#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wwl n ILE 4 N 0.00 1.58 -1.59 3.15 2.08 -1.26 -4.94 119.36 118.38 2wwl n ILE 4 Ca 0.00 -1.73 -0.00 0.00 0.56 0.00 0.00 62.75 61.58 2wwl n ILE 4 Cb 0.00 0.05 0.00 0.00 -0.75 0.00 0.00 39.64 38.94 2wwl n ILE 4 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 2wwl n ARG 5 N -0.91 -0.10 -3.48 0.38 3.00 -1.26 -1.87 116.66 112.42 2wwl n ARG 5 Ca 0.11 0.25 -0.37 0.00 -0.00 0.00 0.00 57.85 57.84 2wwl n ARG 5 Cb 0.52 -1.73 -0.07 0.00 0.00 0.00 0.00 32.46 31.18 2wwl n ARG 5 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2wwl s THR 6 N -3.01 5.27 -0.14 5.15 -4.23 -1.26 -3.86 115.64 113.56 2wwl s THR 6 Ca 0.01 0.64 0.00 0.00 -1.18 0.00 0.00 61.69 61.17 2wwl s THR 6 Cb -0.00 -3.68 0.02 0.00 1.34 0.00 0.00 72.50 70.18 2wwl s THR 6 CO 0.04 0.36 -0.14 -0.22 -0.54 0.00 0.00 174.62 174.12 2wwl s LEU 7 N 0.59 1.67 -0.79 4.79 1.98 -1.07 -5.01 118.68 120.83 2wwl s LEU 7 Ca 0.18 -0.47 -0.25 0.00 -2.89 0.00 0.00 54.13 50.70 2wwl s LEU 7 Cb -0.14 -1.16 0.04 0.00 0.66 0.00 0.00 46.19 45.60 2wwl s LEU 7 CO 0.05 -0.05 1.26 -1.10 -1.89 0.00 0.00 176.35 174.62 2wwl s GLN 8 N 1.44 3.27 0.49 1.98 -0.21 -1.26 -2.27 119.66 123.10 2wwl s GLN 8 Ca 0.04 -0.56 0.04 0.00 0.02 0.00 0.00 55.36 54.90 2wwl s GLN 8 Cb -0.13 -4.45 -0.02 0.00 1.00 0.00 0.00 33.01 29.41 2wwl s GLN 8 CO -0.10 -2.10 0.13 0.20 -2.12 0.00 0.00 175.29 171.30 2wwl s GLY 9 N 3.98 2.68 -0.11 3.09 0.00 -1.02 -4.92 107.32 111.01 2wwl s GLY 9 Ca 0.35 -1.18 -0.02 0.00 0.00 0.00 0.00 44.72 43.87 2wwl s GLY 9 CO 0.08 -2.07 0.02 -1.60 0.00 0.00 0.00 173.10 169.53 2wwl s ARG 10 N -3.95 0.58 0.66 2.90 3.52 -0.88 -1.25 118.95 120.53 2wwl s ARG 10 Ca 0.23 -0.06 -0.17 0.00 -0.13 0.00 0.00 55.73 55.59 2wwl s ARG 10 Cb 0.02 -1.37 -0.12 0.00 -1.56 0.00 0.00 34.95 31.93 2wwl s ARG 10 CO 0.13 -0.43 -0.04 0.28 -0.81 0.00 0.00 175.30 174.43 2wwl n VAL 11 N 5.13 0.62 -1.95 7.11 0.31 -0.84 -1.03 118.33 127.68 2wwl n VAL 11 Ca -0.08 -0.48 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 2wwl n VAL 11 Cb 0.49 -0.24 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 2wwl n VAL 11 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 2wwl n VAL 12 N -1.92 0.00 -3.13 2.52 3.14 -1.06 -2.88 118.33 115.01 2wwl n VAL 12 Ca 0.07 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.49 2wwl n VAL 12 Cb 0.49 0.05 -0.00 0.00 -1.06 0.00 0.00 33.84 33.33 2wwl n VAL 12 CO 0.00 0.00 0.00 -0.44 -6.46 0.00 0.00 176.83 169.93 2wwl s SER 13 N -0.01 -0.90 -0.65 6.55 0.01 -1.19 -4.96 113.70 112.55 2wwl s SER 13 Ca 0.00 0.04 0.00 0.00 1.31 0.00 0.00 55.95 57.30 2wwl s SER 13 Cb 0.00 1.52 0.16 0.00 0.21 0.00 0.00 66.02 67.91 2wwl s SER 13 CO 0.00 -0.16 0.45 -1.81 0.41 0.00 0.00 173.24 172.13 2wwl s ASP 14 N 2.78 5.05 0.00 2.44 1.11 -1.26 -3.25 116.67 123.55 2wwl s ASP 14 Ca 0.20 -3.15 0.00 0.00 0.18 0.00 0.00 52.55 49.78 2wwl s ASP 14 Cb -0.04 -1.78 0.00 0.00 1.07 0.00 0.00 42.92 42.16 2wwl s ASP 14 CO -0.23 -0.27 0.62 0.29 1.18 0.00 0.00 175.17 176.77 2wwl n LYS 15 N 3.03 0.89 -4.30 8.23 4.76 -1.26 -5.03 118.16 124.48 2wwl n LYS 15 Ca 0.11 -0.82 -0.16 0.00 -2.87 0.00 0.00 58.31 54.57 2wwl n LYS 15 Cb 0.36 -0.83 -0.10 0.00 -1.84 0.00 0.00 35.03 32.61 2wwl n LYS 15 CO 0.00 0.00 0.00 -1.64 -1.37 0.00 0.00 177.40 174.39 2wwl s MET 16 N -0.39 1.37 -0.12 1.97 -1.94 -1.26 -5.13 119.30 113.80 2wwl s MET 16 Ca 0.00 -1.73 -0.01 0.00 -1.71 0.00 0.00 55.69 52.24 2wwl s MET 16 Cb 0.00 -0.23 -0.02 0.00 2.01 0.00 0.00 34.83 36.59 2wwl s MET 16 CO 0.00 -0.28 -0.10 -2.00 -0.01 0.00 0.00 175.02 172.63 2wwl s GLU 17 N -4.03 3.29 0.00 2.03 2.12 -1.26 -4.39 118.70 116.46 2wwl s GLU 17 Ca 0.37 -0.62 0.00 0.00 0.36 0.00 0.00 54.97 55.08 2wwl s GLU 17 Cb 0.08 -2.68 0.00 0.00 0.26 0.00 0.00 34.13 31.78 2wwl s GLU 17 CO 0.13 0.33 0.00 1.63 -0.54 0.00 0.00 175.26 176.80 2wwl n LYS 18 N 3.22 -0.45 -3.79 4.30 5.02 -1.25 -4.95 118.16 120.26 2wwl n LYS 18 Ca -0.18 0.11 -0.14 0.00 -2.02 0.00 0.00 58.31 56.08 2wwl n LYS 18 Cb 0.53 -3.62 -0.15 0.00 -0.02 0.00 0.00 35.03 31.76 2wwl n LYS 18 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2wwl s SER 19 N -2.27 0.03 -0.10 4.39 0.01 -1.26 -1.36 113.70 113.14 2wwl s SER 19 Ca 0.00 0.07 -0.04 0.00 1.31 0.00 0.00 55.95 57.29 2wwl s SER 19 Cb 0.00 -0.01 0.05 0.00 0.21 0.00 0.00 66.02 66.27 2wwl s SER 19 CO 0.00 -0.11 0.22 -0.63 0.41 0.00 0.00 173.24 173.13 2wwl s ILE 20 N 0.86 -0.15 -0.19 1.44 1.01 -1.14 -4.11 121.20 118.92 2wwl s ILE 20 Ca -0.07 0.21 -0.23 0.00 0.00 0.00 0.00 60.65 60.56 2wwl s ILE 20 Cb -0.10 -0.35 -0.02 0.00 0.01 0.00 0.00 42.46 42.00 2wwl s ILE 20 CO -0.03 0.09 0.74 -0.69 0.00 0.00 0.00 174.94 175.05 2wwl s VAL 21 N 1.61 4.93 0.10 2.92 1.01 -1.20 -2.53 120.40 127.25 2wwl s VAL 21 Ca -0.06 1.42 0.08 0.00 0.00 0.00 0.00 61.98 63.43 2wwl s VAL 21 Cb -0.11 -4.05 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 2wwl s VAL 21 CO -0.08 0.05 -0.17 -0.69 0.00 0.00 0.00 175.10 174.21 2wwl s VAL 22 N 2.16 2.92 -0.10 2.92 1.01 -0.83 -2.56 120.40 125.93 2wwl s VAL 22 Ca 0.33 -1.40 0.04 0.00 0.00 0.00 0.00 61.98 60.96 2wwl s VAL 22 Cb -0.16 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.90 2wwl s VAL 22 CO 0.11 0.15 -0.24 0.00 0.00 0.00 0.00 175.10 175.12 2wwl s ALA 23 N -1.11 2.16 0.14 5.51 0.00 -0.19 -1.32 121.76 126.95 2wwl s ALA 23 Ca 0.18 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.18 2wwl s ALA 23 Cb -0.11 -0.82 -0.04 0.00 0.00 0.00 0.00 23.12 22.15 2wwl s ALA 23 CO 0.10 0.26 -0.00 0.96 0.00 0.00 0.00 175.76 177.07 2wwl s ILE 24 N 0.39 0.54 0.03 0.00 -4.36 -0.74 -2.06 121.20 115.00 2wwl s ILE 24 Ca -0.18 -1.95 -0.00 0.00 -0.26 0.00 0.00 60.65 58.26 2wwl s ILE 24 Cb -0.18 -1.98 -0.03 0.00 1.25 0.00 0.00 42.46 41.53 2wwl s ILE 24 CO 0.08 -0.59 -0.03 -1.83 0.24 0.00 0.00 174.94 172.81 2wwl s GLU 25 N -3.92 0.42 0.17 0.37 4.04 -1.26 -0.98 118.70 117.53 2wwl s GLU 25 Ca 0.20 -0.84 0.10 0.00 0.04 0.00 0.00 54.97 54.48 2wwl s GLU 25 Cb 0.06 0.15 -0.04 0.00 0.02 0.00 0.00 34.13 34.32 2wwl s GLU 25 CO 0.01 -0.07 -0.23 -0.98 -1.84 0.00 0.00 175.26 172.15 2wwl s ARG 26 N -2.38 1.42 -0.62 -4.83 1.70 -1.21 -4.97 118.95 108.06 2wwl s ARG 26 Ca -0.07 -1.45 -0.27 0.00 -0.47 0.00 0.00 55.73 53.47 2wwl s ARG 26 Cb -0.03 -1.71 -0.00 0.00 -0.57 0.00 0.00 34.95 32.64 2wwl s ARG 26 CO -0.04 0.37 1.65 -0.06 -1.08 0.00 0.00 175.30 176.14 2wwl s PHE 27 N -1.63 1.92 -0.09 5.89 0.40 -1.26 -3.24 117.98 119.97 2wwl s PHE 27 Ca 0.18 0.53 -0.14 0.00 -0.60 0.00 0.00 56.93 56.90 2wwl s PHE 27 Cb -0.08 -4.27 -0.05 0.00 0.51 0.00 0.00 43.02 39.13 2wwl s PHE 27 CO 0.08 -2.23 0.33 0.08 0.70 0.00 0.00 175.22 174.18 2wwl s VAL 28 N 7.66 5.22 0.10 -0.44 1.01 -0.27 -4.83 120.40 128.86 2wwl s VAL 28 Ca 0.58 0.65 0.03 0.00 0.00 0.00 0.00 61.98 63.23 2wwl s VAL 28 Cb -0.12 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2wwl s VAL 28 CO 0.21 0.48 0.15 -0.75 0.00 0.00 0.00 175.10 175.19 2wwl s LYS 29 N -0.29 3.09 -0.03 2.72 2.20 -1.26 -1.01 119.74 125.16 2wwl s LYS 29 Ca 0.20 -0.65 0.01 0.00 -0.36 0.00 0.00 55.97 55.16 2wwl s LYS 29 Cb -0.14 -2.82 -0.03 0.00 -1.51 0.00 0.00 37.83 33.33 2wwl s LYS 29 CO 0.08 0.56 -0.02 -1.01 -0.36 0.00 0.00 175.35 174.60 2wwl s HIS 30 N -1.53 3.05 -2.56 4.03 3.76 -1.05 -4.94 115.29 116.05 2wwl s HIS 30 Ca 0.32 0.08 0.26 0.00 -0.15 0.00 0.00 55.06 55.57 2wwl s HIS 30 Cb -0.12 -1.70 0.62 0.00 1.11 0.00 0.00 32.58 32.49 2wwl s HIS 30 CO 0.24 0.43 1.49 -0.35 -0.85 0.00 0.00 174.74 175.71 2wwl n PRO 31 N 1.75 1.78 0.00 8.40 -0.04 -1.26 -1.23 135.00 144.41 2wwl n PRO 31 Ca -0.16 -1.27 0.00 0.00 -0.04 0.00 0.00 63.50 62.03 2wwl n PRO 31 Cb 0.53 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2wwl n PRO 31 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2wwl n ILE 32 N 0.50 0.00 0.20 0.52 -5.35 -1.26 -4.45 119.36 109.52 2wwl n ILE 32 Ca 0.16 -0.44 0.02 0.00 -0.27 0.00 0.00 62.75 62.21 2wwl n ILE 32 Cb 0.45 1.02 -0.02 0.00 -1.74 0.00 0.00 39.64 39.35 2wwl n ILE 32 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 2wwl n TYR 33 N -0.73 0.00 -2.11 4.28 4.01 -1.24 -5.04 117.16 116.32 2wwl n TYR 33 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.57 2wwl n TYR 33 Cb 0.01 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.01 2wwl n TYR 33 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2wwl n GLY 34 N 1.07 0.19 3.36 2.72 0.00 -0.36 -4.95 105.19 107.22 2wwl n GLY 34 Ca 0.01 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 2wwl n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wwl s LYS 35 N -4.48 0.78 0.70 1.61 2.20 -1.21 -4.95 119.74 114.39 2wwl s LYS 35 Ca 0.00 0.14 -0.16 0.00 -0.36 0.00 0.00 55.97 55.58 2wwl s LYS 35 Cb 0.00 0.36 0.02 0.00 -1.51 0.00 0.00 37.83 36.70 2wwl s LYS 35 CO 0.00 -0.21 1.23 -0.06 -0.36 0.00 0.00 175.35 175.95 2wwl s PHE 36 N -0.96 2.08 0.25 4.03 0.08 -1.26 -2.52 117.98 119.69 2wwl s PHE 36 Ca -0.10 1.56 -0.14 0.00 0.12 0.00 0.00 56.93 58.37 2wwl s PHE 36 Cb -0.03 -3.53 -0.00 0.00 -0.57 0.00 0.00 43.02 38.88 2wwl s PHE 36 CO 0.05 -2.66 0.51 0.96 -0.10 0.00 0.00 175.22 173.98 2wwl s ILE 37 N -1.79 0.00 -0.30 0.64 -5.25 -0.18 -4.93 121.20 109.39 2wwl s ILE 37 Ca 0.77 -1.35 -0.17 0.00 -0.99 0.00 0.00 60.65 58.91 2wwl s ILE 37 Cb -0.31 -2.18 -0.02 0.00 2.95 0.00 0.00 42.46 42.90 2wwl s ILE 37 CO 0.43 0.00 0.47 -0.54 -1.79 0.00 0.00 174.94 173.51 2wwl s LYS 38 N -4.00 3.88 -0.33 0.37 1.02 -1.26 -1.11 119.74 118.32 2wwl s LYS 38 Ca 0.21 0.06 0.04 0.00 0.02 0.00 0.00 55.97 56.29 2wwl s LYS 38 Cb -0.01 -3.71 0.09 0.00 -0.52 0.00 0.00 37.83 33.68 2wwl s LYS 38 CO 0.09 -0.44 0.03 0.50 -0.92 0.00 0.00 175.35 174.61 2wwl s ARG 39 N 2.27 1.57 -0.10 1.68 6.06 -1.20 -4.97 118.95 124.26 2wwl s ARG 39 Ca 0.18 -1.76 -0.09 0.00 -2.50 0.00 0.00 55.73 51.56 2wwl s ARG 39 Cb -0.16 -3.11 -0.04 0.00 0.06 0.00 0.00 34.95 31.70 2wwl s ARG 39 CO 0.11 -0.88 0.21 0.99 -2.50 0.00 0.00 175.30 173.22 2wwl s THR 40 N 0.96 5.39 -0.04 4.11 2.01 -1.26 -3.29 115.64 123.52 2wwl s THR 40 Ca 0.08 0.37 -0.02 0.00 0.31 0.00 0.00 61.69 62.43 2wwl s THR 40 Cb -0.19 -3.48 0.03 0.00 0.01 0.00 0.00 72.50 68.87 2wwl s THR 40 CO -0.08 0.60 0.06 -0.89 -0.69 0.00 0.00 174.62 173.61 2wwl s THR 41 N -0.94 -0.10 0.33 -0.82 2.01 -0.16 -4.99 115.64 110.98 2wwl s THR 41 Ca 0.17 0.40 -0.26 0.00 0.31 0.00 0.00 61.69 62.31 2wwl s THR 41 Cb -0.13 -0.15 -0.10 0.00 0.01 0.00 0.00 72.50 72.14 2wwl s THR 41 CO 0.06 0.17 0.96 -0.54 -0.69 0.00 0.00 174.62 174.58 2wwl s LYS 42 N 2.03 4.55 0.18 4.92 1.02 -1.26 -1.78 119.74 129.38 2wwl s LYS 42 Ca 0.03 1.37 0.01 0.00 0.02 0.00 0.00 55.97 57.40 2wwl s LYS 42 Cb -0.12 -2.80 -0.04 0.00 -0.52 0.00 0.00 37.83 34.35 2wwl s LYS 42 CO -0.03 0.23 0.04 -1.17 -0.92 0.00 0.00 175.35 173.51 2wwl s LEU 43 N -2.08 1.85 -0.39 3.17 0.20 -0.43 -4.99 118.68 116.01 2wwl s LEU 43 Ca 0.51 -1.24 -0.03 0.00 0.69 0.00 0.00 54.13 54.07 2wwl s LEU 43 Cb -0.20 0.10 0.10 0.00 -0.43 0.00 0.00 46.19 45.77 2wwl s LEU 43 CO 0.25 -0.67 0.18 -1.00 -0.29 0.00 0.00 176.35 174.82 2wwl s HIS 44 N -3.83 3.57 0.06 5.38 3.76 -1.26 -1.96 115.29 121.00 2wwl s HIS 44 Ca 0.27 -2.38 0.00 0.00 -0.15 0.00 0.00 55.06 52.80 2wwl s HIS 44 Cb 0.07 -3.10 -0.04 0.00 1.11 0.00 0.00 32.58 30.62 2wwl s HIS 44 CO 0.05 -0.95 0.20 0.08 -0.85 0.00 0.00 174.74 173.27 2wwl s VAL 45 N 1.14 5.32 -0.23 -0.90 1.01 -1.05 -4.32 120.40 121.38 2wwl s VAL 45 Ca 0.07 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.56 2wwl s VAL 45 Cb -0.22 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2wwl s VAL 45 CO -0.04 0.15 0.11 -2.28 0.00 0.00 0.00 175.10 173.05 2wwl s HIS 46 N -1.49 3.25 0.18 5.22 2.46 -0.68 -2.88 115.29 121.35 2wwl s HIS 46 Ca 0.34 0.06 0.11 0.00 0.47 0.00 0.00 55.06 56.04 2wwl s HIS 46 Cb -0.13 -2.21 -0.04 0.00 -0.13 0.00 0.00 32.58 30.07 2wwl s HIS 46 CO 0.27 0.01 -0.24 -0.51 -2.47 0.00 0.00 174.74 171.79 2wwl s ASP 47 N 0.97 3.37 0.12 9.88 1.01 -0.46 -3.61 116.67 127.96 2wwl s ASP 47 Ca 0.06 -0.85 -0.13 0.00 0.71 0.00 0.00 52.55 52.34 2wwl s ASP 47 Cb -0.14 -0.24 -0.06 0.00 1.01 0.00 0.00 42.92 43.49 2wwl s ASP 47 CO 0.03 0.12 1.45 -0.08 0.21 0.00 0.00 175.17 176.91 2wwl h GLU 48 N 3.32 0.83 0.00 8.23 4.57 -1.94 -3.40 114.58 126.19 2wwl h GLU 48 Ca -0.47 -0.43 0.00 0.00 -1.18 0.00 0.00 59.36 57.28 2wwl h GLU 48 Cb 1.20 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 2wwl h GLU 48 CO 0.46 1.06 0.00 0.09 -1.18 0.00 0.00 179.01 179.45 2wwl n ASN 49 N -4.17 1.51 -4.62 1.04 4.13 -1.26 -4.83 115.26 107.06 2wwl n ASN 49 Ca -0.03 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 55.98 2wwl n ASN 49 Cb 0.50 0.00 -0.08 0.00 -1.54 0.00 0.00 39.78 38.66 2wwl n ASN 49 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2wwl s ASN 50 N 2.00 4.48 0.00 6.41 -0.87 -1.26 -3.94 114.94 121.75 2wwl s ASN 50 Ca 0.00 -0.57 0.00 0.00 -1.57 0.00 0.00 52.86 50.72 2wwl s ASN 50 Cb 0.00 -0.83 0.00 0.00 -0.02 0.00 0.00 41.25 40.40 2wwl s ASN 50 CO 0.00 0.06 0.22 -0.62 -2.57 0.00 0.00 177.10 174.19 2wwl n GLU 51 N -0.36 0.00 -3.95 -0.60 4.71 -1.26 -5.08 120.64 114.10 2wwl n GLU 51 Ca -0.09 -0.17 -0.10 0.00 -0.01 0.00 0.00 57.16 56.79 2wwl n GLU 51 Cb 0.57 -0.15 -0.06 0.00 -1.01 0.00 0.00 31.44 30.78 2wwl n GLU 51 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2wwl n GLY 53 N -0.27 2.06 3.85 0.00 0.00 -1.26 -5.00 105.19 104.57 2wwl n GLY 53 Ca -0.06 -2.06 -0.34 0.00 0.00 0.00 0.00 46.02 43.55 2wwl n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wwl s ILE 54 N 1.75 4.91 0.00 -0.61 1.01 -1.26 -3.94 121.20 123.05 2wwl s ILE 54 Ca 0.00 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.35 2wwl s ILE 54 Cb 0.00 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.77 2wwl s ILE 54 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.73 2wwl n GLY 55 N 0.61 0.74 3.56 6.18 0.00 -1.14 -4.98 105.19 110.16 2wwl n GLY 55 Ca -0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2wwl n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wwl s ASP 56 N -2.10 6.04 0.23 1.61 -0.00 -1.25 -4.77 116.67 116.44 2wwl s ASP 56 Ca 0.00 -0.17 -0.31 0.00 -0.00 0.00 0.00 52.55 52.07 2wwl s ASP 56 Cb 0.00 -2.55 -0.14 0.00 -0.00 0.00 0.00 42.92 40.23 2wwl s ASP 56 CO 0.00 -1.87 1.32 1.33 -0.00 0.00 0.00 175.17 175.95 2wwl n VAL 57 N 6.61 1.04 -4.06 -1.27 0.24 -0.97 -1.98 118.33 117.94 2wwl n VAL 57 Ca 0.08 -0.26 -0.12 0.00 -2.04 0.00 0.00 64.34 62.00 2wwl n VAL 57 Cb 0.49 -1.30 -0.05 0.00 -1.47 0.00 0.00 33.84 31.52 2wwl n VAL 57 CO 0.00 0.00 0.00 0.68 -2.14 0.00 0.00 176.83 175.37 2wwl s VAL 58 N -0.19 0.00 -0.09 3.34 -7.23 -0.38 -1.84 120.40 114.01 2wwl s VAL 58 Ca 0.68 -1.56 0.04 0.00 -1.81 0.00 0.00 61.98 59.33 2wwl s VAL 58 Cb -0.70 -2.45 -0.01 0.00 0.56 0.00 0.00 36.38 33.79 2wwl s VAL 58 CO 0.51 0.00 -0.22 -0.70 -0.31 0.00 0.00 175.10 174.38 2wwl s GLU 59 N -3.59 2.91 0.26 4.82 2.12 -0.86 -2.42 118.70 121.94 2wwl s GLU 59 Ca 0.28 -0.85 0.04 0.00 0.36 0.00 0.00 54.97 54.80 2wwl s GLU 59 Cb 0.00 -2.31 -0.06 0.00 0.26 0.00 0.00 34.13 32.03 2wwl s GLU 59 CO 0.14 0.27 0.02 0.96 -0.54 0.00 0.00 175.26 176.11 2wwl s ILE 60 N 0.12 1.10 0.03 -3.70 -4.36 -0.96 -1.57 121.20 111.86 2wwl s ILE 60 Ca -0.11 -2.03 -0.05 0.00 -0.26 0.00 0.00 60.65 58.19 2wwl s ILE 60 Cb -0.16 -2.51 -0.01 0.00 1.25 0.00 0.00 42.46 41.03 2wwl s ILE 60 CO 0.06 -0.20 0.09 0.00 0.24 0.00 0.00 174.94 175.13 2wwl s ARG 61 N -3.87 0.57 1.13 0.37 1.70 -0.12 -2.61 118.95 116.11 2wwl s ARG 61 Ca 0.32 -0.73 -0.18 0.00 -0.47 0.00 0.00 55.73 54.66 2wwl s ARG 61 Cb 0.07 0.22 0.26 0.00 -0.57 0.00 0.00 34.95 34.92 2wwl s ARG 61 CO 0.11 -0.14 1.15 -2.00 -1.08 0.00 0.00 175.30 173.35 2wwl s GLU 62 N -2.50 -0.66 0.00 3.89 2.12 -0.78 -0.44 118.70 120.32 2wwl s GLU 62 Ca -0.06 -0.10 0.00 0.00 0.36 0.00 0.00 54.97 55.17 2wwl s GLU 62 Cb -0.02 -1.66 0.00 0.00 0.26 0.00 0.00 34.13 32.71 2wwl s GLU 62 CO -0.04 -3.33 0.00 0.00 -0.54 0.00 0.00 175.26 171.34 2wwl s ARG 64 N -1.72 3.09 0.72 0.00 1.70 -1.26 -4.66 118.95 116.82 2wwl s ARG 64 Ca 0.00 1.49 -0.14 0.00 -0.47 0.00 0.00 55.73 56.61 2wwl s ARG 64 Cb 0.00 -1.98 0.03 0.00 -0.57 0.00 0.00 34.95 32.43 2wwl s ARG 64 CO 0.00 -1.04 1.13 -1.25 -1.08 0.00 0.00 175.30 173.06 2wwl s PRO 65 N -3.71 2.36 0.00 3.89 0.04 -1.25 -4.12 135.00 132.21 2wwl s PRO 65 Ca 0.70 1.44 0.00 0.00 0.04 0.00 0.00 61.00 63.17 2wwl s PRO 65 Cb -0.22 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.43 2wwl s PRO 65 CO 0.34 -1.60 0.00 1.47 0.04 0.00 0.00 177.00 177.26 2wwl n LEU 66 N -2.90 0.00 -3.81 -3.56 -0.00 -1.26 -4.97 117.00 100.50 2wwl n LEU 66 Ca 0.11 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 56.07 2wwl n LEU 66 Cb 0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.93 2wwl n LEU 66 CO 0.49 0.10 0.61 -0.44 -0.00 0.00 0.00 177.39 178.15 2wwl s SER 67 N 0.00 -0.19 0.48 1.45 0.01 -1.26 -5.09 113.70 109.10 2wwl s SER 67 Ca 0.00 -0.56 -0.23 0.00 1.31 0.00 0.00 55.95 56.47 2wwl s SER 67 Cb 0.00 0.62 -0.08 0.00 0.21 0.00 0.00 66.02 66.77 2wwl s SER 67 CO 0.00 -1.15 1.20 1.17 0.41 0.00 0.00 173.24 174.87 2wwl n LYS 68 N -0.48 1.60 -4.18 12.44 3.00 -1.26 -2.65 118.16 126.63 2wwl n LYS 68 Ca -0.05 0.58 -0.34 0.00 -0.00 0.00 0.00 58.31 58.50 2wwl n LYS 68 Cb 0.60 -2.34 -0.08 0.00 0.00 0.00 0.00 35.03 33.21 2wwl n LYS 68 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 2wwl n THR 69 N -0.71 -0.40 -4.47 3.15 -2.24 -1.26 -4.95 114.28 103.40 2wwl n THR 69 Ca 0.09 -0.20 -0.25 0.00 -2.27 0.00 0.00 64.05 61.42 2wwl n THR 69 Cb 0.42 -0.65 -0.13 0.00 -2.10 0.00 0.00 70.33 67.87 2wwl n THR 69 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2wwl s LYS 70 N -6.73 1.27 0.00 -0.78 -0.14 -1.09 -4.46 119.74 107.82 2wwl s LYS 70 Ca 0.41 -1.06 0.00 0.00 -1.36 0.00 0.00 55.97 53.96 2wwl s LYS 70 Cb -0.24 -1.47 0.00 0.00 -1.68 0.00 0.00 37.83 34.44 2wwl s LYS 70 CO 0.91 0.36 0.00 0.45 -0.76 0.00 0.00 175.35 176.31 2wwl n SER 71 N 1.46 0.00 -4.19 2.83 2.88 -1.26 -3.90 113.62 111.43 2wwl n SER 71 Ca -0.18 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.20 2wwl n SER 71 Cb 0.53 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.88 2wwl n SER 71 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 2wwl s TRP 72 N 0.00 1.17 0.16 0.66 0.52 -1.26 -2.33 118.94 117.86 2wwl s TRP 72 Ca 0.00 -0.61 0.04 0.00 0.02 0.00 0.00 56.10 55.56 2wwl s TRP 72 Cb 0.00 -0.63 -0.05 0.00 -1.15 0.00 0.00 33.47 31.64 2wwl s TRP 72 CO 0.00 0.05 -0.08 0.95 0.02 0.00 0.00 176.95 177.88 2wwl s THR 73 N -2.24 1.15 0.04 2.01 -4.23 0.42 -1.69 115.64 111.10 2wwl s THR 73 Ca 0.06 -2.06 -0.30 0.00 -1.18 0.00 0.00 61.69 58.21 2wwl s THR 73 Cb -0.04 -1.94 -0.04 0.00 1.34 0.00 0.00 72.50 71.82 2wwl s THR 73 CO 0.01 -0.67 0.95 -0.22 -0.54 0.00 0.00 174.62 174.16 2wwl s LEU 74 N -3.19 4.42 -0.18 4.79 2.96 -1.24 -0.95 118.68 125.29 2wwl s LEU 74 Ca 0.19 1.69 0.14 0.00 -0.22 0.00 0.00 54.13 55.93 2wwl s LEU 74 Cb 0.03 -3.54 -0.21 0.00 0.50 0.00 0.00 46.19 42.96 2wwl s LEU 74 CO 0.02 -0.17 0.03 0.52 -1.32 0.00 0.00 176.35 175.44 2wwl n VAL 75 N 3.41 1.23 -3.64 1.68 0.31 -0.61 -4.89 118.33 115.82 2wwl n VAL 75 Ca 0.04 -0.73 -0.02 0.00 -0.01 0.00 0.00 64.34 63.62 2wwl n VAL 75 Cb 0.50 -0.61 -0.03 0.00 -0.91 0.00 0.00 33.84 32.79 2wwl n VAL 75 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wwl s ARG 76 N -2.43 0.08 -0.33 5.55 1.04 -1.21 -5.06 118.95 116.58 2wwl s ARG 76 Ca -0.11 0.00 -0.11 0.00 -1.04 0.00 0.00 55.73 54.47 2wwl s ARG 76 Cb 0.06 0.04 -0.00 0.00 -2.04 0.00 0.00 34.95 33.00 2wwl s ARG 76 CO 0.70 -0.03 0.19 0.08 -0.04 0.00 0.00 175.30 176.21 2wwl s VAL 77 N -1.40 4.82 -0.00 4.99 1.01 -1.26 -2.04 120.40 126.52 2wwl s VAL 77 Ca 0.10 -0.43 -0.25 0.00 0.00 0.00 0.00 61.98 61.40 2wwl s VAL 77 Cb -0.01 -3.50 -0.17 0.00 0.00 0.00 0.00 36.38 32.70 2wwl s VAL 77 CO -0.06 -0.01 1.21 0.58 0.00 0.00 0.00 175.10 176.82 2wwl h VAL 78 N 5.64 0.84 -2.03 2.92 2.07 -1.76 -3.48 116.25 120.44 2wwl h VAL 78 Ca -0.31 -0.73 0.16 0.00 0.82 0.00 0.00 66.70 66.64 2wwl h VAL 78 Cb 1.14 1.24 -0.16 0.00 -1.52 0.00 0.00 31.29 31.99 2wwl h VAL 78 CO 0.63 0.15 0.59 -0.70 0.02 0.00 0.00 177.57 178.27 2wwl s GLU 79 N -4.49 0.66 -0.01 1.57 2.56 -0.77 -5.03 118.70 113.20 2wwl s GLU 79 Ca -0.14 -0.25 -0.07 0.00 0.00 0.00 0.00 54.97 54.52 2wwl s GLU 79 Cb 0.02 0.30 -0.29 0.00 2.00 0.00 0.00 34.13 36.16 2wwl s GLU 79 CO 0.56 -0.29 0.81 1.57 -0.56 0.00 0.00 175.26 177.35 2wwl h LYS 80 N 2.00 0.32 -2.98 4.30 2.10 -1.91 -2.58 116.57 117.82 2wwl h LYS 80 Ca -0.18 -0.55 -0.13 0.00 -2.00 0.00 0.00 60.65 57.79 2wwl h LYS 80 Cb 1.22 0.20 -0.23 0.00 -0.90 0.00 0.00 32.23 32.53 2wwl h LYS 80 CO 0.28 1.21 -0.30 0.00 -2.00 0.00 0.00 179.45 178.64 2wwl s ALA 81 N -2.60 -0.81 -1.71 0.07 0.00 -1.26 -4.28 121.76 111.17 2wwl s ALA 81 Ca -0.11 0.65 0.14 0.00 0.00 0.00 0.00 51.96 52.64 2wwl s ALA 81 Cb 0.06 -0.26 0.11 0.00 0.00 0.00 0.00 23.12 23.03 2wwl s ALA 81 CO 0.86 -0.21 0.93 1.33 0.00 0.00 0.00 175.76 178.68