#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v31 s SER 2 N 0.00 6.56 0.16 1.61 0.15 -1.26 -5.09 113.70 115.82 1v31 s SER 2 Ca 0.00 0.69 -0.16 0.00 0.70 0.00 0.00 55.95 57.17 1v31 s SER 2 Cb 0.00 -2.13 0.03 0.00 -1.71 0.00 0.00 66.02 62.21 1v31 s SER 2 CO 0.00 0.10 0.45 -0.44 1.20 0.00 0.00 173.24 174.56 1v31 s SER 3 N -2.12 -0.24 0.42 5.45 0.01 -1.26 -5.17 113.70 110.79 1v31 s SER 3 Ca 0.37 -0.41 -0.08 0.00 1.31 0.00 0.00 55.95 57.14 1v31 s SER 3 Cb -0.13 0.52 -0.05 0.00 0.21 0.00 0.00 66.02 66.57 1v31 s SER 3 CO 0.21 -0.95 0.75 -0.83 0.41 0.00 0.00 173.24 172.83 1v31 s GLY 4 N -2.84 1.78 0.00 3.44 0.00 -1.26 -5.07 107.32 103.37 1v31 s GLY 4 Ca 0.07 -0.35 0.00 0.00 0.00 0.00 0.00 44.72 44.44 1v31 s GLY 4 CO -0.07 -0.18 0.00 -1.26 0.00 0.00 0.00 173.10 171.59 1v31 n SER 5 N -1.58 0.00 -0.02 1.64 2.88 -1.26 -5.06 113.62 110.22 1v31 n SER 5 Ca 0.01 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.42 1v31 n SER 5 Cb 0.54 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.91 1v31 n SER 5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1v31 h SER 6 N 0.00 -1.57 -3.90 -3.46 0.87 -2.06 -3.42 113.55 100.00 1v31 h SER 6 Ca 0.00 0.19 -0.46 0.00 -1.23 0.00 0.00 61.79 60.29 1v31 h SER 6 Cb 0.00 0.62 0.16 0.00 -0.44 0.00 0.00 62.40 62.73 1v31 h SER 6 CO 0.00 -0.43 0.20 -0.83 -0.53 0.00 0.00 176.83 175.24 1v31 s GLY 7 N -2.16 1.57 0.79 5.77 0.00 -1.26 -4.98 107.32 107.06 1v31 s GLY 7 Ca -0.14 -0.31 -0.15 0.00 0.00 0.00 0.00 44.72 44.13 1v31 s GLY 7 CO 0.55 0.29 0.84 3.33 0.00 0.00 0.00 173.10 178.11 1v31 n VAL 8 N -4.14 1.79 -2.54 1.40 0.24 -1.26 -4.94 118.33 108.88 1v31 n VAL 8 Ca 0.05 -0.29 -0.36 0.00 -2.04 0.00 0.00 64.34 61.71 1v31 n VAL 8 Cb 0.57 -0.96 -0.04 0.00 -1.47 0.00 0.00 33.84 31.94 1v31 n VAL 8 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 1v31 s PRO 9 N -3.50 4.04 -0.46 7.34 0.04 -1.26 -4.87 135.00 136.32 1v31 s PRO 9 Ca 0.68 1.46 -0.42 0.00 0.04 0.00 0.00 61.00 62.77 1v31 s PRO 9 Cb -0.31 -2.39 -0.18 0.00 0.04 0.00 0.00 34.50 31.66 1v31 s PRO 9 CO 0.55 -0.24 1.60 -1.91 0.04 0.00 0.00 177.00 177.04 1v31 n GLU 10 N -0.38 0.00 -2.04 4.56 2.13 -1.26 -4.74 120.64 118.91 1v31 n GLU 10 Ca 0.06 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.81 1v31 n GLU 10 Cb 0.51 -1.37 0.01 0.00 0.27 0.00 0.00 31.44 30.85 1v31 n GLU 10 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1v31 n LYS 11 N 4.53 1.12 -3.70 5.31 2.85 -1.26 -4.13 118.16 122.88 1v31 n LYS 11 Ca 0.34 -1.06 -0.14 0.00 -1.05 0.00 0.00 58.31 56.41 1v31 n LYS 11 Cb -0.05 0.05 -0.09 0.00 -0.65 0.00 0.00 35.03 34.30 1v31 n LYS 11 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1v31 s PHE 12 N -0.62 -0.41 0.47 5.58 0.40 -0.65 -4.72 117.98 118.02 1v31 s PHE 12 Ca 0.13 0.84 -0.21 0.00 -0.60 0.00 0.00 56.93 57.09 1v31 s PHE 12 Cb -0.01 0.19 -0.09 0.00 0.51 0.00 0.00 43.02 43.62 1v31 s PHE 12 CO 0.08 -0.37 1.04 0.21 0.70 0.00 0.00 175.22 176.89 1v31 s LYS 13 N -0.64 3.87 -0.01 0.44 2.20 0.52 -1.89 119.74 124.23 1v31 s LYS 13 Ca -0.07 1.40 -0.08 0.00 -0.36 0.00 0.00 55.97 56.85 1v31 s LYS 13 Cb -0.03 -2.18 -0.05 0.00 -1.51 0.00 0.00 37.83 34.05 1v31 s LYS 13 CO 0.04 -0.38 0.28 -0.51 -0.36 0.00 0.00 175.35 174.42 1v31 s LEU 14 N -3.32 4.39 0.93 5.43 1.02 0.89 -2.91 118.68 125.11 1v31 s LEU 14 Ca 0.65 0.64 -0.13 0.00 0.02 0.00 0.00 54.13 55.32 1v31 s LEU 14 Cb -0.18 -2.58 0.15 0.00 0.02 0.00 0.00 46.19 43.60 1v31 s LEU 14 CO 0.22 0.28 1.14 -0.44 0.02 0.00 0.00 176.35 177.57 1v31 s SER 15 N -1.48 3.32 0.57 2.29 0.01 -1.26 -4.61 113.70 112.54 1v31 s SER 15 Ca 0.25 0.96 0.26 0.00 1.31 0.00 0.00 55.95 58.73 1v31 s SER 15 Cb -0.14 -1.52 1.62 0.00 0.21 0.00 0.00 66.02 66.20 1v31 s SER 15 CO 0.14 -2.67 2.17 0.74 0.41 0.00 0.00 173.24 174.03 1v31 h THR 16 N -1.58 0.63 0.06 1.44 2.02 -1.98 1.56 112.91 115.05 1v31 h THR 16 Ca -0.51 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 66.45 1v31 h THR 16 Cb 1.33 0.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.66 1v31 h THR 16 CO 0.60 0.00 -1.19 0.00 0.37 0.00 0.00 175.52 175.30 1v31 h ALA 17 N 1.91 0.20 0.00 6.16 0.00 -1.97 -3.30 119.26 122.26 1v31 h ALA 17 Ca 0.04 -1.07 -0.02 0.00 0.00 0.00 0.00 54.91 53.86 1v31 h ALA 17 Cb 0.22 0.53 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1v31 h ALA 17 CO -0.00 0.69 -0.09 1.25 0.00 0.00 0.00 179.25 181.10 1v31 h LEU 18 N -0.64 0.00 0.00 0.00 5.85 -1.73 -0.74 115.31 118.06 1v31 h LEU 18 Ca -0.29 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.43 1v31 h LEU 18 Cb 1.50 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.53 1v31 h LEU 18 CO -0.05 0.09 0.00 0.23 -0.34 0.00 0.00 178.44 178.37 1v31 n MET 19 N -3.34 0.11 0.00 1.25 2.81 0.53 -2.54 117.12 115.95 1v31 n MET 19 Ca -0.01 0.06 0.03 0.00 -1.81 0.00 0.00 57.70 55.97 1v31 n MET 19 Cb 0.28 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.30 1v31 n MET 19 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1v31 n ASP 20 N -1.43 1.24 0.01 7.83 -0.08 -0.34 -3.12 116.55 120.66 1v31 n ASP 20 Ca 0.08 -1.12 0.01 0.00 -1.51 0.00 0.00 54.79 52.25 1v31 n ASP 20 Cb 0.27 0.22 -0.10 0.00 2.34 0.00 0.00 41.12 43.85 1v31 n ASP 20 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1v31 n VAL 21 N 0.03 0.98 0.05 5.18 0.31 -0.85 -4.73 118.33 119.31 1v31 n VAL 21 Ca 0.03 -0.67 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 1v31 n VAL 21 Cb 0.14 -0.54 0.00 0.00 -0.91 0.00 0.00 33.84 32.53 1v31 n VAL 21 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1v31 n LEU 22 N -2.75 0.43 0.00 7.52 4.77 -1.14 -4.96 117.00 120.87 1v31 n LEU 22 Ca -0.12 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1v31 n LEU 22 Cb 0.82 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 1v31 n LEU 22 CO 0.43 -0.55 0.00 0.61 -1.33 0.00 0.00 177.39 176.55 1v31 n GLY 23 N 2.71 1.49 3.85 -0.72 0.00 -1.18 -5.09 105.19 106.24 1v31 n GLY 23 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1v31 n GLY 23 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1v31 s ILE 24 N -2.00 4.77 -0.10 -0.61 -4.36 -1.26 -5.02 121.20 112.63 1v31 s ILE 24 Ca 0.00 -0.92 0.19 0.00 -0.26 0.00 0.00 60.65 59.66 1v31 s ILE 24 Cb 0.00 -3.43 -0.29 0.00 1.25 0.00 0.00 42.46 39.99 1v31 s ILE 24 CO 0.00 -0.08 0.29 1.21 0.24 0.00 0.00 174.94 176.60 1v31 n GLU 25 N -0.34 0.73 -3.50 0.37 2.13 -1.26 -4.44 120.64 114.32 1v31 n GLU 25 Ca -0.08 -0.11 -0.00 0.00 0.66 0.00 0.00 57.16 57.63 1v31 n GLU 25 Cb 0.54 -1.49 -0.05 0.00 0.27 0.00 0.00 31.44 30.71 1v31 n GLU 25 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1v31 s VAL 26 N -3.03 -0.49 0.08 6.31 0.11 -1.26 -0.08 120.40 122.04 1v31 s VAL 26 Ca -0.08 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 58.94 1v31 s VAL 26 Cb 0.10 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.92 1v31 s VAL 26 CO 0.83 0.00 0.03 -0.70 -3.33 0.00 0.00 175.10 171.93 1v31 s GLU 27 N 2.31 0.73 0.00 1.54 2.56 -0.79 -4.88 118.70 120.17 1v31 s GLU 27 Ca -0.05 -1.24 0.00 0.00 0.00 0.00 0.00 54.97 53.69 1v31 s GLU 27 Cb -0.07 0.24 0.00 0.00 2.00 0.00 0.00 34.13 36.30 1v31 s GLU 27 CO -0.17 -0.18 0.00 0.25 -0.56 0.00 0.00 175.26 174.60 1v31 n THR 28 N 0.03 0.00 0.02 -1.70 -2.24 -1.26 -1.64 114.28 107.49 1v31 n THR 28 Ca -0.12 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.45 1v31 n THR 28 Cb 0.62 0.00 -0.14 0.00 -2.10 0.00 0.00 70.33 68.71 1v31 n THR 28 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1v31 h ARG 29 N 0.00 0.26 0.01 -0.78 2.43 -1.89 -3.29 114.38 111.12 1v31 h ARG 29 Ca 0.00 -0.45 -0.00 0.00 -0.81 0.00 0.00 59.98 58.72 1v31 h ARG 29 Cb 0.00 0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1v31 h ARG 29 CO 0.00 1.21 -0.01 -1.00 -1.51 0.00 0.00 179.97 178.67 1v31 h PRO 30 N -0.33 -0.02 -0.86 0.20 0.13 -1.95 -2.81 132.00 126.36 1v31 h PRO 30 Ca -0.25 0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.03 1v31 h PRO 30 Cb 1.72 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.70 1v31 h PRO 30 CO 0.09 0.70 -0.29 0.00 -0.23 0.00 0.00 178.00 178.26 1v31 h ARG 31 N -0.77 -0.03 0.40 0.86 3.08 -1.93 1.10 114.38 117.09 1v31 h ARG 31 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1v31 h ARG 31 Cb 0.72 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1v31 h ARG 31 CO 0.00 -0.02 -0.19 0.82 -1.07 0.00 0.00 179.97 179.51 1v31 h ILE 32 N -0.03 0.00 -0.95 2.04 2.04 -1.65 1.49 117.51 120.44 1v31 h ILE 32 Ca 0.36 -0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.43 1v31 h ILE 32 Cb 0.61 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.51 1v31 h ILE 32 CO -0.89 0.00 -0.18 0.40 0.00 0.00 0.00 178.15 177.48 1v31 h ILE 33 N -0.53 0.05 -0.14 -0.67 2.04 -1.01 0.86 117.51 118.11 1v31 h ILE 33 Ca -0.05 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.79 1v31 h ILE 33 Cb 0.41 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.53 1v31 h ILE 33 CO 0.09 0.00 0.04 0.00 0.00 0.00 0.00 178.15 178.28 1v31 h ALA 34 N 1.95 0.19 -1.19 1.87 0.00 0.14 -1.01 119.26 121.22 1v31 h ALA 34 Ca 0.48 -0.14 0.34 0.00 0.00 0.00 0.00 54.91 55.60 1v31 h ALA 34 Cb 0.80 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 1v31 h ALA 34 CO -0.96 -0.18 0.95 0.00 0.00 0.00 0.00 179.25 179.06 1v31 h ALA 35 N 0.84 3.08 0.12 0.00 0.00 0.92 1.73 119.26 125.96 1v31 h ALA 35 Ca 0.04 -0.04 -0.33 0.00 0.00 0.00 0.00 54.91 54.59 1v31 h ALA 35 Cb 0.25 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1v31 h ALA 35 CO 0.00 -1.56 -1.68 0.82 0.00 0.00 0.00 179.25 176.83 1v31 h ILE 36 N 0.00 0.98 -0.03 0.00 2.04 -0.23 -2.28 117.51 118.00 1v31 h ILE 36 Ca 0.56 -2.65 -0.00 0.00 1.00 0.00 0.00 64.86 63.78 1v31 h ILE 36 Cb 2.46 2.69 -0.00 0.00 -0.74 0.00 0.00 36.82 41.22 1v31 h ILE 36 CO -0.01 0.81 0.01 -0.50 0.00 0.00 0.00 178.15 178.47 1v31 h TRP 37 N 0.07 0.04 0.64 1.37 4.06 0.35 0.25 115.95 122.73 1v31 h TRP 37 Ca -0.30 -0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.62 1v31 h TRP 37 Cb 2.04 -0.01 0.01 0.00 -1.00 0.00 0.00 29.16 30.19 1v31 h TRP 37 CO 0.07 0.12 -0.31 1.25 -3.56 0.00 0.00 178.44 176.02 1v31 h HIS 38 N -0.06 -0.79 -0.39 0.49 -0.00 0.09 -2.21 115.15 112.28 1v31 h HIS 38 Ca 0.01 -0.02 0.06 0.00 -0.00 0.00 0.00 60.37 60.42 1v31 h HIS 38 Cb 0.10 0.26 -0.09 0.00 -0.00 0.00 0.00 27.41 27.69 1v31 h HIS 38 CO -0.04 -0.45 -0.46 -0.92 -0.00 0.00 0.00 177.93 176.05 1v31 h TYR 39 N -1.02 -1.36 -0.26 5.26 3.20 -1.36 1.10 116.97 122.52 1v31 h TYR 39 Ca -0.09 0.07 0.03 0.00 3.14 0.00 0.00 58.73 61.88 1v31 h TYR 39 Cb 0.70 0.65 -0.05 0.00 1.54 0.00 0.00 36.73 39.57 1v31 h TYR 39 CO -0.01 -0.46 -0.33 0.28 -1.64 0.00 0.00 178.16 176.00 1v31 h VAL 40 N -0.36 0.00 -0.19 1.81 2.07 -0.50 1.35 116.25 120.43 1v31 h VAL 40 Ca 0.12 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.69 1v31 h VAL 40 Cb 0.59 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.30 1v31 h VAL 40 CO -0.57 0.00 -0.26 0.11 0.02 0.00 0.00 177.57 176.87 1v31 h LYS 41 N -0.23 -0.29 -0.62 1.57 1.57 -0.73 0.78 116.57 118.62 1v31 h LYS 41 Ca 0.05 0.02 0.18 0.00 -1.87 0.00 0.00 60.65 59.02 1v31 h LYS 41 Cb 0.35 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.70 1v31 h LYS 41 CO -0.37 -0.19 0.51 0.00 -0.57 0.00 0.00 179.45 178.83 1v31 h ALA 42 N 0.66 2.48 -0.58 3.86 0.00 0.25 1.44 119.26 127.37 1v31 h ALA 42 Ca 0.12 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1v31 h ALA 42 Cb 0.48 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1v31 h ALA 42 CO -0.36 -0.83 0.08 0.54 0.00 0.00 0.00 179.25 178.68 1v31 n ARG 43 N -4.06 4.24 -3.26 0.00 5.12 0.45 -4.90 116.66 114.25 1v31 n ARG 43 Ca 0.12 -3.11 -0.18 0.00 -1.93 0.00 0.00 57.85 52.75 1v31 n ARG 43 Cb 0.75 -2.19 -0.02 0.00 -1.16 0.00 0.00 32.46 29.83 1v31 n ARG 43 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1v31 n LYS 44 N 0.20 -2.35 0.12 5.56 2.85 0.49 -4.72 118.16 120.31 1v31 n LYS 44 Ca 0.31 0.17 0.13 0.00 -1.05 0.00 0.00 58.31 57.86 1v31 n LYS 44 Cb 1.22 -4.73 0.31 0.00 -0.65 0.00 0.00 35.03 31.17 1v31 n LYS 44 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 177.40 177.28 1v31 h LEU 45 N -0.44 0.00 -9.66 -5.58 3.38 0.10 -3.47 115.31 99.65 1v31 h LEU 45 Ca -0.27 -0.03 -0.58 0.00 0.09 0.00 0.00 57.88 57.09 1v31 h LEU 45 Cb 1.18 0.00 0.17 0.00 0.09 0.00 0.00 40.66 42.10 1v31 h LEU 45 CO 0.38 0.01 -0.16 1.67 0.09 0.00 0.00 178.44 180.44 1v31 n GLN 46 N -2.43 0.67 -3.83 1.13 7.27 -1.25 0.16 117.38 119.10 1v31 n GLN 46 Ca 0.05 0.26 -0.35 0.00 0.07 0.00 0.00 57.00 57.03 1v31 n GLN 46 Cb 0.46 -1.91 -0.10 0.00 2.41 0.00 0.00 30.24 31.09 1v31 n GLN 46 CO 0.00 0.00 0.00 -0.80 0.07 0.00 0.00 177.06 176.33 1v31 s ASN 47 N -1.22 5.81 0.18 1.69 -0.87 -1.23 -4.58 114.94 114.72 1v31 s ASN 47 Ca 0.72 0.08 0.03 0.00 -1.57 0.00 0.00 52.86 52.12 1v31 s ASN 47 Cb -0.43 -2.02 0.05 0.00 -0.02 0.00 0.00 41.25 38.83 1v31 s ASN 47 CO 0.51 0.12 1.42 1.55 -2.57 0.00 0.00 177.10 178.12 1v31 h PRO 48 N 7.12 0.22 0.49 -0.60 0.13 -1.93 -3.31 132.00 134.12 1v31 h PRO 48 Ca -0.38 -0.21 -0.02 0.00 -0.87 0.00 0.00 66.00 64.51 1v31 h PRO 48 Cb 1.17 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.36 1v31 h PRO 48 CO 0.68 0.91 -0.23 -0.91 -0.23 0.00 0.00 178.00 178.22 1v31 h ASN 49 N 0.13 -0.56 -3.57 1.44 2.35 -1.98 -3.42 115.58 109.99 1v31 h ASN 49 Ca -0.04 -0.01 -0.67 0.00 -0.55 0.00 0.00 56.30 55.03 1v31 h ASN 49 Cb 1.40 0.14 -0.29 0.00 0.05 0.00 0.00 38.32 39.63 1v31 h ASN 49 CO 0.12 -0.14 -0.68 -1.81 -1.65 0.00 0.00 177.43 173.28 1v31 s ASP 50 N -4.81 4.76 0.37 5.81 1.01 -1.25 -4.96 116.67 117.60 1v31 s ASP 50 Ca -0.11 -0.79 0.27 0.00 0.71 0.00 0.00 52.55 52.63 1v31 s ASP 50 Cb 0.01 -1.78 0.88 0.00 1.01 0.00 0.00 42.92 43.04 1v31 s ASP 50 CO 0.33 -0.16 1.77 1.55 0.21 0.00 0.00 175.17 178.88 1v31 h PRO 51 N 8.13 0.00 0.00 8.23 0.13 -1.82 -2.59 132.00 144.07 1v31 h PRO 51 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 1v31 h PRO 51 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1v31 h PRO 51 CO 0.59 0.00 -0.37 0.43 -0.23 0.00 0.00 178.00 178.42 1v31 n SER 52 N -2.68 0.51 -4.85 1.44 7.64 -1.26 -4.86 113.62 109.56 1v31 n SER 52 Ca 0.03 0.15 -0.27 0.00 1.01 0.00 0.00 58.87 59.79 1v31 n SER 52 Cb 0.37 -0.08 -0.03 0.00 -1.01 0.00 0.00 64.21 63.46 1v31 n SER 52 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1v31 s PHE 53 N -3.07 1.86 0.02 1.43 0.08 -0.98 0.19 117.98 117.51 1v31 s PHE 53 Ca 0.10 -0.81 -0.28 0.00 0.12 0.00 0.00 56.93 56.06 1v31 s PHE 53 Cb 0.16 -1.88 0.08 0.00 -0.57 0.00 0.00 43.02 40.81 1v31 s PHE 53 CO 0.66 -0.23 0.68 -0.59 -0.10 0.00 0.00 175.22 175.64 1v31 s PHE 54 N -2.75 -0.58 0.21 0.36 -0.12 0.09 -3.47 117.98 111.71 1v31 s PHE 54 Ca 0.30 0.76 -0.30 0.00 -0.05 0.00 0.00 56.93 57.64 1v31 s PHE 54 Cb -0.01 0.47 -0.08 0.00 -0.63 0.00 0.00 43.02 42.78 1v31 s PHE 54 CO 0.18 -0.68 1.04 -0.80 -0.05 0.00 0.00 175.22 174.92 1v31 s ASN 55 N -1.82 7.39 -0.31 1.98 0.01 0.43 -1.91 114.94 120.70 1v31 s ASN 55 Ca -0.05 2.06 -0.12 0.00 -0.71 0.00 0.00 52.86 54.04 1v31 s ASN 55 Cb -0.00 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 39.02 1v31 s ASN 55 CO 0.00 -0.09 0.21 0.00 -1.51 0.00 0.00 177.10 175.71 1v31 n ASP 57 N 5.08 -1.35 0.21 0.00 8.00 -1.26 -4.62 116.55 122.60 1v31 n ASP 57 Ca -0.13 -0.92 0.06 0.00 0.71 0.00 0.00 54.79 54.51 1v31 n ASP 57 Cb 0.51 -0.54 0.55 0.00 -0.02 0.00 0.00 41.12 41.62 1v31 n ASP 57 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1v31 h ALA 58 N -2.32 1.84 0.04 2.24 0.00 -1.99 0.06 119.26 119.13 1v31 h ALA 58 Ca -0.22 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1v31 h ALA 58 Cb 0.67 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1v31 h ALA 58 CO 0.15 0.13 -0.02 0.00 0.00 0.00 0.00 179.25 179.50 1v31 h ALA 59 N 1.89 -0.06 -0.62 0.00 0.00 -1.96 -3.14 119.26 115.37 1v31 h ALA 59 Ca 0.02 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.09 1v31 h ALA 59 Cb 0.11 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 1v31 h ALA 59 CO 0.00 -0.05 0.75 -0.07 0.00 0.00 0.00 179.25 179.89 1v31 h LEU 60 N -1.01 0.00 0.20 0.00 3.38 -1.85 -0.73 115.31 115.29 1v31 h LEU 60 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1v31 h LEU 60 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1v31 h LEU 60 CO 0.01 0.00 -0.10 1.56 0.09 0.00 0.00 178.44 180.00 1v31 h GLN 61 N 0.00 -0.26 -1.99 1.13 1.08 -1.02 -0.12 115.11 113.93 1v31 h GLN 61 Ca 0.30 0.02 0.58 0.00 -1.45 0.00 0.00 58.65 58.09 1v31 h GLN 61 Cb 1.80 0.06 -0.08 0.00 -0.05 0.00 0.00 27.48 29.21 1v31 h GLN 61 CO -0.00 -0.17 1.44 1.63 -0.95 0.00 0.00 178.83 180.77 1v31 n LYS 62 N -3.04 0.00 0.01 1.46 5.02 -0.31 0.18 118.16 121.49 1v31 n LYS 62 Ca -0.03 1.09 -0.01 0.00 -2.02 0.00 0.00 58.31 57.34 1v31 n LYS 62 Cb 0.11 -2.52 -0.00 0.00 -0.02 0.00 0.00 35.03 32.60 1v31 n LYS 62 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1v31 h VAL 63 N 0.00 0.00 0.00 -0.18 2.07 -1.31 -3.43 116.25 113.40 1v31 h VAL 63 Ca 0.94 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 68.35 1v31 h VAL 63 Cb 3.81 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.58 1v31 h VAL 63 CO -0.01 0.00 -0.02 -0.26 0.02 0.00 0.00 177.57 177.30 1v31 h PHE 64 N -0.17 0.00 0.00 1.57 0.04 0.13 -3.49 116.94 115.01 1v31 h PHE 64 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1v31 h PHE 64 Cb 0.04 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1v31 h PHE 64 CO 0.05 0.00 0.00 0.41 -0.60 0.00 0.00 178.31 178.17 1v31 n GLY 65 N 1.87 1.20 3.56 -1.45 0.00 0.49 -5.02 105.19 105.84 1v31 n GLY 65 Ca -0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1v31 n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v31 s GLU 66 N -0.50 2.00 0.09 1.61 2.02 -1.26 -5.02 118.70 117.63 1v31 s GLU 66 Ca 0.00 -1.58 -0.21 0.00 0.02 0.00 0.00 54.97 53.20 1v31 s GLU 66 Cb 0.00 -1.98 -0.11 0.00 0.10 0.00 0.00 34.13 32.14 1v31 s GLU 66 CO 0.00 0.35 1.64 1.05 0.02 0.00 0.00 175.26 178.33 1v31 h GLU 67 N 2.10 0.19 -4.49 1.61 4.11 -1.95 -3.42 114.58 112.73 1v31 h GLU 67 Ca -0.42 -0.03 -0.20 0.00 0.07 0.00 0.00 59.36 58.78 1v31 h GLU 67 Cb 1.25 -0.03 -0.15 0.00 0.50 0.00 0.00 28.75 30.32 1v31 h GLU 67 CO 0.60 0.26 -0.66 -1.59 0.07 0.00 0.00 179.01 177.68 1v31 s LYS 68 N -5.68 0.89 0.16 1.06 -2.85 -1.26 0.62 119.74 112.70 1v31 s LYS 68 Ca -0.14 -1.41 -0.09 0.00 -1.00 0.00 0.00 55.97 53.34 1v31 s LYS 68 Cb 0.07 0.09 -0.01 0.00 -2.06 0.00 0.00 37.83 35.91 1v31 s LYS 68 CO 0.69 -0.18 0.28 -1.17 0.10 0.00 0.00 175.35 175.07 1v31 s LEU 69 N -3.05 0.97 0.02 2.77 0.20 -0.80 -4.93 118.68 113.86 1v31 s LEU 69 Ca 0.20 -0.88 -0.25 0.00 0.69 0.00 0.00 54.13 53.88 1v31 s LEU 69 Cb 0.07 1.17 -0.05 0.00 -0.43 0.00 0.00 46.19 46.95 1v31 s LEU 69 CO -0.01 -0.89 0.75 -0.54 -0.29 0.00 0.00 176.35 175.37 1v31 s LYS 70 N -3.97 4.48 0.67 1.98 1.02 -1.26 -0.74 119.74 121.91 1v31 s LYS 70 Ca 0.18 1.02 0.35 0.00 0.02 0.00 0.00 55.97 57.54 1v31 s LYS 70 Cb 0.03 -3.38 1.89 0.00 -0.52 0.00 0.00 37.83 35.85 1v31 s LYS 70 CO 0.00 0.22 2.07 0.74 -0.92 0.00 0.00 175.35 177.46 1v31 h PHE 71 N 5.96 0.00 0.04 3.18 0.04 0.18 -0.95 116.94 125.38 1v31 h PHE 71 Ca -0.43 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.05 1v31 h PHE 71 Cb 1.20 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.32 1v31 h PHE 71 CO 0.65 0.00 -1.58 0.25 -0.60 0.00 0.00 178.31 177.03 1v31 n THR 72 N -2.96 1.60 0.26 -1.55 -2.24 -1.26 -4.06 114.28 104.08 1v31 n THR 72 Ca -0.02 -0.24 0.18 0.00 -2.27 0.00 0.00 64.05 61.70 1v31 n THR 72 Cb 0.28 -1.93 0.92 0.00 -2.10 0.00 0.00 70.33 67.50 1v31 n THR 72 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1v31 h MET 73 N -0.68 0.00 -0.99 -0.78 2.86 -1.58 -2.72 114.93 111.04 1v31 h MET 73 Ca -0.40 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.36 1v31 h MET 73 Cb 1.54 0.00 -0.14 0.00 0.06 0.00 0.00 31.60 33.07 1v31 h MET 73 CO -0.14 0.00 -0.50 0.28 1.06 0.00 0.00 176.91 177.61 1v31 n VAL 74 N -3.47 -0.61 -0.13 -2.22 0.31 -0.48 0.34 118.33 112.07 1v31 n VAL 74 Ca -0.00 2.35 -0.08 0.00 -0.01 0.00 0.00 64.34 66.60 1v31 n VAL 74 Cb 0.27 -2.99 -0.02 0.00 -0.91 0.00 0.00 33.84 30.19 1v31 n VAL 74 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 1v31 h SER 75 N 0.00 -1.14 0.00 4.52 0.87 -1.75 1.93 113.55 117.98 1v31 h SER 75 Ca 0.24 0.20 0.00 0.00 -1.23 0.00 0.00 61.79 60.99 1v31 h SER 75 Cb 0.48 0.53 0.00 0.00 -0.44 0.00 0.00 62.40 62.97 1v31 h SER 75 CO -0.95 -0.33 0.14 -0.61 -0.53 0.00 0.00 176.83 174.56 1v31 h GLN 76 N -0.26 0.00 0.00 2.24 4.15 -0.28 0.19 115.11 121.15 1v31 h GLN 76 Ca 0.17 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.59 1v31 h GLN 76 Cb 0.55 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.24 1v31 h GLN 76 CO -0.56 0.00 0.00 1.63 -1.93 0.00 0.00 178.83 177.97 1v31 n LYS 77 N -2.83 0.00 -0.31 1.69 4.76 0.40 -4.28 118.16 117.60 1v31 n LYS 77 Ca -0.02 0.09 0.27 0.00 -2.87 0.00 0.00 58.31 55.78 1v31 n LYS 77 Cb 0.20 -0.50 0.50 0.00 -1.84 0.00 0.00 35.03 33.39 1v31 n LYS 77 CO 0.00 0.00 0.00 0.44 -1.37 0.00 0.00 177.40 176.47 1v31 n ILE 78 N -2.11 -0.39 -0.27 -0.18 -6.64 0.56 0.19 119.36 110.52 1v31 n ILE 78 Ca 0.00 1.94 0.06 0.00 -1.77 0.00 0.00 62.75 62.98 1v31 n ILE 78 Cb 0.00 -3.08 0.17 0.00 -1.44 0.00 0.00 39.64 35.29 1v31 n ILE 78 CO 0.00 0.00 0.00 0.28 -1.77 0.00 0.00 176.55 175.06 1v31 h SER 79 N 0.00 -0.40 -0.87 7.28 0.02 -0.77 1.76 113.55 120.57 1v31 h SER 79 Ca 0.76 0.21 0.22 0.00 -0.84 0.00 0.00 61.79 62.14 1v31 h SER 79 Cb 1.94 0.38 -0.05 0.00 0.14 0.00 0.00 62.40 64.80 1v31 h SER 79 CO -0.75 -0.21 0.60 -0.74 -1.14 0.00 0.00 176.83 174.58 1v31 h HIS 80 N 0.08 0.32 0.11 3.45 -0.00 0.20 0.12 115.15 119.44 1v31 h HIS 80 Ca 0.44 0.01 -0.33 0.00 -0.00 0.00 0.00 60.37 60.49 1v31 h HIS 80 Cb 0.79 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 28.09 1v31 h HIS 80 CO -0.45 0.08 -1.75 0.45 -0.00 0.00 0.00 177.93 176.26 1v31 h HIS 81 N 0.24 0.44 -1.50 5.26 3.86 0.21 -3.46 115.15 120.20 1v31 h HIS 81 Ca 0.44 -0.32 -0.74 0.00 -1.16 0.00 0.00 60.37 58.60 1v31 h HIS 81 Cb 1.34 -0.02 0.01 0.00 1.06 0.00 0.00 27.41 29.81 1v31 h HIS 81 CO -0.00 1.50 0.94 1.28 0.86 0.00 0.00 177.93 182.51 1v31 n LEU 82 N -3.42 2.37 -4.31 2.43 4.77 0.32 -4.65 117.00 114.51 1v31 n LEU 82 Ca -0.23 1.04 -0.16 0.00 -0.03 0.00 0.00 56.01 56.63 1v31 n LEU 82 Cb 1.05 -1.14 -0.10 0.00 -2.33 0.00 0.00 43.42 40.90 1v31 n LEU 82 CO 0.47 -0.44 -0.36 -0.44 -1.33 0.00 0.00 177.39 175.30 1v31 s SER 83 N 3.80 1.86 -0.06 -1.43 0.01 -1.15 -4.91 113.70 111.82 1v31 s SER 83 Ca 0.99 -1.15 -0.30 0.00 1.31 0.00 0.00 55.95 56.81 1v31 s SER 83 Cb -1.07 -0.00 -0.03 0.00 0.21 0.00 0.00 66.02 65.13 1v31 s SER 83 CO 0.65 -0.44 1.23 -2.16 0.41 0.00 0.00 173.24 172.93 1v31 s PRO 84 N -3.82 4.33 0.97 12.44 0.04 -1.26 0.19 135.00 147.90 1v31 s PRO 84 Ca 0.24 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.84 1v31 s PRO 84 Cb 0.04 -3.58 0.18 0.00 0.04 0.00 0.00 34.50 31.18 1v31 s PRO 84 CO 0.06 -0.49 1.17 -1.25 0.04 0.00 0.00 177.00 176.53 1v31 s PRO 85 N 2.38 0.61 -0.33 0.56 0.04 -1.26 -4.68 135.00 132.31 1v31 s PRO 85 Ca 0.56 0.09 -0.29 0.00 0.04 0.00 0.00 61.00 61.41 1v31 s PRO 85 Cb -0.25 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1v31 s PRO 85 CO 0.21 -2.52 1.36 -1.25 0.04 0.00 0.00 177.00 174.85 1v31 s PRO 86 N -5.42 3.80 0.51 0.56 0.04 -1.26 -5.01 135.00 128.21 1v31 s PRO 86 Ca 0.67 1.19 -0.09 0.00 0.04 0.00 0.00 61.00 62.81 1v31 s PRO 86 Cb -0.12 -3.94 0.12 0.00 0.04 0.00 0.00 34.50 30.61 1v31 s PRO 86 CO 0.54 -1.28 0.56 -0.35 0.04 0.00 0.00 177.00 176.51 1v31 n PRO 87 N 7.58 -1.29 -2.54 0.56 -0.04 -1.26 -4.82 135.00 133.19 1v31 n PRO 87 Ca 0.16 -0.88 -0.03 0.00 -0.04 0.00 0.00 63.50 62.71 1v31 n PRO 87 Cb 0.47 -0.69 -0.02 0.00 -0.04 0.00 0.00 33.50 33.22 1v31 n PRO 87 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1v31 n SER 88 N -3.63 -4.23 -1.56 3.54 7.64 -1.26 -5.01 113.62 109.12 1v31 n SER 88 Ca 0.07 1.41 0.00 0.00 1.01 0.00 0.00 58.87 61.36 1v31 n SER 88 Cb 0.27 -4.23 0.00 0.00 -1.01 0.00 0.00 64.21 59.23 1v31 n SER 88 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v31 n GLY 89 N 1.93 -1.73 3.75 0.23 0.00 -1.26 -4.94 105.19 103.18 1v31 n GLY 89 Ca -0.19 -1.10 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 1v31 n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v31 s PRO 90 N 0.00 4.65 -0.40 1.61 0.04 -1.26 -4.90 135.00 134.75 1v31 s PRO 90 Ca 0.00 1.76 -0.41 0.00 0.04 0.00 0.00 61.00 62.39 1v31 s PRO 90 Cb 0.00 -3.21 -0.16 0.00 0.04 0.00 0.00 34.50 31.17 1v31 s PRO 90 CO 0.00 0.21 1.99 0.45 0.04 0.00 0.00 177.00 179.69 1v31 n SER 91 N 1.45 1.64 0.29 6.66 2.88 -1.26 -4.84 113.62 120.44 1v31 n SER 91 Ca -0.00 0.76 -0.12 0.00 -1.33 0.00 0.00 58.87 58.18 1v31 n SER 91 Cb 0.45 -1.07 -0.06 0.00 -0.75 0.00 0.00 64.21 62.79 1v31 n SER 91 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1v31 h SER 92 N 9.06 -0.65 0.00 -3.46 0.87 -2.02 -3.57 113.55 113.79 1v31 h SER 92 Ca -0.29 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.30 1v31 h SER 92 Cb 1.36 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.49 1v31 h SER 92 CO 1.02 -0.36 0.00 0.61 -0.53 0.00 0.00 176.83 177.57