#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v31 n SER 2 N 0.00 -6.69 -1.02 1.61 2.88 -1.26 -4.78 113.62 104.35 1v31 n SER 2 Ca 0.00 0.98 0.13 0.00 -1.33 0.00 0.00 58.87 58.64 1v31 n SER 2 Cb 0.00 -3.49 -0.06 0.00 -0.75 0.00 0.00 64.21 59.90 1v31 n SER 2 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1v31 n SER 3 N 1.20 -5.76 0.00 -3.46 2.88 -1.26 -5.08 113.62 102.15 1v31 n SER 3 Ca -0.04 0.94 0.00 0.00 -1.33 0.00 0.00 58.87 58.44 1v31 n SER 3 Cb 0.26 -3.46 0.00 0.00 -0.75 0.00 0.00 64.21 60.27 1v31 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v31 n GLY 4 N -3.71 -0.74 2.06 0.46 0.00 -1.26 -5.09 105.19 96.92 1v31 n GLY 4 Ca -0.05 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.47 1v31 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1v31 n SER 5 N 0.00 -1.12 -2.94 1.61 3.41 -1.26 -5.10 113.62 108.21 1v31 n SER 5 Ca 0.00 0.29 -0.08 0.00 -0.26 0.00 0.00 58.87 58.82 1v31 n SER 5 Cb 0.00 1.29 0.01 0.00 -0.26 0.00 0.00 64.21 65.25 1v31 n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1v31 n SER 6 N -2.85 -7.77 -4.31 4.04 7.64 -1.26 -4.96 113.62 104.16 1v31 n SER 6 Ca 0.00 0.34 -0.30 0.00 1.01 0.00 0.00 58.87 59.92 1v31 n SER 6 Cb 0.00 -5.16 0.23 0.00 -1.01 0.00 0.00 64.21 58.26 1v31 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v31 n GLY 7 N -0.67 -2.40 3.45 0.23 0.00 -1.26 -4.90 105.19 99.65 1v31 n GLY 7 Ca 0.08 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.68 1v31 n GLY 7 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1v31 n VAL 8 N -4.84 1.55 -1.54 1.61 0.24 -1.26 -4.96 118.33 109.13 1v31 n VAL 8 Ca 0.02 -0.38 -0.29 0.00 -2.04 0.00 0.00 64.34 61.65 1v31 n VAL 8 Cb 0.57 -0.71 0.11 0.00 -1.47 0.00 0.00 33.84 32.35 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 -2.82 1.65 -0.09 7.34 0.04 -1.26 -5.07 135.00 134.79 1v31 s PRO 9 Ca 0.64 0.48 0.04 0.00 0.04 0.00 0.00 61.00 62.20 1v31 s PRO 9 Cb -0.33 -1.88 -0.00 0.00 0.04 0.00 0.00 34.50 32.32 1v31 s PRO 9 CO 0.59 -1.89 -0.23 -1.83 0.04 0.00 0.00 177.00 173.69 1v31 s GLU 10 N -5.21 2.98 0.51 4.56 -1.05 -1.26 -5.12 118.70 114.10 1v31 s GLU 10 Ca 0.62 -0.86 -0.10 0.00 -0.15 0.00 0.00 54.97 54.48 1v31 s GLU 10 Cb -0.15 -2.31 -0.05 0.00 -0.44 0.00 0.00 34.13 31.18 1v31 s GLU 10 CO 0.54 0.23 0.89 0.15 0.95 0.00 0.00 175.26 178.02 1v31 s LYS 11 N 0.22 3.69 -0.08 -4.83 1.02 -1.26 -4.77 119.74 113.73 1v31 s LYS 11 Ca -0.15 0.56 0.04 0.00 0.02 0.00 0.00 55.97 56.45 1v31 s LYS 11 Cb -0.17 -2.25 -0.01 0.00 -0.52 0.00 0.00 37.83 34.88 1v31 s LYS 11 CO 0.07 -0.28 -0.22 -0.06 -0.92 0.00 0.00 175.35 173.95 1v31 s PHE 12 N -2.76 2.55 0.27 3.18 0.08 0.47 -4.32 117.98 117.46 1v31 s PHE 12 Ca 0.53 -0.71 -0.30 0.00 0.12 0.00 0.00 56.93 56.56 1v31 s PHE 12 Cb -0.10 -1.66 -0.11 0.00 -0.57 0.00 0.00 43.02 40.58 1v31 s PHE 12 CO 0.42 -0.21 1.49 0.21 -0.10 0.00 0.00 175.22 177.03 1v31 s LYS 13 N -0.04 4.21 0.41 0.44 2.36 0.49 -2.56 119.74 125.05 1v31 s LYS 13 Ca -0.06 2.40 -0.12 0.00 -2.55 0.00 0.00 55.97 55.64 1v31 s LYS 13 Cb -0.15 -3.07 -0.07 0.00 -1.05 0.00 0.00 37.83 33.49 1v31 s LYS 13 CO 0.05 -0.49 0.80 -0.51 1.55 0.00 0.00 175.35 176.75 1v31 s LEU 14 N -0.49 3.84 0.70 5.43 1.02 -0.52 -2.69 118.68 125.96 1v31 s LEU 14 Ca 0.60 1.23 -0.11 0.00 0.02 0.00 0.00 54.13 55.88 1v31 s LEU 14 Cb -0.44 -4.11 0.02 0.00 0.02 0.00 0.00 46.19 41.68 1v31 s LEU 14 CO 0.46 -0.40 1.08 -0.44 0.02 0.00 0.00 176.35 177.07 1v31 s SER 15 N -2.99 5.33 0.40 2.29 0.01 -1.26 -4.78 113.70 112.70 1v31 s SER 15 Ca 0.53 1.01 0.07 0.00 1.31 0.00 0.00 55.95 58.87 1v31 s SER 15 Cb -0.10 -1.79 0.83 0.00 0.21 0.00 0.00 66.02 65.17 1v31 s SER 15 CO 0.29 -1.38 2.04 0.74 0.41 0.00 0.00 173.24 175.34 1v31 h THR 16 N -0.64 1.10 0.10 1.44 2.02 -1.98 1.01 112.91 115.96 1v31 h THR 16 Ca -0.45 -0.21 -0.24 0.00 0.77 0.00 0.00 66.41 66.28 1v31 h THR 16 Cb 1.27 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 1v31 h THR 16 CO 0.64 0.11 -1.23 0.00 0.37 0.00 0.00 175.52 175.40 1v31 h ALA 17 N 1.71 0.14 0.00 6.16 0.00 -1.94 -2.98 119.26 122.34 1v31 h ALA 17 Ca 0.18 -1.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.07 1v31 h ALA 17 Cb -0.02 0.42 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1v31 h ALA 17 CO -0.04 0.70 -0.07 1.25 0.00 0.00 0.00 179.25 181.09 1v31 h LEU 18 N -0.41 0.00 0.02 0.00 5.85 -1.79 0.24 115.31 119.22 1v31 h LEU 18 Ca -0.27 0.00 -0.26 0.00 0.84 0.00 0.00 57.88 58.19 1v31 h LEU 18 Cb 1.66 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.70 1v31 h LEU 18 CO 0.05 0.07 -1.15 0.24 -0.34 0.00 0.00 178.44 177.31 1v31 h MET 19 N 0.00 0.41 0.00 1.25 2.86 0.98 -2.96 114.93 117.47 1v31 h MET 19 Ca -0.00 -0.55 0.00 0.00 -2.06 0.00 0.00 59.70 57.08 1v31 h MET 19 Cb 0.19 0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1v31 h MET 19 CO 0.01 1.22 0.00 0.22 1.06 0.00 0.00 176.91 179.42 1v31 h ASP 20 N 0.17 0.00 0.17 1.22 1.82 -1.12 1.45 116.42 120.13 1v31 h ASP 20 Ca -0.13 0.00 -0.30 0.00 -0.39 0.00 0.00 57.03 56.21 1v31 h ASP 20 Cb 1.83 0.00 0.03 0.00 0.68 0.00 0.00 39.33 41.86 1v31 h ASP 20 CO 0.20 0.00 -1.24 0.58 -1.61 0.00 0.00 179.24 177.17 1v31 h VAL 21 N 0.00 1.30 0.00 2.25 2.07 -0.93 -3.42 116.25 117.52 1v31 h VAL 21 Ca 0.00 -2.50 0.00 0.00 0.82 0.00 0.00 66.70 65.02 1v31 h VAL 21 Cb 0.70 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 33.17 1v31 h VAL 21 CO 0.00 0.76 -0.40 0.18 0.02 0.00 0.00 177.57 178.13 1v31 n LEU 22 N -3.77 1.27 0.00 2.57 4.77 -1.12 -5.01 117.00 115.70 1v31 n LEU 22 Ca -0.13 0.19 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 1v31 n LEU 22 Cb 0.99 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 1v31 n LEU 22 CO 0.58 -0.53 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 1v31 n GLY 23 N 2.55 1.40 0.02 -0.72 0.00 0.49 -5.07 105.19 103.86 1v31 n GLY 23 Ca -0.06 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.96 1v31 n GLY 23 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1v31 n ILE 24 N -0.01 0.00 0.00 -0.61 -5.35 -1.23 -5.04 119.36 107.13 1v31 n ILE 24 Ca 0.00 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 62.47 1v31 n ILE 24 Cb 0.00 -0.29 0.00 0.00 -1.74 0.00 0.00 39.64 37.61 1v31 n ILE 24 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1v31 n GLU 25 N -0.30 0.00 -3.62 6.28 2.13 -1.26 -4.73 120.64 119.14 1v31 n GLU 25 Ca -0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 1v31 n GLU 25 Cb 0.00 -0.21 -0.15 0.00 0.27 0.00 0.00 31.44 31.35 1v31 n GLU 25 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1v31 s VAL 26 N -1.47 0.23 0.30 6.31 1.01 -1.26 -1.45 120.40 124.07 1v31 s VAL 26 Ca 0.00 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.18 1v31 s VAL 26 Cb 0.00 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.23 1v31 s VAL 26 CO 0.00 -0.60 0.10 -0.70 0.00 0.00 0.00 175.10 173.90 1v31 s GLU 27 N 1.96 1.57 0.00 2.72 2.56 -1.06 -4.87 118.70 121.58 1v31 s GLU 27 Ca 0.07 -1.88 0.00 0.00 0.00 0.00 0.00 54.97 53.16 1v31 s GLU 27 Cb -0.16 -0.41 0.00 0.00 2.00 0.00 0.00 34.13 35.55 1v31 s GLU 27 CO -0.27 -0.32 0.00 0.25 -0.56 0.00 0.00 175.26 174.35 1v31 n THR 28 N -0.60 0.00 0.02 -1.70 -2.24 -1.26 0.18 114.28 108.68 1v31 n THR 28 Ca -0.01 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.57 1v31 n THR 28 Cb 0.66 -1.93 -0.14 0.00 -2.10 0.00 0.00 70.33 66.81 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 0.25 0.20 -0.78 2.43 -1.95 -3.32 114.38 111.20 1v31 h ARG 29 Ca 0.00 -0.42 -0.01 0.00 -0.81 0.00 0.00 59.98 58.74 1v31 h ARG 29 Cb 0.00 0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1v31 h ARG 29 CO 0.00 1.20 -0.09 -1.00 -1.51 0.00 0.00 179.97 178.57 1v31 h PRO 30 N -0.40 -0.25 -0.78 0.20 0.13 -1.98 -2.55 132.00 126.36 1v31 h PRO 30 Ca -0.22 0.02 0.32 0.00 -0.87 0.00 0.00 66.00 65.25 1v31 h PRO 30 Cb 1.65 0.06 -0.14 0.00 0.13 0.00 0.00 31.00 32.70 1v31 h PRO 30 CO 0.09 0.01 0.40 0.54 -0.23 0.00 0.00 178.00 178.80 1v31 n ARG 31 N -4.94 -0.05 0.10 0.86 1.74 -1.26 0.97 116.66 114.08 1v31 n ARG 31 Ca -0.05 1.08 -0.05 0.00 -0.77 0.00 0.00 57.85 58.06 1v31 n ARG 31 Cb 0.19 -1.93 -0.02 0.00 -1.02 0.00 0.00 32.46 29.67 1v31 n ARG 31 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1v31 h ILE 32 N 0.00 0.00 -0.99 0.55 2.04 -1.66 0.25 117.51 117.70 1v31 h ILE 32 Ca 0.65 -0.51 0.35 0.00 1.00 0.00 0.00 64.86 66.35 1v31 h ILE 32 Cb 1.71 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.63 1v31 h ILE 32 CO -0.61 0.00 0.49 0.40 0.00 0.00 0.00 178.15 178.43 1v31 h ILE 33 N -0.84 0.16 -0.06 -0.67 2.04 0.28 0.91 117.51 119.34 1v31 h ILE 33 Ca -0.03 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1v31 h ILE 33 Cb 0.25 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.32 1v31 h ILE 33 CO 0.06 0.03 -0.06 0.00 0.00 0.00 0.00 178.15 178.18 1v31 h ALA 34 N 1.91 0.08 -1.19 1.87 0.00 0.57 -1.84 119.26 120.66 1v31 h ALA 34 Ca 0.75 -0.28 0.34 0.00 0.00 0.00 0.00 54.91 55.73 1v31 h ALA 34 Cb 1.82 -0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.50 1v31 h ALA 34 CO -0.70 -0.12 0.79 0.00 0.00 0.00 0.00 179.25 179.23 1v31 h ALA 35 N 0.54 2.64 0.08 0.00 0.00 0.30 1.61 119.26 124.43 1v31 h ALA 35 Ca 0.01 0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.71 1v31 h ALA 35 Cb 0.57 0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1v31 h ALA 35 CO 0.01 -1.10 -1.13 0.82 0.00 0.00 0.00 179.25 177.86 1v31 h ILE 36 N 0.20 1.44 -0.33 0.00 2.04 -0.80 0.47 117.51 120.53 1v31 h ILE 36 Ca 0.66 -2.75 0.00 0.00 1.00 0.00 0.00 64.86 63.78 1v31 h ILE 36 Cb 2.06 2.71 -0.02 0.00 -0.74 0.00 0.00 36.82 40.84 1v31 h ILE 36 CO -0.25 0.81 0.21 -0.50 0.00 0.00 0.00 178.15 178.43 1v31 h TRP 37 N 0.15 0.41 0.46 1.37 4.06 0.30 0.27 115.95 122.97 1v31 h TRP 37 Ca -0.12 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.82 1v31 h TRP 37 Cb 1.81 -0.14 0.00 0.00 -1.00 0.00 0.00 29.16 29.84 1v31 h TRP 37 CO 0.07 0.25 -0.22 1.25 -3.56 0.00 0.00 178.44 176.23 1v31 h HIS 38 N 0.44 -0.57 -0.85 0.49 -0.00 -0.52 -2.82 115.15 111.31 1v31 h HIS 38 Ca 0.12 -0.01 0.15 0.00 -0.00 0.00 0.00 60.37 60.63 1v31 h HIS 38 Cb -0.05 0.19 -0.15 0.00 -0.00 0.00 0.00 27.41 27.40 1v31 h HIS 38 CO -0.06 -0.36 -0.31 -0.92 -0.00 0.00 0.00 177.93 176.29 1v31 h TYR 39 N -1.12 -0.81 0.01 5.26 3.20 -0.87 1.26 116.97 123.89 1v31 h TYR 39 Ca -0.06 0.09 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1v31 h TYR 39 Cb 0.47 0.48 -0.05 0.00 1.54 0.00 0.00 36.73 39.18 1v31 h TYR 39 CO 0.00 -0.39 -0.45 0.28 -1.64 0.00 0.00 178.16 175.97 1v31 h VAL 40 N -0.04 0.00 -0.23 1.81 2.07 -0.54 0.71 116.25 120.03 1v31 h VAL 40 Ca 0.35 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.92 1v31 h VAL 40 Cb 0.60 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 1v31 h VAL 40 CO -0.88 0.00 -0.08 0.11 0.02 0.00 0.00 177.57 176.74 1v31 h LYS 41 N -0.57 -0.03 -0.96 1.57 1.57 -0.73 0.69 116.57 118.10 1v31 h LYS 41 Ca 0.01 0.00 0.23 0.00 -1.87 0.00 0.00 60.65 59.02 1v31 h LYS 41 Cb 0.61 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.85 1v31 h LYS 41 CO -0.30 -0.02 0.64 0.00 -0.57 0.00 0.00 179.45 179.20 1v31 h ALA 42 N 1.19 2.28 -0.66 3.86 0.00 0.23 1.32 119.26 127.48 1v31 h ALA 42 Ca 0.12 0.03 -0.26 0.00 0.00 0.00 0.00 54.91 54.80 1v31 h ALA 42 Cb 0.21 -0.00 -0.15 0.00 0.00 0.00 0.00 17.79 17.85 1v31 h ALA 42 CO -0.26 -0.61 0.33 0.54 0.00 0.00 0.00 179.25 179.25 1v31 n ARG 43 N -4.52 2.71 -2.45 0.00 5.12 0.24 -4.86 116.66 112.90 1v31 n ARG 43 Ca 0.22 -2.37 -0.02 0.00 -1.93 0.00 0.00 57.85 53.75 1v31 n ARG 43 Cb 0.79 -1.98 -0.00 0.00 -1.16 0.00 0.00 32.46 30.11 1v31 n ARG 43 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 1v31 n LYS 44 N -0.32 -2.85 0.09 5.56 4.76 0.45 -4.71 118.16 121.14 1v31 n LYS 44 Ca 0.37 0.08 -0.07 0.00 -2.87 0.00 0.00 58.31 55.82 1v31 n LYS 44 Cb 1.26 -4.58 -0.02 0.00 -1.84 0.00 0.00 35.03 29.85 1v31 n LYS 44 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1v31 h LEU 45 N 0.00 0.15 -9.06 -0.35 3.38 0.10 -3.46 115.31 106.08 1v31 h LEU 45 Ca -0.04 -0.13 -0.74 0.00 0.09 0.00 0.00 57.88 57.06 1v31 h LEU 45 Cb 1.00 -0.05 0.07 0.00 0.09 0.00 0.00 40.66 41.77 1v31 h LEU 45 CO 0.04 0.97 -0.03 1.67 0.09 0.00 0.00 178.44 181.18 1v31 n GLN 46 N -3.59 0.21 -2.43 1.13 7.27 -1.23 0.17 117.38 118.90 1v31 n GLN 46 Ca -0.02 0.07 -0.42 0.00 0.07 0.00 0.00 57.00 56.70 1v31 n GLN 46 Cb 0.83 -1.47 -0.03 0.00 2.41 0.00 0.00 30.24 31.98 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 -0.21 7.13 0.15 1.69 -0.87 -1.06 -4.69 114.94 117.09 1v31 s ASN 47 Ca 0.82 2.09 -0.02 0.00 -1.57 0.00 0.00 52.86 54.18 1v31 s ASN 47 Cb -1.12 -2.59 -0.02 0.00 -0.02 0.00 0.00 41.25 37.49 1v31 s ASN 47 CO 0.56 -0.38 1.36 1.55 -2.57 0.00 0.00 177.10 177.62 1v31 h PRO 48 N 5.98 0.37 0.06 -0.60 0.13 -1.90 -3.35 132.00 132.70 1v31 h PRO 48 Ca -0.43 -0.36 -0.00 0.00 -0.87 0.00 0.00 66.00 64.33 1v31 h PRO 48 Cb 1.21 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1v31 h PRO 48 CO 0.77 1.03 -0.03 -0.91 -0.23 0.00 0.00 178.00 178.63 1v31 h ASN 49 N 0.23 -0.07 -3.63 1.44 4.21 -1.97 -3.43 115.58 112.35 1v31 h ASN 49 Ca -0.06 -0.04 -0.69 0.00 1.21 0.00 0.00 56.30 56.73 1v31 h ASN 49 Cb 1.47 0.02 -0.19 0.00 -1.12 0.00 0.00 38.32 38.49 1v31 h ASN 49 CO 0.14 0.44 -0.43 -1.81 -1.29 0.00 0.00 177.43 174.48 1v31 s ASP 50 N -5.48 6.10 0.19 5.81 1.01 -1.26 -4.92 116.67 118.11 1v31 s ASP 50 Ca -0.02 -0.57 0.24 0.00 0.71 0.00 0.00 52.55 52.91 1v31 s ASP 50 Cb 0.00 -2.16 0.91 0.00 1.01 0.00 0.00 42.92 42.68 1v31 s ASP 50 CO 0.07 -0.33 1.74 -0.81 0.21 0.00 0.00 175.17 176.04 1v31 n PRO 51 N 5.18 0.18 0.02 8.23 -0.04 -1.25 -2.63 135.00 144.69 1v31 n PRO 51 Ca -0.11 0.28 -0.05 0.00 -0.04 0.00 0.00 63.50 63.58 1v31 n PRO 51 Cb 0.49 -1.77 -0.11 0.00 -0.04 0.00 0.00 33.50 32.07 1v31 n PRO 51 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1v31 h SER 52 N 0.00 0.00 -6.32 3.54 0.87 -1.91 -3.47 113.55 106.27 1v31 h SER 52 Ca 0.00 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 60.10 1v31 h SER 52 Cb 0.52 0.00 0.03 0.00 -0.44 0.00 0.00 62.40 62.51 1v31 h SER 52 CO 0.00 0.83 -0.04 0.49 -0.53 0.00 0.00 176.83 177.58 1v31 n PHE 53 N -3.05 -2.42 -3.54 2.24 3.72 -1.08 0.19 117.46 113.52 1v31 n PHE 53 Ca -0.11 -1.96 -0.11 0.00 -0.05 0.00 0.00 57.45 55.22 1v31 n PHE 53 Cb 0.95 -0.54 -0.04 0.00 -0.94 0.00 0.00 39.48 38.90 1v31 n PHE 53 CO 0.00 0.00 0.00 -0.59 -0.05 0.00 0.00 176.76 176.12 1v31 s PHE 54 N -2.48 -0.41 0.47 1.38 -0.12 -0.44 -2.56 117.98 113.83 1v31 s PHE 54 Ca 0.58 0.56 -0.18 0.00 -0.05 0.00 0.00 56.93 57.85 1v31 s PHE 54 Cb -0.04 0.47 -0.09 0.00 -0.63 0.00 0.00 43.02 42.73 1v31 s PHE 54 CO 0.37 -0.45 0.96 -0.80 -0.05 0.00 0.00 175.22 175.25 1v31 s ASN 55 N -1.59 6.75 0.00 1.98 0.01 0.13 -2.24 114.94 119.98 1v31 s ASN 55 Ca -0.01 1.59 -0.14 0.00 -0.71 0.00 0.00 52.86 53.60 1v31 s ASN 55 Cb -0.01 -2.51 -0.06 0.00 0.41 0.00 0.00 41.25 39.09 1v31 s ASN 55 CO -0.01 -0.48 0.39 0.00 -1.51 0.00 0.00 177.10 175.49 1v31 h ASP 57 N 4.58 0.00 0.00 0.00 5.19 -1.95 -3.49 116.42 120.75 1v31 h ASP 57 Ca -0.52 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 55.89 1v31 h ASP 57 Cb 1.22 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.73 1v31 h ASP 57 CO 0.62 0.02 0.00 0.00 -3.12 0.00 0.00 179.24 176.76 1v31 n ALA 58 N -2.05 0.00 0.14 3.45 0.00 -1.26 -4.93 120.51 115.86 1v31 n ALA 58 Ca -0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1v31 n ALA 58 Cb 0.00 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.50 1v31 n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v31 h ALA 59 N 0.00 0.73 0.00 0.00 0.00 -1.95 -3.19 119.26 114.84 1v31 h ALA 59 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1v31 h ALA 59 Cb 0.00 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1v31 h ALA 59 CO 0.00 0.31 -0.16 -0.07 0.00 0.00 0.00 179.25 179.33 1v31 h LEU 60 N 0.00 0.00 0.30 0.00 3.38 -1.91 -3.27 115.31 113.81 1v31 h LEU 60 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1v31 h LEU 60 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 1v31 h LEU 60 CO 0.02 0.16 -0.14 1.56 0.09 0.00 0.00 178.44 180.13 1v31 h GLN 61 N 0.00 -0.38 -1.83 1.13 1.08 -1.82 -0.16 115.11 113.13 1v31 h GLN 61 Ca -0.00 0.03 0.54 0.00 -1.45 0.00 0.00 58.65 57.77 1v31 h GLN 61 Cb 0.81 0.09 -0.09 0.00 -0.05 0.00 0.00 27.48 28.24 1v31 h GLN 61 CO 0.02 -0.26 1.30 1.63 -0.95 0.00 0.00 178.83 180.58 1v31 n LYS 62 N -3.57 -0.01 0.01 1.46 5.02 -1.24 0.18 118.16 120.02 1v31 n LYS 62 Ca -0.05 1.07 -0.01 0.00 -2.02 0.00 0.00 58.31 57.31 1v31 n LYS 62 Cb 0.16 -2.42 -0.00 0.00 -0.02 0.00 0.00 35.03 32.74 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 0.01 -0.18 2.07 -1.57 -3.43 116.25 113.15 1v31 h VAL 63 Ca 0.91 -0.19 -0.00 0.00 0.82 0.00 0.00 66.70 68.23 1v31 h VAL 63 Cb 3.54 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 1v31 h VAL 63 CO -0.08 0.00 -0.00 -0.26 0.02 0.00 0.00 177.57 177.25 1v31 h PHE 64 N -0.25 -0.01 0.00 1.57 0.04 0.13 -3.49 116.94 114.93 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 0.05 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.20 1v31 h PHE 64 CO 0.03 -0.01 0.00 0.41 -0.60 0.00 0.00 178.31 178.15 1v31 n GLY 65 N 1.85 1.32 3.61 -1.45 0.00 0.48 -5.02 105.19 105.98 1v31 n GLY 65 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.34 2.00 0.11 1.61 0.41 -1.26 -5.02 118.70 116.21 1v31 s GLU 66 Ca 0.00 -1.81 -0.12 0.00 -0.41 0.00 0.00 54.97 52.63 1v31 s GLU 66 Cb 0.00 -1.86 -0.11 0.00 -1.78 0.00 0.00 34.13 30.38 1v31 s GLU 66 CO 0.00 0.13 1.37 1.05 -0.49 0.00 0.00 175.26 177.32 1v31 h GLU 67 N 1.87 0.84 -3.89 1.61 4.11 -1.96 -3.43 114.58 113.72 1v31 h GLU 67 Ca -0.43 -0.57 -0.13 0.00 0.07 0.00 0.00 59.36 58.30 1v31 h GLU 67 Cb 1.25 0.08 -0.18 0.00 0.50 0.00 0.00 28.75 30.41 1v31 h GLU 67 CO 0.68 1.20 -0.57 -1.59 0.07 0.00 0.00 179.01 178.80 1v31 s LYS 68 N -4.01 0.56 0.20 1.06 -2.85 -1.26 0.90 119.74 114.34 1v31 s LYS 68 Ca -0.11 -0.81 -0.02 0.00 -1.00 0.00 0.00 55.97 54.03 1v31 s LYS 68 Cb 0.09 0.21 -0.04 0.00 -2.06 0.00 0.00 37.83 36.04 1v31 s LYS 68 CO 0.89 -0.13 0.16 -1.17 0.10 0.00 0.00 175.35 175.19 1v31 s LEU 69 N -2.18 1.10 0.42 2.77 0.20 -0.95 -4.94 118.68 115.10 1v31 s LEU 69 Ca -0.04 -1.35 -0.07 0.00 0.69 0.00 0.00 54.13 53.36 1v31 s LEU 69 Cb -0.01 0.49 -0.05 0.00 -0.43 0.00 0.00 46.19 46.19 1v31 s LEU 69 CO -0.05 -0.86 0.74 -0.54 -0.29 0.00 0.00 176.35 175.35 1v31 s LYS 70 N -4.15 3.64 0.01 1.98 1.02 -1.26 -1.33 119.74 119.66 1v31 s LYS 70 Ca 0.37 0.25 0.24 0.00 0.02 0.00 0.00 55.97 56.86 1v31 s LYS 70 Cb 0.06 -2.43 1.03 0.00 -0.52 0.00 0.00 37.83 35.97 1v31 s LYS 70 CO 0.11 -0.07 1.78 1.19 -0.92 0.00 0.00 175.35 177.45 1v31 n PHE 71 N -1.69 0.05 -0.09 3.18 3.72 0.50 -3.05 117.46 120.07 1v31 n PHE 71 Ca 0.01 0.02 -0.13 0.00 -0.05 0.00 0.00 57.45 57.29 1v31 n PHE 71 Cb 0.55 -0.53 -0.08 0.00 -0.94 0.00 0.00 39.48 38.47 1v31 n PHE 71 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1v31 n THR 72 N -1.54 1.06 -0.25 4.37 -2.24 -1.26 -4.51 114.28 109.90 1v31 n THR 72 Ca 0.06 -0.40 0.10 0.00 -2.27 0.00 0.00 64.05 61.54 1v31 n THR 72 Cb 0.29 -1.18 0.36 0.00 -2.10 0.00 0.00 70.33 67.70 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 -0.03 0.71 -1.31 -0.78 2.86 -1.94 -0.76 114.93 113.69 1v31 h MET 73 Ca -0.42 -0.04 0.46 0.00 -2.06 0.00 0.00 59.70 57.64 1v31 h MET 73 Cb 1.63 -0.16 -0.15 0.00 0.06 0.00 0.00 31.60 32.98 1v31 h MET 73 CO -0.07 0.47 0.82 0.28 1.06 0.00 0.00 176.91 179.46 1v31 h VAL 74 N 0.73 0.02 0.03 -2.22 2.07 -1.77 1.42 116.25 116.54 1v31 h VAL 74 Ca 0.42 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.94 1v31 h VAL 74 Cb 0.59 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 1v31 h VAL 74 CO -0.18 0.00 -0.08 0.28 0.02 0.00 0.00 177.57 177.62 1v31 h SER 75 N 0.02 -0.21 -0.49 0.57 0.02 -1.42 0.90 113.55 112.93 1v31 h SER 75 Ca 0.87 0.03 -0.26 0.00 -0.84 0.00 0.00 61.79 61.59 1v31 h SER 75 Cb 2.69 0.09 -0.15 0.00 0.14 0.00 0.00 62.40 65.17 1v31 h SER 75 CO -0.52 -0.12 0.33 0.00 -1.14 0.00 0.00 176.83 175.39 1v31 n GLN 76 N -5.19 1.63 0.00 3.45 -0.00 0.48 -2.96 117.38 114.78 1v31 n GLN 76 Ca -0.06 -1.48 0.00 0.00 -0.00 0.00 0.00 57.00 55.45 1v31 n GLN 76 Cb 0.12 -1.58 0.00 0.00 -0.00 0.00 0.00 30.24 28.78 1v31 n GLN 76 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 1v31 n LYS 77 N -0.24 0.00 0.04 2.61 4.76 -0.55 -4.83 118.16 119.95 1v31 n LYS 77 Ca 0.29 0.00 -0.07 0.00 -2.87 0.00 0.00 58.31 55.66 1v31 n LYS 77 Cb 1.02 -0.21 0.09 0.00 -1.84 0.00 0.00 35.03 34.09 1v31 n LYS 77 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 1v31 h ILE 78 N 0.00 1.35 -0.79 -0.18 -0.00 0.68 -3.13 117.51 115.43 1v31 h ILE 78 Ca 0.00 -1.89 0.18 0.00 -0.00 0.00 0.00 64.86 63.15 1v31 h ILE 78 Cb 0.24 1.89 -0.14 0.00 -0.00 0.00 0.00 36.82 38.81 1v31 h ILE 78 CO 0.00 0.57 -0.02 0.77 -0.00 0.00 0.00 178.15 179.48 1v31 h SER 79 N 0.30 -0.41 -0.90 2.16 4.64 -1.69 0.94 113.55 118.60 1v31 h SER 79 Ca -0.00 0.21 0.18 0.00 -0.47 0.00 0.00 61.79 61.71 1v31 h SER 79 Cb 1.11 0.38 -0.11 0.00 -0.31 0.00 0.00 62.40 63.47 1v31 h SER 79 CO 0.10 -0.21 0.46 -0.74 -0.87 0.00 0.00 176.83 175.57 1v31 h HIS 80 N 0.08 0.80 -0.22 4.77 2.76 -1.84 0.14 115.15 121.63 1v31 h HIS 80 Ca 0.43 0.04 -0.17 0.00 -2.20 0.00 0.00 60.37 58.47 1v31 h HIS 80 Cb 0.77 -0.21 0.00 0.00 1.55 0.00 0.00 27.41 29.52 1v31 h HIS 80 CO -0.46 0.11 -0.53 0.45 -1.30 0.00 0.00 177.93 176.20 1v31 h HIS 81 N 0.57 0.97 -2.54 5.26 3.86 0.57 -3.45 115.15 120.40 1v31 h HIS 81 Ca 0.52 -0.37 -0.60 0.00 -1.16 0.00 0.00 60.37 58.77 1v31 h HIS 81 Cb 0.85 -0.17 0.14 0.00 1.06 0.00 0.00 27.41 29.29 1v31 h HIS 81 CO -0.09 1.17 -0.18 1.28 0.86 0.00 0.00 177.93 180.97 1v31 n LEU 82 N -4.09 0.95 -3.74 2.43 4.77 0.93 -4.61 117.00 113.64 1v31 n LEU 82 Ca -0.06 0.97 -0.10 0.00 -0.03 0.00 0.00 56.01 56.80 1v31 n LEU 82 Cb 0.62 -1.20 -0.05 0.00 -2.33 0.00 0.00 43.42 40.46 1v31 n LEU 82 CO 0.49 -2.33 0.15 -0.44 -1.33 0.00 0.00 177.39 173.93 1v31 s SER 83 N -0.87 -0.17 -0.05 -1.43 0.01 -1.09 -4.94 113.70 105.16 1v31 s SER 83 Ca 0.63 -0.49 -0.30 0.00 1.31 0.00 0.00 55.95 57.11 1v31 s SER 83 Cb -0.61 0.49 -0.04 0.00 0.21 0.00 0.00 66.02 66.08 1v31 s SER 83 CO 0.57 -0.92 1.22 -2.16 0.41 0.00 0.00 173.24 172.36 1v31 s PRO 84 N -3.86 4.35 0.98 12.44 0.04 -1.26 0.18 135.00 147.87 1v31 s PRO 84 Ca 0.07 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.67 1v31 s PRO 84 Cb 0.01 -3.55 0.18 0.00 0.04 0.00 0.00 34.50 31.18 1v31 s PRO 84 CO -0.07 -0.45 1.17 -1.25 0.04 0.00 0.00 177.00 176.44 1v31 s PRO 85 N 2.18 0.57 -0.33 0.56 0.04 -1.26 -4.71 135.00 132.05 1v31 s PRO 85 Ca 0.57 0.08 -0.29 0.00 0.04 0.00 0.00 61.00 61.39 1v31 s PRO 85 Cb -0.25 -1.79 0.00 0.00 0.04 0.00 0.00 34.50 32.50 1v31 s PRO 85 CO 0.23 -2.54 1.36 -1.25 0.04 0.00 0.00 177.00 174.83 1v31 s PRO 86 N -5.43 3.80 -0.08 0.56 0.04 -1.26 -4.91 135.00 127.72 1v31 s PRO 86 Ca 0.67 1.18 -0.26 0.00 0.04 0.00 0.00 61.00 62.64 1v31 s PRO 86 Cb -0.12 -3.94 -0.21 0.00 0.04 0.00 0.00 34.50 30.27 1v31 s PRO 86 CO 0.54 -1.27 0.94 -1.00 0.04 0.00 0.00 177.00 176.25 1v31 h PRO 87 N 9.85 -0.04 -6.04 0.56 0.13 -2.03 -3.45 132.00 130.98 1v31 h PRO 87 Ca -0.27 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 64.09 1v31 h PRO 87 Cb 1.10 0.01 0.05 0.00 0.13 0.00 0.00 31.00 32.29 1v31 h PRO 87 CO 1.05 0.64 0.13 0.45 -0.23 0.00 0.00 178.00 180.04 1v31 n SER 88 N -4.76 0.27 0.00 1.44 2.88 -1.26 -4.95 113.62 107.24 1v31 n SER 88 Ca -0.09 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 1v31 n SER 88 Cb 0.34 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 62.84 1v31 n SER 88 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v31 n GLY 89 N 1.69 2.29 3.28 0.46 0.00 -1.26 -4.95 105.19 106.70 1v31 n GLY 89 Ca 0.20 -1.85 -0.39 0.00 0.00 0.00 0.00 46.02 43.98 1v31 n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v31 n PRO 90 N 0.00 2.29 0.07 1.61 -0.04 -1.26 -4.67 135.00 132.99 1v31 n PRO 90 Ca 0.00 -2.57 -0.05 0.00 -0.04 0.00 0.00 63.50 60.85 1v31 n PRO 90 Cb 0.00 -3.37 -0.02 0.00 -0.04 0.00 0.00 33.50 30.06 1v31 n PRO 90 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1v31 h SER 91 N 7.87 -0.23 -3.50 3.54 0.87 -2.01 -3.46 113.55 116.63 1v31 h SER 91 Ca 0.41 -0.01 -0.23 0.00 -1.23 0.00 0.00 61.79 60.73 1v31 h SER 91 Cb 0.79 0.06 -0.31 0.00 -0.44 0.00 0.00 62.40 62.50 1v31 h SER 91 CO 1.62 0.24 -0.59 -0.94 -0.53 0.00 0.00 176.83 176.63 1v31 s SER 92 N -5.25 -0.12 0.00 6.23 1.04 -1.26 -5.31 113.70 109.03 1v31 s SER 92 Ca -0.04 0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.69 1v31 s SER 92 Cb 0.00 0.21 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1v31 s SER 92 CO 0.14 -0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.84