#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 -8.04 -2.20 1.61 2.88 -1.26 -5.00 113.62 101.61 1v31 n SER 2 Ca 0.00 1.42 0.00 0.00 -1.33 0.00 0.00 58.87 58.96 1v31 n SER 2 Cb 0.00 -5.02 0.00 0.00 -0.75 0.00 0.00 64.21 58.44 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 -4.39 -9.18 0.00 -3.46 2.88 -1.26 -5.06 113.62 93.15 1v31 n SER 3 Ca -0.09 1.62 0.00 0.00 -1.33 0.00 0.00 58.87 59.07 1v31 n SER 3 Cb 0.69 -5.08 0.00 0.00 -0.75 0.00 0.00 64.21 59.08 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 1.83 -0.28 3.71 0.46 0.00 -1.26 -5.09 105.19 104.57 1v31 n GLY 4 Ca 0.00 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 1v31 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v31 s SER 5 N -0.45 6.52 0.62 1.61 0.15 -1.26 -4.65 113.70 116.24 1v31 s SER 5 Ca 0.00 2.68 0.00 0.00 0.70 0.00 0.00 55.95 59.33 1v31 s SER 5 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1v31 s SER 5 CO 0.00 -0.89 0.00 -1.20 1.20 0.00 0.00 173.24 172.35 1v31 n SER 6 N 4.40 -8.36 0.00 5.45 7.64 -1.26 -5.07 113.62 116.42 1v31 n SER 6 Ca 0.15 1.75 0.00 0.00 1.01 0.00 0.00 58.87 61.78 1v31 n SER 6 Cb 0.38 -5.14 0.00 0.00 -1.01 0.00 0.00 64.21 58.44 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 -3.35 2.10 3.53 0.23 0.00 -1.26 -4.93 105.19 101.51 1v31 n GLY 7 Ca -0.04 -0.76 -0.35 0.00 0.00 0.00 0.00 46.02 44.86 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 0.26 1.90 -1.52 1.61 0.24 -1.26 -4.91 118.33 114.65 1v31 n VAL 8 Ca 0.00 -0.34 -0.30 0.00 -2.04 0.00 0.00 64.34 61.66 1v31 n VAL 8 Cb 0.00 -0.89 0.21 0.00 -1.47 0.00 0.00 33.84 31.70 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 -3.19 -0.28 0.25 7.34 0.04 -1.26 -5.01 135.00 132.88 1v31 s PRO 9 Ca 0.68 -0.25 0.01 0.00 0.04 0.00 0.00 61.00 61.48 1v31 s PRO 9 Cb -0.32 -1.72 0.01 0.00 0.04 0.00 0.00 34.50 32.50 1v31 s PRO 9 CO 0.56 -3.05 0.09 -0.85 0.04 0.00 0.00 177.00 173.79 1v31 n GLU 10 N -4.25 1.27 -5.15 4.56 0.28 -1.26 -5.03 120.64 111.05 1v31 n GLU 10 Ca 0.14 -1.69 -0.31 0.00 -0.16 0.00 0.00 57.16 55.15 1v31 n GLU 10 Cb 0.59 0.33 -0.15 0.00 1.43 0.00 0.00 31.44 33.64 1v31 n GLU 10 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1v31 s LYS 11 N -2.96 2.00 -0.04 3.44 1.02 -1.26 -3.26 119.74 118.68 1v31 s LYS 11 Ca 0.07 -1.00 0.06 0.00 0.02 0.00 0.00 55.97 55.13 1v31 s LYS 11 Cb -0.01 -2.02 -0.01 0.00 -0.52 0.00 0.00 37.83 35.27 1v31 s LYS 11 CO 0.04 0.54 -0.24 -0.06 -0.92 0.00 0.00 175.35 174.72 1v31 s PHE 12 N -0.69 2.23 0.33 3.18 0.40 -0.57 -4.36 117.98 118.50 1v31 s PHE 12 Ca 0.11 -0.56 -0.29 0.00 -0.60 0.00 0.00 56.93 55.59 1v31 s PHE 12 Cb -0.10 -1.46 -0.11 0.00 0.51 0.00 0.00 43.02 41.87 1v31 s PHE 12 CO 0.00 -0.14 1.41 0.21 0.70 0.00 0.00 175.22 177.41 1v31 s LYS 13 N -0.31 4.24 0.52 0.44 2.20 0.49 -2.66 119.74 124.67 1v31 s LYS 13 Ca 0.02 2.37 -0.10 0.00 -0.36 0.00 0.00 55.97 57.90 1v31 s LYS 13 Cb -0.12 -3.04 -0.05 0.00 -1.51 0.00 0.00 37.83 33.11 1v31 s LYS 13 CO 0.02 -0.37 0.90 -0.51 -0.36 0.00 0.00 175.35 175.02 1v31 s LEU 14 N -1.52 3.53 0.66 5.43 1.02 0.51 -2.69 118.68 125.63 1v31 s LEU 14 Ca 0.53 1.24 -0.08 0.00 0.02 0.00 0.00 54.13 55.83 1v31 s LEU 14 Cb -0.43 -4.21 0.02 0.00 0.02 0.00 0.00 46.19 41.60 1v31 s LEU 14 CO 0.54 -0.64 1.01 -0.44 0.02 0.00 0.00 176.35 176.83 1v31 s SER 15 N -3.79 5.36 0.35 2.29 0.01 -1.26 -4.75 113.70 111.90 1v31 s SER 15 Ca 0.53 0.83 0.04 0.00 1.31 0.00 0.00 55.95 58.66 1v31 s SER 15 Cb -0.10 -1.68 0.68 0.00 0.21 0.00 0.00 66.02 65.13 1v31 s SER 15 CO 0.43 -1.29 1.95 0.74 0.41 0.00 0.00 173.24 175.48 1v31 h THR 16 N -0.47 1.05 0.10 1.44 2.02 -1.98 1.45 112.91 116.53 1v31 h THR 16 Ca -0.45 -0.29 -0.17 0.00 0.77 0.00 0.00 66.41 66.27 1v31 h THR 16 Cb 1.27 0.14 0.01 0.00 -1.74 0.00 0.00 68.15 67.83 1v31 h THR 16 CO 0.62 0.15 -0.80 0.00 0.37 0.00 0.00 175.52 175.86 1v31 h ALA 17 N 1.58 -0.01 -0.82 6.16 0.00 -1.94 -3.09 119.26 121.15 1v31 h ALA 17 Ca 0.32 -0.76 0.01 0.00 0.00 0.00 0.00 54.91 54.48 1v31 h ALA 17 Cb 0.21 0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 1v31 h ALA 17 CO -0.11 0.41 0.54 1.25 0.00 0.00 0.00 179.25 181.34 1v31 h LEU 18 N -0.50 0.95 -1.52 0.00 5.85 -1.81 -0.38 115.31 117.90 1v31 h LEU 18 Ca -0.16 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.49 1v31 h LEU 18 Cb 1.53 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 42.32 1v31 h LEU 18 CO 0.09 0.70 -0.14 0.24 -0.34 0.00 0.00 178.44 178.98 1v31 h MET 19 N 1.12 0.14 -0.01 1.25 2.86 0.19 0.15 114.93 120.63 1v31 h MET 19 Ca 0.30 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 1v31 h MET 19 Cb -0.12 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.52 1v31 h MET 19 CO -0.06 0.28 -0.14 -0.25 1.06 0.00 0.00 176.91 177.80 1v31 n ASP 20 N -4.30 0.92 0.01 1.22 8.00 -0.30 0.53 116.55 122.62 1v31 n ASP 20 Ca -0.01 -0.95 -0.04 0.00 0.71 0.00 0.00 54.79 54.49 1v31 n ASP 20 Cb 0.25 0.03 -0.11 0.00 -0.02 0.00 0.00 41.12 41.27 1v31 n ASP 20 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 1v31 h VAL 21 N 1.23 0.69 0.00 2.53 2.07 0.52 -3.43 116.25 119.86 1v31 h VAL 21 Ca 0.00 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.15 1v31 h VAL 21 Cb 0.43 2.24 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1v31 h VAL 21 CO 0.00 0.39 -0.20 0.18 0.02 0.00 0.00 177.57 177.96 1v31 n LEU 22 N -2.98 0.54 0.00 2.57 4.77 -0.92 -5.01 117.00 115.98 1v31 n LEU 22 Ca -0.13 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 1v31 n LEU 22 Cb 0.95 -0.09 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 1v31 n LEU 22 CO 0.44 -0.59 0.00 0.61 -1.33 0.00 0.00 177.39 176.52 1v31 n GLY 23 N 2.84 1.45 0.35 -0.72 0.00 0.19 -5.08 105.19 104.22 1v31 n GLY 23 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.06 0.00 0.00 -0.61 -5.35 -1.23 -5.05 119.36 107.06 1v31 n ILE 24 Ca 0.00 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 1v31 n ILE 24 Cb 0.00 -0.13 0.00 0.00 -1.74 0.00 0.00 39.64 37.77 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 -3.23 6.28 4.07 -1.26 -4.66 120.64 121.54 1v31 n GLU 25 Ca -0.01 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.06 1v31 n GLU 25 Cb 0.06 -0.48 -0.03 0.00 -0.06 0.00 0.00 31.44 30.93 1v31 n GLU 25 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1v31 s VAL 26 N -1.55 -0.81 0.37 6.31 0.11 -1.26 0.19 120.40 123.76 1v31 s VAL 26 Ca 0.00 -0.15 0.08 0.00 -2.93 0.00 0.00 61.98 58.99 1v31 s VAL 26 Cb 0.00 -0.99 -0.05 0.00 -1.53 0.00 0.00 36.38 33.82 1v31 s VAL 26 CO 0.00 -0.14 0.13 -0.70 -3.33 0.00 0.00 175.10 171.05 1v31 s GLU 27 N 2.68 2.25 0.70 1.54 2.56 -1.09 -4.75 118.70 122.59 1v31 s GLU 27 Ca 0.11 -1.70 -0.13 0.00 0.00 0.00 0.00 54.97 53.25 1v31 s GLU 27 Cb -0.12 -2.05 0.02 0.00 2.00 0.00 0.00 34.13 33.98 1v31 s GLU 27 CO -0.27 0.03 1.08 0.95 -0.56 0.00 0.00 175.26 176.50 1v31 s THR 28 N -2.51 3.53 0.22 -1.70 -4.23 -1.26 -1.51 115.64 108.18 1v31 s THR 28 Ca 0.38 0.59 -0.08 0.00 -1.18 0.00 0.00 61.69 61.40 1v31 s THR 28 Cb 0.00 -3.14 0.17 0.00 1.34 0.00 0.00 72.50 70.87 1v31 s THR 28 CO 0.22 -0.56 1.73 -0.09 -0.54 0.00 0.00 174.62 175.38 1v31 h ARG 29 N -0.46 0.36 0.00 3.99 2.43 -1.95 0.71 114.38 119.46 1v31 h ARG 29 Ca -0.45 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 58.67 1v31 h ARG 29 Cb 1.23 -0.08 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1v31 h ARG 29 CO 0.54 0.24 -0.12 -1.00 -1.51 0.00 0.00 179.97 178.11 1v31 h PRO 30 N 0.37 0.00 0.09 0.20 0.13 -1.92 -2.74 132.00 128.12 1v31 h PRO 30 Ca 0.34 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.47 1v31 h PRO 30 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 1v31 h PRO 30 CO -0.37 0.12 -0.04 0.00 -0.23 0.00 0.00 178.00 177.48 1v31 h ARG 31 N 0.00 -0.11 0.17 0.86 2.47 -0.98 -2.77 114.38 114.01 1v31 h ARG 31 Ca -0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1v31 h ARG 31 Cb 0.84 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.17 1v31 h ARG 31 CO 0.02 0.25 -0.31 0.82 0.56 0.00 0.00 179.97 181.31 1v31 h ILE 32 N -0.98 0.00 -0.85 2.04 2.04 0.20 1.43 117.51 121.38 1v31 h ILE 32 Ca -0.01 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.96 1v31 h ILE 32 Cb 0.42 0.00 -0.13 0.00 -0.74 0.00 0.00 36.82 36.36 1v31 h ILE 32 CO 0.02 0.00 -0.45 0.40 0.00 0.00 0.00 178.15 178.12 1v31 h ILE 33 N -0.51 0.03 -0.13 -0.67 2.04 -1.66 0.45 117.51 117.06 1v31 h ILE 33 Ca -0.02 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.87 1v31 h ILE 33 Cb 0.48 0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.56 1v31 h ILE 33 CO -0.11 0.00 -0.07 0.00 0.00 0.00 0.00 178.15 177.97 1v31 h ALA 34 N 0.91 0.04 -0.92 1.87 0.00 -1.14 0.13 119.26 120.16 1v31 h ALA 34 Ca 0.25 0.05 0.25 0.00 0.00 0.00 0.00 54.91 55.46 1v31 h ALA 34 Cb 0.54 0.16 -0.16 0.00 0.00 0.00 0.00 17.79 18.33 1v31 h ALA 34 CO -0.87 -0.52 0.10 0.00 0.00 0.00 0.00 179.25 177.95 1v31 h ALA 35 N 1.05 1.16 -0.21 0.00 0.00 0.64 1.74 119.26 123.64 1v31 h ALA 35 Ca 0.07 0.29 -0.17 0.00 0.00 0.00 0.00 54.91 55.11 1v31 h ALA 35 Cb 0.17 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 1v31 h ALA 35 CO -0.17 -0.53 -0.55 0.82 0.00 0.00 0.00 179.25 178.83 1v31 h ILE 36 N 0.08 1.31 0.17 0.00 2.04 0.21 0.29 117.51 121.61 1v31 h ILE 36 Ca 0.56 -1.78 -0.00 0.00 1.00 0.00 0.00 64.86 64.64 1v31 h ILE 36 Cb 1.15 1.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.96 1v31 h ILE 36 CO -0.80 0.56 -0.13 -0.50 0.00 0.00 0.00 178.15 177.28 1v31 h TRP 37 N 0.48 -0.33 0.67 1.37 4.06 0.48 0.11 115.95 122.80 1v31 h TRP 37 Ca 0.01 -0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.93 1v31 h TRP 37 Cb 1.10 0.12 0.01 0.00 -1.00 0.00 0.00 29.16 29.39 1v31 h TRP 37 CO 0.05 -0.20 -0.32 1.25 -3.56 0.00 0.00 178.44 175.66 1v31 h HIS 38 N -0.30 -0.84 -0.94 0.49 -0.00 0.86 -2.47 115.15 111.95 1v31 h HIS 38 Ca -0.01 -0.02 0.15 0.00 -0.00 0.00 0.00 60.37 60.49 1v31 h HIS 38 Cb 0.27 0.28 -0.15 0.00 -0.00 0.00 0.00 27.41 27.80 1v31 h HIS 38 CO -0.10 -0.52 -0.36 0.98 -0.00 0.00 0.00 177.93 177.92 1v31 n TYR 39 N -5.08 0.03 0.06 5.26 9.36 0.10 0.19 117.16 127.08 1v31 n TYR 39 Ca -0.11 1.16 -0.13 0.00 3.32 0.00 0.00 57.90 62.14 1v31 n TYR 39 Cb 0.36 -0.85 -0.06 0.00 -0.63 0.00 0.00 39.34 38.15 1v31 n TYR 39 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 1v31 h VAL 40 N 0.00 0.19 0.03 2.97 2.07 -0.77 0.96 116.25 121.69 1v31 h VAL 40 Ca 0.33 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.87 1v31 h VAL 40 Cb 0.56 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 1v31 h VAL 40 CO -0.93 0.00 -0.12 0.50 0.02 0.00 0.00 177.57 177.04 1v31 h LYS 41 N -0.55 -0.21 -0.87 1.57 3.64 0.24 0.88 116.57 121.28 1v31 h LYS 41 Ca 0.05 0.01 0.18 0.00 -1.27 0.00 0.00 60.65 59.63 1v31 h LYS 41 Cb 0.63 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.44 1v31 h LYS 41 CO -0.31 -0.14 0.57 0.00 -2.27 0.00 0.00 179.45 177.31 1v31 h ALA 42 N 0.73 2.14 -0.40 5.00 0.00 0.27 1.38 119.26 128.37 1v31 h ALA 42 Ca 0.03 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1v31 h ALA 42 Cb 0.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1v31 h ALA 42 CO -0.10 -0.41 0.00 0.54 0.00 0.00 0.00 179.25 179.28 1v31 n ARG 43 N -4.51 2.66 -4.04 0.00 5.12 0.33 -4.89 116.66 111.33 1v31 n ARG 43 Ca 0.18 -1.76 -0.33 0.00 -1.93 0.00 0.00 57.85 54.01 1v31 n ARG 43 Cb 0.64 -1.64 -0.03 0.00 -1.16 0.00 0.00 32.46 30.27 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 0.62 -2.76 0.11 5.56 5.02 0.47 -4.78 118.16 122.39 1v31 n LYS 44 Ca 0.16 0.33 0.02 0.00 -2.02 0.00 0.00 58.31 56.80 1v31 n LYS 44 Cb 0.59 -5.02 -0.01 0.00 -0.02 0.00 0.00 35.03 30.56 1v31 n LYS 44 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1v31 h LEU 45 N -1.21 0.00 -9.02 -0.35 3.38 0.50 -3.47 115.31 105.14 1v31 h LEU 45 Ca -0.53 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 56.81 1v31 h LEU 45 Cb 1.35 0.00 0.15 0.00 0.09 0.00 0.00 40.66 42.25 1v31 h LEU 45 CO 0.72 0.51 -0.87 1.67 0.09 0.00 0.00 178.44 180.55 1v31 n GLN 46 N -3.11 0.04 -3.60 1.13 7.27 -1.25 -0.02 117.38 117.84 1v31 n GLN 46 Ca -0.02 0.01 -0.36 0.00 0.07 0.00 0.00 57.00 56.71 1v31 n GLN 46 Cb 0.76 -1.03 -0.07 0.00 2.41 0.00 0.00 30.24 32.30 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 -1.00 6.35 0.21 1.69 -0.87 -1.16 -4.61 114.94 115.56 1v31 s ASN 47 Ca 0.60 0.41 0.08 0.00 -1.57 0.00 0.00 52.86 52.38 1v31 s ASN 47 Cb -0.67 -2.15 0.15 0.00 -0.02 0.00 0.00 41.25 38.56 1v31 s ASN 47 CO 0.62 0.12 1.49 1.55 -2.57 0.00 0.00 177.10 178.30 1v31 h PRO 48 N 6.73 0.03 -0.10 -0.60 0.13 -1.91 -3.23 132.00 133.06 1v31 h PRO 48 Ca -0.41 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.67 1v31 h PRO 48 Cb 1.16 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.29 1v31 h PRO 48 CO 0.75 0.77 -0.04 -0.91 -0.23 0.00 0.00 178.00 178.34 1v31 h ASN 49 N 0.02 0.21 -3.20 1.44 2.35 -1.97 -3.42 115.58 111.01 1v31 h ASN 49 Ca -0.01 -0.41 -0.51 0.00 -0.55 0.00 0.00 56.30 54.82 1v31 h ASN 49 Cb 1.34 -0.06 -0.37 0.00 0.05 0.00 0.00 38.32 39.28 1v31 h ASN 49 CO 0.10 0.57 -0.80 -1.81 -1.65 0.00 0.00 177.43 173.85 1v31 s ASP 50 N -5.84 2.06 0.08 5.81 1.01 -1.22 -4.99 116.67 113.58 1v31 s ASP 50 Ca -0.15 -0.26 0.23 0.00 0.71 0.00 0.00 52.55 53.08 1v31 s ASP 50 Cb 0.04 -0.76 0.92 0.00 1.01 0.00 0.00 42.92 44.13 1v31 s ASP 50 CO 0.71 -0.13 1.71 -0.81 0.21 0.00 0.00 175.17 176.87 1v31 n PRO 51 N 4.96 0.08 0.05 8.23 -0.04 -1.23 -2.56 135.00 144.49 1v31 n PRO 51 Ca -0.12 0.19 -0.05 0.00 -0.04 0.00 0.00 63.50 63.49 1v31 n PRO 51 Cb 0.50 -1.62 -0.10 0.00 -0.04 0.00 0.00 33.50 32.24 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 -1.25 3.54 0.87 -1.94 -3.47 113.55 111.30 1v31 h SER 52 Ca 0.00 0.00 -0.45 0.00 -1.23 0.00 0.00 61.79 60.11 1v31 h SER 52 Cb 0.44 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1v31 h SER 52 CO 0.00 0.87 -0.24 -0.36 -0.53 0.00 0.00 176.83 176.57 1v31 s PHE 53 N -2.75 2.40 0.07 2.24 0.08 -1.06 0.19 117.98 119.16 1v31 s PHE 53 Ca -0.01 -0.51 -0.21 0.00 0.12 0.00 0.00 56.93 56.32 1v31 s PHE 53 Cb 0.09 -2.29 0.05 0.00 -0.57 0.00 0.00 43.02 40.30 1v31 s PHE 53 CO 0.81 -0.56 0.51 -0.59 -0.10 0.00 0.00 175.22 175.29 1v31 s PHE 54 N -2.46 -0.40 0.29 0.36 -0.12 0.25 -3.00 117.98 112.90 1v31 s PHE 54 Ca 0.55 0.37 -0.29 0.00 -0.05 0.00 0.00 56.93 57.51 1v31 s PHE 54 Cb -0.08 0.35 -0.09 0.00 -0.63 0.00 0.00 43.02 42.57 1v31 s PHE 54 CO 0.33 -0.67 1.07 -0.80 -0.05 0.00 0.00 175.22 175.10 1v31 s ASN 55 N -2.18 7.26 -0.37 1.98 0.01 0.97 -1.80 114.94 120.81 1v31 s ASN 55 Ca -0.03 2.19 -0.08 0.00 -0.71 0.00 0.00 52.86 54.22 1v31 s ASN 55 Cb -0.00 -2.62 0.04 0.00 0.41 0.00 0.00 41.25 39.08 1v31 s ASN 55 CO -0.04 -0.14 0.17 0.00 -1.51 0.00 0.00 177.10 175.58 1v31 n ASP 57 N 4.89 -1.90 0.26 0.00 8.00 -1.26 -4.52 116.55 122.02 1v31 n ASP 57 Ca -0.12 -0.66 0.09 0.00 0.71 0.00 0.00 54.79 54.82 1v31 n ASP 57 Cb 0.45 -0.42 0.68 0.00 -0.02 0.00 0.00 41.12 41.80 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 -2.43 1.89 -0.53 2.24 0.00 -1.98 0.12 119.26 118.58 1v31 h ALA 58 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1v31 h ALA 58 Cb 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1v31 h ALA 58 CO 0.11 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.38 1v31 n ALA 59 N -2.50 -0.10 -0.57 0.00 0.00 -1.26 -2.48 120.51 113.60 1v31 n ALA 59 Ca -0.03 0.00 0.47 0.00 0.00 0.00 0.00 53.44 53.88 1v31 n ALA 59 Cb 0.10 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.32 1v31 n ALA 59 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1v31 h LEU 60 N 0.00 0.00 0.48 0.00 3.38 -1.87 0.31 115.31 117.61 1v31 h LEU 60 Ca 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1v31 h LEU 60 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1v31 h LEU 60 CO 0.00 0.00 -0.23 1.56 0.09 0.00 0.00 178.44 179.86 1v31 h GLN 61 N 0.00 -0.62 -1.51 1.13 4.20 -1.01 0.30 115.11 117.61 1v31 h GLN 61 Ca 0.81 0.04 0.44 0.00 0.06 0.00 0.00 58.65 60.00 1v31 h GLN 61 Cb 3.38 0.14 -0.06 0.00 0.30 0.00 0.00 27.48 31.24 1v31 h GLN 61 CO -0.01 -0.41 1.20 0.87 -0.67 0.00 0.00 178.83 179.81 1v31 h LYS 62 N -0.78 0.00 0.00 1.46 1.79 -0.08 1.50 116.57 120.46 1v31 h LYS 62 Ca -0.07 0.00 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 1v31 h LYS 62 Cb 0.49 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 1v31 h LYS 62 CO 0.11 0.00 -0.00 0.28 -1.08 0.00 0.00 179.45 178.76 1v31 h VAL 63 N 0.00 0.00 0.11 0.50 2.07 -1.09 -3.43 116.25 114.40 1v31 h VAL 63 Ca 0.72 -0.05 -0.01 0.00 0.82 0.00 0.00 66.70 68.18 1v31 h VAL 63 Cb 3.11 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1v31 h VAL 63 CO -0.01 0.00 -0.05 -0.26 0.02 0.00 0.00 177.57 177.27 1v31 h PHE 64 N -0.05 -0.13 0.00 1.57 0.04 0.13 -3.49 116.94 115.01 1v31 h PHE 64 Ca -0.00 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1v31 h PHE 64 Cb 0.00 0.04 0.00 0.00 2.20 0.00 0.00 35.95 38.19 1v31 h PHE 64 CO 0.00 -0.08 0.00 0.41 -0.60 0.00 0.00 178.31 178.04 1v31 n GLY 65 N 1.18 1.27 3.68 -1.45 0.00 0.50 -5.01 105.19 105.35 1v31 n GLY 65 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.45 2.14 0.11 1.61 0.41 -1.26 -5.02 118.70 116.23 1v31 s GLU 66 Ca 0.00 -1.82 -0.09 0.00 -0.41 0.00 0.00 54.97 52.65 1v31 s GLU 66 Cb 0.00 -1.93 -0.13 0.00 -1.78 0.00 0.00 34.13 30.30 1v31 s GLU 66 CO 0.00 0.01 1.29 1.05 -0.49 0.00 0.00 175.26 177.12 1v31 h GLU 67 N 1.64 0.61 -3.89 1.61 4.11 -1.95 -3.42 114.58 113.29 1v31 h GLU 67 Ca -0.43 -0.58 -0.10 0.00 0.07 0.00 0.00 59.36 58.32 1v31 h GLU 67 Cb 1.25 0.15 -0.14 0.00 0.50 0.00 0.00 28.75 30.51 1v31 h GLU 67 CO 0.70 1.20 -0.39 -1.59 0.07 0.00 0.00 179.01 179.00 1v31 s LYS 68 N -3.48 0.94 0.16 1.06 -2.85 -1.26 0.10 119.74 114.41 1v31 s LYS 68 Ca -0.08 -1.07 -0.11 0.00 -1.00 0.00 0.00 55.97 53.71 1v31 s LYS 68 Cb 0.08 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 36.20 1v31 s LYS 68 CO 0.89 -0.31 0.32 -1.17 0.10 0.00 0.00 175.35 175.18 1v31 s LEU 69 N -2.91 0.85 0.34 2.77 0.20 -0.75 -4.92 118.68 114.26 1v31 s LEU 69 Ca 0.10 -0.74 -0.19 0.00 0.69 0.00 0.00 54.13 53.99 1v31 s LEU 69 Cb 0.05 1.37 -0.10 0.00 -0.43 0.00 0.00 46.19 47.08 1v31 s LEU 69 CO -0.07 -0.89 0.82 -0.54 -0.29 0.00 0.00 176.35 175.38 1v31 s LYS 70 N -3.93 4.18 0.31 1.98 1.02 -1.26 -0.58 119.74 121.46 1v31 s LYS 70 Ca 0.13 0.91 0.25 0.00 0.02 0.00 0.00 55.97 57.29 1v31 s LYS 70 Cb 0.03 -2.47 1.06 0.00 -0.52 0.00 0.00 37.83 35.93 1v31 s LYS 70 CO -0.03 0.15 1.76 0.74 -0.92 0.00 0.00 175.35 177.05 1v31 h PHE 71 N 2.45 0.00 0.02 3.18 0.04 0.17 -2.45 116.94 120.36 1v31 h PHE 71 Ca -0.48 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 59.91 1v31 h PHE 71 Cb 1.18 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 39.27 1v31 h PHE 71 CO 0.62 0.00 -2.36 0.25 -0.60 0.00 0.00 178.31 176.22 1v31 n THR 72 N -2.37 1.54 0.25 -1.55 -2.24 -1.26 -4.28 114.28 104.38 1v31 n THR 72 Ca 0.02 -0.61 0.09 0.00 -2.27 0.00 0.00 64.05 61.27 1v31 n THR 72 Cb 0.23 -1.41 0.65 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 0.01 0.00 -0.60 -0.78 2.86 -1.89 -3.08 114.93 111.45 1v31 h MET 73 Ca -0.54 0.00 0.05 0.00 -2.06 0.00 0.00 59.70 57.15 1v31 h MET 73 Cb 1.95 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 33.54 1v31 h MET 73 CO -0.04 0.08 -0.36 0.28 1.06 0.00 0.00 176.91 177.93 1v31 h VAL 74 N 0.00 0.00 -0.97 -2.22 2.07 -1.62 0.42 116.25 113.92 1v31 h VAL 74 Ca -0.00 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.67 1v31 h VAL 74 Cb 0.17 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.78 1v31 h VAL 74 CO 0.01 0.00 -0.38 0.77 0.02 0.00 0.00 177.57 177.99 1v31 h SER 75 N -0.01 -1.40 -0.76 0.57 4.64 -1.81 1.88 113.55 116.67 1v31 h SER 75 Ca 0.10 0.31 0.08 0.00 -0.47 0.00 0.00 61.79 61.80 1v31 h SER 75 Cb 0.26 0.74 -0.07 0.00 -0.31 0.00 0.00 62.40 63.02 1v31 h SER 75 CO -0.57 -0.29 0.42 -0.61 -0.87 0.00 0.00 176.83 174.91 1v31 h GLN 76 N -0.01 0.71 0.00 4.77 4.15 -0.52 0.32 115.11 124.53 1v31 h GLN 76 Ca 0.35 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.72 1v31 h GLN 76 Cb 0.60 -0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.13 1v31 h GLN 76 CO -0.97 0.47 0.00 1.63 -1.93 0.00 0.00 178.83 178.02 1v31 n LYS 77 N -4.78 0.00 -0.58 1.69 4.76 0.38 -3.30 118.16 116.33 1v31 n LYS 77 Ca 0.11 0.45 0.45 0.00 -2.87 0.00 0.00 58.31 56.46 1v31 n LYS 77 Cb 0.24 -1.16 0.72 0.00 -1.84 0.00 0.00 35.03 32.99 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 -1.86 -0.09 -0.20 -0.18 -6.64 0.55 0.69 119.36 111.63 1v31 n ILE 78 Ca 0.00 1.50 -0.08 0.00 -1.77 0.00 0.00 62.75 62.40 1v31 n ILE 78 Cb 0.00 -2.49 -0.04 0.00 -1.44 0.00 0.00 39.64 35.67 1v31 n ILE 78 CO 0.00 0.00 0.00 0.77 -1.77 0.00 0.00 176.55 175.55 1v31 h SER 79 N 0.00 -1.48 -0.91 7.28 4.64 -0.35 1.53 113.55 124.26 1v31 h SER 79 Ca 0.86 0.24 0.26 0.00 -0.47 0.00 0.00 61.79 62.68 1v31 h SER 79 Cb 3.21 0.67 -0.04 0.00 -0.31 0.00 0.00 62.40 65.93 1v31 h SER 79 CO -0.17 -0.34 0.65 -0.74 -0.87 0.00 0.00 176.83 175.36 1v31 h HIS 80 N -0.23 0.10 0.02 4.77 -0.00 0.16 0.88 115.15 120.84 1v31 h HIS 80 Ca 0.18 0.00 -0.25 0.00 -0.00 0.00 0.00 60.37 60.30 1v31 h HIS 80 Cb 0.56 -0.03 -0.03 0.00 -0.00 0.00 0.00 27.41 27.91 1v31 h HIS 80 CO -0.70 0.02 -1.26 0.45 -0.00 0.00 0.00 177.93 176.44 1v31 h HIS 81 N 0.07 0.06 -2.07 5.26 3.86 0.15 -3.44 115.15 119.04 1v31 h HIS 81 Ca 0.44 -0.05 -0.58 0.00 -1.16 0.00 0.00 60.37 59.03 1v31 h HIS 81 Cb 1.65 -0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.12 1v31 h HIS 81 CO -0.00 1.05 1.45 -0.51 0.86 0.00 0.00 177.93 180.78 1v31 s LEU 82 N -6.58 3.59 0.26 2.43 1.43 0.41 -4.46 118.68 115.76 1v31 s LEU 82 Ca -0.02 1.99 0.10 0.00 -1.03 0.00 0.00 54.13 55.17 1v31 s LEU 82 Cb 0.09 -3.51 -0.05 0.00 0.03 0.00 0.00 46.19 42.74 1v31 s LEU 82 CO 0.83 -1.82 -0.15 -0.44 0.23 0.00 0.00 176.35 174.99 1v31 s SER 83 N 7.66 3.14 -0.06 2.29 0.01 -1.09 -4.92 113.70 120.73 1v31 s SER 83 Ca 0.98 -1.06 -0.30 0.00 1.31 0.00 0.00 55.95 56.88 1v31 s SER 83 Cb -0.34 -0.23 -0.03 0.00 0.21 0.00 0.00 66.02 65.63 1v31 s SER 83 CO 0.36 -0.11 1.22 -2.16 0.41 0.00 0.00 173.24 172.96 1v31 s PRO 84 N -3.59 4.34 0.96 12.44 0.04 -1.26 0.19 135.00 148.10 1v31 s PRO 84 Ca 0.27 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.87 1v31 s PRO 84 Cb -0.02 -3.57 0.17 0.00 0.04 0.00 0.00 34.50 31.12 1v31 s PRO 84 CO 0.12 -0.48 1.16 -1.25 0.04 0.00 0.00 177.00 176.59 1v31 s PRO 85 N 2.33 0.73 -0.33 0.56 0.04 -1.26 -4.69 135.00 132.39 1v31 s PRO 85 Ca 0.56 0.13 -0.29 0.00 0.04 0.00 0.00 61.00 61.45 1v31 s PRO 85 Cb -0.25 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1v31 s PRO 85 CO 0.22 -2.44 1.37 -1.25 0.04 0.00 0.00 177.00 174.93 1v31 s PRO 86 N -5.39 3.80 -0.06 0.56 0.04 -1.26 -4.92 135.00 127.77 1v31 s PRO 86 Ca 0.66 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 -0.05 0.00 0.04 0.00 0.00 34.50 30.43 1v31 s PRO 86 CO 0.54 -1.27 0.39 -1.00 0.04 0.00 0.00 177.00 175.69 1v31 h PRO 87 N 9.86 -0.32 0.00 0.56 0.13 -1.93 -3.48 132.00 136.82 1v31 h PRO 87 Ca -0.27 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1v31 h PRO 87 Cb 1.11 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.31 1v31 h PRO 87 CO 1.05 -0.21 0.00 -1.13 -0.23 0.00 0.00 178.00 177.47 1v31 n SER 88 N -4.89 -1.25 -0.09 1.44 3.41 -1.26 -5.14 113.62 105.84 1v31 n SER 88 Ca -0.04 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.06 1v31 n SER 88 Cb 0.13 1.32 0.00 0.00 -0.26 0.00 0.00 64.21 65.40 1v31 n SER 88 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1v31 n GLY 89 N 0.43 1.83 3.57 5.00 0.00 -1.26 -4.97 105.19 109.80 1v31 n GLY 89 Ca 0.00 -2.02 -0.35 0.00 0.00 0.00 0.00 46.02 43.65 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 2.95 3.19 -0.11 1.61 0.04 -1.26 -4.45 135.00 136.96 1v31 s PRO 90 Ca 0.00 -1.20 -0.03 0.00 0.04 0.00 0.00 61.00 59.82 1v31 s PRO 90 Cb 0.00 -5.31 0.00 0.00 0.04 0.00 0.00 34.50 29.23 1v31 s PRO 90 CO 0.00 -2.95 0.05 0.43 0.04 0.00 0.00 177.00 174.58 1v31 n SER 91 N 11.31 -6.89 -3.67 6.66 7.64 -1.26 -5.02 113.62 122.39 1v31 n SER 91 Ca 0.42 0.63 -0.10 0.00 1.01 0.00 0.00 58.87 60.83 1v31 n SER 91 Cb 0.48 -2.58 -0.09 0.00 -1.01 0.00 0.00 64.21 61.01 1v31 n SER 91 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1v31 s SER 92 N -1.22 -0.72 0.00 6.43 0.01 -1.26 -5.12 113.70 111.82 1v31 s SER 92 Ca 0.03 1.23 0.20 0.00 1.31 0.00 0.00 55.95 58.72 1v31 s SER 92 Cb -0.00 1.14 0.16 0.00 0.21 0.00 0.00 66.02 67.53 1v31 s SER 92 CO 0.26 -0.22 1.15 0.61 0.41 0.00 0.00 173.24 175.45