 3.41 -1.26 -4.86 113.62 119.17 2nwt n SER 61 Ca -0.13 -2.89 -0.42 0.00 -0.26 0.00 0.00 58.87 55.17 2nwt n SER 61 Cb 0.50 -0.60 -0.04 0.00 -0.26 0.00 0.00 64.21 63.81 2nwt n SER 61 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2nwt n LEU 62 N 0.15 4.77 -4.65 1.04 4.77 -1.26 -4.91 117.00 116.91 2nwt n LEU 62 Ca 0.24 -3.30 -0.43 0.00 -0.03 0.00 0.00 56.01 52.49 2nwt n LEU 62 Cb 1.01 -1.35 -0.02 0.00 -2.33 0.00 0.00 43.42 40.72 2nwt n LEU 62 CO 0.23 -0.09 1.15 -0.70 -1.33 0.00 0.00 177.39 176.65 2nwt s GLU 63 N 4.62 4.15 -0.26 3.23 -6.30 -1.26 -4.98 118.70 117.90 2nwt s GLU 63 Ca 0.56 1.67 -0.25 0.00 -2.50 0.00 0.00 54.97 54.44 2nwt s GLU 63 Cb 0.12 -3.83 0.08 0.00 0.00 0.00 0.00 34.13 30.50 2nwt s GLU 63 CO 0.06 -0.83 0.75 -3.38 0.02 0.00 0.00 175.26 171.89 2nwt s HIS 64 N 3.82 -0.75 -0.16 5.30 -3.43 -1.26 -5.15 115.29 113.66 2nwt s HIS 64 Ca 0.59 1.81 -0.02 0.00 -0.80 0.00 0.00 55.06 56.64 2nwt s HIS 64 Cb -0.23 0.29 -0.02 0.00 -1.43 0.00 0.00 32.58 31.19 2nwt s HIS 64 CO 0.19 -0.37 -0.08 -1.01 -2.00 0.00 0.00 174.74 171.46 2nwt s HIS 65 N 0.29 2.91 -0.09 0.38 3.76 -1.26 -5.10 115.29 116.18 2nwt s HIS 65 Ca -0.00 -0.66 -0.03 0.00 -0.15 0.00 0.00 55.06 54.21 2nwt s HIS 65 Cb -0.05 -1.95 0.04 0.00 1.11 0.00 0.00 32.58 31.74 2nwt s HIS 65 CO 0.01 -0.28 0.10 -1.58 -0.85 0.00 0.00 174.74 172.13 2nwt s HIS 66 N 0.70 0.02 0.08 1.40 2.46 -1.26 -4.88 115.29 113.82 2nwt s HIS 66 Ca -0.04 0.19 0.00 0.00 0.47 0.00 0.00 55.06 55.68 2nwt s HIS 66 Cb -0.15 -0.48 0.00 0.00 -0.13 0.00 0.00 32.58 31.82 2nwt s HIS 66 CO 0.02 -0.31 0.00 0.72 -2.47 0.00 0.00 174.74 172.70 2nwt n HIS 67 N 5.30 -0.35 0.00 3.88 8.25 -1.26 -4.97 115.22 126.07 2nwt n HIS 67 Ca -0.04 0.06 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 2nwt n HIS 67 Cb 0.50 0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.73 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 -3.25 0.00 -0.46 4.41 -0.00 -1.26 -5.38 115.22 109.27 2nwt n HIS 68 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2nwt n HIS 68 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.15 2nwt n HIS 68 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95