#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 3.25 0.07 0.03 0.04 -1.26 -5.01 135.00 132.13 2nwt s PRO 2 Ca 0.00 -1.22 0.06 0.00 0.04 0.00 0.00 61.00 59.88 2nwt s PRO 2 Cb 0.00 -4.45 -0.03 0.00 0.04 0.00 0.00 34.50 30.06 2nwt s PRO 2 CO 0.00 -1.75 -0.15 0.21 0.04 0.00 0.00 177.00 175.34 2nwt s LYS 3 N 3.37 0.88 -0.05 4.56 2.20 -1.26 -5.15 119.74 124.30 2nwt s LYS 3 Ca 0.24 -0.97 0.04 0.00 -0.36 0.00 0.00 55.97 54.92 2nwt s LYS 3 Cb -0.14 -0.92 -0.02 0.00 -1.51 0.00 0.00 37.83 35.23 2nwt s LYS 3 CO 0.03 0.21 -0.16 0.96 -0.36 0.00 0.00 175.35 176.03 2nwt s ILE 4 N -1.21 2.91 0.18 5.43 -0.00 -1.26 -5.13 121.20 122.12 2nwt s ILE 4 Ca -0.00 -0.78 0.04 0.00 -0.00 0.00 0.00 60.65 59.90 2nwt s ILE 4 Cb -0.10 -2.13 -0.03 0.00 -0.00 0.00 0.00 42.46 40.20 2nwt s ILE 4 CO 0.02 0.59 0.30 -0.63 -0.00 0.00 0.00 174.94 175.23 2nwt s ILE 5 N -0.70 5.25 0.16 8.37 1.01 -1.26 -5.11 121.20 128.92 2nwt s ILE 5 Ca 0.11 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.95 2nwt s ILE 5 Cb -0.11 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.57 2nwt s ILE 5 CO 0.00 -0.18 0.31 -1.61 0.00 0.00 0.00 174.94 173.46 2nwt s GLU 6 N -3.50 3.46 -0.08 2.79 2.02 -1.26 -4.99 118.70 117.13 2nwt s GLU 6 Ca 0.34 -0.53 -0.13 0.00 0.02 0.00 0.00 54.97 54.67 2nwt s GLU 6 Cb -0.10 -2.93 0.03 0.00 0.10 0.00 0.00 34.13 31.22 2nwt s GLU 6 CO 0.28 0.49 0.33 0.00 0.02 0.00 0.00 175.26 176.39 2nwt s ALA 7 N -1.77 -0.83 -0.13 5.21 0.00 -1.26 0.40 121.76 123.37 2nwt s ALA 7 Ca 0.35 0.72 -0.02 0.00 0.00 0.00 0.00 51.96 53.02 2nwt s ALA 7 Cb -0.11 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 2nwt s ALA 7 CO 0.29 -0.20 -0.07 0.08 0.00 0.00 0.00 175.76 175.85 2nwt s VAL 8 N -0.42 3.60 -0.39 0.00 1.01 0.13 -4.82 120.40 119.52 2nwt s VAL 8 Ca -0.05 -0.47 -0.22 0.00 0.00 0.00 0.00 61.98 61.23 2nwt s VAL 8 Cb -0.04 -2.54 0.01 0.00 0.00 0.00 0.00 36.38 33.82 2nwt s VAL 8 CO 0.02 0.52 0.75 -0.47 0.00 0.00 0.00 175.10 175.92 2nwt s TYR 9 N 0.14 3.09 -0.01 5.22 5.04 -1.25 0.23 117.35 129.81 2nwt s TYR 9 Ca -0.03 0.38 0.01 0.00 -2.44 0.00 0.00 57.07 54.98 2nwt s TYR 9 Cb -0.14 -3.42 0.00 0.00 0.35 0.00 0.00 41.96 38.76 2nwt s TYR 9 CO 0.03 -0.79 -0.02 -1.21 -1.34 0.00 0.00 175.55 172.23 2nwt s GLU 10 N 3.06 0.21 -1.27 4.97 2.02 0.13 -4.86 118.70 122.96 2nwt s GLU 10 Ca 0.29 -0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.22 2nwt s GLU 10 Cb -0.13 -0.24 0.00 0.00 0.10 0.00 0.00 34.13 33.86 2nwt s GLU 10 CO 0.18 0.02 0.00 -1.71 0.02 0.00 0.00 175.26 173.77 2nwt n ASN 11 N 3.21 -4.49 0.00 -0.19 2.85 -1.26 -0.79 115.26 114.58 2nwt n ASN 11 Ca -0.15 0.30 0.00 0.00 -0.11 0.00 0.00 54.58 54.62 2nwt n ASN 11 Cb 0.58 -3.05 0.00 0.00 1.24 0.00 0.00 39.78 38.55 2nwt n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2nwt n GLY 12 N -1.44 0.58 3.27 8.20 0.00 -1.26 -5.06 105.19 109.48 2nwt n GLY 12 Ca -0.12 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.17 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 1.66 -0.34 1.61 1.01 0.02 -5.11 120.40 117.26 2nwt s VAL 13 Ca 0.00 -1.43 -0.17 0.00 0.00 0.00 0.00 61.98 60.38 2nwt s VAL 13 Cb 0.00 -1.50 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 2nwt s VAL 13 CO 0.00 0.00 0.44 -0.36 0.00 0.00 0.00 175.10 175.18 2nwt s PHE 14 N -1.07 3.20 -0.36 5.22 0.08 -1.26 0.22 117.98 124.02 2nwt s PHE 14 Ca 0.06 0.10 -0.06 0.00 0.12 0.00 0.00 56.93 57.15 2nwt s PHE 14 Cb -0.10 -2.79 0.05 0.00 -0.57 0.00 0.00 43.02 39.61 2nwt s PHE 14 CO 0.03 -0.48 0.13 0.15 -0.10 0.00 0.00 175.22 174.96 2nwt s LYS 15 N 2.21 2.56 1.06 0.44 1.02 0.14 -4.88 119.74 122.29 2nwt s LYS 15 Ca 0.15 -1.28 -0.22 0.00 0.02 0.00 0.00 55.97 54.65 2nwt s LYS 15 Cb -0.16 -3.51 -0.02 0.00 -0.52 0.00 0.00 37.83 33.62 2nwt s LYS 15 CO 0.12 -0.74 -0.58 -2.30 -0.92 0.00 0.00 175.35 170.93 2nwt n PRO 16 N 4.80 -0.87 -3.76 -1.68 -0.02 -1.26 0.22 135.00 132.43 2nwt n PRO 16 Ca -0.11 -0.24 -0.34 0.00 -2.02 0.00 0.00 63.50 60.78 2nwt n PRO 16 Cb 0.44 -1.42 -0.10 0.00 -0.02 0.00 0.00 33.50 32.40 2nwt n PRO 16 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2nwt s LEU 17 N 2.54 5.09 0.00 2.45 1.43 0.16 -4.59 118.68 125.76 2nwt s LEU 17 Ca 0.48 -3.16 0.00 0.00 -1.03 0.00 0.00 54.13 50.42 2nwt s LEU 17 Cb -0.05 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.37 2nwt s LEU 17 CO 0.67 -0.28 0.00 0.00 0.23 0.00 0.00 176.35 176.97 2nwt n GLN 18 N 3.03 0.00 -1.95 1.70 -0.00 -1.26 -4.52 117.38 114.38 2nwt n GLN 18 Ca 0.11 0.00 -0.34 0.00 -0.00 0.00 0.00 57.00 56.77 2nwt n GLN 18 Cb 0.36 0.00 0.03 0.00 -0.00 0.00 0.00 30.24 30.64 2nwt n GLN 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.06 175.47 2nwt s LYS 19 N -4.16 2.97 -0.08 2.61 -2.85 -1.26 -4.94 119.74 112.02 2nwt s LYS 19 Ca 0.00 1.58 0.02 0.00 -1.00 0.00 0.00 55.97 56.57 2nwt s LYS 19 Cb 0.00 -1.96 -0.02 0.00 -2.06 0.00 0.00 37.83 33.79 2nwt s LYS 19 CO 0.00 -1.15 -0.14 0.08 0.10 0.00 0.00 175.35 174.24 2nwt s VAL 20 N -1.98 3.03 -0.99 1.79 1.01 -1.26 -5.04 120.40 116.96 2nwt s VAL 20 Ca 0.71 -0.71 -0.18 0.00 0.00 0.00 0.00 61.98 61.81 2nwt s VAL 20 Cb -0.24 -2.22 0.14 0.00 0.00 0.00 0.00 36.38 34.06 2nwt s VAL 20 CO 0.35 0.56 1.20 -0.62 0.00 0.00 0.00 175.10 176.59 2nwt s ASP 21 N -0.29 6.73 0.37 3.32 -1.08 -1.26 -4.91 116.67 119.54 2nwt s ASP 21 Ca 0.02 -2.25 0.04 0.00 -0.52 0.00 0.00 52.55 49.83 2nwt s ASP 21 Cb -0.13 -2.40 -0.04 0.00 -1.46 0.00 0.00 42.92 38.89 2nwt s ASP 21 CO 0.03 -0.99 0.09 -0.76 0.52 0.00 0.00 175.17 174.05 2nwt s LEU 22 N 2.45 2.08 0.13 -1.34 1.43 -1.26 -5.16 118.68 117.01 2nwt s LEU 22 Ca 0.35 -1.52 0.02 0.00 -1.03 0.00 0.00 54.13 51.95 2nwt s LEU 22 Cb -0.04 -0.27 -0.04 0.00 0.03 0.00 0.00 46.19 45.87 2nwt s LEU 22 CO -0.07 -0.77 0.23 -1.59 0.23 0.00 0.00 176.35 174.38 2nwt s LYS 23 N -3.82 3.32 0.19 1.70 0.00 -1.26 -5.03 119.74 114.84 2nwt s LYS 23 Ca 0.29 -0.61 -0.32 0.00 0.00 0.00 0.00 55.97 55.34 2nwt s LYS 23 Cb 0.06 -2.92 -0.11 0.00 0.00 0.00 0.00 37.83 34.85 2nwt s LYS 23 CO 0.14 0.54 1.67 -1.21 0.00 0.00 0.00 175.35 176.49 2nwt s GLU 24 N -2.99 4.16 -0.86 1.78 2.02 -1.26 -1.52 118.70 120.03 2nwt s GLU 24 Ca 0.34 2.52 -0.03 0.00 0.02 0.00 0.00 54.97 57.82 2nwt s GLU 24 Cb -0.11 -3.11 -0.03 0.00 0.10 0.00 0.00 34.13 30.97 2nwt s GLU 24 CO 0.27 -0.70 0.78 0.41 0.02 0.00 0.00 175.26 176.04 2nwt n GLY 25 N 3.90 -1.17 3.79 -1.39 0.00 -1.26 -5.06 105.19 104.01 2nwt n GLY 25 Ca 0.15 0.51 -0.34 0.00 0.00 0.00 0.00 46.02 46.33 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 -3.64 3.16 -0.17 1.61 0.41 -0.57 -5.09 118.70 114.41 2nwt s GLU 26 Ca 0.21 -0.37 -0.16 0.00 -0.41 0.00 0.00 54.97 54.24 2nwt s GLU 26 Cb -0.03 -2.94 -0.04 0.00 -1.78 0.00 0.00 34.13 29.34 2nwt s GLU 26 CO 0.72 0.70 0.40 1.03 -0.49 0.00 0.00 175.26 177.62 2nwt s ARG 27 N -1.37 4.24 0.07 1.61 0.52 -1.26 -5.04 118.95 117.72 2nwt s ARG 27 Ca 0.19 0.26 0.02 0.00 -0.52 0.00 0.00 55.73 55.68 2nwt s ARG 27 Cb -0.12 -3.48 -0.03 0.00 0.52 0.00 0.00 34.95 31.84 2nwt s ARG 27 CO 0.09 0.08 -0.07 0.14 0.02 0.00 0.00 175.30 175.56 2nwt s VAL 28 N 0.93 0.60 0.07 3.52 -7.23 -1.26 -5.16 120.40 111.87 2nwt s VAL 28 Ca 0.21 -1.51 0.09 0.00 -1.81 0.00 0.00 61.98 58.95 2nwt s VAL 28 Cb -0.14 -1.15 -0.03 0.00 0.56 0.00 0.00 36.38 35.61 2nwt s VAL 28 CO 0.08 -0.64 -0.24 -0.54 -0.31 0.00 0.00 175.10 173.44 2nwt s LYS 29 N -2.74 1.77 -0.01 4.82 1.02 -1.26 -5.12 119.74 118.22 2nwt s LYS 29 Ca 0.01 -1.14 0.04 0.00 0.02 0.00 0.00 55.97 54.90 2nwt s LYS 29 Cb -0.02 -2.02 -0.03 0.00 -0.52 0.00 0.00 37.83 35.24 2nwt s LYS 29 CO -0.02 0.50 -0.11 0.42 -0.92 0.00 0.00 175.35 175.21 2nwt s ILE 30 N -0.92 3.29 -0.01 2.17 -1.09 -1.26 -5.10 121.20 118.28 2nwt s ILE 30 Ca 0.13 -0.83 -0.23 0.00 -2.23 0.00 0.00 60.65 57.50 2nwt s ILE 30 Cb -0.10 -2.37 0.05 0.00 -1.58 0.00 0.00 42.46 38.45 2nwt s ILE 30 CO 0.04 0.46 0.51 -1.59 -1.23 0.00 0.00 174.94 173.12 2nwt s LYS 31 N -1.17 0.92 -0.22 2.79 0.00 -1.26 -5.15 119.74 115.65 2nwt s LYS 31 Ca 0.14 -0.05 -0.13 0.00 0.00 0.00 0.00 55.97 55.94 2nwt s LYS 31 Cb -0.11 0.42 -0.05 0.00 0.00 0.00 0.00 37.83 38.10 2nwt s LYS 31 CO 0.04 -0.29 0.26 -0.51 0.00 0.00 0.00 175.35 174.85 2nwt s LEU 32 N -1.49 4.13 0.27 2.77 1.02 -1.26 -5.05 118.68 119.08 2nwt s LEU 32 Ca -0.10 0.29 -0.11 0.00 0.02 0.00 0.00 54.13 54.23 2nwt s LEU 32 Cb -0.02 -2.28 -0.08 0.00 0.02 0.00 0.00 46.19 43.84 2nwt s LEU 32 CO 0.04 0.00 0.62 -1.61 0.02 0.00 0.00 176.35 175.43 2nwt s GLU 33 N 1.16 3.85 0.11 1.70 0.41 -1.26 -5.08 118.70 119.59 2nwt s GLU 33 Ca 0.12 0.39 0.01 0.00 -0.41 0.00 0.00 54.97 55.08 2nwt s GLU 33 Cb -0.14 -2.56 0.01 0.00 -1.78 0.00 0.00 34.13 29.65 2nwt s GLU 33 CO 0.06 0.24 0.05 1.28 -0.49 0.00 0.00 175.26 176.39 2nwt n LEU 34 N -0.34 0.00 -4.97 1.80 4.77 -1.26 -5.15 117.00 111.84 2nwt n LEU 34 Ca 0.01 -0.62 -0.22 0.00 -0.03 0.00 0.00 56.01 55.15 2nwt n LEU 34 Cb 0.53 0.03 0.06 0.00 -2.33 0.00 0.00 43.42 41.70 2nwt n LEU 34 CO 0.44 -0.22 0.43 -1.59 -1.33 0.00 0.00 177.39 175.12 2nwt s LYS 35 N -2.43 2.31 0.21 3.23 -2.85 -1.26 -5.12 119.74 113.82 2nwt s LYS 35 Ca 0.04 -0.83 0.09 0.00 -1.00 0.00 0.00 55.97 54.26 2nwt s LYS 35 Cb -0.00 -2.43 -0.04 0.00 -2.06 0.00 0.00 37.83 33.30 2nwt s LYS 35 CO 0.02 -0.93 -0.04 0.54 0.10 0.00 0.00 175.35 175.04 2nwt s VAL 36 N -2.89 3.40 -0.04 1.79 0.11 -1.26 -5.12 120.40 116.40 2nwt s VAL 36 Ca 0.60 -1.68 -0.22 0.00 -2.93 0.00 0.00 61.98 57.75 2nwt s VAL 36 Cb -0.09 -2.73 -0.05 0.00 -1.53 0.00 0.00 36.38 31.98 2nwt s VAL 36 CO 0.40 -0.19 0.63 -1.61 -3.33 0.00 0.00 175.10 171.00 2nwt s GLU 37 N -3.12 4.38 0.08 1.54 8.01 -1.26 -5.07 118.70 123.26 2nwt s GLU 37 Ca 0.28 0.77 -0.01 0.00 0.01 0.00 0.00 54.97 56.01 2nwt s GLU 37 Cb -0.08 -3.39 0.02 0.00 -4.31 0.00 0.00 34.13 26.36 2nwt s GLU 37 CO 0.17 0.23 0.11 -2.30 0.01 0.00 0.00 175.26 173.48 2nwt n PRO 38 N 3.23 -0.10 -2.30 0.39 -0.02 -1.26 -5.07 135.00 129.88 2nwt n PRO 38 Ca -0.05 -0.18 -0.27 0.00 -2.02 0.00 0.00 63.50 60.98 2nwt n PRO 38 Cb 0.51 -0.12 0.03 0.00 -0.02 0.00 0.00 33.50 33.91 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 -1.22 3.68 0.41 4.25 -5.25 -1.26 -5.09 121.20 116.71 2nwt s ILE 39 Ca 0.06 0.12 0.04 0.00 -0.99 0.00 0.00 60.65 59.88 2nwt s ILE 39 Cb -0.00 -3.48 0.00 0.00 2.95 0.00 0.00 42.46 41.93 2nwt s ILE 39 CO 0.04 -0.52 0.58 -0.62 -1.79 0.00 0.00 174.94 172.64 2nwt s ASP 40 N -4.31 5.78 0.80 4.36 2.15 -1.26 -5.10 116.67 119.08 2nwt s ASP 40 Ca 0.54 -0.08 -0.12 0.00 0.43 0.00 0.00 52.55 53.33 2nwt s ASP 40 Cb -0.11 -1.15 0.07 0.00 -0.30 0.00 0.00 42.92 41.43 2nwt s ASP 40 CO 0.47 -0.66 1.12 -0.76 -0.17 0.00 0.00 175.17 175.16 2nwt s LEU 41 N -4.39 2.56 0.00 -1.34 1.43 -1.26 -5.09 118.68 110.59 2nwt s LEU 41 Ca 0.49 1.12 0.00 0.00 -1.03 0.00 0.00 54.13 54.72 2nwt s LEU 41 Cb -0.10 -3.71 0.00 0.00 0.03 0.00 0.00 46.19 42.41 2nwt s LEU 41 CO 0.34 -1.90 0.00 0.61 0.23 0.00 0.00 176.35 175.63 2nwt n GLY 42 N -2.54 2.19 3.14 -3.19 0.00 -1.26 -5.15 105.19 98.38 2nwt n GLY 42 Ca 0.07 -1.82 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 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 4.41 0.74 1.02 1.61 -1.05 -1.26 -5.17 118.70 119.00 2nwt s GLU 43 Ca 0.00 -1.16 -0.17 0.00 -0.15 0.00 0.00 54.97 53.49 2nwt s GLU 43 Cb 0.00 -0.24 0.24 0.00 -0.44 0.00 0.00 34.13 33.69 2nwt s GLU 43 CO 0.00 0.01 1.15 -0.35 0.95 0.00 0.00 175.26 177.01 2nwt n PRO 44 N 0.42 -2.01 -4.05 -4.83 -0.04 -1.26 -5.08 135.00 118.15 2nwt n PRO 44 Ca -0.15 -1.80 -0.25 0.00 -0.04 0.00 0.00 63.50 61.26 2nwt n PRO 44 Cb 0.59 -1.39 -0.05 0.00 -0.04 0.00 0.00 33.50 32.61 2nwt n PRO 44 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2nwt s VAL 45 N -3.34 4.72 0.17 0.52 1.01 -1.26 -5.13 120.40 117.10 2nwt s VAL 45 Ca 0.69 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 61.66 2nwt s VAL 45 Cb -0.04 -3.45 0.03 0.00 0.00 0.00 0.00 36.38 32.92 2nwt s VAL 45 CO 0.50 -0.15 0.22 -1.20 0.00 0.00 0.00 175.10 174.47 2nwt n SER 46 N -0.58 0.76 -4.43 3.32 7.64 -1.26 -5.11 113.62 113.96 2nwt n SER 46 Ca -0.08 -1.48 -0.34 0.00 1.01 0.00 0.00 58.87 57.98 2nwt n SER 46 Cb 0.55 -0.11 -0.13 0.00 -1.01 0.00 0.00 64.21 63.51 2nwt n SER 46 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2nwt s VAL 47 N -0.19 3.62 0.50 0.44 1.01 -1.26 -5.11 120.40 119.41 2nwt s VAL 47 Ca 0.17 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 61.76 2nwt s VAL 47 Cb -0.01 -2.59 0.04 0.00 0.00 0.00 0.00 36.38 33.82 2nwt s VAL 47 CO 0.11 0.48 0.69 -1.61 0.00 0.00 0.00 175.10 174.77 2nwt s GLU 48 N 0.60 2.58 0.23 2.72 8.01 -1.26 -5.02 118.70 126.57 2nwt s GLU 48 Ca -0.04 -1.15 0.18 0.00 0.01 0.00 0.00 54.97 53.98 2nwt s GLU 48 Cb -0.15 -2.63 0.04 0.00 -4.31 0.00 0.00 34.13 27.08 2nwt s GLU 48 CO 0.03 -0.57 1.21 1.05 0.01 0.00 0.00 175.26 176.98 2nwt h GLU 49 N 0.32 0.00 0.00 1.61 9.09 -2.00 -3.22 114.58 120.38 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 1.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.39 2nwt h GLU 49 CO 0.46 0.25 0.00 0.82 0.05 0.00 0.00 179.01 180.59 2nwt h ILE 50 N 0.00 0.00 -4.14 -1.06 1.08 -2.04 -3.43 117.51 107.92 2nwt h ILE 50 Ca -0.05 -0.28 -0.46 0.00 -0.39 0.00 0.00 64.86 63.68 2nwt h ILE 50 Cb 1.29 1.06 0.00 0.00 -3.07 0.00 0.00 36.82 36.11 2nwt h ILE 50 CO 0.03 0.00 0.36 -0.54 -0.69 0.00 0.00 178.15 177.32 2nwt s LYS 51 N -3.37 4.03 0.07 2.37 1.02 -1.22 -4.93 119.74 117.71 2nwt s LYS 51 Ca 0.04 1.04 -0.31 0.00 0.02 0.00 0.00 55.97 56.75 2nwt s LYS 51 Cb 0.09 -2.15 -0.10 0.00 -0.52 0.00 0.00 37.83 35.15 2nwt s LYS 51 CO 0.42 -0.20 1.88 0.36 -0.92 0.00 0.00 175.35 176.89 2nwt n LYS 52 N -1.23 2.72 -4.54 1.68 2.85 -1.26 -4.97 118.16 113.40 2nwt n LYS 52 Ca 0.07 0.99 -0.22 0.00 -1.05 0.00 0.00 58.31 58.10 2nwt n LYS 52 Cb 0.54 -2.90 -0.14 0.00 -0.65 0.00 0.00 35.03 31.88 2nwt n LYS 52 CO 0.00 0.00 0.00 -1.50 -0.05 0.00 0.00 177.40 175.85 2nwt s ILE 53 N 3.44 1.15 0.34 0.58 2.07 -1.26 -5.12 121.20 122.40 2nwt s ILE 53 Ca 0.86 -0.79 0.05 0.00 -1.41 0.00 0.00 60.65 59.35 2nwt s ILE 53 Cb -0.50 -0.99 0.05 0.00 0.13 0.00 0.00 42.46 41.15 2nwt s ILE 53 CO 0.41 0.19 0.40 -2.11 -1.91 0.00 0.00 174.94 171.91 2nwt n ARG 54 N 2.36 0.85 -0.12 3.50 1.85 -1.26 -5.04 116.66 118.80 2nwt n ARG 54 Ca -0.16 -1.95 0.02 0.00 -1.00 0.00 0.00 57.85 54.76 2nwt n ARG 54 Cb 0.55 -0.01 -0.00 0.00 -1.05 0.00 0.00 32.46 31.94 2nwt n ARG 54 CO 0.00 0.00 0.00 -3.47 -0.01 0.00 0.00 177.63 174.15 2nwt n ASP 55 N -2.34 -2.27 0.00 2.89 -0.08 -1.26 -5.09 116.55 108.40 2nwt n ASP 55 Ca 0.06 0.13 0.00 0.00 -1.51 0.00 0.00 54.79 53.47 2nwt n ASP 55 Cb 0.37 -0.37 0.00 0.00 2.34 0.00 0.00 41.12 43.45 2nwt n ASP 55 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2nwt n GLY 56 N -0.52 3.01 3.80 0.27 0.00 -1.26 -5.19 105.19 105.29 2nwt n GLY 56 Ca 0.00 -0.31 -0.08 0.00 0.00 0.00 0.00 46.02 45.63 2nwt n GLY 56 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2nwt s THR 57 N -0.60 0.00 -0.07 2.61 -1.32 -1.26 -5.17 115.64 109.84 2nwt s THR 57 Ca 0.00 -1.07 -0.05 0.00 -1.21 0.00 0.00 61.69 59.37 2nwt s THR 57 Cb 0.00 -2.35 -0.04 0.00 -1.51 0.00 0.00 72.50 68.60 2nwt s THR 57 CO 0.00 0.00 0.15 0.86 -2.21 0.00 0.00 174.62 173.42 2nwt s TRP 58 N -3.33 3.53 0.08 9.09 -0.00 -1.26 -5.10 118.94 121.95 2nwt s TRP 58 Ca 0.14 0.42 0.05 0.00 -0.00 0.00 0.00 56.10 56.72 2nwt s TRP 58 Cb -0.05 -1.87 -0.04 0.00 -0.00 0.00 0.00 33.47 31.51 2nwt s TRP 58 CO 0.09 0.68 -0.02 -1.64 -0.00 0.00 0.00 176.95 176.06 2nwt s MET 59 N -1.44 2.48 -0.50 5.86 -1.94 -1.26 -5.08 119.30 117.42 2nwt s MET 59 Ca 0.20 -0.85 -0.22 0.00 -1.71 0.00 0.00 55.69 53.11 2nwt s MET 59 Cb -0.12 -2.50 0.04 0.00 2.01 0.00 0.00 34.83 34.26 2nwt s MET 59 CO 0.11 0.54 0.78 -1.12 -0.01 0.00 0.00 175.02 175.32 2nwt s SER 60 N -2.19 6.33 -0.17 3.03 0.01 -1.26 -4.90 113.70 114.55 2nwt s SER 60 Ca 0.24 -0.41 0.10 0.00 1.31 0.00 0.00 55.95 57.19 2nwt s SER 60 Cb -0.12 -2.37 0.58 0.00 0.21 0.00 0.00 66.02 64.33 2nwt s SER 60 CO 0.16 -1.00 1.39 -1.20 0.41 0.00 0.00 173.24 173.00 2nwt n SER 61 N 6.79 4.35 -0.99 2.44 7.64 -1.26 -5.04 113.62 127.55 2nwt n SER 61 Ca -0.00 -2.65 0.13 0.00 1.01 0.00 0.00 58.87 57.36 2nwt n SER 61 Cb 0.47 -0.63 -0.04 0.00 -1.01 0.00 0.00 64.21 63.00 2nwt n SER 61 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2nwt n LEU 62 N 0.46 -0.54 0.00 -3.43 4.77 -1.26 -5.05 117.00 111.95 2nwt n LEU 62 Ca 0.20 1.22 0.00 0.00 -0.03 0.00 0.00 56.01 57.40 2nwt n LEU 62 Cb 0.92 -3.09 0.00 0.00 -2.33 0.00 0.00 43.42 38.91 2nwt n LEU 62 CO 0.23 -2.37 0.00 -1.84 -1.33 0.00 0.00 177.39 172.08 2nwt n GLU 63 N -3.48 1.75 -4.03 3.23 -0.00 -1.26 -5.13 120.64 111.71 2nwt n GLU 63 Ca -0.01 0.00 -0.32 0.00 -0.00 0.00 0.00 57.16 56.83 2nwt n GLU 63 Cb 0.46 0.00 -0.15 0.00 -0.00 0.00 0.00 31.44 31.75 2nwt n GLU 63 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.13 175.55 2nwt s HIS 64 N -0.88 3.33 -0.21 -1.84 5.65 -1.26 -4.91 115.29 115.17 2nwt s HIS 64 Ca 0.00 -2.33 -0.06 0.00 0.25 0.00 0.00 55.06 52.91 2nwt s HIS 64 Cb 0.00 -2.10 0.02 0.00 -1.18 0.00 0.00 32.58 29.33 2nwt s HIS 64 CO 0.00 -0.88 0.13 0.72 -0.65 0.00 0.00 174.74 174.06 2nwt n HIS 65 N 4.44 -3.81 1.76 3.88 8.25 -1.26 -4.87 115.22 123.62 2nwt n HIS 65 Ca -0.12 2.00 0.10 0.00 -0.26 0.00 0.00 57.72 59.44 2nwt n HIS 65 Cb 0.42 -3.69 0.52 0.00 1.12 0.00 0.00 29.99 28.36 2nwt n HIS 65 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2nwt n HIS 66 N 1.12 0.06 -2.55 4.41 -0.00 -1.26 -4.60 115.22 112.40 2nwt n HIS 66 Ca -0.21 -0.03 -0.41 0.00 0.46 0.00 0.00 57.72 57.53 2nwt n HIS 66 Cb 0.33 0.00 -0.03 0.00 -0.12 0.00 0.00 29.99 30.17 2nwt n HIS 66 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2nwt s HIS 67 N -1.94 2.54 -0.15 1.57 2.46 -1.26 -4.92 115.29 113.60 2nwt s HIS 67 Ca 0.31 -0.90 -0.03 0.00 0.47 0.00 0.00 55.06 54.91 2nwt s HIS 67 Cb 0.15 -4.69 0.05 0.00 -0.13 0.00 0.00 32.58 27.95 2nwt s HIS 67 CO 0.24 -1.92 0.04 -1.58 -2.47 0.00 0.00 174.74 169.05 2nwt s HIS 68 N 5.00 0.71 -0.80 3.88 5.04 -1.26 -5.23 115.29 122.63 2nwt s HIS 68 Ca 0.47 -0.50 0.06 0.00 -1.54 0.00 0.00 55.06 53.56 2nwt s HIS 68 Cb 0.00 -0.87 0.05 0.00 0.04 0.00 0.00 32.58 31.80 2nwt s HIS 68 CO -0.08 -0.49 0.70 -2.39 -2.34 0.00 0.00 174.74 170.15