#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 -6.50 0.17 1.61 2.88 -1.26 -4.93 113.62 105.60 1v31 n SER 2 Ca 0.00 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.89 1v31 n SER 2 Cb 0.00 -2.38 0.00 0.00 -0.75 0.00 0.00 64.21 61.08 1v31 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1v31 n SER 3 N 0.58 -2.22 0.00 -3.46 7.64 -1.26 -5.17 113.62 109.74 1v31 n SER 3 Ca -0.02 0.63 0.00 0.00 1.01 0.00 0.00 58.87 60.49 1v31 n SER 3 Cb 0.50 2.18 0.00 0.00 -1.01 0.00 0.00 64.21 65.88 1v31 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v31 n GLY 4 N -0.26 -0.59 2.77 0.23 0.00 -1.26 -5.07 105.19 101.01 1v31 n GLY 4 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -4.00 3.82 -0.04 1.61 0.15 -1.26 -4.96 113.70 109.01 1v31 s SER 5 Ca 0.00 -2.63 -0.24 0.00 0.70 0.00 0.00 55.95 53.78 1v31 s SER 5 Cb 0.00 -1.15 -0.19 0.00 -1.71 0.00 0.00 66.02 62.97 1v31 s SER 5 CO 0.00 -0.27 1.05 0.28 1.20 0.00 0.00 173.24 175.50 1v31 h SER 6 N 6.78 -0.10 0.00 5.45 0.02 -2.04 -3.42 113.55 120.24 1v31 h SER 6 Ca -0.03 -0.46 0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1v31 h SER 6 Cb 0.93 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1v31 h SER 6 CO 0.52 0.46 0.00 0.61 -1.14 0.00 0.00 176.83 177.28 1v31 n GLY 7 N 0.49 0.90 3.20 -3.77 0.00 -1.26 -5.03 105.19 99.72 1v31 n GLY 7 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 1v31 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v31 s VAL 8 N -0.04 0.01 1.10 1.61 0.11 -1.26 -5.17 120.40 116.76 1v31 s VAL 8 Ca 0.00 -0.06 -0.18 0.00 -2.93 0.00 0.00 61.98 58.81 1v31 s VAL 8 Cb 0.00 -0.45 0.25 0.00 -1.53 0.00 0.00 36.38 34.65 1v31 s VAL 8 CO 0.00 -0.03 1.23 -2.16 -3.33 0.00 0.00 175.10 170.80 1v31 s PRO 9 N -0.02 -0.42 0.26 1.54 0.04 -1.26 -5.01 135.00 130.13 1v31 s PRO 9 Ca -0.02 -0.30 0.01 0.00 0.04 0.00 0.00 61.00 60.73 1v31 s PRO 9 Cb -0.03 -1.71 0.01 0.00 0.04 0.00 0.00 34.50 32.81 1v31 s PRO 9 CO 0.01 -3.14 0.07 -0.85 0.04 0.00 0.00 177.00 173.13 1v31 n GLU 10 N -4.30 1.28 -4.24 4.56 0.00 -1.26 -5.09 120.64 111.59 1v31 n GLU 10 Ca 0.15 -1.80 -0.34 0.00 0.00 0.00 0.00 57.16 55.17 1v31 n GLU 10 Cb 0.59 0.38 -0.08 0.00 0.00 0.00 0.00 31.44 32.34 1v31 n GLU 10 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 1v31 s LYS 11 N -2.98 3.02 -0.15 3.44 1.02 -1.26 -4.13 119.74 118.69 1v31 s LYS 11 Ca 0.05 -0.43 0.01 0.00 0.02 0.00 0.00 55.97 55.63 1v31 s LYS 11 Cb -0.00 -2.83 0.02 0.00 -0.52 0.00 0.00 37.83 34.49 1v31 s LYS 11 CO 0.03 0.69 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.90 1v31 s PHE 12 N -1.01 2.52 0.46 3.18 0.40 0.49 -4.70 117.98 119.32 1v31 s PHE 12 Ca 0.17 -1.38 -0.22 0.00 -0.60 0.00 0.00 56.93 54.89 1v31 s PHE 12 Cb -0.12 -1.76 -0.10 0.00 0.51 0.00 0.00 43.02 41.55 1v31 s PHE 12 CO 0.06 -0.69 0.80 1.17 0.70 0.00 0.00 175.22 177.27 1v31 n LYS 13 N 4.45 0.94 -3.51 0.44 0.00 0.54 -3.54 118.16 117.48 1v31 n LYS 13 Ca -0.20 0.34 -0.27 0.00 0.00 0.00 0.00 58.31 58.19 1v31 n LYS 13 Cb 0.51 -1.85 -0.03 0.00 0.00 0.00 0.00 35.03 33.66 1v31 n LYS 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 1v31 s LEU 14 N 0.16 4.13 0.71 3.14 1.02 -0.65 -2.95 118.68 124.23 1v31 s LEU 14 Ca 0.66 0.52 -0.07 0.00 0.02 0.00 0.00 54.13 55.25 1v31 s LEU 14 Cb -0.54 -3.32 0.06 0.00 0.02 0.00 0.00 46.19 42.41 1v31 s LEU 14 CO 0.56 -0.15 1.03 -0.44 0.02 0.00 0.00 176.35 177.37 1v31 s SER 15 N -3.34 4.80 0.12 2.29 0.01 -1.26 -4.79 113.70 111.51 1v31 s SER 15 Ca 0.41 0.49 -0.21 0.00 1.31 0.00 0.00 55.95 57.96 1v31 s SER 15 Cb -0.11 -1.13 -0.07 0.00 0.21 0.00 0.00 66.02 64.92 1v31 s SER 15 CO 0.31 -1.62 1.74 0.74 0.41 0.00 0.00 173.24 174.82 1v31 h THR 16 N -0.64 0.95 -0.09 1.44 2.02 -1.98 1.07 112.91 115.68 1v31 h THR 16 Ca -0.45 -0.03 -0.07 0.00 0.77 0.00 0.00 66.41 66.63 1v31 h THR 16 Cb 1.32 0.84 0.00 0.00 -1.74 0.00 0.00 68.15 68.57 1v31 h THR 16 CO 0.61 0.02 -0.21 0.00 0.37 0.00 0.00 175.52 176.30 1v31 h ALA 17 N 1.10 0.14 -0.71 6.16 0.00 -1.94 -2.07 119.26 121.94 1v31 h ALA 17 Ca 0.06 -0.38 0.08 0.00 0.00 0.00 0.00 54.91 54.67 1v31 h ALA 17 Cb 0.05 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.78 1v31 h ALA 17 CO -0.08 0.10 0.47 1.25 0.00 0.00 0.00 179.25 180.99 1v31 h LEU 18 N -0.17 0.60 -0.62 0.00 5.85 -1.81 0.14 115.31 119.29 1v31 h LEU 18 Ca -0.00 0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.59 1v31 h LEU 18 Cb 0.82 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 1v31 h LEU 18 CO 0.05 0.37 -0.40 0.24 -0.34 0.00 0.00 178.44 178.36 1v31 h MET 19 N 0.67 0.63 0.00 1.25 2.86 0.13 -2.23 114.93 118.23 1v31 h MET 19 Ca 0.32 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1v31 h MET 19 Cb 0.37 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1v31 h MET 19 CO -0.11 0.92 0.00 -3.47 1.06 0.00 0.00 176.91 175.31 1v31 n ASP 20 N -4.03 0.37 0.10 1.22 2.03 -0.08 0.16 116.55 116.33 1v31 n ASP 20 Ca -0.02 0.55 -0.23 0.00 0.52 0.00 0.00 54.79 55.61 1v31 n ASP 20 Cb 0.52 -0.64 -0.15 0.00 -0.72 0.00 0.00 41.12 40.13 1v31 n ASP 20 CO 0.00 0.00 0.00 0.58 -1.92 0.00 0.00 177.20 175.86 1v31 h VAL 21 N 0.00 1.31 0.00 5.18 2.07 -0.23 -3.43 116.25 121.15 1v31 h VAL 21 Ca 0.00 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 64.90 1v31 h VAL 21 Cb 0.54 3.06 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 1v31 h VAL 21 CO 0.00 0.78 -0.42 0.18 0.02 0.00 0.00 177.57 178.13 1v31 n LEU 22 N -3.85 1.29 0.00 2.57 4.77 -0.97 -5.01 117.00 115.80 1v31 n LEU 22 Ca -0.17 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.01 1v31 n LEU 22 Cb 1.01 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 1v31 n LEU 22 CO 0.55 -0.51 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1v31 n GLY 23 N 2.49 1.54 0.00 -0.72 0.00 0.43 -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 -0.03 0.00 0.00 -0.61 -5.35 -1.24 -5.05 119.36 107.08 1v31 n ILE 24 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1v31 n ILE 24 Cb 0.00 -0.39 0.00 0.00 -1.74 0.00 0.00 39.64 37.51 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 -0.36 0.00 -3.62 6.28 2.13 -1.26 -4.75 120.64 119.06 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 -0.18 -0.15 0.00 0.27 0.00 0.00 31.44 31.38 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 -1.54 0.33 0.34 6.31 1.01 -1.26 -1.64 120.40 123.94 1v31 s VAL 26 Ca 0.00 -1.02 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1v31 s VAL 26 Cb 0.00 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 1v31 s VAL 26 CO 0.00 -0.70 0.07 1.21 0.00 0.00 0.00 175.10 175.68 1v31 n GLU 27 N 5.08 0.80 -0.56 2.72 4.07 -1.23 -4.91 120.64 126.61 1v31 n GLU 27 Ca -0.04 -2.72 0.00 0.00 -0.06 0.00 0.00 57.16 54.34 1v31 n GLU 27 Cb 0.42 1.21 0.00 0.00 -0.06 0.00 0.00 31.44 33.01 1v31 n GLU 27 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1v31 n THR 28 N -0.80 0.00 0.02 6.31 -2.24 -1.26 0.18 114.28 116.50 1v31 n THR 28 Ca -0.08 0.00 -0.20 0.00 -2.27 0.00 0.00 64.05 61.50 1v31 n THR 28 Cb 0.48 -1.37 -0.14 0.00 -2.10 0.00 0.00 70.33 67.20 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 0.24 -0.06 -0.78 2.43 -1.94 -3.20 114.38 111.08 1v31 h ARG 29 Ca 0.00 -0.42 -0.25 0.00 -0.81 0.00 0.00 59.98 58.50 1v31 h ARG 29 Cb 0.00 0.16 0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1v31 h ARG 29 CO 0.00 1.20 -0.95 -1.00 -1.51 0.00 0.00 179.97 177.71 1v31 h PRO 30 N -0.46 0.73 -0.35 0.20 0.13 -1.96 -2.68 132.00 127.61 1v31 h PRO 30 Ca -0.16 -0.71 0.07 0.00 -0.87 0.00 0.00 66.00 64.34 1v31 h PRO 30 Cb 1.57 0.18 -0.07 0.00 0.13 0.00 0.00 31.00 32.82 1v31 h PRO 30 CO 0.11 1.29 -0.12 0.00 -0.23 0.00 0.00 178.00 179.05 1v31 h ARG 31 N 0.44 -0.05 0.62 0.86 2.47 -1.96 0.31 114.38 117.07 1v31 h ARG 31 Ca -0.10 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.59 1v31 h ARG 31 Cb 1.59 0.01 0.01 0.00 -1.65 0.00 0.00 29.97 29.93 1v31 h ARG 31 CO 0.19 -0.03 -0.30 0.82 0.56 0.00 0.00 179.97 181.21 1v31 h ILE 32 N -0.05 0.00 -0.97 2.04 2.04 -1.61 1.06 117.51 120.02 1v31 h ILE 32 Ca 0.17 -0.08 0.23 0.00 1.00 0.00 0.00 64.86 66.19 1v31 h ILE 32 Cb 0.31 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.21 1v31 h ILE 32 CO -0.39 0.00 -0.12 -0.38 0.00 0.00 0.00 178.15 177.27 1v31 n ILE 33 N -4.46 -0.41 -0.02 -0.67 5.41 -1.01 0.11 119.36 118.31 1v31 n ILE 33 Ca -0.10 2.18 -0.13 0.00 1.00 0.00 0.00 62.75 65.70 1v31 n ILE 33 Cb 0.33 -3.10 -0.09 0.00 -0.71 0.00 0.00 39.64 36.08 1v31 n ILE 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1v31 h ALA 34 N 1.94 0.06 -1.35 -1.39 0.00 -0.21 -1.32 119.26 117.00 1v31 h ALA 34 Ca 0.53 -0.22 0.39 0.00 0.00 0.00 0.00 54.91 55.61 1v31 h ALA 34 Cb 0.95 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1v31 h ALA 34 CO -0.96 -0.21 0.96 0.00 0.00 0.00 0.00 179.25 179.04 1v31 h ALA 35 N 0.62 3.19 0.16 0.00 0.00 0.85 1.63 119.26 125.72 1v31 h ALA 35 Ca 0.01 -0.03 -0.31 0.00 0.00 0.00 0.00 54.91 54.58 1v31 h ALA 35 Cb 0.44 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.34 1v31 h ALA 35 CO 0.01 -1.60 -1.51 0.82 0.00 0.00 0.00 179.25 176.97 1v31 h ILE 36 N 0.04 1.20 -0.28 0.00 2.04 -0.16 -1.52 117.51 118.83 1v31 h ILE 36 Ca 0.66 -2.77 0.01 0.00 1.00 0.00 0.00 64.86 63.76 1v31 h ILE 36 Cb 2.54 2.85 -0.02 0.00 -0.74 0.00 0.00 36.82 41.45 1v31 h ILE 36 CO -0.06 0.84 0.17 -0.50 0.00 0.00 0.00 178.15 178.60 1v31 h TRP 37 N 0.09 0.32 0.48 1.37 4.06 0.33 0.13 115.95 122.73 1v31 h TRP 37 Ca -0.24 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.69 1v31 h TRP 37 Cb 2.05 -0.10 0.00 0.00 -1.00 0.00 0.00 29.16 30.11 1v31 h TRP 37 CO 0.08 0.19 -0.23 1.25 -3.56 0.00 0.00 178.44 176.18 1v31 h HIS 38 N 0.35 -0.60 -0.74 0.49 -0.00 -0.36 -3.08 115.15 111.21 1v31 h HIS 38 Ca 0.11 -0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.55 1v31 h HIS 38 Cb -0.02 0.20 -0.11 0.00 -0.00 0.00 0.00 27.41 27.48 1v31 h HIS 38 CO -0.07 -0.28 -0.50 -0.92 -0.00 0.00 0.00 177.93 176.15 1v31 h TYR 39 N -1.02 -1.54 -0.86 5.26 3.20 -1.17 0.91 116.97 121.76 1v31 h TYR 39 Ca -0.07 0.10 0.08 0.00 3.14 0.00 0.00 58.73 61.98 1v31 h TYR 39 Cb 0.59 0.77 -0.11 0.00 1.54 0.00 0.00 36.73 39.52 1v31 h TYR 39 CO 0.01 -0.42 -0.56 0.28 -1.64 0.00 0.00 178.16 175.83 1v31 h VAL 40 N -0.15 0.00 -0.28 1.81 2.07 -0.80 1.54 116.25 120.44 1v31 h VAL 40 Ca 0.18 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.69 1v31 h VAL 40 Cb 0.53 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1v31 h VAL 40 CO -0.80 0.00 0.15 0.50 0.02 0.00 0.00 177.57 177.44 1v31 h LYS 41 N -0.07 0.38 0.22 1.57 3.64 -0.95 1.51 116.57 122.88 1v31 h LYS 41 Ca 0.14 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1v31 h LYS 41 Cb 0.43 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1v31 h LYS 41 CO -0.84 0.28 -0.46 0.00 -2.27 0.00 0.00 179.45 176.16 1v31 h ALA 42 N 1.78 -1.00 -0.35 5.00 0.00 0.95 -0.51 119.26 125.13 1v31 h ALA 42 Ca 0.10 -0.12 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 1v31 h ALA 42 Cb 0.02 0.79 -0.10 0.00 0.00 0.00 0.00 17.79 18.49 1v31 h ALA 42 CO -0.02 -1.09 0.26 0.54 0.00 0.00 0.00 179.25 178.94 1v31 n ARG 43 N -5.12 1.49 -4.11 0.00 3.00 0.22 -4.83 116.66 107.31 1v31 n ARG 43 Ca -0.09 -1.08 -0.39 0.00 -0.01 0.00 0.00 57.85 56.29 1v31 n ARG 43 Cb 0.38 -1.42 -0.02 0.00 0.00 0.00 0.00 32.46 31.39 1v31 n ARG 43 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1v31 n LYS 44 N 0.22 -0.50 -0.05 5.56 4.01 -0.20 -4.82 118.16 122.38 1v31 n LYS 44 Ca 0.21 0.03 -0.10 0.00 -0.51 0.00 0.00 58.31 57.94 1v31 n LYS 44 Cb 0.77 -2.58 -0.15 0.00 -0.51 0.00 0.00 35.03 32.56 1v31 n LYS 44 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1v31 n LEU 45 N -4.63 0.80 -4.19 -0.35 4.77 0.51 -4.96 117.00 108.96 1v31 n LEU 45 Ca -0.17 0.25 -0.43 0.00 -0.03 0.00 0.00 56.01 55.63 1v31 n LEU 45 Cb 0.56 0.15 -0.01 0.00 -2.33 0.00 0.00 43.42 41.78 1v31 n LEU 45 CO 0.73 0.47 -0.23 1.67 -1.33 0.00 0.00 177.39 178.70 1v31 n GLN 46 N -2.99 0.00 -3.81 3.23 7.27 -1.23 0.29 117.38 120.13 1v31 n GLN 46 Ca -0.24 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.47 1v31 n GLN 46 Cb 1.08 -0.96 -0.06 0.00 2.41 0.00 0.00 30.24 32.70 1v31 n GLN 46 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 1v31 s ASN 47 N -0.96 6.38 -0.08 1.69 3.84 -1.03 -4.54 114.94 120.23 1v31 s ASN 47 Ca 0.59 0.45 -0.23 0.00 0.21 0.00 0.00 52.86 53.87 1v31 s ASN 47 Cb -0.75 -2.09 -0.19 0.00 -0.55 0.00 0.00 41.25 37.68 1v31 s ASN 47 CO 0.57 0.34 0.87 1.55 -2.79 0.00 0.00 177.10 177.64 1v31 h PRO 48 N 5.40 -0.08 -0.82 0.43 0.13 -1.91 -3.25 132.00 131.90 1v31 h PRO 48 Ca -0.51 0.01 0.18 0.00 -0.87 0.00 0.00 66.00 64.81 1v31 h PRO 48 Cb 1.21 0.02 -0.15 0.00 0.13 0.00 0.00 31.00 32.21 1v31 h PRO 48 CO 0.63 0.53 -0.08 -0.91 -0.23 0.00 0.00 178.00 177.93 1v31 h ASN 49 N -0.83 -0.55 -3.31 1.44 2.35 -1.96 -3.36 115.58 109.36 1v31 h ASN 49 Ca -0.01 0.23 -0.46 0.00 -0.55 0.00 0.00 56.30 55.51 1v31 h ASN 49 Cb 0.64 0.44 -0.36 0.00 0.05 0.00 0.00 38.32 39.08 1v31 h ASN 49 CO 0.01 -0.25 -0.78 -1.81 -1.65 0.00 0.00 177.43 172.95 1v31 s ASP 50 N -5.19 1.60 0.35 5.81 1.01 -1.24 -5.00 116.67 114.00 1v31 s ASP 50 Ca -0.14 -0.18 0.26 0.00 0.71 0.00 0.00 52.55 53.21 1v31 s ASP 50 Cb 0.24 -0.59 0.89 0.00 1.01 0.00 0.00 42.92 44.46 1v31 s ASP 50 CO 0.76 -0.11 1.77 1.55 0.21 0.00 0.00 175.17 179.35 1v31 h PRO 51 N 7.84 0.00 0.08 8.23 0.13 -1.72 -3.00 132.00 143.56 1v31 h PRO 51 Ca -0.29 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.59 1v31 h PRO 51 Cb 1.14 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.28 1v31 h PRO 51 CO 0.38 0.00 -1.13 1.03 -0.23 0.00 0.00 178.00 178.05 1v31 h SER 52 N 0.00 0.49 -2.40 1.44 0.87 -1.95 -3.46 113.55 108.55 1v31 h SER 52 Ca 0.00 -0.47 -0.44 0.00 -1.23 0.00 0.00 61.79 59.65 1v31 h SER 52 Cb 0.64 -0.16 0.04 0.00 -0.44 0.00 0.00 62.40 62.48 1v31 h SER 52 CO 0.00 1.32 -0.07 -0.36 -0.53 0.00 0.00 176.83 177.19 1v31 s PHE 53 N -2.90 2.89 -0.07 2.24 0.08 -1.13 0.18 117.98 119.27 1v31 s PHE 53 Ca -0.05 -0.04 -0.22 0.00 0.12 0.00 0.00 56.93 56.75 1v31 s PHE 53 Cb 0.08 -2.65 0.05 0.00 -0.57 0.00 0.00 43.02 39.92 1v31 s PHE 53 CO 0.88 -0.76 0.50 -0.59 -0.10 0.00 0.00 175.22 175.15 1v31 s PHE 54 N -2.68 -0.45 0.55 0.36 -0.12 -0.32 -2.46 117.98 112.85 1v31 s PHE 54 Ca 0.56 0.84 -0.18 0.00 -0.05 0.00 0.00 56.93 58.11 1v31 s PHE 54 Cb -0.10 0.24 -0.06 0.00 -0.63 0.00 0.00 43.02 42.47 1v31 s PHE 54 CO 0.38 -0.45 1.05 -0.80 -0.05 0.00 0.00 175.22 175.35 1v31 s ASN 55 N -0.92 5.99 0.23 1.98 0.01 0.14 -2.53 114.94 119.83 1v31 s ASN 55 Ca -0.10 1.88 -0.07 0.00 -0.71 0.00 0.00 52.86 53.86 1v31 s ASN 55 Cb -0.03 -2.55 -0.06 0.00 0.41 0.00 0.00 41.25 39.02 1v31 s ASN 55 CO 0.06 -1.03 0.51 0.00 -1.51 0.00 0.00 177.10 175.13 1v31 n ASP 57 N -0.28 1.93 0.00 0.00 9.92 -1.26 -5.01 116.55 121.85 1v31 n ASP 57 Ca -0.01 0.35 0.00 0.00 -0.53 0.00 0.00 54.79 54.60 1v31 n ASP 57 Cb 0.53 -0.86 0.00 0.00 -0.64 0.00 0.00 41.12 40.15 1v31 n ASP 57 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1v31 n ALA 58 N -3.92 0.00 0.06 2.24 0.00 -1.26 -4.94 120.51 112.69 1v31 n ALA 58 Ca -0.47 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.06 1v31 n ALA 58 Cb 0.83 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.22 1v31 n ALA 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1v31 n ALA 59 N 0.00 2.46 0.17 0.00 0.00 -1.26 -3.82 120.51 118.07 1v31 n ALA 59 Ca 0.00 -0.37 0.05 0.00 0.00 0.00 0.00 53.44 53.11 1v31 n ALA 59 Cb 0.00 -0.98 0.23 0.00 0.00 0.00 0.00 19.45 18.70 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 0.26 0.00 3.38 -1.92 -3.24 115.31 113.79 1v31 h LEU 60 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 1v31 h LEU 60 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 1v31 h LEU 60 CO 0.01 0.42 -0.12 1.56 0.09 0.00 0.00 178.44 180.40 1v31 h GLN 61 N 0.00 -0.33 -1.89 1.13 1.08 -1.84 -0.70 115.11 112.55 1v31 h GLN 61 Ca -0.00 0.02 0.56 0.00 -1.45 0.00 0.00 58.65 57.78 1v31 h GLN 61 Cb 1.07 0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 28.49 1v31 h GLN 61 CO 0.05 -0.22 1.35 1.63 -0.95 0.00 0.00 178.83 180.70 1v31 n LYS 62 N -3.35 -0.00 0.03 1.46 4.76 -1.25 0.18 118.16 119.99 1v31 n LYS 62 Ca -0.04 1.08 -0.01 0.00 -2.87 0.00 0.00 58.31 56.46 1v31 n LYS 62 Cb 0.14 -2.46 -0.01 0.00 -1.84 0.00 0.00 35.03 30.86 1v31 n LYS 62 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1v31 h VAL 63 N 0.00 0.00 0.00 -0.18 2.07 -1.55 -3.43 116.25 113.17 1v31 h VAL 63 Ca 0.92 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 68.26 1v31 h VAL 63 Cb 3.64 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 33.41 1v31 h VAL 63 CO -0.06 0.00 -0.11 -0.26 0.02 0.00 0.00 177.57 177.17 1v31 h PHE 64 N -0.28 0.00 0.00 1.57 0.04 0.11 -3.50 116.94 114.88 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 0.07 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.22 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 1.80 1.19 3.46 -1.45 0.00 0.49 -5.01 105.19 105.67 1v31 n GLY 65 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.24 2.57 0.33 1.61 2.02 -1.26 -5.00 118.70 118.73 1v31 s GLU 66 Ca 0.00 -0.70 0.12 0.00 0.02 0.00 0.00 54.97 54.41 1v31 s GLU 66 Cb 0.00 -2.39 1.00 0.00 0.10 0.00 0.00 34.13 32.84 1v31 s GLU 66 CO 0.00 0.59 1.68 1.05 0.02 0.00 0.00 175.26 178.60 1v31 h GLU 67 N 5.47 0.39 -4.22 1.61 4.11 -1.98 -3.42 114.58 116.54 1v31 h GLU 67 Ca -0.45 -0.02 -0.13 0.00 0.07 0.00 0.00 59.36 58.83 1v31 h GLU 67 Cb 1.16 -0.09 -0.15 0.00 0.50 0.00 0.00 28.75 30.17 1v31 h GLU 67 CO 0.51 0.26 -0.61 -1.59 0.07 0.00 0.00 179.01 177.65 1v31 s LYS 68 N -5.71 0.76 0.14 1.06 -2.85 -1.26 -0.29 119.74 111.59 1v31 s LYS 68 Ca -0.10 -1.25 -0.09 0.00 -1.00 0.00 0.00 55.97 53.53 1v31 s LYS 68 Cb 0.29 0.25 -0.01 0.00 -2.06 0.00 0.00 37.83 36.30 1v31 s LYS 68 CO 0.79 -0.19 0.26 -1.17 0.10 0.00 0.00 175.35 175.14 1v31 s LEU 69 N -2.95 1.08 0.60 2.77 0.20 -1.05 -4.94 118.68 114.38 1v31 s LEU 69 Ca 0.12 -0.81 -0.09 0.00 0.69 0.00 0.00 54.13 54.05 1v31 s LEU 69 Cb 0.07 1.15 -0.02 0.00 -0.43 0.00 0.00 46.19 46.96 1v31 s LEU 69 CO -0.06 -0.85 0.96 -0.54 -0.29 0.00 0.00 176.35 175.57 1v31 s LYS 70 N -3.94 3.35 0.18 1.98 1.02 -1.26 -1.18 119.74 119.89 1v31 s LYS 70 Ca 0.14 0.45 0.25 0.00 0.02 0.00 0.00 55.97 56.83 1v31 s LYS 70 Cb 0.04 -2.17 0.63 0.00 -0.52 0.00 0.00 37.83 35.81 1v31 s LYS 70 CO -0.03 -0.59 1.61 1.19 -0.92 0.00 0.00 175.35 176.61 1v31 n PHE 71 N -2.66 0.82 -0.11 3.18 3.72 0.48 -3.31 117.46 119.59 1v31 n PHE 71 Ca 0.05 0.24 -0.13 0.00 -0.05 0.00 0.00 57.45 57.56 1v31 n PHE 71 Cb 0.55 -0.85 -0.14 0.00 -0.94 0.00 0.00 39.48 38.10 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 -2.23 1.38 0.26 4.37 -2.24 -1.26 -4.30 114.28 110.25 1v31 n THR 72 Ca 0.05 -0.70 0.12 0.00 -2.27 0.00 0.00 64.05 61.24 1v31 n THR 72 Cb 0.44 -0.88 0.71 0.00 -2.10 0.00 0.00 70.33 68.50 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 0.00 0.00 -1.02 -0.78 2.86 -1.94 -2.22 114.93 111.83 1v31 h MET 73 Ca -0.54 0.00 0.28 0.00 -2.06 0.00 0.00 59.70 57.38 1v31 h MET 73 Cb 2.05 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 33.65 1v31 h MET 73 CO -0.02 0.12 0.70 0.28 1.06 0.00 0.00 176.91 179.05 1v31 h VAL 74 N 0.00 0.52 -0.16 -2.22 2.07 -1.74 0.38 116.25 115.11 1v31 h VAL 74 Ca -0.00 -0.06 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1v31 h VAL 74 Cb 0.31 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1v31 h VAL 74 CO 0.02 0.03 0.06 0.77 0.02 0.00 0.00 177.57 178.47 1v31 h SER 75 N 0.19 0.22 -0.54 0.57 4.64 -1.67 0.63 113.55 117.58 1v31 h SER 75 Ca 0.52 -0.16 -0.29 0.00 -0.47 0.00 0.00 61.79 61.40 1v31 h SER 75 Cb 1.71 -0.06 -0.17 0.00 -0.31 0.00 0.00 62.40 63.58 1v31 h SER 75 CO -0.13 0.32 0.36 0.00 -0.87 0.00 0.00 176.83 176.52 1v31 n GLN 76 N -4.87 1.69 0.00 4.77 10.64 0.12 -3.24 117.38 126.49 1v31 n GLN 76 Ca -0.05 -1.63 0.00 0.00 -1.83 0.00 0.00 57.00 53.49 1v31 n GLN 76 Cb 0.12 -1.64 0.00 0.00 -0.86 0.00 0.00 30.24 27.86 1v31 n GLN 76 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 1v31 n LYS 77 N -0.36 0.00 0.07 2.61 4.76 -0.54 -4.82 118.16 119.88 1v31 n LYS 77 Ca 0.33 0.00 -0.02 0.00 -2.87 0.00 0.00 58.31 55.74 1v31 n LYS 77 Cb 1.11 -0.22 0.23 0.00 -1.84 0.00 0.00 35.03 34.31 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 1.28 -0.71 -0.18 -0.00 0.13 -3.04 117.51 114.98 1v31 h ILE 78 Ca 0.00 -1.37 0.13 0.00 -0.00 0.00 0.00 64.86 63.62 1v31 h ILE 78 Cb 0.18 1.54 -0.13 0.00 -0.00 0.00 0.00 36.82 38.41 1v31 h ILE 78 CO 0.00 0.42 -0.26 0.77 -0.00 0.00 0.00 178.15 179.08 1v31 h SER 79 N 0.27 -0.92 -1.04 2.16 4.64 -1.73 1.41 113.55 118.34 1v31 h SER 79 Ca 0.03 0.23 0.27 0.00 -0.47 0.00 0.00 61.79 61.85 1v31 h SER 79 Cb 0.73 0.53 -0.09 0.00 -0.31 0.00 0.00 62.40 63.26 1v31 h SER 79 CO 0.06 -0.27 0.68 -0.74 -0.87 0.00 0.00 176.83 175.68 1v31 h HIS 80 N -0.06 0.57 0.12 4.77 -0.00 -1.85 0.61 115.15 119.30 1v31 h HIS 80 Ca 0.31 0.02 -0.28 0.00 -0.00 0.00 0.00 60.37 60.42 1v31 h HIS 80 Cb 0.55 -0.16 -0.00 0.00 -0.00 0.00 0.00 27.41 27.80 1v31 h HIS 80 CO -0.63 0.06 -1.33 0.45 -0.00 0.00 0.00 177.93 176.47 1v31 h HIS 81 N 0.35 0.45 -2.25 5.26 3.86 0.14 -3.45 115.15 119.50 1v31 h HIS 81 Ca 0.58 -0.33 -0.58 0.00 -1.16 0.00 0.00 60.37 58.88 1v31 h HIS 81 Cb 1.56 -0.02 0.05 0.00 1.06 0.00 0.00 27.41 30.06 1v31 h HIS 81 CO -0.00 1.29 0.86 1.28 0.86 0.00 0.00 177.93 182.22 1v31 n LEU 82 N -3.49 3.21 -4.00 2.43 4.77 0.24 -4.56 117.00 115.61 1v31 n LEU 82 Ca -0.11 1.06 -0.10 0.00 -0.03 0.00 0.00 56.01 56.84 1v31 n LEU 82 Cb 1.03 -1.43 -0.07 0.00 -2.33 0.00 0.00 43.42 40.62 1v31 n LEU 82 CO 0.52 -0.22 -0.04 -0.44 -1.33 0.00 0.00 177.39 175.88 1v31 s SER 83 N 1.50 0.06 0.30 -1.43 0.01 -1.15 -4.92 113.70 108.07 1v31 s SER 83 Ca 0.81 -0.94 -0.29 0.00 1.31 0.00 0.00 55.95 56.85 1v31 s SER 83 Cb -0.67 0.43 -0.09 0.00 0.21 0.00 0.00 66.02 65.90 1v31 s SER 83 CO 0.40 -0.90 1.07 -2.16 0.41 0.00 0.00 173.24 172.07 1v31 s PRO 84 N -3.99 4.58 0.99 12.44 0.04 -1.26 0.20 135.00 148.00 1v31 s PRO 84 Ca 0.20 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 62.81 1v31 s PRO 84 Cb 0.04 -3.08 0.19 0.00 0.04 0.00 0.00 34.50 31.68 1v31 s PRO 84 CO 0.02 0.18 1.17 -1.25 0.04 0.00 0.00 177.00 177.16 1v31 s PRO 85 N -1.61 0.49 -0.20 0.56 0.04 -1.26 -4.66 135.00 128.37 1v31 s PRO 85 Ca 0.46 0.05 -0.29 0.00 0.04 0.00 0.00 61.00 61.26 1v31 s PRO 85 Cb -0.30 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.45 1v31 s PRO 85 CO 0.38 -2.59 1.30 -1.25 0.04 0.00 0.00 177.00 174.88 1v31 s PRO 86 N -5.45 4.12 -0.01 0.56 0.04 -1.26 -4.92 135.00 128.08 1v31 s PRO 86 Ca 0.68 1.55 -0.22 0.00 0.04 0.00 0.00 61.00 63.05 1v31 s PRO 86 Cb -0.11 -3.81 -0.22 0.00 0.04 0.00 0.00 34.50 30.39 1v31 s PRO 86 CO 0.54 -0.85 1.10 -1.00 0.04 0.00 0.00 177.00 176.83 1v31 h PRO 87 N 8.65 0.31 -4.40 0.56 0.13 -2.06 -3.49 132.00 131.70 1v31 h PRO 87 Ca -0.27 -0.30 -0.06 0.00 -0.87 0.00 0.00 66.00 64.50 1v31 h PRO 87 Cb 1.10 0.08 0.05 0.00 0.13 0.00 0.00 31.00 32.36 1v31 h PRO 87 CO 0.99 0.98 -0.20 0.45 -0.23 0.00 0.00 178.00 179.99 1v31 n SER 88 N -4.38 -5.13 0.00 1.44 2.88 -1.26 -4.97 113.62 102.20 1v31 n SER 88 Ca -0.09 -0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.26 1v31 n SER 88 Cb 0.56 -3.42 0.00 0.00 -0.75 0.00 0.00 64.21 60.60 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 -1.41 0.41 3.42 0.46 0.00 -1.26 -5.17 105.19 101.64 1v31 n GLY 89 Ca -0.02 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.09 -1.68 1.61 -0.04 -1.26 -4.90 135.00 126.63 1v31 n PRO 90 Ca 0.00 -1.77 0.00 0.00 -0.04 0.00 0.00 63.50 61.69 1v31 n PRO 90 Cb 0.00 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.07 1v31 n PRO 90 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1v31 n SER 91 N -4.26 -8.86 -4.21 3.54 7.64 -1.26 -4.82 113.62 101.39 1v31 n SER 91 Ca 0.15 1.26 -0.41 0.00 1.01 0.00 0.00 58.87 60.88 1v31 n SER 91 Cb 0.54 -4.78 -0.05 0.00 -1.01 0.00 0.00 64.21 58.92 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 -2.68 6.29 0.00 6.43 0.01 -1.26 -5.22 113.70 117.26 1v31 s SER 92 Ca 0.00 -3.27 0.06 0.00 1.31 0.00 0.00 55.95 54.05 1v31 s SER 92 Cb 0.00 -2.03 0.04 0.00 0.21 0.00 0.00 66.02 64.24 1v31 s SER 92 CO 0.00 -0.34 0.68 0.61 0.41 0.00 0.00 173.24 174.60