#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wq8 s ARG 3 N 0.00 4.28 0.50 5.55 3.52 -1.26 -4.96 118.95 126.58 1wq8 s ARG 3 Ca 0.00 2.04 -0.23 0.00 -0.13 0.00 0.00 55.73 57.41 1wq8 s ARG 3 Cb 0.00 -3.49 -0.06 0.00 -1.56 0.00 0.00 34.95 29.84 1wq8 s ARG 3 CO 0.00 -0.56 1.34 -2.14 -0.81 0.00 0.00 175.30 173.13 1wq8 s PRO 4 N 2.07 3.45 0.22 5.12 0.02 -1.26 -4.80 135.00 139.81 1wq8 s PRO 4 Ca 0.65 2.20 -0.10 0.00 0.02 0.00 0.00 61.00 63.78 1wq8 s PRO 4 Cb -0.34 -2.43 0.32 0.00 0.02 0.00 0.00 34.50 32.08 1wq8 s PRO 4 CO 0.28 -0.94 1.68 0.35 -0.33 0.00 0.00 177.00 178.04 1wq8 h PHE 5 N 1.88 0.07 -0.99 6.54 3.57 -1.99 -1.54 116.94 124.49 1wq8 h PHE 5 Ca -0.51 0.04 0.06 0.00 3.53 0.00 0.00 57.97 61.10 1wq8 h PHE 5 Cb 1.28 0.06 -0.06 0.00 2.79 0.00 0.00 35.95 40.02 1wq8 h PHE 5 CO 0.49 -0.12 0.64 -0.07 -2.23 0.00 0.00 178.31 177.02 1wq8 h LEU 6 N 0.18 1.03 -0.36 0.59 3.38 -1.99 0.12 115.31 118.25 1wq8 h LEU 6 Ca 0.34 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.19 1wq8 h LEU 6 Cb 0.54 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.07 1wq8 h LEU 6 CO -0.49 0.67 -0.24 -0.08 0.09 0.00 0.00 178.44 178.38 1wq8 h GLU 7 N 1.18 0.81 0.14 1.13 4.81 -1.74 -1.18 114.58 119.72 1wq8 h GLU 7 Ca 0.42 -0.38 -0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1wq8 h GLU 7 Cb 0.13 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1wq8 h GLU 7 CO -0.16 1.01 -0.07 0.28 -0.73 0.00 0.00 179.01 179.34 1wq8 h VAL 8 N 0.60 0.89 -0.80 0.32 2.07 -0.60 -2.44 116.25 116.29 1wq8 h VAL 8 Ca 0.07 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1wq8 h VAL 8 Cb 0.81 0.95 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 1wq8 h VAL 8 CO 0.07 0.02 0.47 -0.74 0.02 0.00 0.00 177.57 177.41 1wq8 h HIS 9 N -0.23 1.07 -0.89 1.57 -0.00 -0.78 -2.52 115.15 113.37 1wq8 h HIS 9 Ca -0.02 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.37 60.33 1wq8 h HIS 9 Cb 0.18 -0.35 -0.04 0.00 -0.00 0.00 0.00 27.41 27.20 1wq8 h HIS 9 CO -0.06 0.72 0.51 1.49 -0.00 0.00 0.00 177.93 180.60 1wq8 h GLU 10 N 1.10 1.23 0.01 5.26 4.81 -1.03 -2.32 114.58 123.64 1wq8 h GLU 10 Ca 0.29 -0.13 -0.19 0.00 -0.13 0.00 0.00 59.36 59.20 1wq8 h GLU 10 Cb -0.03 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.08 1wq8 h GLU 10 CO -0.05 0.88 -0.90 0.00 -0.73 0.00 0.00 179.01 178.20 1wq8 h ARG 11 N 1.24 0.03 -0.00 1.92 2.47 -1.20 -3.21 114.38 115.63 1wq8 h ARG 11 Ca 0.32 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.00 1wq8 h ARG 11 Cb -0.01 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1wq8 h ARG 11 CO -0.06 0.91 -0.18 -1.13 0.56 0.00 0.00 179.97 180.08 1wq8 n SER 12 N -3.50 0.18 -4.74 7.04 3.41 -0.97 -4.90 113.62 110.14 1wq8 n SER 12 Ca -0.01 0.23 -0.35 0.00 -0.26 0.00 0.00 58.87 58.47 1wq8 n SER 12 Cb 0.85 -0.23 0.06 0.00 -0.26 0.00 0.00 64.21 64.62 1wq8 n SER 12 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wq8 s ALA 13 N -3.00 2.39 -0.08 7.33 0.00 -0.89 -1.44 121.76 126.08 1wq8 s ALA 13 Ca 0.13 0.98 -0.34 0.00 0.00 0.00 0.00 51.96 52.73 1wq8 s ALA 13 Cb 0.18 -3.47 -0.12 0.00 0.00 0.00 0.00 23.12 19.72 1wq8 s ALA 13 CO 0.59 -1.44 1.88 0.00 0.00 0.00 0.00 175.76 176.79 1wq8 s GLN 15 N 4.06 0.86 0.03 0.00 -2.07 -0.95 -4.89 119.66 116.69 1wq8 s GLN 15 Ca 0.92 -0.48 -0.29 0.00 -1.82 0.00 0.00 55.36 53.69 1wq8 s GLN 15 Cb -0.68 0.29 -0.04 0.00 -1.09 0.00 0.00 33.01 31.49 1wq8 s GLN 15 CO 0.51 -0.39 0.94 0.00 -1.32 0.00 0.00 175.29 175.03 1wq8 s ALA 16 N -2.90 3.21 0.13 2.60 0.00 -1.26 -1.52 121.76 122.03 1wq8 s ALA 16 Ca 0.13 0.50 -0.09 0.00 0.00 0.00 0.00 51.96 52.50 1wq8 s ALA 16 Cb 0.01 -3.27 -0.00 0.00 0.00 0.00 0.00 23.12 19.86 1wq8 s ALA 16 CO -0.00 -0.14 0.25 -0.98 0.00 0.00 0.00 175.76 174.89 1wq8 s ARG 17 N 0.63 1.02 0.12 0.00 1.70 -0.37 -4.86 118.95 117.18 1wq8 s ARG 17 Ca 0.49 -1.04 -0.32 0.00 -0.47 0.00 0.00 55.73 54.38 1wq8 s ARG 17 Cb -0.21 0.37 -0.12 0.00 -0.57 0.00 0.00 34.95 34.42 1wq8 s ARG 17 CO 0.27 -0.36 1.77 -1.91 -1.08 0.00 0.00 175.30 174.00 1wq8 n GLU 18 N -0.15 2.59 -4.12 3.89 2.13 -1.26 -1.23 120.64 122.48 1wq8 n GLU 18 Ca -0.11 0.94 -0.15 0.00 0.66 0.00 0.00 57.16 58.49 1wq8 n GLU 18 Cb 0.63 -2.80 -0.14 0.00 0.27 0.00 0.00 31.44 29.40 1wq8 n GLU 18 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1wq8 s THR 19 N 2.20 0.36 -0.08 6.31 2.01 0.66 -4.89 115.64 122.21 1wq8 s THR 19 Ca 0.81 -0.21 -0.25 0.00 0.31 0.00 0.00 61.69 62.35 1wq8 s THR 19 Cb -0.55 -0.31 -0.03 0.00 0.01 0.00 0.00 72.50 71.62 1wq8 s THR 19 CO 0.38 0.09 0.77 -0.76 -0.69 0.00 0.00 174.62 174.42 1wq8 s LEU 20 N -0.13 4.29 -0.28 4.42 1.43 -1.26 -1.70 118.68 125.44 1wq8 s LEU 20 Ca 0.02 1.25 0.02 0.00 -1.03 0.00 0.00 54.13 54.38 1wq8 s LEU 20 Cb -0.02 -3.19 0.08 0.00 0.03 0.00 0.00 46.19 43.09 1wq8 s LEU 20 CO -0.00 -0.21 -0.01 -0.69 0.23 0.00 0.00 176.35 175.67 1wq8 s VAL 21 N 1.18 1.72 0.41 -1.59 1.01 0.94 -4.94 120.40 119.13 1wq8 s VAL 21 Ca 0.40 -1.60 -0.26 0.00 0.00 0.00 0.00 61.98 60.51 1wq8 s VAL 21 Cb -0.18 -2.08 -0.10 0.00 0.00 0.00 0.00 36.38 34.02 1wq8 s VAL 21 CO 0.18 -0.31 1.38 -2.65 0.00 0.00 0.00 175.10 173.70 1wq8 n PRO 22 N 4.55 2.23 -0.19 2.72 -0.02 -1.26 -1.01 135.00 142.02 1wq8 n PRO 22 Ca -0.07 0.79 0.01 0.00 -2.02 0.00 0.00 63.50 62.21 1wq8 n PRO 22 Cb 0.43 -2.53 0.27 0.00 -0.02 0.00 0.00 33.50 31.65 1wq8 n PRO 22 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 1wq8 h ILE 23 N 2.39 1.18 0.00 4.25 2.04 -1.48 -1.16 117.51 124.73 1wq8 h ILE 23 Ca -0.49 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.01 1wq8 h ILE 23 Cb 1.27 0.14 -0.00 0.00 -0.74 0.00 0.00 36.82 37.49 1wq8 h ILE 23 CO 0.61 0.17 -0.15 0.25 0.00 0.00 0.00 178.15 179.04 1wq8 h LEU 24 N 0.95 0.00 0.02 1.44 5.85 -1.79 0.20 115.31 121.98 1wq8 h LEU 24 Ca 0.26 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.79 1wq8 h LEU 24 Cb -0.11 0.00 0.02 0.00 0.37 0.00 0.00 40.66 40.94 1wq8 h LEU 24 CO -0.06 0.15 -0.76 -0.61 -0.34 0.00 0.00 178.44 176.83 1wq8 h GLN 25 N 0.00 0.47 -0.23 1.25 4.15 -1.59 -2.60 115.11 116.57 1wq8 h GLN 25 Ca -0.00 -0.54 -0.15 0.00 0.77 0.00 0.00 58.65 58.72 1wq8 h GLN 25 Cb 0.43 0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.27 1wq8 h GLN 25 CO 0.02 1.18 -0.49 1.49 -1.93 0.00 0.00 178.83 179.11 1wq8 h GLU 26 N -0.01 0.63 -2.87 1.69 4.57 -0.99 -3.38 114.58 114.23 1wq8 h GLU 26 Ca -0.10 -0.37 -0.61 0.00 -1.18 0.00 0.00 59.36 57.10 1wq8 h GLU 26 Cb 1.47 0.03 -0.40 0.00 -0.16 0.00 0.00 28.75 29.69 1wq8 h GLU 26 CO 0.15 0.98 -0.73 0.71 -1.18 0.00 0.00 179.01 178.93 1wq8 s TYR 27 N -4.13 2.44 0.66 0.92 1.51 0.65 -4.97 117.35 114.43 1wq8 s TYR 27 Ca -0.08 -2.81 0.35 0.00 -1.01 0.00 0.00 57.07 53.52 1wq8 s TYR 27 Cb 0.11 -1.99 1.93 0.00 -0.11 0.00 0.00 41.96 41.90 1wq8 s TYR 27 CO 0.85 -0.70 2.10 -1.35 -1.11 0.00 0.00 175.55 175.34 1wq8 h PRO 28 N 5.86 0.00 0.00 -1.71 0.11 -1.65 -1.32 132.00 133.29 1wq8 h PRO 28 Ca 0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.24 1wq8 h PRO 28 Cb 0.85 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.96 1wq8 h PRO 28 CO 0.56 0.00 -0.12 -0.44 -0.21 0.00 0.00 178.00 177.79 1wq8 h ASP 29 N 0.00 0.00 0.00 -2.05 3.32 -1.93 -3.38 116.42 112.37 1wq8 h ASP 29 Ca 0.01 -0.04 -0.66 0.00 0.02 0.00 0.00 57.03 56.37 1wq8 h ASP 29 Cb 0.42 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.99 1wq8 h ASP 29 CO -0.00 0.02 3.69 -0.62 -1.72 0.00 0.00 179.24 180.61 1wq8 n GLU 30 N -2.33 3.49 0.01 3.56 -0.58 -0.50 -4.62 120.64 119.67 1wq8 n GLU 30 Ca 0.05 -2.20 0.13 0.00 -0.42 0.00 0.00 57.16 54.71 1wq8 n GLU 30 Cb 0.44 -2.84 0.36 0.00 -0.57 0.00 0.00 31.44 28.83 1wq8 n GLU 30 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1wq8 n ILE 31 N 3.83 0.05 -0.12 -3.67 -5.35 -1.26 -4.50 119.36 108.33 1wq8 n ILE 31 Ca 0.73 -0.03 -0.18 0.00 -0.27 0.00 0.00 62.75 63.00 1wq8 n ILE 31 Cb 0.25 -0.04 -0.11 0.00 -1.74 0.00 0.00 39.64 38.00 1wq8 n ILE 31 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1wq8 n SER 32 N -1.58 2.11 -4.92 7.28 7.64 -1.26 -5.04 113.62 117.85 1wq8 n SER 32 Ca 0.06 -0.07 -0.26 0.00 1.01 0.00 0.00 58.87 59.60 1wq8 n SER 32 Cb 0.35 -0.42 0.06 0.00 -1.01 0.00 0.00 64.21 63.19 1wq8 n SER 32 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 1wq8 s ASP 33 N -6.42 4.94 -0.13 6.43 1.01 -1.26 -4.70 116.67 116.54 1wq8 s ASP 33 Ca -0.32 0.57 -0.06 0.00 0.71 0.00 0.00 52.55 53.44 1wq8 s ASP 33 Cb 0.09 -1.26 -0.04 0.00 1.01 0.00 0.00 42.92 42.71 1wq8 s ASP 33 CO 0.53 -1.53 0.11 -0.63 0.21 0.00 0.00 175.17 173.86 1wq8 s ILE 34 N -3.24 5.20 0.02 0.77 1.01 -0.75 -4.97 121.20 119.23 1wq8 s ILE 34 Ca 0.59 0.10 0.07 0.00 0.00 0.00 0.00 60.65 61.41 1wq8 s ILE 34 Cb -0.11 -3.27 -0.02 0.00 0.01 0.00 0.00 42.46 39.07 1wq8 s ILE 34 CO 0.46 0.58 -0.22 -0.36 0.00 0.00 0.00 174.94 175.39 1wq8 s PHE 35 N -0.71 1.98 -0.12 3.97 0.40 -1.26 0.26 117.98 122.51 1wq8 s PHE 35 Ca 0.13 -0.38 -0.00 0.00 -0.60 0.00 0.00 56.93 56.07 1wq8 s PHE 35 Cb -0.12 -1.22 0.03 0.00 0.51 0.00 0.00 43.02 42.21 1wq8 s PHE 35 CO 0.03 0.04 -0.09 1.03 0.70 0.00 0.00 175.22 176.93 1wq8 s ARG 36 N -0.91 1.65 0.91 0.44 1.81 -0.30 -2.83 118.95 119.72 1wq8 s ARG 36 Ca 0.09 -0.32 -0.12 0.00 -1.72 0.00 0.00 55.73 53.66 1wq8 s ARG 36 Cb -0.09 -1.70 0.14 0.00 -0.45 0.00 0.00 34.95 32.85 1wq8 s ARG 36 CO 0.01 -0.27 1.10 -1.25 -0.68 0.00 0.00 175.30 174.21 1wq8 s PRO 37 N 1.67 1.17 0.12 3.54 0.04 -1.26 -1.30 135.00 138.97 1wq8 s PRO 37 Ca 0.05 0.57 0.27 0.00 0.04 0.00 0.00 61.00 61.92 1wq8 s PRO 37 Cb -0.13 -1.82 0.86 0.00 0.04 0.00 0.00 34.50 33.45 1wq8 s PRO 37 CO -0.09 -2.24 1.74 -1.13 0.04 0.00 0.00 177.00 175.33 1wq8 n SER 38 N -3.84 0.54 -4.08 6.66 3.41 -1.13 -4.85 113.62 110.33 1wq8 n SER 38 Ca 0.06 0.44 -0.09 0.00 -0.26 0.00 0.00 58.87 59.03 1wq8 n SER 38 Cb 0.57 -0.52 -0.09 0.00 -0.26 0.00 0.00 64.21 63.90 1wq8 n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1wq8 s VAL 40 N -3.97 1.66 -0.27 0.00 -7.23 -0.18 -4.90 120.40 105.50 1wq8 s VAL 40 Ca 0.15 -2.19 -0.05 0.00 -1.81 0.00 0.00 61.98 58.08 1wq8 s VAL 40 Cb 0.07 -2.01 0.01 0.00 0.56 0.00 0.00 36.38 35.01 1wq8 s VAL 40 CO -0.04 -0.62 0.02 0.00 -0.31 0.00 0.00 175.10 174.15 1wq8 s ALA 41 N -3.02 2.93 0.22 1.32 0.00 -1.26 -0.04 121.76 121.92 1wq8 s ALA 41 Ca 0.22 -1.41 -0.00 0.00 0.00 0.00 0.00 51.96 50.77 1wq8 s ALA 41 Cb -0.00 -1.95 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 1wq8 s ALA 41 CO 0.06 -0.81 0.13 0.14 0.00 0.00 0.00 175.76 175.27 1wq8 s VAL 42 N 1.45 0.17 -0.02 0.00 -7.23 -0.69 -4.88 120.40 109.20 1wq8 s VAL 42 Ca 0.02 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.89 1wq8 s VAL 42 Cb -0.17 -2.54 -0.03 0.00 0.56 0.00 0.00 36.38 34.21 1wq8 s VAL 42 CO -0.00 0.00 1.01 -0.76 -0.31 0.00 0.00 175.10 175.04 1wq8 s LEU 43 N -3.22 4.34 0.03 1.32 1.43 -1.26 -0.25 118.68 121.07 1wq8 s LEU 43 Ca 0.39 1.66 -0.00 0.00 -1.03 0.00 0.00 54.13 55.15 1wq8 s LEU 43 Cb 0.07 -3.57 -0.02 0.00 0.03 0.00 0.00 46.19 42.70 1wq8 s LEU 43 CO 0.13 -0.33 -0.03 -0.13 0.23 0.00 0.00 176.35 176.22 1wq8 s ARG 44 N 1.29 0.38 0.02 1.70 1.81 -0.37 -1.09 118.95 122.69 1wq8 s ARG 44 Ca 0.52 -0.74 -0.30 0.00 -1.72 0.00 0.00 55.73 53.49 1wq8 s ARG 44 Cb -0.21 0.12 -0.05 0.00 -0.45 0.00 0.00 34.95 34.35 1wq8 s ARG 44 CO 0.26 -0.06 1.27 0.00 -0.68 0.00 0.00 175.30 176.09 1wq8 s SER 46 N 1.40 -0.63 0.00 0.00 1.04 -0.57 -4.83 113.70 110.11 1wq8 s SER 46 Ca 0.60 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.70 1wq8 s SER 46 Cb -0.29 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.35 1wq8 s SER 46 CO 0.27 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.49 1wq8 n GLY 47 N 0.92 2.71 3.41 7.32 0.00 -1.26 -2.25 105.19 116.04 1wq8 n GLY 47 Ca -0.19 -1.05 -0.44 0.00 0.00 0.00 0.00 46.02 44.33 1wq8 n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wq8 h THR 50 N 2.52 0.87 -3.49 0.00 2.02 -1.97 -3.25 112.91 109.60 1wq8 h THR 50 Ca -0.51 -0.31 -0.64 0.00 0.77 0.00 0.00 66.41 65.72 1wq8 h THR 50 Cb 1.26 -0.11 -0.14 0.00 -1.74 0.00 0.00 68.15 67.41 1wq8 h THR 50 CO 0.62 0.16 0.31 -0.62 0.37 0.00 0.00 175.52 176.36 1wq8 s ASP 51 N -5.61 6.35 0.29 4.18 -1.08 -1.26 -4.92 116.67 114.62 1wq8 s ASP 51 Ca -0.12 -0.31 0.18 0.00 -0.52 0.00 0.00 52.55 51.78 1wq8 s ASP 51 Cb 0.22 -2.37 0.97 0.00 -1.46 0.00 0.00 42.92 40.29 1wq8 s ASP 51 CO 0.80 -0.94 1.52 -0.62 0.52 0.00 0.00 175.17 176.45 1wq8 n GLU 52 N 6.69 0.12 0.07 4.34 1.02 -1.23 -1.46 120.64 130.19 1wq8 n GLU 52 Ca 0.00 0.61 0.12 0.00 -0.02 0.00 0.00 57.16 57.87 1wq8 n GLU 52 Cb 0.48 -1.94 0.22 0.00 -0.02 0.00 0.00 31.44 30.17 1wq8 n GLU 52 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1wq8 h SER 53 N 0.00 0.00 -3.53 1.62 4.64 -1.91 -3.47 113.55 110.91 1wq8 h SER 53 Ca 0.00 -0.16 -0.51 0.00 -0.47 0.00 0.00 61.79 60.65 1wq8 h SER 53 Cb 0.12 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1wq8 h SER 53 CO 0.00 0.08 -0.01 -0.76 -0.87 0.00 0.00 176.83 175.27 1wq8 s LEU 54 N -4.36 4.02 -0.08 5.97 1.43 -0.53 -4.54 118.68 120.59 1wq8 s LEU 54 Ca 0.07 1.02 -0.00 0.00 -1.03 0.00 0.00 54.13 54.18 1wq8 s LEU 54 Cb 0.13 -3.83 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1wq8 s LEU 54 CO 0.70 -0.22 -0.04 -0.75 0.23 0.00 0.00 176.35 176.26 1wq8 s LYS 55 N -3.31 2.92 -0.31 1.70 2.47 0.20 -4.59 119.74 118.81 1wq8 s LYS 55 Ca 0.49 -0.50 -0.29 0.00 -1.56 0.00 0.00 55.97 54.11 1wq8 s LYS 55 Cb -0.11 -2.69 0.00 0.00 -1.46 0.00 0.00 37.83 33.58 1wq8 s LYS 55 CO 0.25 0.63 1.34 0.00 0.16 0.00 0.00 175.35 177.73 1wq8 s THR 57 N 4.60 1.05 0.29 0.00 -4.23 0.53 -4.68 115.64 113.19 1wq8 s THR 57 Ca 0.58 -1.29 -0.29 0.00 -1.18 0.00 0.00 61.69 59.51 1wq8 s THR 57 Cb -0.17 -1.03 -0.10 0.00 1.34 0.00 0.00 72.50 72.55 1wq8 s THR 57 CO 0.25 -0.25 1.14 -2.16 -0.54 0.00 0.00 174.62 173.06 1wq8 s PRO 58 N -1.75 4.59 0.00 3.99 0.04 -1.26 -0.52 135.00 140.09 1wq8 s PRO 58 Ca -0.03 1.88 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1wq8 s PRO 58 Cb -0.10 -3.17 0.00 0.00 0.04 0.00 0.00 34.50 31.27 1wq8 s PRO 58 CO 0.02 0.13 0.48 1.33 0.04 0.00 0.00 177.00 179.00 1wq8 n VAL 59 N 1.17 0.14 -3.74 -0.36 0.24 0.05 -4.86 118.33 110.97 1wq8 n VAL 59 Ca -0.01 -0.46 -0.13 0.00 -2.04 0.00 0.00 64.34 61.70 1wq8 n VAL 59 Cb 0.44 1.11 -0.10 0.00 -1.47 0.00 0.00 33.84 33.82 1wq8 n VAL 59 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1wq8 s GLY 60 N -0.14 -0.30 0.19 7.63 0.00 -1.08 -4.89 107.32 108.73 1wq8 s GLY 60 Ca 0.00 1.13 -0.22 0.00 0.00 0.00 0.00 44.72 45.64 1wq8 s GLY 60 CO 0.00 0.99 0.62 -1.59 0.00 0.00 0.00 173.10 173.12 1wq8 s LYS 61 N 0.27 1.42 0.36 2.90 -2.85 -1.26 -0.96 119.74 119.62 1wq8 s LYS 61 Ca -0.00 -0.66 -0.04 0.00 -1.00 0.00 0.00 55.97 54.27 1wq8 s LYS 61 Cb -0.03 0.58 0.01 0.00 -2.06 0.00 0.00 37.83 36.34 1wq8 s LYS 61 CO -0.00 -0.63 0.53 -3.38 0.10 0.00 0.00 175.35 171.97 1wq8 s HIS 62 N -3.81 0.94 0.06 1.78 -3.43 -0.29 -4.88 115.29 105.67 1wq8 s HIS 62 Ca 0.05 -1.24 0.08 0.00 -0.80 0.00 0.00 55.06 53.15 1wq8 s HIS 62 Cb -0.02 0.07 -0.03 0.00 -1.43 0.00 0.00 32.58 31.16 1wq8 s HIS 62 CO -0.07 -1.23 -0.21 0.95 -2.00 0.00 0.00 174.74 172.19 1wq8 s THR 63 N -2.86 2.56 0.04 -5.38 -4.23 -1.26 -0.58 115.64 103.93 1wq8 s THR 63 Ca 0.28 -1.35 0.07 0.00 -1.18 0.00 0.00 61.69 59.52 1wq8 s THR 63 Cb -0.01 -2.08 -0.03 0.00 1.34 0.00 0.00 72.50 71.72 1wq8 s THR 63 CO 0.20 0.29 -0.21 0.68 -0.54 0.00 0.00 174.62 175.03 1wq8 s VAL 64 N -0.94 1.69 -0.22 2.29 -7.23 -0.07 -4.93 120.40 111.00 1wq8 s VAL 64 Ca 0.14 -1.20 -0.09 0.00 -1.81 0.00 0.00 61.98 59.02 1wq8 s VAL 64 Cb -0.10 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.32 1wq8 s VAL 64 CO 0.05 0.22 0.11 -1.81 -0.31 0.00 0.00 175.10 173.36 1wq8 s ASP 65 N -1.17 5.79 0.01 4.85 1.01 -1.26 -1.10 116.67 124.80 1wq8 s ASP 65 Ca 0.08 0.06 0.08 0.00 0.71 0.00 0.00 52.55 53.48 1wq8 s ASP 65 Cb -0.09 -2.02 -0.02 0.00 1.01 0.00 0.00 42.92 41.80 1wq8 s ASP 65 CO 0.02 0.10 -0.24 -0.63 0.21 0.00 0.00 175.17 174.63 1wq8 s ILE 66 N 0.83 1.92 -0.10 0.77 1.01 0.17 -4.92 121.20 120.88 1wq8 s ILE 66 Ca 0.06 -1.15 -0.29 0.00 0.00 0.00 0.00 60.65 59.27 1wq8 s ILE 66 Cb -0.13 -1.62 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 1wq8 s ILE 66 CO 0.02 0.44 0.98 -1.10 0.00 0.00 0.00 174.94 175.29 1wq8 s GLN 67 N -0.83 4.42 0.08 2.79 -0.21 -1.26 -0.12 119.66 124.53 1wq8 s GLN 67 Ca 0.10 1.35 0.06 0.00 0.02 0.00 0.00 55.36 56.88 1wq8 s GLN 67 Cb -0.09 -3.54 -0.03 0.00 1.00 0.00 0.00 33.01 30.35 1wq8 s GLN 67 CO 0.00 -0.29 -0.15 0.42 -2.12 0.00 0.00 175.29 173.15 1wq8 s ILE 68 N 1.92 1.23 -0.23 1.08 -1.09 0.42 -4.94 121.20 119.58 1wq8 s ILE 68 Ca 0.48 -1.38 -0.10 0.00 -2.23 0.00 0.00 60.65 57.41 1wq8 s ILE 68 Cb -0.18 -1.19 -0.05 0.00 -1.58 0.00 0.00 42.46 39.46 1wq8 s ILE 68 CO 0.18 -0.21 0.15 -0.32 -1.23 0.00 0.00 174.94 173.50 1wq8 s MET 69 N -1.85 4.04 -0.21 2.79 -2.45 -0.42 -0.88 119.30 120.33 1wq8 s MET 69 Ca 0.00 -0.29 -0.08 0.00 -1.25 0.00 0.00 55.69 54.07 1wq8 s MET 69 Cb -0.10 -3.50 -0.04 0.00 1.25 0.00 0.00 34.83 32.44 1wq8 s MET 69 CO 0.03 0.07 0.09 0.50 1.05 0.00 0.00 175.02 176.76 1wq8 s ARG 70 N 1.01 3.98 -0.15 4.11 3.52 0.02 -1.15 118.95 130.30 1wq8 s ARG 70 Ca 0.07 -0.33 0.00 0.00 -0.13 0.00 0.00 55.73 55.34 1wq8 s ARG 70 Cb -0.13 -3.33 -0.00 0.00 -1.56 0.00 0.00 34.95 29.92 1wq8 s ARG 70 CO 0.04 0.17 -0.15 0.08 -0.81 0.00 0.00 175.30 174.63 1wq8 s VAL 71 N 0.68 2.71 -0.16 7.11 1.01 0.14 -1.51 120.40 130.39 1wq8 s VAL 71 Ca 0.05 -0.76 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 1wq8 s VAL 71 Cb -0.13 -2.14 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 1wq8 s VAL 71 CO 0.02 0.52 1.59 0.21 0.00 0.00 0.00 175.10 177.43 1wq8 s ASN 72 N 0.69 6.54 0.59 3.32 3.84 -0.41 -1.81 114.94 127.70 1wq8 s ASN 72 Ca -0.07 1.84 0.36 0.00 0.21 0.00 0.00 52.86 55.19 1wq8 s ASN 72 Cb -0.16 -2.53 1.86 0.00 -0.55 0.00 0.00 41.25 39.88 1wq8 s ASN 72 CO 0.02 -1.09 2.19 1.55 -2.79 0.00 0.00 177.10 176.98 1wq8 h PRO 73 N 10.04 0.00 0.07 0.43 0.13 -1.91 0.65 132.00 141.41 1wq8 h PRO 73 Ca -0.35 0.00 -0.38 0.00 -0.87 0.00 0.00 66.00 64.41 1wq8 h PRO 73 Cb 1.16 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.25 1wq8 h PRO 73 CO 0.98 0.03 -2.20 2.89 -0.23 0.00 0.00 178.00 179.47 1wq8 n ARG 74 N -3.31 0.71 0.02 0.86 1.85 -1.26 -4.50 116.66 111.04 1wq8 n ARG 74 Ca -0.02 0.22 0.11 0.00 -1.00 0.00 0.00 57.85 57.16 1wq8 n ARG 74 Cb 0.17 -1.63 -0.08 0.00 -1.05 0.00 0.00 32.46 29.88 1wq8 n ARG 74 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1wq8 n THR 75 N -3.41 0.17 -1.11 8.89 -2.24 -1.20 -4.97 114.28 110.41 1wq8 n THR 75 Ca -0.38 -0.39 -0.04 0.00 -2.27 0.00 0.00 64.05 60.97 1wq8 n THR 75 Cb 1.02 0.10 -0.02 0.00 -2.10 0.00 0.00 70.33 69.33 1wq8 n THR 75 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wq8 n GLN 76 N -2.18 -1.02 -2.42 -0.78 1.13 0.23 -4.98 117.38 107.36 1wq8 n GLN 76 Ca -0.01 0.49 -0.41 0.00 -1.94 0.00 0.00 57.00 55.14 1wq8 n GLN 76 Cb 0.50 -4.39 -0.04 0.00 0.11 0.00 0.00 30.24 26.43 1wq8 n GLN 76 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1wq8 s SER 77 N -2.29 7.16 0.07 1.08 0.15 -1.25 -4.69 113.70 113.92 1wq8 s SER 77 Ca 0.00 2.24 0.01 0.00 0.70 0.00 0.00 55.95 58.90 1wq8 s SER 77 Cb 0.00 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.65 1wq8 s SER 77 CO 0.00 -0.28 0.17 -0.44 1.20 0.00 0.00 173.24 173.89 1wq8 s SER 78 N -0.28 6.12 -0.18 5.45 0.01 -1.26 -1.29 113.70 122.27 1wq8 s SER 78 Ca 0.49 0.19 -0.12 0.00 1.31 0.00 0.00 55.95 57.82 1wq8 s SER 78 Cb -0.32 -1.82 0.05 0.00 0.21 0.00 0.00 66.02 64.14 1wq8 s SER 78 CO 0.39 0.17 0.44 -0.75 0.41 0.00 0.00 173.24 173.90 1wq8 s LYS 79 N -2.47 0.46 0.24 12.44 2.20 -0.57 -5.00 119.74 127.05 1wq8 s LYS 79 Ca 0.33 0.75 -0.19 0.00 -0.36 0.00 0.00 55.97 56.51 1wq8 s LYS 79 Cb -0.13 0.09 -0.08 0.00 -1.51 0.00 0.00 37.83 36.20 1wq8 s LYS 79 CO 0.26 -0.12 0.73 -1.64 -0.36 0.00 0.00 175.35 174.22 1wq8 s MET 80 N 0.96 4.20 0.13 4.03 -1.94 -1.26 -0.80 119.30 124.63 1wq8 s MET 80 Ca -0.06 0.83 -0.13 0.00 -1.71 0.00 0.00 55.69 54.62 1wq8 s MET 80 Cb -0.06 -2.79 0.02 0.00 2.01 0.00 0.00 34.83 34.00 1wq8 s MET 80 CO -0.08 0.35 0.34 -1.83 -0.01 0.00 0.00 175.02 173.79 1wq8 s GLU 81 N -2.17 1.08 -0.17 2.03 -1.05 -0.06 -4.94 118.70 113.42 1wq8 s GLU 81 Ca 0.45 -0.89 -0.13 0.00 -0.15 0.00 0.00 54.97 54.25 1wq8 s GLU 81 Cb -0.15 0.43 -0.05 0.00 -0.44 0.00 0.00 34.13 33.91 1wq8 s GLU 81 CO 0.20 -0.41 0.26 0.08 0.95 0.00 0.00 175.26 176.34 1wq8 s VAL 82 N -3.86 5.33 -0.06 1.83 1.01 -1.26 -0.44 120.40 122.95 1wq8 s VAL 82 Ca 0.07 0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.56 1wq8 s VAL 82 Cb 0.02 -3.60 -0.00 0.00 0.00 0.00 0.00 36.38 32.81 1wq8 s VAL 82 CO -0.08 0.39 -0.18 -0.32 0.00 0.00 0.00 175.10 174.91 1wq8 s MET 83 N 0.50 2.08 0.10 2.72 1.75 0.83 -4.92 119.30 122.35 1wq8 s MET 83 Ca 0.14 -0.65 -0.21 0.00 -1.25 0.00 0.00 55.69 53.72 1wq8 s MET 83 Cb -0.13 -1.72 -0.07 0.00 2.84 0.00 0.00 34.83 35.75 1wq8 s MET 83 CO 0.03 0.21 0.64 0.15 -0.65 0.00 0.00 175.02 175.39 1wq8 s LYS 84 N 0.19 4.33 -0.00 4.11 1.02 -1.26 -0.66 119.74 127.47 1wq8 s LYS 84 Ca -0.09 0.87 0.02 0.00 0.02 0.00 0.00 55.97 56.80 1wq8 s LYS 84 Cb -0.14 -3.25 -0.01 0.00 -0.52 0.00 0.00 37.83 33.91 1wq8 s LYS 84 CO 0.04 0.60 -0.06 -0.06 -0.92 0.00 0.00 175.35 174.95 1wq8 s PHE 85 N -1.04 0.51 0.20 3.18 0.40 -0.26 -4.97 117.98 116.00 1wq8 s PHE 85 Ca 0.31 -0.13 -0.30 0.00 -0.60 0.00 0.00 56.93 56.22 1wq8 s PHE 85 Cb -0.21 -0.33 -0.08 0.00 0.51 0.00 0.00 43.02 42.92 1wq8 s PHE 85 CO 0.21 -0.01 1.08 0.99 0.70 0.00 0.00 175.22 178.18 1wq8 s THR 86 N -0.23 3.83 -0.01 0.64 2.01 -1.26 -0.89 115.64 119.73 1wq8 s THR 86 Ca 0.01 1.66 0.06 0.00 0.31 0.00 0.00 61.69 63.72 1wq8 s THR 86 Cb -0.03 -4.06 -0.01 0.00 0.01 0.00 0.00 72.50 68.41 1wq8 s THR 86 CO -0.00 0.32 -0.18 -0.70 -0.69 0.00 0.00 174.62 173.37 1wq8 s GLU 87 N -0.68 1.44 -0.07 4.92 2.12 0.25 -4.85 118.70 121.83 1wq8 s GLU 87 Ca 0.47 -0.66 -0.17 0.00 0.36 0.00 0.00 54.97 54.97 1wq8 s GLU 87 Cb -0.29 -1.40 -0.05 0.00 0.26 0.00 0.00 34.13 32.65 1wq8 s GLU 87 CO 0.36 0.38 0.47 -1.01 -0.54 0.00 0.00 175.26 174.92 1wq8 s HIS 88 N -0.44 3.59 -0.03 5.30 3.76 -0.25 -1.13 115.29 126.09 1wq8 s HIS 88 Ca 0.07 0.95 0.12 0.00 -0.15 0.00 0.00 55.06 56.06 1wq8 s HIS 88 Cb -0.07 -2.49 -0.19 0.00 1.11 0.00 0.00 32.58 30.95 1wq8 s HIS 88 CO -0.01 0.32 0.24 0.25 -0.85 0.00 0.00 174.74 174.70 1wq8 n THR 89 N 3.04 0.12 -3.81 1.30 -2.24 -0.13 -4.64 114.28 107.92 1wq8 n THR 89 Ca -0.09 -0.32 -0.12 0.00 -2.27 0.00 0.00 64.05 61.25 1wq8 n THR 89 Cb 0.52 0.08 -0.11 0.00 -2.10 0.00 0.00 70.33 68.72 1wq8 n THR 89 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wq8 s ALA 90 N -2.79 -0.53 0.06 6.98 0.00 -1.15 -4.93 121.76 119.40 1wq8 s ALA 90 Ca -0.05 0.35 0.02 0.00 0.00 0.00 0.00 51.96 52.29 1wq8 s ALA 90 Cb 0.07 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 1wq8 s ALA 90 CO 0.52 -0.16 -0.08 0.00 0.00 0.00 0.00 175.76 176.04 1wq8 s GLU 92 N -2.10 0.60 -0.39 0.00 2.02 0.33 -4.87 118.70 114.30 1wq8 s GLU 92 Ca -0.05 -0.56 -0.26 0.00 0.02 0.00 0.00 54.97 54.12 1wq8 s GLU 92 Cb -0.07 0.25 0.02 0.00 0.10 0.00 0.00 34.13 34.43 1wq8 s GLU 92 CO -0.01 -0.16 0.96 0.00 0.02 0.00 0.00 175.26 176.07 1wq8 s ARG 94 N 3.63 1.34 0.33 0.00 1.81 0.22 -4.84 118.95 121.44 1wq8 s ARG 94 Ca 0.40 -1.37 -0.27 0.00 -1.72 0.00 0.00 55.73 52.77 1wq8 s ARG 94 Cb -0.11 -1.64 -0.09 0.00 -0.45 0.00 0.00 34.95 32.65 1wq8 s ARG 94 CO 0.21 0.37 1.06 -1.25 -0.68 0.00 0.00 175.30 175.01 1wq8 s PRO 95 N -2.35 4.44 -0.61 3.54 0.04 -1.26 -0.63 135.00 138.18 1wq8 s PRO 95 Ca 0.14 1.64 -0.17 0.00 0.04 0.00 0.00 61.00 62.66 1wq8 s PRO 95 Cb -0.09 -2.90 0.13 0.00 0.04 0.00 0.00 34.50 31.68 1wq8 s PRO 95 CO 0.07 0.08 0.64 0.50 0.04 0.00 0.00 177.00 178.33 1wq8 s ARG 96 N -1.90 3.11 0.39 4.56 3.52 -1.26 -4.92 118.95 122.44 1wq8 s ARG 96 Ca 0.50 -1.65 -0.28 0.00 -0.13 0.00 0.00 55.73 54.18 1wq8 s ARG 96 Cb -0.27 -4.33 -0.11 0.00 -1.56 0.00 0.00 34.95 28.69 1wq8 s ARG 96 CO 0.34 -1.43 1.49 0.50 -0.81 0.00 0.00 175.30 175.39 1wq8 s ARG 97 N 1.90 4.04 -0.41 5.12 3.52 -1.26 -4.91 118.95 126.95 1wq8 s ARG 97 Ca 0.09 2.58 -0.29 0.00 -0.13 0.00 0.00 55.73 57.99 1wq8 s ARG 97 Cb -0.24 -2.92 0.01 0.00 -1.56 0.00 0.00 34.95 30.24 1wq8 s ARG 97 CO 0.02 -0.59 1.34 -1.59 -0.81 0.00 0.00 175.30 173.66 1wq8 s LYS 98 N -2.16 3.66 0.60 5.12 -2.85 -1.26 -5.00 119.74 117.86 1wq8 s LYS 98 Ca 0.54 0.91 -0.16 0.00 -1.00 0.00 0.00 55.97 56.26 1wq8 s LYS 98 Cb -0.47 -3.98 -0.03 0.00 -2.06 0.00 0.00 37.83 31.30 1wq8 s LYS 98 CO 0.63 -1.46 1.08 -0.65 0.10 0.00 0.00 175.35 175.05 1wq8 s GLN 99 N 4.71 3.19 0.00 1.78 -1.52 -1.26 -5.35 119.66 121.21 1wq8 s GLN 99 Ca 0.58 1.29 0.00 0.00 -1.95 0.00 0.00 55.36 55.27 1wq8 s GLN 99 Cb -0.13 -2.01 0.00 0.00 -0.22 0.00 0.00 33.01 30.65 1wq8 s GLN 99 CO 0.31 -0.92 0.00 0.41 -0.25 0.00 0.00 175.29 174.83