#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vb7 s SER 2 N 0.00 7.30 0.40 1.61 0.01 -1.26 -5.07 113.70 116.69 1vb7 s SER 2 Ca 0.00 1.63 0.08 0.00 1.31 0.00 0.00 55.95 58.97 1vb7 s SER 2 Cb 0.00 -2.50 -0.06 0.00 0.21 0.00 0.00 66.02 63.68 1vb7 s SER 2 CO 0.00 0.10 0.13 -0.44 0.41 0.00 0.00 173.24 173.45 1vb7 s SER 3 N -1.38 4.34 0.00 2.44 0.01 -1.26 -5.13 113.70 112.72 1vb7 s SER 3 Ca 0.41 -1.09 0.00 0.00 1.31 0.00 0.00 55.95 56.58 1vb7 s SER 3 Cb -0.21 -0.49 0.00 0.00 0.21 0.00 0.00 66.02 65.53 1vb7 s SER 3 CO 0.25 -0.48 0.00 0.61 0.41 0.00 0.00 173.24 174.03 1vb7 n GLY 4 N -1.16 2.56 3.05 3.44 0.00 -1.26 -5.18 105.19 106.64 1vb7 n GLY 4 Ca -0.02 0.24 -0.09 0.00 0.00 0.00 0.00 46.02 46.14 1vb7 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vb7 s SER 5 N 0.00 0.54 0.44 1.61 1.04 -1.26 -5.17 113.70 110.91 1vb7 s SER 5 Ca 0.00 -0.74 0.03 0.00 0.48 0.00 0.00 55.95 55.72 1vb7 s SER 5 Cb 0.00 0.12 0.01 0.00 0.10 0.00 0.00 66.02 66.25 1vb7 s SER 5 CO 0.00 -0.40 0.64 -0.44 0.98 0.00 0.00 173.24 174.01 1vb7 s SER 6 N -2.16 5.70 0.00 7.02 0.01 -1.26 -5.03 113.70 117.99 1vb7 s SER 6 Ca -0.04 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.23 1vb7 s SER 6 Cb -0.02 -1.18 0.00 0.00 0.21 0.00 0.00 66.02 65.02 1vb7 s SER 6 CO -0.04 -0.76 0.00 0.61 0.41 0.00 0.00 173.24 173.46 1vb7 n GLY 7 N -2.01 2.79 3.50 3.44 0.00 -1.26 -4.89 105.19 106.76 1vb7 n GLY 7 Ca 0.03 -1.25 -0.26 0.00 0.00 0.00 0.00 46.02 44.55 1vb7 n GLY 7 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vb7 s LEU 8 N 0.00 2.72 0.28 0.99 0.20 0.21 -4.91 118.68 118.17 1vb7 s LEU 8 Ca 0.00 -0.80 0.07 0.00 0.69 0.00 0.00 54.13 54.10 1vb7 s LEU 8 Cb 0.00 -1.36 -0.03 0.00 -0.43 0.00 0.00 46.19 44.37 1vb7 s LEU 8 CO 0.00 0.08 0.20 -0.89 -0.29 0.00 0.00 176.35 175.45 1vb7 s THR 9 N -1.95 4.06 0.02 3.68 2.01 -1.26 0.18 115.64 122.37 1vb7 s THR 9 Ca 0.25 -1.46 0.02 0.00 0.31 0.00 0.00 61.69 60.81 1vb7 s THR 9 Cb -0.07 -3.28 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 1vb7 s THR 9 CO 0.14 -0.30 -0.06 0.54 -0.69 0.00 0.00 174.62 174.25 1vb7 s VAL 10 N -2.21 0.41 -0.32 3.82 0.11 0.15 -4.89 120.40 117.48 1vb7 s VAL 10 Ca 0.35 -0.70 -0.04 0.00 -2.93 0.00 0.00 61.98 58.66 1vb7 s VAL 10 Cb -0.07 -0.44 0.05 0.00 -1.53 0.00 0.00 36.38 34.39 1vb7 s VAL 10 CO 0.25 -0.21 0.05 1.51 -3.33 0.00 0.00 175.10 173.37 1vb7 s ASP 11 N -0.98 5.08 -0.42 3.54 1.47 -1.26 -1.20 116.67 122.90 1vb7 s ASP 11 Ca -0.06 -1.22 -0.09 0.00 1.18 0.00 0.00 52.55 52.36 1vb7 s ASP 11 Cb -0.07 -1.78 0.08 0.00 -0.34 0.00 0.00 42.92 40.81 1vb7 s ASP 11 CO 0.00 -0.29 0.26 -0.69 0.68 0.00 0.00 175.17 175.13 1vb7 s VAL 12 N 1.32 4.15 -0.48 2.11 1.01 -0.52 -4.59 120.40 123.40 1vb7 s VAL 12 Ca -0.04 -1.47 -0.19 0.00 0.00 0.00 0.00 61.98 60.29 1vb7 s VAL 12 Cb -0.20 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 32.66 1vb7 s VAL 12 CO 0.01 -0.53 0.57 0.00 0.00 0.00 0.00 175.10 175.15 1vb7 s ALA 13 N 1.40 3.40 0.00 5.51 0.00 -1.26 0.17 121.76 130.98 1vb7 s ALA 13 Ca 0.03 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.34 1vb7 s ALA 13 Cb -0.23 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1vb7 s ALA 13 CO 0.01 -1.88 0.00 0.41 0.00 0.00 0.00 175.76 174.31 1vb7 n GLY 14 N 5.14 1.20 3.77 0.00 0.00 -1.26 -4.98 105.19 109.06 1vb7 n GLY 14 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1vb7 n GLY 14 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1vb7 s PRO 15 N 0.57 -0.13 0.90 1.61 0.04 -1.26 -5.04 135.00 131.68 1vb7 s PRO 15 Ca 0.00 -0.19 -0.17 0.00 0.04 0.00 0.00 61.00 60.68 1vb7 s PRO 15 Cb 0.00 -1.74 -0.15 0.00 0.04 0.00 0.00 34.50 32.66 1vb7 s PRO 15 CO 0.00 -2.97 -0.68 0.00 0.04 0.00 0.00 177.00 173.39 1vb7 n ALA 16 N -4.20 -5.05 -1.55 8.56 0.00 -1.26 -4.73 120.51 112.28 1vb7 n ALA 16 Ca 0.13 -0.57 -0.29 0.00 0.00 0.00 0.00 53.44 52.71 1vb7 n ALA 16 Cb 0.59 -1.15 0.12 0.00 0.00 0.00 0.00 19.45 19.02 1vb7 n ALA 16 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1vb7 s PRO 17 N -1.79 1.36 -0.03 0.00 0.04 -1.26 -5.15 135.00 128.17 1vb7 s PRO 17 Ca 0.42 0.36 -0.03 0.00 0.04 0.00 0.00 61.00 61.79 1vb7 s PRO 17 Cb -0.23 -1.86 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 1vb7 s PRO 17 CO 0.78 -2.06 -0.05 0.91 0.04 0.00 0.00 177.00 176.62 1vb7 n TRP 18 N -3.68 0.11 0.00 0.56 7.02 -1.26 -4.82 117.44 115.36 1vb7 n TRP 18 Ca 0.07 0.05 0.00 0.00 -1.02 0.00 0.00 57.50 56.59 1vb7 n TRP 18 Cb 0.59 -0.24 0.00 0.00 -2.42 0.00 0.00 31.31 29.23 1vb7 n TRP 18 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1vb7 n GLY 19 N 1.62 1.22 3.01 6.99 0.00 -1.26 -3.00 105.19 113.77 1vb7 n GLY 19 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 1vb7 n GLY 19 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1vb7 s PHE 20 N -2.00 0.27 0.37 1.61 -0.12 -1.26 0.75 117.98 117.60 1vb7 s PHE 20 Ca 0.00 -0.56 0.08 0.00 -0.05 0.00 0.00 56.93 56.40 1vb7 s PHE 20 Cb 0.00 -0.20 -0.06 0.00 -0.63 0.00 0.00 43.02 42.13 1vb7 s PHE 20 CO 0.00 -0.23 0.07 1.03 -0.05 0.00 0.00 175.22 176.04 1vb7 s ARG 21 N -1.79 2.11 0.31 1.99 0.52 -1.02 -4.98 118.95 116.09 1vb7 s ARG 21 Ca -0.13 -1.82 0.03 0.00 -0.52 0.00 0.00 55.73 53.29 1vb7 s ARG 21 Cb -0.07 -1.91 -0.04 0.00 0.52 0.00 0.00 34.95 33.45 1vb7 s ARG 21 CO -0.02 0.03 0.14 0.96 0.02 0.00 0.00 175.30 176.43 1vb7 s ILE 22 N -2.57 0.44 0.35 1.52 -4.36 -1.26 -1.78 121.20 113.55 1vb7 s ILE 22 Ca 0.37 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.76 1vb7 s ILE 22 Cb 0.03 -2.53 -0.00 0.00 1.25 0.00 0.00 42.46 41.20 1vb7 s ILE 22 CO 0.20 0.00 0.45 -0.55 0.24 0.00 0.00 174.94 175.28 1vb7 s SER 23 N -3.40 1.18 1.65 4.36 0.15 0.28 -4.63 113.70 113.30 1vb7 s SER 23 Ca 0.35 -1.59 0.00 0.00 0.70 0.00 0.00 55.95 55.41 1vb7 s SER 23 Cb 0.05 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 65.02 1vb7 s SER 23 CO 0.17 -1.28 0.00 0.61 1.20 0.00 0.00 173.24 173.94 1vb7 n GLY 24 N -0.60 3.41 0.00 9.45 0.00 -1.26 -2.82 105.19 113.36 1vb7 n GLY 24 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1vb7 n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vb7 n GLY 25 N 0.00 1.69 0.37 -0.02 0.00 0.42 -4.22 105.19 103.42 1vb7 n GLY 25 Ca 0.00 -2.04 0.10 0.00 0.00 0.00 0.00 46.02 44.08 1vb7 n GLY 25 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1vb7 h ARG 26 N 0.00 0.79 -0.50 1.61 9.65 0.76 0.60 114.38 127.30 1vb7 h ARG 26 Ca 0.00 -0.05 0.04 0.00 -1.10 0.00 0.00 59.98 58.87 1vb7 h ARG 26 Cb 0.00 -0.18 -0.04 0.00 -1.39 0.00 0.00 29.97 28.36 1vb7 h ARG 26 CO 0.00 0.53 0.27 0.22 2.80 0.00 0.00 179.97 183.78 1vb7 h ASP 27 N 0.82 0.41 -0.39 -3.80 3.58 -1.84 0.04 116.42 115.24 1vb7 h ASP 27 Ca 0.47 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.94 1vb7 h ASP 27 Cb 0.62 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.61 1vb7 h ASP 27 CO -0.23 0.28 0.00 0.49 -2.88 0.00 0.00 179.24 176.90 1vb7 n PHE 28 N -4.86 0.68 -2.48 0.28 3.01 0.02 -4.88 117.46 109.24 1vb7 n PHE 28 Ca 0.04 -0.30 -0.14 0.00 1.01 0.00 0.00 57.45 58.06 1vb7 n PHE 28 Cb 0.11 -0.08 -0.01 0.00 -0.01 0.00 0.00 39.48 39.50 1vb7 n PHE 28 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1vb7 n HIS 29 N 0.61 -1.39 -4.29 1.38 8.25 0.96 -4.77 115.22 115.97 1vb7 n HIS 29 Ca 0.14 0.02 -0.16 0.00 -0.26 0.00 0.00 57.72 57.46 1vb7 n HIS 29 Cb 0.44 -2.93 -0.10 0.00 1.12 0.00 0.00 29.99 28.52 1vb7 n HIS 29 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1vb7 s THR 30 N -2.68 1.44 0.36 1.59 -4.23 0.17 -4.93 115.64 107.36 1vb7 s THR 30 Ca 0.02 -2.11 -0.26 0.00 -1.18 0.00 0.00 61.69 58.16 1vb7 s THR 30 Cb -0.01 -1.92 -0.09 0.00 1.34 0.00 0.00 72.50 71.82 1vb7 s THR 30 CO 0.02 -0.66 1.06 -2.16 -0.54 0.00 0.00 174.62 172.35 1vb7 s PRO 31 N -3.64 4.31 -0.50 3.99 0.04 -1.26 0.16 135.00 138.09 1vb7 s PRO 31 Ca 0.19 1.60 -0.27 0.00 0.04 0.00 0.00 61.00 62.56 1vb7 s PRO 31 Cb 0.01 -2.74 -0.03 0.00 0.04 0.00 0.00 34.50 31.77 1vb7 s PRO 31 CO 0.04 -0.03 2.01 0.42 0.04 0.00 0.00 177.00 179.48 1vb7 s ILE 32 N -1.50 3.27 0.03 0.56 -1.09 -1.26 -3.82 121.20 117.40 1vb7 s ILE 32 Ca 0.54 0.20 0.04 0.00 -2.23 0.00 0.00 60.65 59.20 1vb7 s ILE 32 Cb -0.25 -3.58 -0.04 0.00 -1.58 0.00 0.00 42.46 37.01 1vb7 s ILE 32 CO 0.32 -0.52 -0.08 -0.63 -1.23 0.00 0.00 174.94 172.80 1vb7 s ILE 33 N 9.42 3.54 0.13 2.92 1.01 -1.13 0.45 121.20 137.54 1vb7 s ILE 33 Ca 0.80 -0.92 -0.30 0.00 0.00 0.00 0.00 60.65 60.22 1vb7 s ILE 33 Cb -0.17 -2.57 -0.06 0.00 0.01 0.00 0.00 42.46 39.67 1vb7 s ILE 33 CO 0.26 0.31 0.99 -0.69 0.00 0.00 0.00 174.94 175.81 1vb7 s VAL 34 N -1.06 4.36 -0.25 2.92 1.01 -1.11 0.10 120.40 126.37 1vb7 s VAL 34 Ca 0.18 1.98 -0.16 0.00 0.00 0.00 0.00 61.98 63.98 1vb7 s VAL 34 Cb -0.11 -4.26 -0.13 0.00 0.00 0.00 0.00 36.38 31.88 1vb7 s VAL 34 CO 0.09 0.31 -0.23 0.35 0.00 0.00 0.00 175.10 175.63 1vb7 n THR 35 N 2.68 1.53 -4.33 3.92 -2.24 -0.73 0.36 114.28 115.46 1vb7 n THR 35 Ca 0.02 -0.26 -0.18 0.00 -2.27 0.00 0.00 64.05 61.36 1vb7 n THR 35 Cb 0.48 -1.96 -0.10 0.00 -2.10 0.00 0.00 70.33 66.66 1vb7 n THR 35 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1vb7 s LYS 36 N -2.50 1.30 -0.23 -0.78 2.36 -1.26 -4.78 119.74 113.84 1vb7 s LYS 36 Ca -0.36 -1.58 -0.03 0.00 -2.55 0.00 0.00 55.97 51.45 1vb7 s LYS 36 Cb 0.12 -1.02 0.10 0.00 -1.05 0.00 0.00 37.83 35.97 1vb7 s LYS 36 CO 0.50 0.15 0.19 0.08 1.55 0.00 0.00 175.35 177.82 1vb7 s VAL 37 N -3.05 -0.24 -0.01 4.02 1.01 -1.26 -2.43 120.40 118.44 1vb7 s VAL 37 Ca 0.22 -0.35 -0.37 0.00 0.00 0.00 0.00 61.98 61.48 1vb7 s VAL 37 Cb 0.00 -0.79 -0.16 0.00 0.00 0.00 0.00 36.38 35.44 1vb7 s VAL 37 CO 0.06 -0.39 1.50 0.41 0.00 0.00 0.00 175.10 176.68 1vb7 n THR 38 N 5.29 0.12 -2.48 3.92 -1.04 0.23 -4.88 114.28 115.44 1vb7 n THR 38 Ca -0.05 -0.02 -0.39 0.00 -2.04 0.00 0.00 64.05 61.54 1vb7 n THR 38 Cb 0.47 -1.06 -0.04 0.00 -1.82 0.00 0.00 70.33 67.88 1vb7 n THR 38 CO 0.00 0.00 0.00 -0.70 -0.64 0.00 0.00 175.07 173.73 1vb7 s GLU 39 N 1.56 4.49 -1.17 -2.82 2.56 -1.26 -3.13 118.70 118.93 1vb7 s GLU 39 Ca 0.88 1.74 -0.09 0.00 0.00 0.00 0.00 54.97 57.50 1vb7 s GLU 39 Cb -0.94 -3.00 0.08 0.00 2.00 0.00 0.00 34.13 32.27 1vb7 s GLU 39 CO 0.51 0.09 0.40 0.54 -0.56 0.00 0.00 175.26 176.24 1vb7 n ARG 40 N 0.81 -2.91 0.00 4.30 5.12 -1.26 -4.90 116.66 117.82 1vb7 n ARG 40 Ca 0.01 0.37 0.00 0.00 -1.93 0.00 0.00 57.85 56.30 1vb7 n ARG 40 Cb 0.46 -5.03 0.00 0.00 -1.16 0.00 0.00 32.46 26.73 1vb7 n ARG 40 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1vb7 n GLY 41 N -1.04 2.45 0.11 -0.13 0.00 -1.18 -4.91 105.19 100.48 1vb7 n GLY 41 Ca -0.00 -1.84 -0.20 0.00 0.00 0.00 0.00 46.02 43.98 1vb7 n GLY 41 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1vb7 h LYS 42 N 0.00 0.11 0.00 1.61 1.79 -1.81 -3.07 116.57 115.20 1vb7 h LYS 42 Ca 0.00 -0.18 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 1vb7 h LYS 42 Cb 0.00 0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.72 1vb7 h LYS 42 CO 0.00 1.09 0.00 0.00 -1.08 0.00 0.00 179.45 179.46 1vb7 n ALA 43 N -3.04 -0.36 -0.32 3.86 0.00 -1.25 -2.43 120.51 116.98 1vb7 n ALA 43 Ca -0.24 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.37 1vb7 n ALA 43 Cb 0.73 0.02 0.35 0.00 0.00 0.00 0.00 19.45 20.55 1vb7 n ALA 43 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1vb7 h GLU 44 N 0.00 0.12 -0.81 0.00 4.22 -1.70 0.54 114.58 116.95 1vb7 h GLU 44 Ca 0.00 -0.01 0.15 0.00 0.08 0.00 0.00 59.36 59.59 1vb7 h GLU 44 Cb 0.00 -0.03 -0.15 0.00 0.50 0.00 0.00 28.75 29.07 1vb7 h GLU 44 CO 0.00 0.08 -0.25 0.00 -2.18 0.00 0.00 179.01 176.66 1vb7 h ALA 45 N 1.88 0.40 -3.00 2.92 0.00 -1.42 -3.22 119.26 116.82 1vb7 h ALA 45 Ca 0.63 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.83 1vb7 h ALA 45 Cb 1.38 0.70 0.00 0.00 0.00 0.00 0.00 17.79 19.87 1vb7 h ALA 45 CO -0.75 -0.47 0.00 0.00 0.00 0.00 0.00 179.25 178.02 1vb7 n ALA 46 N -3.34 0.00 -2.38 0.00 0.00 0.19 -4.96 120.51 110.02 1vb7 n ALA 46 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.54 1vb7 n ALA 46 Cb 0.41 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.87 1vb7 n ALA 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1vb7 n ASP 47 N 0.00 -0.28 -4.70 0.00 -0.08 -1.07 -4.99 116.55 105.43 1vb7 n ASP 47 Ca 0.00 -1.11 -0.37 0.00 -1.51 0.00 0.00 54.79 51.80 1vb7 n ASP 47 Cb 0.00 0.13 -0.07 0.00 2.34 0.00 0.00 41.12 43.51 1vb7 n ASP 47 CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 1vb7 s LEU 48 N -0.69 4.20 0.19 -2.67 2.96 -1.19 -4.99 118.68 116.48 1vb7 s LEU 48 Ca 0.02 0.47 0.08 0.00 -0.22 0.00 0.00 54.13 54.47 1vb7 s LEU 48 Cb 0.08 -2.40 -0.04 0.00 0.50 0.00 0.00 46.19 44.32 1vb7 s LEU 48 CO -0.02 0.03 -0.16 -0.13 -1.32 0.00 0.00 176.35 174.75 1vb7 s ARG 49 N 0.83 1.30 -0.06 1.98 0.52 -1.26 -4.03 118.95 118.23 1vb7 s ARG 49 Ca 0.17 -1.50 -0.30 0.00 -0.52 0.00 0.00 55.73 53.57 1vb7 s ARG 49 Cb -0.14 -1.20 -0.03 0.00 0.52 0.00 0.00 34.95 34.10 1vb7 s ARG 49 CO 0.05 0.22 1.23 -1.25 0.02 0.00 0.00 175.30 175.57 1vb7 s PRO 50 N -3.27 4.33 0.00 3.54 0.04 -1.26 -3.03 135.00 135.36 1vb7 s PRO 50 Ca 0.19 1.70 0.00 0.00 0.04 0.00 0.00 61.00 62.93 1vb7 s PRO 50 Cb -0.03 -3.58 0.00 0.00 0.04 0.00 0.00 34.50 30.93 1vb7 s PRO 50 CO 0.07 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 177.03 1vb7 n GLY 51 N 3.41 1.04 3.66 0.56 0.00 0.16 -4.91 105.19 109.11 1vb7 n GLY 51 Ca 0.11 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.66 1vb7 n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vb7 n ASP 52 N 0.00 2.83 -4.58 1.61 8.00 -1.17 -4.47 116.55 118.76 1vb7 n ASP 52 Ca 0.00 1.08 -0.43 0.00 0.71 0.00 0.00 54.79 56.15 1vb7 n ASP 52 Cb 0.00 -1.37 -0.04 0.00 -0.02 0.00 0.00 41.12 39.69 1vb7 n ASP 52 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1vb7 s ILE 53 N 1.15 4.61 -0.32 0.53 1.01 -1.26 -2.74 121.20 124.18 1vb7 s ILE 53 Ca 0.81 0.93 -0.29 0.00 0.00 0.00 0.00 60.65 62.11 1vb7 s ILE 53 Cb -0.74 -4.32 -0.01 0.00 0.01 0.00 0.00 42.46 37.40 1vb7 s ILE 53 CO 0.41 -0.59 1.65 -0.63 0.00 0.00 0.00 174.94 175.79 1vb7 s ILE 54 N 3.41 3.64 -0.11 2.92 1.01 0.17 0.09 121.20 132.33 1vb7 s ILE 54 Ca 0.35 0.67 -0.27 0.00 0.00 0.00 0.00 60.65 61.40 1vb7 s ILE 54 Cb -0.12 -3.79 -0.26 0.00 0.01 0.00 0.00 42.46 38.29 1vb7 s ILE 54 CO 0.20 -0.46 0.83 0.58 0.00 0.00 0.00 174.94 176.10 1vb7 h VAL 55 N 6.54 1.71 -4.27 2.92 2.07 0.21 -3.40 116.25 122.04 1vb7 h VAL 55 Ca -0.32 -2.30 -0.34 0.00 0.82 0.00 0.00 66.70 64.56 1vb7 h VAL 55 Cb 1.15 3.27 -0.14 0.00 -1.52 0.00 0.00 31.29 34.04 1vb7 h VAL 55 CO 1.03 0.61 -0.59 0.00 0.02 0.00 0.00 177.57 178.65 1vb7 s ALA 56 N -2.41 1.60 -0.29 1.67 0.00 -1.17 0.17 121.76 121.33 1vb7 s ALA 56 Ca -0.18 -1.79 -0.01 0.00 0.00 0.00 0.00 51.96 49.98 1vb7 s ALA 56 Cb -0.02 1.26 0.09 0.00 0.00 0.00 0.00 23.12 24.45 1vb7 s ALA 56 CO 0.72 -0.55 0.08 0.42 0.00 0.00 0.00 175.76 176.43 1vb7 s ILE 57 N -3.83 0.88 0.00 0.00 1.01 0.49 -2.67 121.20 117.09 1vb7 s ILE 57 Ca 0.38 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1vb7 s ILE 57 Cb 0.06 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.92 1vb7 s ILE 57 CO 0.16 -0.59 0.00 -3.20 0.00 0.00 0.00 174.94 171.30 1vb7 n ASN 58 N 4.86 -3.67 0.00 3.58 2.85 0.52 -1.74 115.26 121.65 1vb7 n ASN 58 Ca -0.03 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.44 1vb7 n ASN 58 Cb 0.43 -1.66 0.00 0.00 1.24 0.00 0.00 39.78 39.78 1vb7 n ASN 58 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1vb7 n GLY 59 N -1.41 1.41 3.61 8.20 0.00 -1.26 -4.88 105.19 110.85 1vb7 n GLY 59 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 1vb7 n GLY 59 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1vb7 s GLN 60 N -0.11 4.00 0.34 1.61 2.00 -0.71 -4.99 119.66 121.80 1vb7 s GLN 60 Ca 0.00 0.20 -0.23 0.00 -2.00 0.00 0.00 55.36 53.33 1vb7 s GLN 60 Cb 0.00 -3.67 -0.16 0.00 0.80 0.00 0.00 33.01 29.98 1vb7 s GLN 60 CO 0.00 -0.38 0.27 0.43 -0.50 0.00 0.00 175.29 175.11 1vb7 n SER 61 N 5.53 -2.15 -0.02 6.67 7.64 -1.26 0.19 113.62 130.21 1vb7 n SER 61 Ca -0.05 0.92 0.01 0.00 1.01 0.00 0.00 58.87 60.76 1vb7 n SER 61 Cb 0.50 -0.93 0.01 0.00 -1.01 0.00 0.00 64.21 62.78 1vb7 n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vb7 n ALA 62 N -0.68 1.75 -0.08 -0.43 0.00 0.46 -4.55 120.51 116.98 1vb7 n ALA 62 Ca 0.13 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.60 1vb7 n ALA 62 Cb 0.35 -0.04 0.29 0.00 0.00 0.00 0.00 19.45 20.05 1vb7 n ALA 62 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1vb7 h GLU 63 N 0.00 0.72 -2.02 0.00 5.08 -1.78 -3.06 114.58 113.51 1vb7 h GLU 63 Ca 0.00 -0.10 -0.57 0.00 -1.00 0.00 0.00 59.36 57.70 1vb7 h GLU 63 Cb 0.69 -0.13 -0.42 0.00 0.50 0.00 0.00 28.75 29.39 1vb7 h GLU 63 CO 0.00 0.58 -0.75 0.09 -1.00 0.00 0.00 179.01 177.93 1vb7 n ASN 64 N -4.36 3.98 -4.34 1.42 3.02 -1.26 -4.65 115.26 109.08 1vb7 n ASN 64 Ca 0.04 -3.57 -0.34 0.00 -0.03 0.00 0.00 54.58 50.68 1vb7 n ASN 64 Cb 0.15 -0.54 -0.14 0.00 -0.61 0.00 0.00 39.78 38.63 1vb7 n ASN 64 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1vb7 s MET 65 N -3.36 3.38 0.62 3.52 -1.94 -1.16 -4.79 119.30 115.57 1vb7 s MET 65 Ca 0.47 -0.65 -0.18 0.00 -1.71 0.00 0.00 55.69 53.61 1vb7 s MET 65 Cb 0.32 -2.82 -0.02 0.00 2.01 0.00 0.00 34.83 34.32 1vb7 s MET 65 CO -0.14 0.01 1.19 -0.51 -0.01 0.00 0.00 175.02 175.56 1vb7 s LEU 66 N 0.91 3.59 0.61 -0.03 1.43 -1.26 0.11 118.68 124.03 1vb7 s LEU 66 Ca -0.02 2.32 0.29 0.00 -1.03 0.00 0.00 54.13 55.69 1vb7 s LEU 66 Cb -0.15 -4.59 1.53 0.00 0.03 0.00 0.00 46.19 43.01 1vb7 s LEU 66 CO 0.00 -1.66 1.93 -0.74 0.23 0.00 0.00 176.35 176.11 1vb7 h HIS 67 N 0.65 0.00 0.00 0.29 -0.00 -1.88 0.97 115.15 115.18 1vb7 h HIS 67 Ca -0.50 0.00 -0.21 0.00 -0.00 0.00 0.00 60.37 59.66 1vb7 h HIS 67 Cb 1.29 0.00 -0.04 0.00 -0.00 0.00 0.00 27.41 28.66 1vb7 h HIS 67 CO 0.48 0.00 -1.60 0.00 -0.00 0.00 0.00 177.93 176.81 1vb7 n ALA 68 N -2.24 1.81 0.14 5.26 0.00 -1.26 -3.11 120.51 121.11 1vb7 n ALA 68 Ca 0.05 -0.67 -0.12 0.00 0.00 0.00 0.00 53.44 52.70 1vb7 n ALA 68 Cb 0.56 -0.86 -0.08 0.00 0.00 0.00 0.00 19.45 19.08 1vb7 n ALA 68 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1vb7 h GLU 69 N 0.00 -0.37 -0.59 0.00 4.39 0.54 0.19 114.58 118.73 1vb7 h GLU 69 Ca -0.22 0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.48 1vb7 h GLU 69 Cb 1.74 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 30.44 1vb7 h GLU 69 CO 0.05 -0.03 0.26 0.00 -1.16 0.00 0.00 179.01 178.14 1vb7 h ALA 70 N -0.29 1.35 -0.11 3.43 0.00 -1.05 0.83 119.26 123.41 1vb7 h ALA 70 Ca -0.04 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1vb7 h ALA 70 Cb 0.51 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1vb7 h ALA 70 CO 0.06 0.50 0.02 1.96 0.00 0.00 0.00 179.25 181.80 1vb7 h GLN 71 N 0.84 0.18 0.79 0.00 1.08 -1.50 -0.05 115.11 116.46 1vb7 h GLN 71 Ca 0.21 -0.05 -0.04 0.00 -1.45 0.00 0.00 58.65 57.32 1vb7 h GLN 71 Cb 0.12 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 27.54 1vb7 h GLN 71 CO -0.02 0.37 -0.38 1.03 -0.95 0.00 0.00 178.83 178.87 1vb7 h SER 72 N -0.04 -0.90 -0.31 1.46 0.87 -0.20 0.45 113.55 114.88 1vb7 h SER 72 Ca 0.03 0.02 0.06 0.00 -1.23 0.00 0.00 61.79 60.68 1vb7 h SER 72 Cb 0.27 0.23 -0.08 0.00 -0.44 0.00 0.00 62.40 62.39 1vb7 h SER 72 CO 0.00 -0.62 -0.43 0.11 -0.53 0.00 0.00 176.83 175.36 1vb7 h LYS 73 N -1.11 -0.37 -0.02 2.24 1.57 -0.87 1.26 116.57 119.26 1vb7 h LYS 73 Ca -0.11 0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1vb7 h LYS 73 Cb 0.83 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.17 1vb7 h LYS 73 CO 0.18 -0.25 -0.29 0.82 -0.57 0.00 0.00 179.45 179.34 1vb7 h ILE 74 N -0.39 0.35 0.00 1.86 2.04 -0.92 0.80 117.51 121.25 1vb7 h ILE 74 Ca 0.11 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.97 1vb7 h ILE 74 Cb 0.60 0.35 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 1vb7 h ILE 74 CO -0.51 0.00 0.01 -0.09 0.00 0.00 0.00 178.15 177.56 1vb7 h ARG 75 N -0.43 0.00 -0.21 2.37 2.43 0.12 0.22 114.38 118.88 1vb7 h ARG 75 Ca 0.07 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 1vb7 h ARG 75 Cb 0.52 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.04 1vb7 h ARG 75 CO -0.27 0.00 -0.08 1.04 -1.51 0.00 0.00 179.97 179.15 1vb7 n GLN 76 N -2.84 2.05 -3.71 0.20 1.13 0.42 -4.98 117.38 109.66 1vb7 n GLN 76 Ca -0.03 -2.96 -0.37 0.00 -1.94 0.00 0.00 57.00 51.71 1vb7 n GLN 76 Cb 0.07 -1.74 -0.10 0.00 0.11 0.00 0.00 30.24 28.58 1vb7 n GLN 76 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1vb7 s SER 77 N -2.49 5.89 0.98 1.08 0.15 0.23 -4.91 113.70 114.63 1vb7 s SER 77 Ca 0.40 0.04 -0.16 0.00 0.70 0.00 0.00 55.95 56.93 1vb7 s SER 77 Cb 0.35 -2.06 0.20 0.00 -1.71 0.00 0.00 66.02 62.80 1vb7 s SER 77 CO 0.03 0.04 1.26 0.00 1.20 0.00 0.00 173.24 175.77 1vb7 s ALA 78 N 1.19 2.00 -0.09 5.45 0.00 -1.26 -4.58 121.76 124.47 1vb7 s ALA 78 Ca 0.07 -1.06 -0.02 0.00 0.00 0.00 0.00 51.96 50.95 1vb7 s ALA 78 Cb -0.14 -2.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 1vb7 s ALA 78 CO 0.05 -2.52 0.01 -1.54 0.00 0.00 0.00 175.76 171.76 1vb7 s SER 79 N -4.65 5.27 0.73 0.00 1.04 -1.26 -2.89 113.70 111.93 1vb7 s SER 79 Ca 0.72 0.15 -0.11 0.00 0.48 0.00 0.00 55.95 57.19 1vb7 s SER 79 Cb -0.06 -1.49 0.03 0.00 0.10 0.00 0.00 66.02 64.60 1vb7 s SER 79 CO 0.53 0.38 1.07 -2.16 0.98 0.00 0.00 173.24 174.04 1vb7 s PRO 80 N -0.90 2.67 -0.38 4.02 0.04 -1.26 -4.93 135.00 134.25 1vb7 s PRO 80 Ca 0.13 0.85 -0.05 0.00 0.04 0.00 0.00 61.00 61.97 1vb7 s PRO 80 Cb -0.11 -1.97 0.08 0.00 0.04 0.00 0.00 34.50 32.54 1vb7 s PRO 80 CO 0.02 -1.26 0.17 -1.17 0.04 0.00 0.00 177.00 174.80 1vb7 s LEU 81 N -5.62 4.87 -0.03 -3.56 2.96 0.46 -4.88 118.68 112.88 1vb7 s LEU 81 Ca 0.59 -1.63 -0.30 0.00 -0.22 0.00 0.00 54.13 52.57 1vb7 s LEU 81 Cb -0.14 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.66 1vb7 s LEU 81 CO 0.55 -0.47 1.01 -0.60 -1.32 0.00 0.00 176.35 175.52 1vb7 s ARG 82 N 1.28 4.50 -0.07 1.98 3.52 -1.26 -1.43 118.95 127.46 1vb7 s ARG 82 Ca 0.03 1.44 -0.01 0.00 -0.13 0.00 0.00 55.73 57.06 1vb7 s ARG 82 Cb -0.22 -3.48 0.03 0.00 -1.56 0.00 0.00 34.95 29.71 1vb7 s ARG 82 CO -0.01 -0.16 -0.03 -0.51 -0.81 0.00 0.00 175.30 173.78 1vb7 s LEU 83 N 1.38 0.89 -0.22 -0.88 1.43 -0.34 0.19 118.68 121.13 1vb7 s LEU 83 Ca 0.51 -0.14 -0.24 0.00 -1.03 0.00 0.00 54.13 53.23 1vb7 s LEU 83 Cb -0.21 -0.54 -0.01 0.00 0.03 0.00 0.00 46.19 45.46 1vb7 s LEU 83 CO 0.25 -0.14 0.77 -1.58 0.23 0.00 0.00 176.35 175.87 1vb7 s GLN 84 N 1.68 4.21 -0.08 1.70 0.74 -1.09 -0.67 119.66 126.14 1vb7 s GLN 84 Ca 0.01 0.86 -0.01 0.00 0.05 0.00 0.00 55.36 56.27 1vb7 s GLN 84 Cb -0.13 -3.62 -0.03 0.00 1.10 0.00 0.00 33.01 30.33 1vb7 s GLN 84 CO -0.05 -0.41 -0.03 -0.51 -0.55 0.00 0.00 175.29 173.75 1vb7 s LEU 85 N 2.47 3.40 -0.55 3.68 1.43 0.47 0.21 118.68 129.79 1vb7 s LEU 85 Ca 0.34 0.06 -0.18 0.00 -1.03 0.00 0.00 54.13 53.32 1vb7 s LEU 85 Cb -0.16 -1.77 0.10 0.00 0.03 0.00 0.00 46.19 44.40 1vb7 s LEU 85 CO 0.09 0.36 0.59 -0.62 0.23 0.00 0.00 176.35 177.00 1vb7 s ASP 86 N -0.75 6.19 -0.39 2.29 -1.08 0.11 0.66 116.67 123.69 1vb7 s ASP 86 Ca 0.12 -1.48 -0.07 0.00 -0.52 0.00 0.00 52.55 50.59 1vb7 s ASP 86 Cb -0.11 -2.26 0.07 0.00 -1.46 0.00 0.00 42.92 39.16 1vb7 s ASP 86 CO 0.02 -0.95 0.20 -0.60 0.52 0.00 0.00 175.17 174.36 1vb7 s ARG 87 N 2.19 2.53 -0.49 4.34 3.52 -1.26 -4.20 118.95 125.58 1vb7 s ARG 87 Ca 0.08 -1.40 0.05 0.00 -0.13 0.00 0.00 55.73 54.33 1vb7 s ARG 87 Cb -0.26 -3.64 0.18 0.00 -1.56 0.00 0.00 34.95 29.68 1vb7 s ARG 87 CO 0.06 -0.86 0.42 0.45 -0.81 0.00 0.00 175.30 174.55 1vb7 n SER 88 N 4.84 0.66 -3.68 -2.12 2.88 -1.26 -4.16 113.62 110.77 1vb7 n SER 88 Ca -0.10 -2.67 -0.03 0.00 -1.33 0.00 0.00 58.87 54.74 1vb7 n SER 88 Cb 0.43 -0.62 -0.01 0.00 -0.75 0.00 0.00 64.21 63.27 1vb7 n SER 88 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1vb7 s SER 89 N -0.58 -0.14 0.15 -3.46 0.01 -1.26 -5.19 113.70 103.23 1vb7 s SER 89 Ca 0.32 -0.46 0.05 0.00 1.31 0.00 0.00 55.95 57.16 1vb7 s SER 89 Cb 0.04 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.72 1vb7 s SER 89 CO -0.17 -0.93 -0.10 -0.83 0.41 0.00 0.00 173.24 171.62 1vb7 s GLY 90 N -3.01 1.10 0.84 3.44 0.00 -1.26 -5.15 107.32 103.28 1vb7 s GLY 90 Ca 0.14 -1.51 -0.12 0.00 0.00 0.00 0.00 44.72 43.23 1vb7 s GLY 90 CO 0.03 -1.61 1.11 2.56 0.00 0.00 0.00 173.10 175.20 1vb7 s PRO 91 N -3.74 1.72 -0.06 2.90 0.04 -1.26 -5.07 135.00 129.52 1vb7 s PRO 91 Ca 0.17 0.50 0.02 0.00 0.04 0.00 0.00 61.00 61.74 1vb7 s PRO 91 Cb 0.02 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.69 1vb7 s PRO 91 CO 0.01 -1.84 -0.13 -1.12 0.04 0.00 0.00 177.00 173.96 1vb7 s SER 92 N -3.95 1.82 0.12 6.66 0.01 -1.26 -5.11 113.70 111.98 1vb7 s SER 92 Ca 0.62 -0.31 -0.31 0.00 1.31 0.00 0.00 55.95 57.26 1vb7 s SER 92 Cb -0.15 -0.80 -0.08 0.00 0.21 0.00 0.00 66.02 65.21 1vb7 s SER 92 CO 0.54 0.05 1.37 -0.55 0.41 0.00 0.00 173.24 175.06 1vb7 s SER 93 N 0.58 6.84 0.00 2.44 0.15 -1.26 -5.38 113.70 117.07 1vb7 s SER 93 Ca -0.13 2.32 0.00 0.00 0.70 0.00 0.00 55.95 58.83 1vb7 s SER 93 Cb -0.15 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 1vb7 s SER 93 CO 0.04 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.45