#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 3.60 0.28 3.17 0.04 -1.26 -4.97 135.00 135.86 2nwt s PRO 2 Ca 0.00 1.14 -0.06 0.00 0.04 0.00 0.00 61.00 62.12 2nwt s PRO 2 Cb 0.00 -4.04 -0.01 0.00 0.04 0.00 0.00 34.50 30.49 2nwt s PRO 2 CO 0.00 -1.53 0.40 -1.59 0.04 0.00 0.00 177.00 174.33 2nwt s LYS 3 N 4.93 1.62 0.00 4.56 -2.85 -1.26 -5.16 119.74 121.58 2nwt s LYS 3 Ca 0.65 -1.53 0.02 0.00 -1.00 0.00 0.00 55.97 54.11 2nwt s LYS 3 Cb -0.17 0.42 -0.03 0.00 -2.06 0.00 0.00 37.83 35.98 2nwt s LYS 3 CO 0.31 -0.65 -0.03 0.96 0.10 0.00 0.00 175.35 176.04 2nwt s ILE 4 N -3.67 3.90 0.05 3.79 -0.00 -1.26 -5.12 121.20 118.89 2nwt s ILE 4 Ca 0.29 -0.69 0.02 0.00 -0.00 0.00 0.00 60.65 60.27 2nwt s ILE 4 Cb 0.01 -2.72 -0.04 0.00 -0.00 0.00 0.00 42.46 39.71 2nwt s ILE 4 CO 0.14 0.38 0.06 -0.63 -0.00 0.00 0.00 174.94 174.89 2nwt s ILE 5 N -1.04 4.44 -0.24 8.37 1.01 -1.26 -5.10 121.20 127.38 2nwt s ILE 5 Ca 0.18 -0.70 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 2nwt s ILE 5 Cb -0.11 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 2nwt s ILE 5 CO 0.09 0.21 0.12 -1.61 0.00 0.00 0.00 174.94 173.75 2nwt s GLU 6 N -2.11 3.90 0.19 2.79 2.02 -1.26 -5.07 118.70 119.16 2nwt s GLU 6 Ca 0.26 -0.36 -0.04 0.00 0.02 0.00 0.00 54.97 54.85 2nwt s GLU 6 Cb -0.12 -3.45 -0.03 0.00 0.10 0.00 0.00 34.13 30.63 2nwt s GLU 6 CO 0.18 -0.04 0.20 0.00 0.02 0.00 0.00 175.26 175.62 2nwt s ALA 7 N 1.29 0.71 -0.06 5.21 0.00 -1.26 -0.33 121.76 127.31 2nwt s ALA 7 Ca 0.06 -1.41 0.02 0.00 0.00 0.00 0.00 51.96 50.63 2nwt s ALA 7 Cb -0.14 1.17 0.01 0.00 0.00 0.00 0.00 23.12 24.16 2nwt s ALA 7 CO 0.05 -0.63 -0.11 0.14 0.00 0.00 0.00 175.76 175.22 2nwt s VAL 8 N -4.09 1.03 0.19 0.00 -7.23 0.15 -4.89 120.40 105.56 2nwt s VAL 8 Ca 0.30 -0.42 -0.32 0.00 -1.81 0.00 0.00 61.98 59.74 2nwt s VAL 8 Cb 0.05 -0.96 -0.12 0.00 0.56 0.00 0.00 36.38 35.92 2nwt s VAL 8 CO 0.08 0.33 1.75 0.00 -0.31 0.00 0.00 175.10 176.96 2nwt n TYR 9 N 3.87 2.72 -3.61 2.82 4.19 -1.26 -0.09 117.16 125.80 2nwt n TYR 9 Ca -0.23 -0.01 -0.26 0.00 3.31 0.00 0.00 57.90 60.71 2nwt n TYR 9 Cb 0.52 -2.69 -0.17 0.00 0.49 0.00 0.00 39.34 37.49 2nwt n TYR 9 CO 0.00 0.00 0.00 -2.00 0.91 0.00 0.00 176.86 175.77 2nwt s GLU 10 N 1.55 0.09 -1.50 2.98 2.12 0.27 -4.86 118.70 119.34 2nwt s GLU 10 Ca 0.77 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.96 2nwt s GLU 10 Cb -0.50 -1.78 0.00 0.00 0.26 0.00 0.00 34.13 32.11 2nwt s GLU 10 CO 0.33 -0.70 0.00 -1.71 -0.54 0.00 0.00 175.26 172.64 2nwt n ASN 11 N 5.27 -4.75 0.00 -1.70 5.15 -1.26 -0.29 115.26 117.68 2nwt n ASN 11 Ca -0.07 0.18 0.00 0.00 -0.60 0.00 0.00 54.58 54.09 2nwt n ASN 11 Cb 0.48 -4.06 0.00 0.00 -0.53 0.00 0.00 39.78 35.67 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 -0.75 2.20 3.87 8.20 0.00 -1.26 -5.10 105.19 112.36 2nwt n GLY 12 Ca -0.19 -0.67 -0.34 0.00 0.00 0.00 0.00 46.02 44.82 2nwt n GLY 12 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nwt s VAL 13 N 0.00 5.10 -0.31 1.61 -7.23 0.60 -4.97 120.40 115.20 2nwt s VAL 13 Ca 0.00 0.42 -0.23 0.00 -1.81 0.00 0.00 61.98 60.36 2nwt s VAL 13 Cb 0.00 -3.64 0.00 0.00 0.56 0.00 0.00 36.38 33.30 2nwt s VAL 13 CO 0.00 0.28 0.78 -0.36 -0.31 0.00 0.00 175.10 175.49 2nwt s PHE 14 N -1.41 3.19 -0.29 2.82 0.08 -1.26 0.93 117.98 122.04 2nwt s PHE 14 Ca 0.33 0.77 -0.09 0.00 0.12 0.00 0.00 56.93 58.06 2nwt s PHE 14 Cb -0.14 -3.24 -0.01 0.00 -0.57 0.00 0.00 43.02 39.06 2nwt s PHE 14 CO 0.18 -0.59 0.13 0.15 -0.10 0.00 0.00 175.22 174.99 2nwt s LYS 15 N 2.97 3.39 1.18 0.44 -0.14 0.87 -4.86 119.74 123.60 2nwt s LYS 15 Ca 0.32 -0.67 -0.13 0.00 -1.36 0.00 0.00 55.97 54.13 2nwt s LYS 15 Cb -0.14 -3.49 0.29 0.00 -1.68 0.00 0.00 37.83 32.81 2nwt s LYS 15 CO 0.13 -0.36 1.01 -0.35 -0.76 0.00 0.00 175.35 175.02 2nwt n PRO 16 N 4.96 -2.50 0.00 -1.68 -0.04 -1.26 0.34 135.00 134.82 2nwt n PRO 16 Ca -0.14 -0.70 0.09 0.00 -0.04 0.00 0.00 63.50 62.71 2nwt n PRO 16 Cb 0.50 -2.17 -0.08 0.00 -0.04 0.00 0.00 33.50 31.70 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 -4.98 1.13 -4.11 1.53 4.32 0.55 -4.70 117.00 110.74 2nwt n LEU 17 Ca 0.03 -0.56 -0.11 0.00 -0.02 0.00 0.00 56.01 55.35 2nwt n LEU 17 Cb 0.54 0.00 -0.08 0.00 -1.62 0.00 0.00 43.42 42.26 2nwt n LEU 17 CO 0.57 0.25 -0.04 0.00 -1.22 0.00 0.00 177.39 176.95 2nwt s GLN 18 N -2.65 1.39 0.14 3.23 0.00 -1.26 -5.10 119.66 115.41 2nwt s GLN 18 Ca 0.09 -1.48 -0.31 0.00 -0.00 0.00 0.00 55.36 53.66 2nwt s GLN 18 Cb 0.15 0.37 -0.10 0.00 0.00 0.00 0.00 33.01 33.42 2nwt s GLN 18 CO 0.71 -0.52 1.64 0.21 0.00 0.00 0.00 175.29 177.33 2nwt s LYS 19 N -4.04 4.19 0.00 9.60 2.47 -1.26 -5.00 119.74 125.70 2nwt s LYS 19 Ca 0.31 2.41 0.03 0.00 -1.56 0.00 0.00 55.97 57.16 2nwt s LYS 19 Cb 0.03 -3.33 -0.01 0.00 -1.46 0.00 0.00 37.83 33.07 2nwt s LYS 19 CO 0.11 -0.69 -0.10 0.54 0.16 0.00 0.00 175.35 175.38 2nwt s VAL 20 N 1.77 0.75 -0.39 4.02 0.11 -1.26 -5.08 120.40 120.32 2nwt s VAL 20 Ca 0.73 -0.51 0.04 0.00 -2.93 0.00 0.00 61.98 59.31 2nwt s VAL 20 Cb -0.44 -0.65 0.16 0.00 -1.53 0.00 0.00 36.38 33.93 2nwt s VAL 20 CO 0.32 0.14 0.41 -0.62 -3.33 0.00 0.00 175.10 172.02 2nwt s ASP 21 N -0.41 0.94 0.00 3.54 2.15 -1.26 -4.89 116.67 116.73 2nwt s ASP 21 Ca 0.02 -1.81 0.16 0.00 0.43 0.00 0.00 52.55 51.36 2nwt s ASP 21 Cb -0.04 0.56 0.15 0.00 -0.30 0.00 0.00 42.92 43.28 2nwt s ASP 21 CO -0.00 -0.22 1.03 0.18 -0.17 0.00 0.00 175.17 175.99 2nwt n LEU 22 N 3.92 2.41 0.00 -1.34 4.77 -1.26 -5.09 117.00 120.41 2nwt n LEU 22 Ca 0.14 -1.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 2nwt n LEU 22 Cb 0.46 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2nwt n LEU 22 CO 0.08 0.45 0.00 0.29 -1.33 0.00 0.00 177.39 176.87 2nwt n LYS 23 N 0.91 0.00 -2.65 3.23 4.01 -1.26 -4.63 118.16 117.77 2nwt n LYS 23 Ca 0.10 0.00 -0.41 0.00 -0.51 0.00 0.00 58.31 57.49 2nwt n LYS 23 Cb 0.41 0.00 -0.04 0.00 -0.51 0.00 0.00 35.03 34.89 2nwt n LYS 23 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2nwt s GLU 24 N -1.80 4.66 -0.99 1.97 8.01 -1.26 -2.81 118.70 126.49 2nwt s GLU 24 Ca 0.00 1.55 -0.11 0.00 0.01 0.00 0.00 54.97 56.41 2nwt s GLU 24 Cb 0.00 -3.34 -0.01 0.00 -4.31 0.00 0.00 34.13 26.46 2nwt s GLU 24 CO 0.00 0.16 0.76 0.41 0.01 0.00 0.00 175.26 176.60 2nwt n GLY 25 N 2.21 -1.13 3.47 -1.39 0.00 -1.26 -5.02 105.19 102.07 2nwt n GLY 25 Ca 0.03 0.50 -0.33 0.00 0.00 0.00 0.00 46.02 46.22 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 -4.94 2.74 -0.31 1.61 2.56 -1.12 -5.09 118.70 114.15 2nwt s GLU 26 Ca 0.29 -0.67 -0.12 0.00 0.00 0.00 0.00 54.97 54.48 2nwt s GLU 26 Cb -0.09 -2.47 -0.03 0.00 2.00 0.00 0.00 34.13 33.54 2nwt s GLU 26 CO 0.83 0.54 0.20 0.50 -0.56 0.00 0.00 175.26 176.77 2nwt s ARG 27 N -0.49 3.71 0.10 4.30 3.52 -1.26 -5.02 118.95 123.81 2nwt s ARG 27 Ca 0.07 -0.49 0.02 0.00 -0.13 0.00 0.00 55.73 55.20 2nwt s ARG 27 Cb -0.12 -3.70 -0.04 0.00 -1.56 0.00 0.00 34.95 29.53 2nwt s ARG 27 CO 0.02 -0.31 -0.08 0.14 -0.81 0.00 0.00 175.30 174.26 2nwt s VAL 28 N 1.73 0.78 -0.03 7.11 -7.23 -1.26 -5.15 120.40 116.34 2nwt s VAL 28 Ca 0.06 -1.80 0.07 0.00 -1.81 0.00 0.00 61.98 58.50 2nwt s VAL 28 Cb -0.17 -1.53 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 2nwt s VAL 28 CO 0.10 -0.75 -0.24 -0.54 -0.31 0.00 0.00 175.10 173.36 2nwt s LYS 29 N -3.39 2.16 0.07 4.82 1.02 -1.26 -5.12 119.74 118.03 2nwt s LYS 29 Ca 0.09 -0.88 0.02 0.00 0.02 0.00 0.00 55.97 55.22 2nwt s LYS 29 Cb 0.02 -1.99 -0.04 0.00 -0.52 0.00 0.00 37.83 35.30 2nwt s LYS 29 CO -0.03 0.47 0.12 0.42 -0.92 0.00 0.00 175.35 175.42 2nwt s ILE 30 N -0.43 4.83 0.17 2.17 -1.09 -1.26 -5.09 121.20 120.50 2nwt s ILE 30 Ca 0.05 -0.61 -0.19 0.00 -2.23 0.00 0.00 60.65 57.67 2nwt s ILE 30 Cb -0.11 -3.33 0.04 0.00 -1.58 0.00 0.00 42.46 37.48 2nwt s ILE 30 CO 0.01 0.15 0.51 -1.59 -1.23 0.00 0.00 174.94 172.79 2nwt s LYS 31 N -2.37 1.28 -0.31 2.79 -2.85 -1.26 -5.13 119.74 111.88 2nwt s LYS 31 Ca 0.31 -0.73 -0.16 0.00 -1.00 0.00 0.00 55.97 54.39 2nwt s LYS 31 Cb -0.12 0.53 -0.02 0.00 -2.06 0.00 0.00 37.83 36.15 2nwt s LYS 31 CO 0.23 -0.54 0.42 -0.51 0.10 0.00 0.00 175.35 175.06 2nwt s LEU 32 N -2.82 4.25 -0.05 2.77 1.43 -1.26 -5.02 118.68 117.97 2nwt s LEU 32 Ca 0.05 0.06 -0.22 0.00 -1.03 0.00 0.00 54.13 53.00 2nwt s LEU 32 Cb -0.00 -2.47 -0.04 0.00 0.03 0.00 0.00 46.19 43.70 2nwt s LEU 32 CO -0.08 -0.33 0.63 -1.61 0.23 0.00 0.00 176.35 175.19 2nwt s GLU 33 N 2.18 4.38 0.00 1.70 0.41 -1.26 -5.00 118.70 121.10 2nwt s GLU 33 Ca 0.16 0.76 0.00 0.00 -0.41 0.00 0.00 54.97 55.48 2nwt s GLU 33 Cb -0.16 -3.40 0.00 0.00 -1.78 0.00 0.00 34.13 28.79 2nwt s GLU 33 CO 0.11 0.20 0.00 1.47 -0.49 0.00 0.00 175.26 176.56 2nwt n LEU 34 N 3.32 0.00 -4.69 1.80 -0.00 -1.26 -5.19 117.00 110.98 2nwt n LEU 34 Ca -0.04 0.00 -0.28 0.00 -0.00 0.00 0.00 56.01 55.69 2nwt n LEU 34 Cb 0.51 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.84 2nwt n LEU 34 CO 0.45 0.00 -0.23 -0.54 -0.00 0.00 0.00 177.39 177.07 2nwt s LYS 35 N -1.13 2.09 0.01 1.47 1.02 -1.26 -5.11 119.74 116.83 2nwt s LYS 35 Ca 0.00 -2.07 -0.30 0.00 0.02 0.00 0.00 55.97 53.62 2nwt s LYS 35 Cb 0.00 -1.75 -0.03 0.00 -0.52 0.00 0.00 37.83 35.53 2nwt s LYS 35 CO 0.00 -0.15 1.00 0.08 -0.92 0.00 0.00 175.35 175.37 2nwt s VAL 36 N -2.71 4.77 -0.06 3.17 1.01 -1.26 -5.03 120.40 120.29 2nwt s VAL 36 Ca 0.32 2.00 -0.13 0.00 0.00 0.00 0.00 61.98 64.16 2nwt s VAL 36 Cb 0.06 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.11 2nwt s VAL 36 CO 0.17 0.16 0.34 -1.83 0.00 0.00 0.00 175.10 173.94 2nwt s GLU 37 N 0.98 3.94 0.90 2.72 1.03 -1.26 -5.09 118.70 121.91 2nwt s GLU 37 Ca 0.53 0.26 -0.13 0.00 0.03 0.00 0.00 54.97 55.65 2nwt s GLU 37 Cb -0.22 -3.27 0.18 0.00 -0.80 0.00 0.00 34.13 30.01 2nwt s GLU 37 CO 0.28 0.57 1.25 -1.25 -1.33 0.00 0.00 175.26 174.78 2nwt s PRO 38 N -0.62 0.94 0.24 -4.83 0.04 -1.26 -5.08 135.00 124.43 2nwt s PRO 38 Ca 0.21 -0.51 -0.15 0.00 0.04 0.00 0.00 61.00 60.59 2nwt s PRO 38 Cb -0.15 -1.95 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 2nwt s PRO 38 CO 0.10 -2.17 0.65 0.96 0.04 0.00 0.00 177.00 176.58 2nwt s ILE 39 N -3.72 4.74 0.48 0.56 -5.25 -1.26 -5.09 121.20 111.66 2nwt s ILE 39 Ca 0.72 0.91 0.07 0.00 -0.99 0.00 0.00 60.65 61.36 2nwt s ILE 39 Cb -0.05 -3.71 0.03 0.00 2.95 0.00 0.00 42.46 41.69 2nwt s ILE 39 CO 0.51 0.04 0.65 1.51 -1.79 0.00 0.00 174.94 175.86 2nwt s ASP 40 N -2.00 5.46 -0.18 4.36 -4.77 -1.26 -5.10 116.67 113.18 2nwt s ASP 40 Ca 0.46 -0.47 -0.11 0.00 -3.30 0.00 0.00 52.55 49.13 2nwt s ASP 40 Cb -0.13 -0.46 -0.05 0.00 -1.09 0.00 0.00 42.92 41.19 2nwt s ASP 40 CO 0.19 -0.96 0.19 -1.48 0.70 0.00 0.00 175.17 173.82 2nwt s LEU 41 N -4.49 4.23 0.00 2.11 2.34 -1.26 -5.09 118.68 116.53 2nwt s LEU 41 Ca 0.57 0.35 0.00 0.00 0.06 0.00 0.00 54.13 55.11 2nwt s LEU 41 Cb -0.09 -2.20 0.00 0.00 -0.56 0.00 0.00 46.19 43.34 2nwt s LEU 41 CO 0.35 0.16 0.00 0.61 -1.06 0.00 0.00 176.35 176.41 2nwt n GLY 42 N 3.39 0.45 3.38 -3.48 0.00 -1.26 -5.10 105.19 102.57 2nwt n GLY 42 Ca -0.15 -1.62 -0.25 0.00 0.00 0.00 0.00 46.02 44.00 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 0.60 1.40 0.53 1.61 -1.05 -1.26 -5.15 118.70 115.38 2nwt s GLU 43 Ca 0.00 -1.44 0.03 0.00 -0.15 0.00 0.00 54.97 53.41 2nwt s GLU 43 Cb 0.00 -1.67 0.04 0.00 -0.44 0.00 0.00 34.13 32.06 2nwt s GLU 43 CO 0.00 0.36 0.74 -1.25 0.95 0.00 0.00 175.26 176.06 2nwt s PRO 44 N -2.57 2.54 0.11 -4.83 0.04 -1.26 -5.13 135.00 123.90 2nwt s PRO 44 Ca 0.17 -0.98 0.10 0.00 0.04 0.00 0.00 61.00 60.33 2nwt s PRO 44 Cb -0.08 -2.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 2nwt s PRO 44 CO 0.08 -0.66 -0.24 0.54 0.04 0.00 0.00 177.00 176.76 2nwt s VAL 45 N -2.67 2.44 0.47 -0.36 0.11 -1.26 -5.15 120.40 113.98 2nwt s VAL 45 Ca 0.58 -1.60 0.03 0.00 -2.93 0.00 0.00 61.98 58.05 2nwt s VAL 45 Cb -0.10 -2.07 -0.03 0.00 -1.53 0.00 0.00 36.38 32.65 2nwt s VAL 45 CO 0.37 0.15 0.01 -0.44 -3.33 0.00 0.00 175.10 171.86 2nwt s SER 46 N -1.94 3.94 0.48 3.54 0.01 -1.26 -5.01 113.70 113.47 2nwt s SER 46 Ca 0.15 -1.57 0.00 0.00 1.31 0.00 0.00 55.95 55.83 2nwt s SER 46 Cb -0.10 0.26 0.00 0.00 0.21 0.00 0.00 66.02 66.39 2nwt s SER 46 CO 0.07 -0.74 0.00 0.55 0.41 0.00 0.00 173.24 173.52 2nwt n VAL 47 N -1.15 -1.65 0.00 3.43 3.14 -1.26 -4.71 118.33 116.13 2nwt n VAL 47 Ca -0.14 0.99 0.00 0.00 -2.96 0.00 0.00 64.34 62.23 2nwt n VAL 47 Cb 0.67 -1.59 0.00 0.00 -1.06 0.00 0.00 33.84 31.85 2nwt n VAL 47 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2nwt n GLU 48 N -3.03 0.00 0.19 1.45 -0.58 -1.26 -4.38 120.64 113.04 2nwt n GLU 48 Ca -0.03 0.00 0.06 0.00 -0.42 0.00 0.00 57.16 56.77 2nwt n GLU 48 Cb 0.46 -0.68 0.36 0.00 -0.57 0.00 0.00 31.44 31.00 2nwt n GLU 48 CO 0.00 0.00 0.00 1.49 -0.48 0.00 0.00 177.13 178.14 2nwt h GLU 49 N 0.00 0.00 -0.01 3.49 4.57 -1.95 -2.45 114.58 118.23 2nwt h GLU 49 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2nwt h GLU 49 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2nwt h GLU 49 CO 0.00 0.35 -0.24 -0.89 -1.18 0.00 0.00 179.01 177.06 2nwt n ILE 50 N -3.54 0.00 -2.94 2.32 2.08 -1.26 -4.89 119.36 111.12 2nwt n ILE 50 Ca -0.00 -0.14 -0.20 0.00 0.56 0.00 0.00 62.75 62.97 2nwt n ILE 50 Cb 0.49 0.41 0.06 0.00 -0.75 0.00 0.00 39.64 39.85 2nwt n ILE 50 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2nwt s LYS 51 N -2.46 2.29 -0.12 0.38 2.20 -0.92 -4.86 119.74 116.26 2nwt s LYS 51 Ca 0.25 -1.46 -0.08 0.00 -0.36 0.00 0.00 55.97 54.33 2nwt s LYS 51 Cb 0.19 -2.61 0.03 0.00 -1.51 0.00 0.00 37.83 33.94 2nwt s LYS 51 CO 0.50 -0.86 0.17 1.63 -0.36 0.00 0.00 175.35 176.43 2nwt n LYS 52 N -2.28 -4.49 -4.13 4.03 4.01 -1.26 -4.98 118.16 109.06 2nwt n LYS 52 Ca 0.14 3.37 -0.31 0.00 -0.51 0.00 0.00 58.31 61.00 2nwt n LYS 52 Cb 0.61 -4.70 -0.08 0.00 -0.51 0.00 0.00 35.03 30.35 2nwt n LYS 52 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 2nwt s ILE 53 N -0.60 4.23 0.05 -0.18 2.07 -1.26 -5.06 121.20 120.44 2nwt s ILE 53 Ca -0.19 -0.83 -0.35 0.00 -1.41 0.00 0.00 60.65 57.87 2nwt s ILE 53 Cb 0.01 -3.00 -0.14 0.00 0.13 0.00 0.00 42.46 39.47 2nwt s ILE 53 CO 0.52 0.17 1.63 -2.11 -1.91 0.00 0.00 174.94 173.24 2nwt n ARG 54 N 0.70 1.89 -3.02 3.50 1.85 -1.26 -4.95 116.66 115.37 2nwt n ARG 54 Ca -0.11 0.69 -0.33 0.00 -1.00 0.00 0.00 57.85 57.10 2nwt n ARG 54 Cb 0.52 -2.44 -0.06 0.00 -1.05 0.00 0.00 32.46 29.42 2nwt n ARG 54 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2nwt s ASP 55 N 1.86 6.89 -0.03 2.89 -1.08 -1.26 -4.97 116.67 120.96 2nwt s ASP 55 Ca 0.85 1.44 0.17 0.00 -0.52 0.00 0.00 52.55 54.50 2nwt s ASP 55 Cb -0.77 -2.44 0.30 0.00 -1.46 0.00 0.00 42.92 38.56 2nwt s ASP 55 CO 0.45 -0.21 1.13 0.61 0.52 0.00 0.00 175.17 177.67 2nwt n GLY 56 N -0.26 0.94 3.67 2.66 0.00 -1.26 -5.09 105.19 105.84 2nwt n GLY 56 Ca 0.04 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 2nwt n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2nwt s THR 57 N -0.27 3.34 0.00 2.61 -4.23 -1.26 -4.97 115.64 110.86 2nwt s THR 57 Ca 0.22 0.52 -0.22 0.00 -1.18 0.00 0.00 61.69 61.03 2nwt s THR 57 Cb 0.27 -3.34 -0.05 0.00 1.34 0.00 0.00 72.50 70.72 2nwt s THR 57 CO -0.11 -0.03 0.66 0.86 -0.54 0.00 0.00 174.62 175.46 2nwt s TRP 58 N 3.75 3.68 0.08 3.99 -0.00 -1.26 -5.00 118.94 124.19 2nwt s TRP 58 Ca 0.76 1.28 -0.31 0.00 -0.00 0.00 0.00 56.10 57.84 2nwt s TRP 58 Cb -0.37 -2.70 -0.09 0.00 -0.00 0.00 0.00 33.47 30.32 2nwt s TRP 58 CO 0.32 0.29 1.74 1.41 -0.00 0.00 0.00 176.95 180.72 2nwt s MET 59 N -0.01 4.17 -0.43 5.86 -2.45 -1.26 -4.91 119.30 120.26 2nwt s MET 59 Ca 0.34 2.45 -0.28 0.00 -1.25 0.00 0.00 55.69 56.95 2nwt s MET 59 Cb -0.19 -3.65 -0.00 0.00 1.25 0.00 0.00 34.83 32.24 2nwt s MET 59 CO 0.19 -0.80 1.58 -1.12 1.05 0.00 0.00 175.02 175.93 2nwt s SER 60 N 2.70 6.04 -0.09 1.11 0.01 -1.26 -4.85 113.70 117.36 2nwt s SER 60 Ca 0.78 0.84 0.12 0.00 1.31 0.00 0.00 55.95 59.00 2nwt s SER 60 Cb -0.42 -2.54 0.51 0.00 0.21 0.00 0.00 66.02 63.78 2nwt s SER 60 CO 0.34 -1.67 1.35 -0.24 0.41 0.00 0.00 173.24 173.44 2nwt n SER 61 N 9.83 3.56 -4.55 2.44 2.88 -1.26 -4.83 113.62 121.70 2nwt n SER 61 Ca 0.18 -2.37 -0.35 0.00 -1.33 0.00 0.00 58.87 55.00 2nwt n SER 61 Cb 0.48 -0.51 -0.04 0.00 -0.75 0.00 0.00 64.21 63.40 2nwt n SER 61 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 2nwt s LEU 62 N -1.50 3.26 0.00 2.46 0.20 -1.26 -4.92 118.68 116.92 2nwt s LEU 62 Ca 0.35 0.09 0.00 0.00 0.69 0.00 0.00 54.13 55.26 2nwt s LEU 62 Cb 0.24 -2.54 0.00 0.00 -0.43 0.00 0.00 46.19 43.46 2nwt s LEU 62 CO 0.16 -2.47 0.03 -1.84 -0.29 0.00 0.00 176.35 171.93 2nwt n GLU 63 N 9.11 1.33 -3.88 1.98 -0.00 -1.26 -5.14 120.64 122.77 2nwt n GLU 63 Ca 0.25 -1.87 -0.27 0.00 -0.00 0.00 0.00 57.16 55.27 2nwt n GLU 63 Cb 0.51 0.46 -0.17 0.00 -0.00 0.00 0.00 31.44 32.24 2nwt n GLU 63 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2nwt s HIS 64 N -1.85 1.54 -0.84 -1.84 3.76 -1.26 -5.07 115.29 109.74 2nwt s HIS 64 Ca 0.02 -0.93 -0.25 0.00 -0.15 0.00 0.00 55.06 53.76 2nwt s HIS 64 Cb -0.00 -1.25 -0.04 0.00 1.11 0.00 0.00 32.58 32.40 2nwt s HIS 64 CO 0.02 -0.57 1.93 -1.01 -0.85 0.00 0.00 174.74 174.25 2nwt s HIS 65 N 1.69 1.77 -2.57 1.40 3.76 -1.26 -4.75 115.29 115.33 2nwt s HIS 65 Ca 0.02 0.67 0.24 0.00 -0.15 0.00 0.00 55.06 55.83 2nwt s HIS 65 Cb -0.14 -4.05 0.40 0.00 1.11 0.00 0.00 32.58 29.89 2nwt s HIS 65 CO -0.08 -1.86 1.39 1.58 -0.85 0.00 0.00 174.74 174.92 2nwt n HIS 66 N 13.74 0.42 -3.45 1.40 -0.00 -1.26 -4.77 115.22 121.30 2nwt n HIS 66 Ca 0.36 -0.21 -0.43 0.00 0.46 0.00 0.00 57.72 57.90 2nwt n HIS 66 Cb 0.48 0.00 -0.06 0.00 -0.12 0.00 0.00 29.99 30.29 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 -1.58 3.45 -0.30 1.57 5.04 -1.26 -4.96 115.29 117.25 2nwt s HIS 67 Ca 0.37 -1.82 -0.17 0.00 -1.54 0.00 0.00 55.06 51.90 2nwt s HIS 67 Cb 0.22 -3.63 0.19 0.00 0.04 0.00 0.00 32.58 29.41 2nwt s HIS 67 CO 0.32 -0.99 1.18 -1.58 -2.34 0.00 0.00 174.74 171.33 2nwt s HIS 68 N 1.02 -0.28 -2.76 3.88 5.04 -1.26 -5.29 115.29 115.64 2nwt s HIS 68 Ca 0.09 0.50 0.26 0.00 -1.54 0.00 0.00 55.06 54.37 2nwt s HIS 68 Cb -0.23 0.17 0.60 0.00 0.04 0.00 0.00 32.58 33.15 2nwt s HIS 68 CO -0.02 -0.14 1.49 1.58 -2.34 0.00 0.00 174.74 175.32