#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 -3.55 -1.48 1.61 7.64 -1.26 -5.17 113.62 111.41 1v31 n SER 2 Ca 0.00 0.78 0.18 0.00 1.01 0.00 0.00 58.87 60.84 1v31 n SER 2 Cb 0.00 3.38 -0.09 0.00 -1.01 0.00 0.00 64.21 66.49 1v31 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1v31 n SER 3 N -3.30 -8.41 0.00 6.43 7.64 -1.26 -5.04 113.62 109.68 1v31 n SER 3 Ca 0.00 1.31 0.00 0.00 1.01 0.00 0.00 58.87 61.19 1v31 n SER 3 Cb 0.00 -4.97 0.00 0.00 -1.01 0.00 0.00 64.21 58.23 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 -4.39 1.77 0.25 0.23 0.00 -1.26 -5.07 105.19 96.72 1v31 n GLY 4 Ca -0.07 -0.02 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 1v31 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v31 n SER 5 N 0.00 1.79 -2.63 1.61 2.88 -1.26 -5.07 113.62 110.94 1v31 n SER 5 Ca 0.00 0.18 -0.04 0.00 -1.33 0.00 0.00 58.87 57.68 1v31 n SER 5 Cb 0.00 -0.59 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 1v31 n SER 5 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1v31 n SER 6 N -3.79 -6.68 -4.84 -3.46 2.88 -1.26 -5.00 113.62 91.47 1v31 n SER 6 Ca -0.43 0.25 -0.32 0.00 -1.33 0.00 0.00 58.87 57.03 1v31 n SER 6 Cb 0.84 -4.47 -0.04 0.00 -0.75 0.00 0.00 64.21 59.79 1v31 n SER 6 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1v31 s GLY 7 N -2.47 2.11 0.71 0.46 0.00 -1.26 -5.02 107.32 101.85 1v31 s GLY 7 Ca 0.12 0.20 -0.16 0.00 0.00 0.00 0.00 44.72 44.88 1v31 s GLY 7 CO 0.60 0.47 1.08 3.33 0.00 0.00 0.00 173.10 178.59 1v31 n VAL 8 N -1.43 3.28 -1.56 1.40 0.24 -1.26 -4.98 118.33 114.02 1v31 n VAL 8 Ca 0.06 -0.39 -0.30 0.00 -2.04 0.00 0.00 64.34 61.68 1v31 n VAL 8 Cb 0.54 -1.21 0.08 0.00 -1.47 0.00 0.00 33.84 31.78 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 -3.42 2.25 0.23 7.34 0.04 -1.26 -5.09 135.00 135.10 1v31 s PRO 9 Ca 0.76 0.69 0.01 0.00 0.04 0.00 0.00 61.00 62.50 1v31 s PRO 9 Cb -0.35 -1.93 0.01 0.00 0.04 0.00 0.00 34.50 32.27 1v31 s PRO 9 CO 0.48 -1.52 0.09 -0.85 0.04 0.00 0.00 177.00 175.24 1v31 n GLU 10 N -3.37 1.30 -4.11 4.56 0.00 -1.26 -5.16 120.64 112.60 1v31 n GLU 10 Ca 0.07 -1.56 -0.11 0.00 0.00 0.00 0.00 57.16 55.56 1v31 n GLU 10 Cb 0.56 0.30 -0.11 0.00 0.00 0.00 0.00 31.44 32.19 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 -2.89 0.66 0.03 3.44 1.02 -1.26 -4.55 119.74 116.19 1v31 s LYS 11 Ca 0.07 -1.07 0.04 0.00 0.02 0.00 0.00 55.97 55.03 1v31 s LYS 11 Cb -0.01 -0.17 -0.02 0.00 -0.52 0.00 0.00 37.83 37.12 1v31 s LYS 11 CO 0.04 -0.01 -0.13 -0.06 -0.92 0.00 0.00 175.35 174.28 1v31 s PHE 12 N -2.70 1.10 0.75 3.18 0.40 0.49 -4.30 117.98 116.89 1v31 s PHE 12 Ca 0.02 -0.32 -0.11 0.00 -0.60 0.00 0.00 56.93 55.91 1v31 s PHE 12 Cb -0.01 -0.66 0.04 0.00 0.51 0.00 0.00 43.02 42.90 1v31 s PHE 12 CO -0.03 0.01 1.09 0.15 0.70 0.00 0.00 175.22 177.14 1v31 s LYS 13 N -0.97 2.43 0.21 0.44 1.02 0.49 -1.45 119.74 121.91 1v31 s LYS 13 Ca 0.01 1.17 0.08 0.00 0.02 0.00 0.00 55.97 57.25 1v31 s LYS 13 Cb -0.07 -1.92 -0.04 0.00 -0.52 0.00 0.00 37.83 35.28 1v31 s LYS 13 CO 0.01 -1.51 0.02 -0.51 -0.92 0.00 0.00 175.35 172.43 1v31 s LEU 14 N -5.72 3.32 0.66 3.17 1.02 -1.10 -3.20 118.68 116.83 1v31 s LEU 14 Ca 0.61 -0.47 -0.07 0.00 0.02 0.00 0.00 54.13 54.23 1v31 s LEU 14 Cb -0.17 -1.92 0.03 0.00 0.02 0.00 0.00 46.19 44.15 1v31 s LEU 14 CO 0.54 0.05 0.99 -0.44 0.02 0.00 0.00 176.35 177.50 1v31 s SER 15 N -3.26 5.24 0.22 2.29 0.01 -1.26 -4.79 113.70 112.16 1v31 s SER 15 Ca 0.29 0.70 -0.07 0.00 1.31 0.00 0.00 55.95 58.17 1v31 s SER 15 Cb -0.08 -1.51 0.29 0.00 0.21 0.00 0.00 66.02 64.93 1v31 s SER 15 CO 0.19 -1.34 1.81 0.74 0.41 0.00 0.00 173.24 175.06 1v31 h THR 16 N -0.45 0.96 0.00 1.44 2.02 -1.98 1.45 112.91 116.35 1v31 h THR 16 Ca -0.45 -0.25 -0.09 0.00 0.77 0.00 0.00 66.41 66.39 1v31 h THR 16 Cb 1.28 0.15 0.01 0.00 -1.74 0.00 0.00 68.15 67.85 1v31 h THR 16 CO 0.61 0.14 -0.33 0.00 0.37 0.00 0.00 175.52 176.30 1v31 h ALA 17 N 1.38 0.04 0.00 6.16 0.00 -1.94 -2.62 119.26 122.28 1v31 h ALA 17 Ca 0.33 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1v31 h ALA 17 Cb 0.23 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1v31 h ALA 17 CO -0.20 0.15 -0.00 1.25 0.00 0.00 0.00 179.25 180.44 1v31 h LEU 18 N -0.43 0.00 -0.18 0.00 5.85 -1.79 0.14 115.31 118.91 1v31 h LEU 18 Ca -0.04 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.46 1v31 h LEU 18 Cb 1.09 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.13 1v31 h LEU 18 CO 0.07 0.00 -0.78 0.24 -0.34 0.00 0.00 178.44 177.63 1v31 h MET 19 N 0.00 0.76 0.00 1.25 2.86 0.20 -2.69 114.93 117.32 1v31 h MET 19 Ca -0.00 -0.63 0.00 0.00 -2.06 0.00 0.00 59.70 57.01 1v31 h MET 19 Cb 0.01 0.13 0.00 0.00 0.06 0.00 0.00 31.60 31.80 1v31 h MET 19 CO 0.00 1.23 -0.01 -3.47 1.06 0.00 0.00 176.91 175.72 1v31 n ASP 20 N -3.92 0.18 0.14 1.22 -0.08 -0.42 0.11 116.55 113.78 1v31 n ASP 20 Ca -0.07 0.50 -0.23 0.00 -1.51 0.00 0.00 54.79 53.48 1v31 n ASP 20 Cb 0.75 -0.55 -0.16 0.00 2.34 0.00 0.00 41.12 43.50 1v31 n ASP 20 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 1v31 h VAL 21 N 0.00 1.32 0.00 5.18 2.07 -0.59 -3.43 116.25 120.80 1v31 h VAL 21 Ca 0.00 -2.77 0.00 0.00 0.82 0.00 0.00 66.70 64.75 1v31 h VAL 21 Cb 0.55 3.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.34 1v31 h VAL 21 CO 0.00 0.83 -0.17 0.18 0.02 0.00 0.00 177.57 178.42 1v31 n LEU 22 N -3.68 1.05 0.00 2.57 4.77 -1.03 -5.01 117.00 115.67 1v31 n LEU 22 Ca -0.15 0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 1v31 n LEU 22 Cb 1.09 -0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 1v31 n LEU 22 CO 0.59 -0.63 0.00 0.61 -1.33 0.00 0.00 177.39 176.64 1v31 n GLY 23 N 3.06 1.35 3.34 -0.72 0.00 0.31 -5.07 105.19 107.47 1v31 n GLY 23 Ca -0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.77 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 -1.95 1.87 -0.03 -0.61 -4.36 -1.24 -5.04 121.20 109.84 1v31 s ILE 24 Ca 0.00 -1.94 0.07 0.00 -0.26 0.00 0.00 60.65 58.51 1v31 s ILE 24 Cb 0.00 -1.88 -0.10 0.00 1.25 0.00 0.00 42.46 41.73 1v31 s ILE 24 CO 0.00 -0.31 0.10 1.21 0.24 0.00 0.00 174.94 176.19 1v31 n GLU 25 N 0.26 1.24 -3.37 0.37 2.13 -1.26 -4.54 120.64 115.47 1v31 n GLU 25 Ca -0.13 -0.04 -0.12 0.00 0.66 0.00 0.00 57.16 57.53 1v31 n GLU 25 Cb 0.57 -1.17 -0.08 0.00 0.27 0.00 0.00 31.44 31.03 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 -2.36 -0.52 0.36 6.31 1.01 -1.26 -2.71 120.40 121.22 1v31 s VAL 26 Ca -0.03 -0.26 0.04 0.00 0.00 0.00 0.00 61.98 61.73 1v31 s VAL 26 Cb 0.04 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 1v31 s VAL 26 CO 0.28 -0.28 0.13 -0.70 0.00 0.00 0.00 175.10 174.54 1v31 s GLU 27 N 2.47 1.78 0.25 2.72 2.56 -0.53 -4.87 118.70 123.08 1v31 s GLU 27 Ca 0.10 -2.05 0.00 0.00 0.00 0.00 0.00 54.97 53.02 1v31 s GLU 27 Cb -0.14 -0.46 0.05 0.00 2.00 0.00 0.00 34.13 35.58 1v31 s GLU 27 CO -0.25 -0.43 0.34 0.25 -0.56 0.00 0.00 175.26 174.61 1v31 n THR 28 N -0.77 0.00 0.02 -1.70 -2.24 -1.26 0.19 114.28 108.52 1v31 n THR 28 Ca -0.03 -0.55 -0.20 0.00 -2.27 0.00 0.00 64.05 61.01 1v31 n THR 28 Cb 0.65 -1.19 -0.14 0.00 -2.10 0.00 0.00 70.33 67.55 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 0.00 -0.78 2.43 -1.96 -2.72 114.38 111.59 1v31 h ARG 29 Ca -0.11 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 1v31 h ARG 29 Cb 0.42 0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1v31 h ARG 29 CO 0.12 1.19 0.00 -0.35 -1.51 0.00 0.00 179.97 179.43 1v31 n PRO 30 N -4.16 0.09 -0.10 0.20 -0.04 -1.26 -2.19 135.00 127.54 1v31 n PRO 30 Ca -0.16 0.11 -0.21 0.00 -0.04 0.00 0.00 63.50 63.19 1v31 n PRO 30 Cb 0.79 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.64 1v31 n PRO 30 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1v31 h ARG 31 N 0.00 0.00 0.81 0.54 3.08 -1.95 -3.29 114.38 113.56 1v31 h ARG 31 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1v31 h ARG 31 Cb 0.33 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.39 1v31 h ARG 31 CO 0.00 0.96 -0.39 0.82 -1.07 0.00 0.00 179.97 180.29 1v31 h ILE 32 N -1.00 0.00 -0.99 2.04 2.04 -1.47 0.81 117.51 118.93 1v31 h ILE 32 Ca -0.33 -0.09 0.21 0.00 1.00 0.00 0.00 64.86 65.65 1v31 h ILE 32 Cb 1.27 0.00 -0.19 0.00 -0.74 0.00 0.00 36.82 37.16 1v31 h ILE 32 CO -0.20 0.00 -0.20 -0.38 0.00 0.00 0.00 178.15 177.37 1v31 n ILE 33 N -5.15 -0.42 0.04 -0.67 5.41 -0.93 0.62 119.36 118.27 1v31 n ILE 33 Ca -0.13 2.26 -0.13 0.00 1.00 0.00 0.00 62.75 65.75 1v31 n ILE 33 Cb 0.43 -3.16 -0.09 0.00 -0.71 0.00 0.00 39.64 36.11 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 1.99 -0.10 -1.23 -1.39 0.00 -1.58 -1.11 119.26 115.83 1v31 h ALA 34 Ca 0.50 -0.17 0.39 0.00 0.00 0.00 0.00 54.91 55.63 1v31 h ALA 34 Cb 0.82 0.04 -0.12 0.00 0.00 0.00 0.00 17.79 18.53 1v31 h ALA 34 CO -1.01 -0.39 0.79 0.00 0.00 0.00 0.00 179.25 178.64 1v31 h ALA 35 N 0.45 2.58 0.07 0.00 0.00 0.63 1.59 119.26 124.57 1v31 h ALA 35 Ca -0.01 0.10 -0.27 0.00 0.00 0.00 0.00 54.91 54.73 1v31 h ALA 35 Cb 0.37 0.16 0.03 0.00 0.00 0.00 0.00 17.79 18.35 1v31 h ALA 35 CO 0.02 -1.15 -1.10 0.82 0.00 0.00 0.00 179.25 177.83 1v31 h ILE 36 N 0.17 1.30 -0.58 0.00 2.04 -0.14 -1.34 117.51 118.96 1v31 h ILE 36 Ca 0.76 -2.35 0.09 0.00 1.00 0.00 0.00 64.86 64.36 1v31 h ILE 36 Cb 2.27 2.60 -0.07 0.00 -0.74 0.00 0.00 36.82 40.87 1v31 h ILE 36 CO -0.40 0.72 0.19 -0.50 0.00 0.00 0.00 178.15 178.16 1v31 h TRP 37 N 0.26 0.32 0.65 1.37 4.06 0.34 0.77 115.95 123.71 1v31 h TRP 37 Ca -0.16 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.79 1v31 h TRP 37 Cb 1.78 -0.05 0.01 0.00 -1.00 0.00 0.00 29.16 29.89 1v31 h TRP 37 CO 0.12 0.06 -0.31 1.25 -3.56 0.00 0.00 178.44 176.00 1v31 h HIS 38 N 0.35 -0.80 -0.91 0.49 -0.00 -0.64 -2.34 115.15 111.30 1v31 h HIS 38 Ca 0.29 -0.02 0.11 0.00 -0.00 0.00 0.00 60.37 60.76 1v31 h HIS 38 Cb 0.38 0.27 -0.13 0.00 -0.00 0.00 0.00 27.41 27.92 1v31 h HIS 38 CO -0.19 -0.49 -0.44 0.98 -0.00 0.00 0.00 177.93 177.79 1v31 n TYR 39 N -5.35 -0.17 -0.09 5.26 9.36 -0.51 0.16 117.16 125.82 1v31 n TYR 39 Ca -0.11 1.13 -0.06 0.00 3.32 0.00 0.00 57.90 62.18 1v31 n TYR 39 Cb 0.35 -0.72 0.00 0.00 -0.63 0.00 0.00 39.34 38.34 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 0.68 -0.12 2.97 2.07 -0.90 1.13 116.25 122.08 1v31 h VAL 40 Ca 0.24 -0.01 0.02 0.00 0.82 0.00 0.00 66.70 67.77 1v31 h VAL 40 Cb 0.47 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1v31 h VAL 40 CO -0.88 0.00 -0.01 0.50 0.02 0.00 0.00 177.57 177.20 1v31 h LYS 41 N 0.02 0.03 0.75 1.57 3.64 0.11 1.70 116.57 124.39 1v31 h LYS 41 Ca 0.16 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 1v31 h LYS 41 Cb 0.24 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.05 1v31 h LYS 41 CO -0.33 0.02 -0.47 0.00 -2.27 0.00 0.00 179.45 176.40 1v31 h ALA 42 N 1.11 -1.19 0.00 5.00 0.00 0.26 -0.62 119.26 123.82 1v31 h ALA 42 Ca 0.06 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1v31 h ALA 42 Cb 0.07 0.58 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1v31 h ALA 42 CO -0.11 -1.19 0.00 0.54 0.00 0.00 0.00 179.25 178.50 1v31 n ARG 43 N -5.60 0.06 -3.20 0.00 3.00 0.38 -4.82 116.66 106.48 1v31 n ARG 43 Ca -0.14 0.48 -0.15 0.00 -0.01 0.00 0.00 57.85 58.02 1v31 n ARG 43 Cb 0.48 -1.68 0.06 0.00 0.00 0.00 0.00 32.46 31.32 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 -1.81 -5.34 0.14 5.56 4.76 0.41 -4.91 118.16 116.98 1v31 n LYS 44 Ca 0.01 0.58 0.11 0.00 -2.87 0.00 0.00 58.31 56.13 1v31 n LYS 44 Cb 0.08 -4.86 0.05 0.00 -1.84 0.00 0.00 35.03 28.46 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 -1.75 0.00 -9.04 -0.35 3.38 0.17 -3.47 115.31 104.24 1v31 h LEU 45 Ca -0.40 0.00 -0.69 0.00 0.09 0.00 0.00 57.88 56.87 1v31 h LEU 45 Cb 1.25 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.10 1v31 h LEU 45 CO 0.38 0.06 -0.31 1.67 0.09 0.00 0.00 178.44 180.32 1v31 n GLN 46 N -2.86 0.13 -3.14 1.13 7.27 -1.23 0.37 117.38 119.05 1v31 n GLN 46 Ca 0.01 0.05 -0.39 0.00 0.07 0.00 0.00 57.00 56.73 1v31 n GLN 46 Cb 0.57 -1.21 -0.05 0.00 2.41 0.00 0.00 30.24 31.96 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 -0.69 6.96 0.12 1.69 -0.87 -0.96 -4.60 114.94 116.59 1v31 s ASN 47 Ca 0.71 1.14 -0.07 0.00 -1.57 0.00 0.00 52.86 53.07 1v31 s ASN 47 Cb -0.99 -2.38 -0.10 0.00 -0.02 0.00 0.00 41.25 37.75 1v31 s ASN 47 CO 0.56 0.00 1.31 1.55 -2.57 0.00 0.00 177.10 177.95 1v31 h PRO 48 N 6.20 0.54 0.43 -0.60 0.13 -1.90 -3.29 132.00 133.50 1v31 h PRO 48 Ca -0.43 -0.52 -0.02 0.00 -0.87 0.00 0.00 66.00 64.16 1v31 h PRO 48 Cb 1.20 0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 1v31 h PRO 48 CO 0.73 1.15 -0.23 -2.95 -0.23 0.00 0.00 178.00 176.47 1v31 h ASN 49 N 0.33 -0.56 -3.25 1.44 -1.07 -1.95 -3.41 115.58 107.09 1v31 h ASN 49 Ca -0.08 0.03 -0.60 0.00 0.07 0.00 0.00 56.30 55.72 1v31 h ASN 49 Cb 1.52 0.16 -0.34 0.00 -2.07 0.00 0.00 38.32 37.59 1v31 h ASN 49 CO 0.16 -0.38 -0.84 -1.81 0.07 0.00 0.00 177.43 174.63 1v31 s ASP 50 N -4.66 2.54 0.20 6.14 1.11 -1.24 -4.99 116.67 115.77 1v31 s ASP 50 Ca -0.16 -0.45 0.24 0.00 0.18 0.00 0.00 52.55 52.36 1v31 s ASP 50 Cb 0.05 -1.14 0.91 0.00 1.07 0.00 0.00 42.92 43.80 1v31 s ASP 50 CO 0.63 0.02 1.74 -0.81 1.18 0.00 0.00 175.17 177.94 1v31 n PRO 51 N 4.19 0.19 0.09 8.23 -0.04 -1.25 -2.52 135.00 143.90 1v31 n PRO 51 Ca -0.19 0.29 0.01 0.00 -0.04 0.00 0.00 63.50 63.57 1v31 n PRO 51 Cb 0.51 -1.78 -0.03 0.00 -0.04 0.00 0.00 33.50 32.16 1v31 n PRO 51 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1v31 h SER 52 N 0.00 0.00 -1.03 3.54 0.02 -1.94 -3.47 113.55 110.68 1v31 h SER 52 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 1v31 h SER 52 Cb 0.52 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 1v31 h SER 52 CO 0.00 0.55 -0.29 -0.36 -1.14 0.00 0.00 176.83 175.58 1v31 s PHE 53 N -2.94 2.07 -0.06 3.45 0.08 -1.05 0.99 117.98 120.52 1v31 s PHE 53 Ca 0.01 -0.66 -0.30 0.00 0.12 0.00 0.00 56.93 56.10 1v31 s PHE 53 Cb 0.08 -2.09 0.09 0.00 -0.57 0.00 0.00 43.02 40.53 1v31 s PHE 53 CO 0.78 -0.45 0.79 -0.59 -0.10 0.00 0.00 175.22 175.65 1v31 s PHE 54 N -2.62 -0.53 0.58 0.36 -0.12 -0.66 -2.27 117.98 112.72 1v31 s PHE 54 Ca 0.46 0.81 -0.19 0.00 -0.05 0.00 0.00 56.93 57.96 1v31 s PHE 54 Cb -0.03 0.45 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 1v31 s PHE 54 CO 0.28 -0.54 1.17 -0.80 -0.05 0.00 0.00 175.22 175.27 1v31 s ASN 55 N -1.42 5.38 0.59 1.98 0.01 0.16 -2.23 114.94 119.41 1v31 s ASN 55 Ca -0.05 2.28 -0.00 0.00 -0.71 0.00 0.00 52.86 54.37 1v31 s ASN 55 Cb -0.00 -2.59 0.04 0.00 0.41 0.00 0.00 41.25 39.11 1v31 s ASN 55 CO 0.03 -1.45 0.84 0.00 -1.51 0.00 0.00 177.10 175.01 1v31 n ASP 57 N -2.49 1.31 0.00 0.00 5.75 -1.26 -4.97 116.55 114.89 1v31 n ASP 57 Ca 0.08 -2.38 0.14 0.00 -0.01 0.00 0.00 54.79 52.62 1v31 n ASP 57 Cb 0.60 0.61 0.84 0.00 -1.03 0.00 0.00 41.12 42.14 1v31 n ASP 57 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1v31 n ALA 58 N -1.79 2.55 -0.06 2.12 0.00 -1.26 -1.60 120.51 120.48 1v31 n ALA 58 Ca -0.10 -0.18 -0.11 0.00 0.00 0.00 0.00 53.44 53.05 1v31 n ALA 58 Cb 0.39 -1.47 -0.04 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.02 2.17 0.06 0.00 0.00 -1.26 -4.36 120.51 116.10 1v31 n ALA 59 Ca 0.21 -0.44 0.02 0.00 0.00 0.00 0.00 53.44 53.22 1v31 n ALA 59 Cb 0.11 0.34 0.37 0.00 0.00 0.00 0.00 19.45 20.26 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 -0.31 0.36 0.80 0.00 3.38 -1.93 -2.92 115.31 114.69 1v31 h LEU 60 Ca -0.27 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 1v31 h LEU 60 Cb 1.27 -0.09 0.01 0.00 0.09 0.00 0.00 40.66 41.94 1v31 h LEU 60 CO -0.14 0.44 -0.39 1.56 0.09 0.00 0.00 178.44 180.00 1v31 h GLN 61 N 0.38 -1.04 -0.92 1.13 4.20 -1.55 0.78 115.11 118.08 1v31 h GLN 61 Ca 0.08 0.07 0.27 0.00 0.06 0.00 0.00 58.65 59.13 1v31 h GLN 61 Cb 0.28 0.24 -0.04 0.00 0.30 0.00 0.00 27.48 28.26 1v31 h GLN 61 CO 0.01 -0.69 0.91 0.87 -0.67 0.00 0.00 178.83 179.26 1v31 h LYS 62 N -1.09 0.00 0.00 1.46 1.57 -1.71 0.72 116.57 117.51 1v31 h LYS 62 Ca -0.11 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1v31 h LYS 62 Cb 0.83 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1v31 h LYS 62 CO 0.18 0.00 0.00 0.28 -0.57 0.00 0.00 179.45 179.34 1v31 n VAL 63 N -3.61 0.00 0.04 0.50 0.31 -0.60 -4.79 118.33 110.19 1v31 n VAL 63 Ca 0.20 0.43 -0.02 0.00 -0.01 0.00 0.00 64.34 64.94 1v31 n VAL 63 Cb 1.21 -1.35 -0.01 0.00 -0.91 0.00 0.00 33.84 32.78 1v31 n VAL 63 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 1v31 h PHE 64 N 0.00 -0.12 0.00 3.52 0.04 0.12 -3.49 116.94 117.02 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 -0.07 0.00 0.41 -0.60 0.00 0.00 178.31 178.05 1v31 n GLY 65 N 0.97 0.73 3.68 -1.45 0.00 0.25 -4.99 105.19 104.38 1v31 n GLY 65 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.81 3.72 0.35 1.61 2.02 -1.26 -4.98 118.70 119.35 1v31 s GLU 66 Ca 0.00 -0.32 0.16 0.00 0.02 0.00 0.00 54.97 54.82 1v31 s GLU 66 Cb 0.00 -3.13 1.18 0.00 0.10 0.00 0.00 34.13 32.28 1v31 s GLU 66 CO 0.00 0.43 1.57 -0.85 0.02 0.00 0.00 175.26 176.43 1v31 n GLU 67 N 3.04 -0.07 -4.25 1.61 0.28 -1.26 -4.55 120.64 115.45 1v31 n GLU 67 Ca -0.17 1.40 -0.17 0.00 -0.16 0.00 0.00 57.16 58.06 1v31 n GLU 67 Cb 0.53 -2.44 -0.09 0.00 1.43 0.00 0.00 31.44 30.88 1v31 n GLU 67 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 177.13 175.38 1v31 s LYS 68 N -5.65 1.57 -0.03 3.44 -2.85 -1.26 0.11 119.74 115.07 1v31 s LYS 68 Ca -0.10 -1.87 -0.29 0.00 -1.00 0.00 0.00 55.97 52.70 1v31 s LYS 68 Cb 0.32 0.31 0.09 0.00 -2.06 0.00 0.00 37.83 36.49 1v31 s LYS 68 CO 0.77 -0.56 0.75 -1.17 0.10 0.00 0.00 175.35 175.25 1v31 s LEU 69 N -3.29 -0.55 0.97 2.77 0.20 -0.95 -4.91 118.68 112.92 1v31 s LEU 69 Ca 0.40 0.45 -0.14 0.00 0.69 0.00 0.00 54.13 55.53 1v31 s LEU 69 Cb 0.04 2.35 0.17 0.00 -0.43 0.00 0.00 46.19 48.32 1v31 s LEU 69 CO 0.22 -0.62 1.15 -0.54 -0.29 0.00 0.00 176.35 176.27 1v31 s LYS 70 N -1.82 0.67 0.00 1.98 1.02 -1.26 -1.66 119.74 118.68 1v31 s LYS 70 Ca -0.05 0.18 0.23 0.00 0.02 0.00 0.00 55.97 56.35 1v31 s LYS 70 Cb -0.00 -1.79 0.05 0.00 -0.52 0.00 0.00 37.83 35.56 1v31 s LYS 70 CO 0.02 -2.49 1.11 1.19 -0.92 0.00 0.00 175.35 174.26 1v31 n PHE 71 N -3.95 0.00 -0.02 3.18 3.72 0.28 -3.92 117.46 116.75 1v31 n PHE 71 Ca 0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1v31 n PHE 71 Cb 0.59 -0.02 -0.05 0.00 -0.94 0.00 0.00 39.48 39.06 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 -0.45 0.22 1.42 4.37 -2.24 -1.26 -4.49 114.28 111.84 1v31 n THR 72 Ca 0.08 -0.21 0.14 0.00 -2.27 0.00 0.00 64.05 61.80 1v31 n THR 72 Cb 0.42 -0.26 0.63 0.00 -2.10 0.00 0.00 70.33 69.02 1v31 n THR 72 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 1v31 n MET 73 N -1.99 0.67 0.13 -0.78 0.00 -1.26 -4.00 117.12 109.88 1v31 n MET 73 Ca -0.06 -0.20 -0.14 0.00 0.00 0.00 0.00 57.70 57.30 1v31 n MET 73 Cb 0.45 -1.50 -0.07 0.00 0.00 0.00 0.00 33.22 32.10 1v31 n MET 73 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 1v31 h VAL 74 N 0.50 0.21 -0.57 3.17 2.07 -1.79 -2.61 116.25 117.24 1v31 h VAL 74 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1v31 h VAL 74 Cb 0.34 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 30.26 1v31 h VAL 74 CO 0.00 0.00 -0.34 -1.28 0.02 0.00 0.00 177.57 175.97 1v31 h SER 75 N -0.64 -1.26 -1.67 0.57 0.87 -1.90 1.89 113.55 111.42 1v31 h SER 75 Ca 0.02 0.19 0.49 0.00 -1.23 0.00 0.00 61.79 61.26 1v31 h SER 75 Cb 0.65 0.56 -0.08 0.00 -0.44 0.00 0.00 62.40 63.09 1v31 h SER 75 CO -0.21 -0.14 1.18 -0.61 -0.53 0.00 0.00 176.83 176.52 1v31 h GLN 76 N -0.01 0.02 0.00 2.24 4.15 -1.74 1.65 115.11 121.42 1v31 h GLN 76 Ca 0.09 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1v31 h GLN 76 Cb 0.25 -0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.93 1v31 h GLN 76 CO -0.54 0.01 0.00 1.63 -1.93 0.00 0.00 178.83 178.00 1v31 n LYS 77 N -4.15 0.00 -0.31 1.69 4.76 0.58 -4.20 118.16 116.53 1v31 n LYS 77 Ca 0.39 0.01 0.29 0.00 -2.87 0.00 0.00 58.31 56.13 1v31 n LYS 77 Cb 1.73 -0.35 0.52 0.00 -1.84 0.00 0.00 35.03 35.09 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 -0.87 -0.32 -0.38 -0.18 -6.64 0.23 0.64 119.36 111.84 1v31 n ILE 78 Ca 0.00 1.68 -0.05 0.00 -1.77 0.00 0.00 62.75 62.61 1v31 n ILE 78 Cb 0.00 -2.74 -0.02 0.00 -1.44 0.00 0.00 39.64 35.44 1v31 n ILE 78 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 1v31 n SER 79 N -4.79 -0.79 -0.26 7.28 3.41 0.56 0.14 113.62 119.17 1v31 n SER 79 Ca 0.33 1.66 0.04 0.00 -0.26 0.00 0.00 58.87 60.64 1v31 n SER 79 Cb 1.17 -0.30 0.13 0.00 -0.26 0.00 0.00 64.21 64.94 1v31 n SER 79 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 1v31 h HIS 80 N 0.00 -0.22 -0.73 7.33 2.76 0.03 0.64 115.15 124.96 1v31 h HIS 80 Ca 0.25 0.06 -0.03 0.00 -2.20 0.00 0.00 60.37 58.44 1v31 h HIS 80 Cb 0.48 0.21 -0.03 0.00 1.55 0.00 0.00 27.41 29.63 1v31 h HIS 80 CO -0.89 -0.29 0.32 0.45 -1.30 0.00 0.00 177.93 176.22 1v31 h HIS 81 N 0.05 1.08 -2.05 5.26 3.86 0.11 -3.43 115.15 120.03 1v31 h HIS 81 Ca 0.39 -0.07 -0.63 0.00 -1.16 0.00 0.00 60.37 58.90 1v31 h HIS 81 Cb 0.66 -0.33 0.07 0.00 1.06 0.00 0.00 27.41 28.87 1v31 h HIS 81 CO -0.51 0.82 0.52 1.28 0.86 0.00 0.00 177.93 180.90 1v31 n LEU 82 N -4.38 2.22 -4.00 2.43 4.77 0.22 -4.66 117.00 113.61 1v31 n LEU 82 Ca 0.06 1.12 -0.08 0.00 -0.03 0.00 0.00 56.01 57.08 1v31 n LEU 82 Cb 0.16 -1.29 -0.10 0.00 -2.33 0.00 0.00 43.42 39.86 1v31 n LEU 82 CO 0.39 -0.82 -0.28 -0.94 -1.33 0.00 0.00 177.39 174.41 1v31 s SER 83 N 0.45 0.32 -0.06 -1.43 1.04 -1.19 -4.90 113.70 107.93 1v31 s SER 83 Ca 0.78 -0.76 -0.30 0.00 0.48 0.00 0.00 55.95 56.14 1v31 s SER 83 Cb -0.81 0.22 -0.03 0.00 0.10 0.00 0.00 66.02 65.49 1v31 s SER 83 CO 0.46 -0.56 1.22 -2.16 0.98 0.00 0.00 173.24 173.18 1v31 s PRO 84 N -3.27 4.34 0.96 4.02 0.04 -1.26 0.18 135.00 140.02 1v31 s PRO 84 Ca 0.01 1.70 -0.14 0.00 0.04 0.00 0.00 61.00 62.61 1v31 s PRO 84 Cb 0.03 -3.57 0.17 0.00 0.04 0.00 0.00 34.50 31.17 1v31 s PRO 84 CO -0.08 -0.47 1.16 -1.25 0.04 0.00 0.00 177.00 176.41 1v31 s PRO 85 N 2.29 0.69 0.04 0.56 0.04 -1.26 -4.78 135.00 132.58 1v31 s PRO 85 Ca 0.56 0.12 -0.30 0.00 0.04 0.00 0.00 61.00 61.42 1v31 s PRO 85 Cb -0.25 -1.80 -0.05 0.00 0.04 0.00 0.00 34.50 32.44 1v31 s PRO 85 CO 0.22 -2.47 1.18 -1.25 0.04 0.00 0.00 177.00 174.72 1v31 s PRO 86 N -5.40 4.44 -0.86 0.56 0.04 -1.26 -4.95 135.00 127.57 1v31 s PRO 86 Ca 0.67 1.72 -0.25 0.00 0.04 0.00 0.00 61.00 63.18 1v31 s PRO 86 Cb -0.12 -3.39 0.00 0.00 0.04 0.00 0.00 34.50 31.03 1v31 s PRO 86 CO 0.54 -0.26 1.64 -1.25 0.04 0.00 0.00 177.00 177.71 1v31 s PRO 87 N 1.20 3.03 0.00 0.56 0.04 -1.26 -4.81 135.00 133.76 1v31 s PRO 87 Ca 0.58 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 61.22 1v31 s PRO 87 Cb -0.28 -4.88 0.00 0.00 0.04 0.00 0.00 34.50 29.38 1v31 s PRO 87 CO 0.28 -2.65 0.00 0.43 0.04 0.00 0.00 177.00 175.10 1v31 n SER 88 N 11.23 0.00 -2.15 6.66 7.64 -1.26 -5.11 113.62 130.62 1v31 n SER 88 Ca 0.27 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.14 1v31 n SER 88 Cb 0.50 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.68 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 0.00 -5.11 3.73 0.23 0.00 -1.26 -4.54 105.19 98.24 1v31 n GLY 89 Ca 0.00 0.38 -0.41 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.86 4.51 -0.38 1.61 0.04 -1.26 -4.14 135.00 134.52 1v31 s PRO 90 Ca -0.07 1.74 -0.08 0.00 0.04 0.00 0.00 61.00 62.63 1v31 s PRO 90 Cb 0.00 -3.31 0.01 0.00 0.04 0.00 0.00 34.50 31.24 1v31 s PRO 90 CO 0.19 -0.09 0.46 0.45 0.04 0.00 0.00 177.00 178.05 1v31 n SER 91 N 3.12 -6.25 -0.91 6.66 2.88 -1.26 -4.85 113.62 113.02 1v31 n SER 91 Ca 0.06 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.83 1v31 n SER 91 Cb 0.46 -4.14 0.00 0.00 -0.75 0.00 0.00 64.21 59.78 1v31 n SER 91 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1v31 n SER 92 N -0.77 -5.56 -0.55 -3.46 2.88 -1.26 -5.25 113.62 99.65 1v31 n SER 92 Ca 0.06 0.67 0.14 0.00 -1.33 0.00 0.00 58.87 58.40 1v31 n SER 92 Cb 0.39 -2.01 0.46 0.00 -0.75 0.00 0.00 64.21 62.30 1v31 n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42