#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v32 s SER 2 N 0.00 -0.52 -0.43 1.61 1.04 -1.26 -5.11 113.70 109.03 1v32 s SER 2 Ca 0.00 0.26 0.05 0.00 0.48 0.00 0.00 55.95 56.74 1v32 s SER 2 Cb 0.00 0.49 0.18 0.00 0.10 0.00 0.00 66.02 66.79 1v32 s SER 2 CO 0.00 -0.70 0.44 -0.24 0.98 0.00 0.00 173.24 173.72 1v32 n SER 3 N 0.18 -1.02 0.00 7.02 2.88 -1.26 -5.10 113.62 116.31 1v32 n SER 3 Ca -0.15 -2.52 0.00 0.00 -1.33 0.00 0.00 58.87 54.87 1v32 n SER 3 Cb 0.61 -0.09 0.00 0.00 -0.75 0.00 0.00 64.21 63.98 1v32 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v32 n GLY 4 N 2.70 2.49 2.33 0.46 0.00 -1.26 -5.12 105.19 106.78 1v32 n GLY 4 Ca 0.27 -0.64 -0.02 0.00 0.00 0.00 0.00 46.02 45.62 1v32 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v32 n SER 5 N 0.00 -5.40 -2.06 1.61 2.88 -1.26 -4.88 113.62 104.50 1v32 n SER 5 Ca 0.00 1.50 -0.01 0.00 -1.33 0.00 0.00 58.87 59.03 1v32 n SER 5 Cb 0.00 -4.83 -0.01 0.00 -0.75 0.00 0.00 64.21 58.62 1v32 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1v32 n SER 6 N 1.61 -6.19 0.00 -3.46 7.64 -1.26 -5.08 113.62 106.88 1v32 n SER 6 Ca -0.16 1.31 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1v32 n SER 6 Cb 0.25 -4.14 0.00 0.00 -1.01 0.00 0.00 64.21 59.31 1v32 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v32 n GLY 7 N 1.34 -0.00 3.57 0.23 0.00 -1.26 -5.15 105.19 103.91 1v32 n GLY 7 Ca -0.07 0.56 -0.32 0.00 0.00 0.00 0.00 46.02 46.19 1v32 n GLY 7 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1v32 n LYS 8 N 0.00 -0.33 -3.90 1.61 0.00 -1.26 -5.00 118.16 109.28 1v32 n LYS 8 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 58.31 57.97 1v32 n LYS 8 Cb 0.00 -2.17 -0.04 0.00 0.00 0.00 0.00 35.03 32.82 1v32 n LYS 8 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1v32 s ARG 9 N -4.17 3.46 0.29 1.64 3.00 -1.26 -5.11 118.95 116.80 1v32 s ARG 9 Ca 0.64 -0.43 0.02 0.00 0.00 0.00 0.00 55.73 55.95 1v32 s ARG 9 Cb -0.23 -3.01 -0.05 0.00 0.00 0.00 0.00 34.95 31.67 1v32 s ARG 9 CO 0.61 0.58 0.12 0.12 0.00 0.00 0.00 175.30 176.73 1v32 s PHE 10 N -1.57 1.62 0.19 -0.53 5.36 -1.26 -5.11 117.98 116.68 1v32 s PHE 10 Ca 0.36 -1.24 -0.31 0.00 -0.96 0.00 0.00 56.93 54.77 1v32 s PHE 10 Cb -0.13 -0.94 -0.16 0.00 -0.34 0.00 0.00 43.02 41.46 1v32 s PHE 10 CO 0.28 -0.37 1.00 0.39 -1.46 0.00 0.00 175.22 175.06 1v32 n GLU 11 N -0.56 0.90 -0.72 10.12 1.02 -1.26 -4.59 120.64 125.55 1v32 n GLU 11 Ca -0.00 0.32 0.10 0.00 -0.02 0.00 0.00 57.16 57.55 1v32 n GLU 11 Cb 0.66 -1.70 -0.02 0.00 -0.02 0.00 0.00 31.44 30.36 1v32 n GLU 11 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1v32 n PHE 12 N 0.93 -2.76 -3.75 -0.32 3.01 -1.26 -4.77 117.46 108.54 1v32 n PHE 12 Ca 0.15 0.90 -0.28 0.00 1.01 0.00 0.00 57.45 59.22 1v32 n PHE 12 Cb 0.25 -1.55 -0.16 0.00 -0.01 0.00 0.00 39.48 38.01 1v32 n PHE 12 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1v32 s VAL 13 N -1.18 0.68 0.00 -4.37 0.11 -0.83 -4.92 120.40 109.89 1v32 s VAL 13 Ca 0.00 -0.84 0.00 0.00 -2.93 0.00 0.00 61.98 58.21 1v32 s VAL 13 Cb 0.00 -1.26 0.00 0.00 -1.53 0.00 0.00 36.38 33.59 1v32 s VAL 13 CO 0.00 -0.34 0.00 0.61 -3.33 0.00 0.00 175.10 172.04 1v32 n GLY 14 N 4.97 2.02 0.55 6.54 0.00 -1.26 -3.50 105.19 114.50 1v32 n GLY 14 Ca -0.07 -0.14 -0.03 0.00 0.00 0.00 0.00 46.02 45.77 1v32 n GLY 14 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1v32 n TRP 15 N 0.00 0.00 -2.88 1.61 4.27 -1.26 -5.06 117.44 114.12 1v32 n TRP 15 Ca 0.00 0.00 -0.21 0.00 -3.89 0.00 0.00 57.50 53.40 1v32 n TRP 15 Cb 0.00 -0.13 0.08 0.00 -1.36 0.00 0.00 31.31 29.90 1v32 n TRP 15 CO 0.00 0.00 0.00 0.20 -2.29 0.00 0.00 177.69 175.60 1v32 s GLY 16 N -4.77 1.73 0.55 -1.67 0.00 -1.23 -1.99 107.32 99.95 1v32 s GLY 16 Ca -0.05 -2.03 -0.09 0.00 0.00 0.00 0.00 44.72 42.55 1v32 s GLY 16 CO 0.07 -1.52 0.93 -0.45 0.00 0.00 0.00 173.10 172.13 1v32 s SER 17 N -4.71 6.29 0.14 1.64 0.15 -1.22 -1.97 113.70 114.02 1v32 s SER 17 Ca 0.64 1.25 -0.20 0.00 0.70 0.00 0.00 55.95 58.34 1v32 s SER 17 Cb -0.05 -2.39 0.02 0.00 -1.71 0.00 0.00 66.02 61.89 1v32 s SER 17 CO 0.41 -0.73 1.67 -0.09 1.20 0.00 0.00 173.24 175.70 1v32 h ARG 18 N 0.04 -0.11 -0.90 5.44 2.43 -1.91 0.67 114.38 120.03 1v32 h ARG 18 Ca -0.45 0.01 0.18 0.00 -0.81 0.00 0.00 59.98 58.90 1v32 h ARG 18 Cb 1.19 0.03 -0.17 0.00 -0.42 0.00 0.00 29.97 30.60 1v32 h ARG 18 CO 0.62 -0.07 -0.23 1.04 -1.51 0.00 0.00 179.97 179.82 1v32 n GLN 19 N -5.30 -0.08 -0.03 0.20 6.02 -1.26 0.14 117.38 117.06 1v32 n GLN 19 Ca -0.01 1.41 -0.02 0.00 -0.01 0.00 0.00 57.00 58.37 1v32 n GLN 19 Cb 0.22 -2.11 -0.01 0.00 1.02 0.00 0.00 30.24 29.36 1v32 n GLN 19 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 1v32 h LEU 20 N 0.00 -0.03 0.00 1.08 5.85 -1.62 -3.04 115.31 117.54 1v32 h LEU 20 Ca 0.43 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.06 1v32 h LEU 20 Cb 0.66 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.70 1v32 h LEU 20 CO -0.93 0.51 0.00 -0.38 -0.34 0.00 0.00 178.44 177.30 1v32 n ILE 21 N -4.79 0.00 -0.36 4.05 2.08 0.23 0.27 119.36 120.83 1v32 n ILE 21 Ca -0.01 1.47 -0.10 0.00 0.56 0.00 0.00 62.75 64.66 1v32 n ILE 21 Cb 0.06 -2.00 -0.09 0.00 -0.75 0.00 0.00 39.64 36.86 1v32 n ILE 21 CO 0.00 0.00 0.00 -0.08 0.56 0.00 0.00 176.55 177.03 1v32 h GLU 22 N 0.00 -0.02 -1.12 0.38 4.22 0.11 1.73 114.58 119.88 1v32 h GLU 22 Ca 0.00 0.00 0.32 0.00 0.08 0.00 0.00 59.36 59.76 1v32 h GLU 22 Cb 0.00 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 29.15 1v32 h GLU 22 CO 0.00 -0.01 0.73 0.35 -2.18 0.00 0.00 179.01 177.89 1v32 h PHE 23 N -0.02 0.60 0.17 0.92 3.57 -1.11 0.54 116.94 121.62 1v32 h PHE 23 Ca 0.14 0.02 -0.28 0.00 3.53 0.00 0.00 57.97 61.39 1v32 h PHE 23 Cb 0.38 -0.17 0.03 0.00 2.79 0.00 0.00 35.95 38.98 1v32 h PHE 23 CO -1.00 -0.03 -1.18 -0.07 -2.23 0.00 0.00 178.31 173.80 1v32 h LEU 24 N 0.29 0.74 -0.32 0.59 3.38 0.61 -3.07 115.31 117.51 1v32 h LEU 24 Ca 0.66 -0.89 0.06 0.00 0.09 0.00 0.00 57.88 57.80 1v32 h LEU 24 Cb 1.85 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 42.30 1v32 h LEU 24 CO -0.33 1.57 -0.08 0.45 0.09 0.00 0.00 178.44 180.14 1v32 h HIS 25 N 0.02 -0.17 0.40 1.13 3.86 0.68 0.11 115.15 121.19 1v32 h HIS 25 Ca -0.20 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.04 1v32 h HIS 25 Cb 1.91 0.12 -0.03 0.00 1.06 0.00 0.00 27.41 30.47 1v32 h HIS 25 CO 0.15 -0.14 -0.48 0.66 0.86 0.00 0.00 177.93 178.98 1v32 h SER 26 N 0.00 -1.35 -1.76 2.45 4.64 -0.74 0.18 113.55 116.97 1v32 h SER 26 Ca 0.16 0.12 0.53 0.00 -0.47 0.00 0.00 61.79 62.12 1v32 h SER 26 Cb 0.24 0.46 -0.09 0.00 -0.31 0.00 0.00 62.40 62.69 1v32 h SER 26 CO -0.33 -0.62 1.24 -0.07 -0.87 0.00 0.00 176.83 176.17 1v32 h LEU 27 N -0.91 0.06 0.00 5.97 3.38 -1.35 -3.42 115.31 119.04 1v32 h LEU 27 Ca -0.04 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1v32 h LEU 27 Cb 0.82 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1v32 h LEU 27 CO -0.11 -0.06 0.00 0.61 0.09 0.00 0.00 178.44 178.97 1v32 n GLY 28 N -1.80 1.62 3.74 0.83 0.00 0.05 -5.12 105.19 104.51 1v32 n GLY 28 Ca 0.42 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.15 1v32 n GLY 28 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v32 s LYS 29 N -0.08 1.23 -0.13 1.61 -0.14 -0.03 -4.99 119.74 117.21 1v32 s LYS 29 Ca 0.00 0.59 0.04 0.00 -1.36 0.00 0.00 55.97 55.24 1v32 s LYS 29 Cb 0.00 -1.82 -0.24 0.00 -1.68 0.00 0.00 37.83 34.09 1v32 s LYS 29 CO 0.00 -2.20 0.33 -0.25 -0.76 0.00 0.00 175.35 172.46 1v32 n ASP 30 N -3.82 1.47 -3.23 2.83 9.92 -1.26 -4.56 116.55 117.89 1v32 n ASP 30 Ca 0.06 0.19 -0.16 0.00 -0.53 0.00 0.00 54.79 54.36 1v32 n ASP 30 Cb 0.57 -0.33 0.02 0.00 -0.64 0.00 0.00 41.12 40.74 1v32 n ASP 30 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1v32 n THR 31 N -3.23 -4.53 0.00 -3.53 -2.24 -1.26 -4.87 114.28 94.63 1v32 n THR 31 Ca -0.30 0.52 0.00 0.00 -2.27 0.00 0.00 64.05 62.00 1v32 n THR 31 Cb 1.05 -3.97 0.00 0.00 -2.10 0.00 0.00 70.33 65.31 1v32 n THR 31 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1v32 n SER 32 N 0.55 0.00 0.00 3.42 2.88 -1.26 -4.90 113.62 114.30 1v32 n SER 32 Ca -0.02 0.00 0.10 0.00 -1.33 0.00 0.00 58.87 57.61 1v32 n SER 32 Cb 0.52 0.14 0.57 0.00 -0.75 0.00 0.00 64.21 64.69 1v32 n SER 32 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1v32 n GLU 33 N -1.70 0.98 -2.53 -1.46 0.00 -1.26 -4.91 120.64 109.76 1v32 n GLU 33 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 57.16 57.11 1v32 n GLU 33 Cb 0.00 -1.31 -0.05 0.00 0.00 0.00 0.00 31.44 30.09 1v32 n GLU 33 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.13 177.01 1v32 n MET 34 N -0.81 -4.47 -3.26 5.31 0.00 -1.26 -4.97 117.12 107.66 1v32 n MET 34 Ca 0.15 3.37 -0.37 0.00 -0.00 0.00 0.00 57.70 60.85 1v32 n MET 34 Cb 0.07 -4.90 -0.06 0.00 0.00 0.00 0.00 33.22 28.33 1v32 n MET 34 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 175.97 176.39 1v32 s ILE 35 N -0.63 4.73 0.97 1.12 1.01 -1.26 -5.05 121.20 122.09 1v32 s ILE 35 Ca -0.27 1.12 -0.11 0.00 0.00 0.00 0.00 60.65 61.39 1v32 s ILE 35 Cb 0.02 -3.85 0.18 0.00 0.01 0.00 0.00 42.46 38.82 1v32 s ILE 35 CO 0.73 0.39 1.10 -0.44 0.00 0.00 0.00 174.94 176.72 1v32 s SER 36 N -1.41 2.54 0.02 3.58 0.01 -1.26 -4.83 113.70 112.35 1v32 s SER 36 Ca 0.35 1.87 -0.19 0.00 1.31 0.00 0.00 55.95 59.29 1v32 s SER 36 Cb -0.18 -2.44 -0.10 0.00 0.21 0.00 0.00 66.02 63.52 1v32 s SER 36 CO 0.20 -3.29 1.05 -0.09 0.41 0.00 0.00 173.24 171.52 1v32 h ARG 37 N -1.99 -0.65 -1.01 12.44 2.43 -1.99 -2.26 114.38 121.34 1v32 h ARG 37 Ca -0.49 0.04 0.38 0.00 -0.81 0.00 0.00 59.98 59.10 1v32 h ARG 37 Cb 1.29 0.15 -0.13 0.00 -0.42 0.00 0.00 29.97 30.85 1v32 h ARG 37 CO 0.47 -0.43 0.61 0.98 -1.51 0.00 0.00 179.97 180.09 1v32 n TYR 38 N -4.20 0.75 0.12 2.20 4.19 -1.26 0.17 117.16 119.14 1v32 n TYR 38 Ca -0.08 0.76 -0.13 0.00 3.31 0.00 0.00 57.90 61.76 1v32 n TYR 38 Cb 0.26 -1.17 -0.08 0.00 0.49 0.00 0.00 39.34 38.84 1v32 n TYR 38 CO 0.00 0.00 0.00 0.22 0.91 0.00 0.00 176.86 177.99 1v32 h ASP 39 N 0.00 -0.29 -0.42 2.98 3.58 -1.89 -1.54 116.42 118.84 1v32 h ASP 39 Ca 0.72 -0.23 0.08 0.00 0.42 0.00 0.00 57.03 58.03 1v32 h ASP 39 Cb 2.15 0.08 -0.09 0.00 1.72 0.00 0.00 39.33 43.19 1v32 h ASP 39 CO -0.50 0.12 -0.31 0.58 -2.88 0.00 0.00 179.24 176.25 1v32 h VAL 40 N -0.76 0.24 0.18 2.25 2.07 0.24 0.22 116.25 120.69 1v32 h VAL 40 Ca -0.04 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.49 1v32 h VAL 40 Cb 0.50 0.24 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 1v32 h VAL 40 CO 0.06 0.00 -0.48 -1.28 0.02 0.00 0.00 177.57 175.89 1v32 h SER 41 N -0.23 -1.41 -0.88 0.57 0.87 -1.03 0.15 113.55 111.59 1v32 h SER 41 Ca 0.18 0.14 0.24 0.00 -1.23 0.00 0.00 61.79 61.12 1v32 h SER 41 Cb 0.53 0.51 -0.15 0.00 -0.44 0.00 0.00 62.40 62.85 1v32 h SER 41 CO -0.55 -0.53 0.16 -0.78 -0.53 0.00 0.00 176.83 174.61 1v32 h ASP 42 N -0.73 -0.15 -0.58 6.23 1.82 -0.45 1.60 116.42 124.17 1v32 h ASP 42 Ca -0.02 0.22 -0.01 0.00 -0.39 0.00 0.00 57.03 56.83 1v32 h ASP 42 Cb 0.71 0.33 -0.03 0.00 0.68 0.00 0.00 39.33 41.02 1v32 h ASP 42 CO -0.22 -0.21 0.32 0.74 -1.61 0.00 0.00 179.24 178.26 1v32 h THR 43 N 0.14 1.19 0.23 2.25 2.02 0.76 0.36 112.91 119.86 1v32 h THR 43 Ca 0.55 -0.48 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 1v32 h THR 43 Cb 1.11 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1v32 h THR 43 CO -0.72 0.21 -0.11 0.40 0.37 0.00 0.00 175.52 175.67 1v32 h ILE 44 N 0.84 0.79 -0.74 3.11 2.04 0.48 0.37 117.51 124.40 1v32 h ILE 44 Ca 0.21 -0.80 0.08 0.00 1.00 0.00 0.00 64.86 65.35 1v32 h ILE 44 Cb 0.04 1.21 -0.07 0.00 -0.74 0.00 0.00 36.82 37.26 1v32 h ILE 44 CO -0.03 0.16 0.40 0.00 0.00 0.00 0.00 178.15 178.68 1v32 h ALA 45 N -0.18 1.02 -0.07 1.87 0.00 -0.05 0.57 119.26 122.42 1v32 h ALA 45 Ca -0.03 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1v32 h ALA 45 Cb 0.50 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1v32 h ALA 45 CO 0.05 0.03 0.02 -0.22 0.00 0.00 0.00 179.25 179.13 1v32 h LYS 46 N 0.69 0.10 -0.53 0.00 3.64 -0.25 -2.64 116.57 117.59 1v32 h LYS 46 Ca 0.35 -0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.75 1v32 h LYS 46 Cb 0.31 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.07 1v32 h LYS 46 CO -0.24 0.29 0.27 -0.92 -2.27 0.00 0.00 179.45 176.59 1v32 h TYR 47 N -0.10 0.50 -0.53 1.91 3.20 0.70 0.72 116.97 123.36 1v32 h TYR 47 Ca 0.02 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.02 1v32 h TYR 47 Cb 0.24 -0.15 -0.10 0.00 1.54 0.00 0.00 36.73 38.26 1v32 h TYR 47 CO 0.00 0.24 -0.07 0.82 -1.64 0.00 0.00 178.16 177.52 1v32 h ILE 48 N 0.52 0.52 -0.16 1.81 2.04 0.24 -0.62 117.51 121.87 1v32 h ILE 48 Ca 0.24 -0.02 -0.10 0.00 1.00 0.00 0.00 64.86 65.98 1v32 h ILE 48 Cb 0.14 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1v32 h ILE 48 CO -0.16 0.01 -0.28 -1.28 0.00 0.00 0.00 178.15 176.44 1v32 h SER 49 N 0.05 0.52 -0.24 1.72 0.87 -1.00 1.58 113.55 117.04 1v32 h SER 49 Ca 0.26 -0.54 0.02 0.00 -1.23 0.00 0.00 61.79 60.31 1v32 h SER 49 Cb 0.41 -0.15 -0.03 0.00 -0.44 0.00 0.00 62.40 62.19 1v32 h SER 49 CO -0.50 0.96 -0.17 0.50 -0.53 0.00 0.00 176.83 177.09 1v32 h LYS 50 N 0.09 -0.03 -0.00 2.24 1.63 0.17 -2.65 116.57 118.02 1v32 h LYS 50 Ca 0.01 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.81 1v32 h LYS 50 Cb 0.86 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.50 1v32 h LYS 50 CO 0.06 -0.02 -0.01 0.93 -3.45 0.00 0.00 179.45 176.96 1v32 h GLU 51 N -0.03 0.02 0.00 1.90 4.39 -1.25 -3.48 114.58 116.12 1v32 h GLU 51 Ca 0.04 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.73 1v32 h GLU 51 Cb 0.13 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1v32 h GLU 51 CO -0.24 0.60 0.00 0.41 -1.16 0.00 0.00 179.01 178.62 1v32 n GLY 52 N 0.51 0.98 0.18 -3.84 0.00 0.18 -5.02 105.19 98.17 1v32 n GLY 52 Ca -0.09 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.07 1v32 n GLY 52 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1v32 h LEU 53 N 0.00 0.00 -9.33 0.99 4.07 0.17 -3.46 115.31 107.75 1v32 h LEU 53 Ca 0.00 0.00 -0.48 0.00 0.08 0.00 0.00 57.88 57.48 1v32 h LEU 53 Cb 0.00 0.00 0.25 0.00 1.08 0.00 0.00 40.66 41.99 1v32 h LEU 53 CO 0.00 0.00 -1.88 0.18 -1.08 0.00 0.00 178.44 175.66 1v32 n LEU 54 N -2.67 -2.75 -4.48 1.67 4.77 -1.24 0.18 117.00 112.49 1v32 n LEU 54 Ca 0.03 -0.04 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 1v32 n LEU 54 Cb 0.39 -0.74 -0.13 0.00 -2.33 0.00 0.00 43.42 40.61 1v32 n LEU 54 CO 0.29 -2.97 -0.45 -0.62 -1.33 0.00 0.00 177.39 172.30 1v32 s ASP 55 N -1.42 4.04 0.19 -1.43 2.15 -1.24 -4.23 116.67 114.74 1v32 s ASP 55 Ca 0.46 -0.20 0.05 0.00 0.43 0.00 0.00 52.55 53.29 1v32 s ASP 55 Cb -0.02 -0.87 0.09 0.00 -0.30 0.00 0.00 42.92 41.82 1v32 s ASP 55 CO 0.67 0.34 1.45 1.55 -0.17 0.00 0.00 175.17 179.01 1v32 h PRO 56 N 5.38 0.14 -0.07 4.34 0.13 -1.95 -1.58 132.00 138.39 1v32 h PRO 56 Ca -0.46 -0.14 -0.13 0.00 -0.87 0.00 0.00 66.00 64.41 1v32 h PRO 56 Cb 1.15 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1v32 h PRO 56 CO 0.50 0.86 -0.52 1.03 -0.23 0.00 0.00 178.00 179.64 1v32 h SER 57 N 0.09 0.21 -0.80 1.44 0.87 -2.00 -3.42 113.55 109.95 1v32 h SER 57 Ca -0.03 -0.11 0.08 0.00 -1.23 0.00 0.00 61.79 60.51 1v32 h SER 57 Cb 1.38 -0.06 -0.20 0.00 -0.44 0.00 0.00 62.40 63.07 1v32 h SER 57 CO 0.12 0.70 -0.28 0.21 -0.53 0.00 0.00 176.83 177.05 1v32 s ASN 58 N -6.88 -1.31 0.53 6.23 2.47 -1.17 -5.00 114.94 109.80 1v32 s ASN 58 Ca -0.04 0.15 0.25 0.00 0.42 0.00 0.00 52.86 53.64 1v32 s ASN 58 Cb 0.13 1.83 1.39 0.00 -1.45 0.00 0.00 41.25 43.15 1v32 s ASN 58 CO 0.78 -0.24 2.01 0.11 -3.72 0.00 0.00 177.10 176.04 1v32 h LYS 59 N 7.80 0.00 -0.13 0.43 1.57 -1.54 0.47 116.57 125.16 1v32 h LYS 59 Ca -0.03 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1v32 h LYS 59 Cb 1.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.49 1v32 h LYS 59 CO 0.08 0.00 0.31 0.87 -0.57 0.00 0.00 179.45 180.15 1v32 h LYS 60 N 0.00 0.00 -6.71 3.15 1.79 -1.95 -3.41 116.57 109.45 1v32 h LYS 60 Ca 0.23 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 58.20 1v32 h LYS 60 Cb 0.92 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.60 1v32 h LYS 60 CO -0.00 0.00 -0.06 0.15 -1.08 0.00 0.00 179.45 178.46 1v32 s LYS 61 N -4.31 2.19 0.01 3.15 1.02 0.16 -3.62 119.74 118.33 1v32 s LYS 61 Ca -0.04 -1.65 -0.00 0.00 0.02 0.00 0.00 55.97 54.30 1v32 s LYS 61 Cb 0.12 -2.61 -0.01 0.00 -0.52 0.00 0.00 37.83 34.81 1v32 s LYS 61 CO 0.40 -0.98 -0.01 0.08 -0.92 0.00 0.00 175.35 173.91 1v32 s VAL 62 N -2.74 0.04 -0.35 3.17 1.01 0.17 -3.58 120.40 118.12 1v32 s VAL 62 Ca 0.63 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 62.25 1v32 s VAL 62 Cb -0.05 -0.11 0.08 0.00 0.00 0.00 0.00 36.38 36.30 1v32 s VAL 62 CO 0.40 -0.20 0.08 -0.69 0.00 0.00 0.00 175.10 174.70 1v32 s VAL 63 N -0.57 2.95 0.53 2.92 1.01 0.48 -1.58 120.40 126.14 1v32 s VAL 63 Ca -0.06 -1.81 -0.22 0.00 0.00 0.00 0.00 61.98 59.89 1v32 s VAL 63 Cb -0.04 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.39 1v32 s VAL 63 CO -0.00 -0.41 1.36 0.00 0.00 0.00 0.00 175.10 176.05 1v32 n ASP 65 N -0.89 1.86 0.08 0.00 2.03 -1.26 -4.91 116.55 113.45 1v32 n ASP 65 Ca 0.09 0.05 0.00 0.00 0.52 0.00 0.00 54.79 55.46 1v32 n ASP 65 Cb 0.45 -0.26 0.00 0.00 -0.72 0.00 0.00 41.12 40.58 1v32 n ASP 65 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1v32 n LYS 66 N -3.20 0.00 -0.24 -0.67 4.81 -1.26 -4.89 118.16 112.70 1v32 n LYS 66 Ca -0.21 0.00 0.05 0.00 -0.87 0.00 0.00 58.31 57.28 1v32 n LYS 66 Cb 0.68 0.00 0.17 0.00 0.02 0.00 0.00 35.03 35.89 1v32 n LYS 66 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1v32 h ARG 67 N 0.00 0.19 -0.35 1.64 3.08 -1.98 0.95 114.38 117.91 1v32 h ARG 67 Ca 0.00 -0.01 -0.12 0.00 0.07 0.00 0.00 59.98 59.92 1v32 h ARG 67 Cb 0.00 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 1v32 h ARG 67 CO 0.00 0.13 -0.28 -0.07 -1.07 0.00 0.00 179.97 178.67 1v32 h LEU 68 N 0.20 0.75 0.56 3.04 3.38 -1.95 -2.38 115.31 118.90 1v32 h LEU 68 Ca 0.40 -0.29 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1v32 h LEU 68 Cb 0.70 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 41.25 1v32 h LEU 68 CO -0.56 0.99 -0.27 0.58 0.09 0.00 0.00 178.44 179.27 1v32 h VAL 69 N 0.62 0.42 0.00 1.22 2.07 -0.45 0.39 116.25 120.52 1v32 h VAL 69 Ca 0.08 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.44 1v32 h VAL 69 Cb 0.79 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1v32 h VAL 69 CO 0.07 0.02 0.25 -0.07 0.02 0.00 0.00 177.57 177.86 1v32 h LEU 70 N -0.86 0.00 0.00 2.57 4.07 0.72 1.55 115.31 123.36 1v32 h LEU 70 Ca -0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.88 1v32 h LEU 70 Cb 0.62 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.36 1v32 h LEU 70 CO 0.13 0.00 0.00 -0.11 -1.08 0.00 0.00 178.44 177.38 1v32 n LEU 71 N -2.90 0.58 -0.07 1.67 7.94 -0.54 -4.60 117.00 119.08 1v32 n LEU 71 Ca -0.02 0.30 -0.12 0.00 -1.11 0.00 0.00 56.01 55.06 1v32 n LEU 71 Cb 0.30 -0.38 -0.09 0.00 0.53 0.00 0.00 43.42 43.79 1v32 n LEU 71 CO 0.15 -0.38 0.02 -0.26 -1.11 0.00 0.00 177.39 175.80 1v32 h PHE 72 N 0.00 0.00 0.00 1.96 0.04 0.01 -3.45 116.94 115.50 1v32 h PHE 72 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1v32 h PHE 72 Cb 0.00 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.15 1v32 h PHE 72 CO 0.00 0.79 0.00 0.41 -0.60 0.00 0.00 178.31 178.91 1v32 n GLY 73 N 1.61 0.82 3.98 -1.45 0.00 0.53 -5.01 105.19 105.66 1v32 n GLY 73 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.67 1v32 n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1v32 s THR 74 N -2.00 2.45 -0.21 2.61 -4.23 -1.26 -4.95 115.64 108.04 1v32 s THR 74 Ca 0.00 -0.65 -0.16 0.00 -1.18 0.00 0.00 61.69 59.71 1v32 s THR 74 Cb 0.00 -2.80 -0.10 0.00 1.34 0.00 0.00 72.50 70.94 1v32 s THR 74 CO 0.00 0.00 -0.21 -1.14 -0.54 0.00 0.00 174.62 172.73 1v32 n ARG 75 N -2.52 0.54 -4.61 3.99 3.00 -1.26 -4.39 116.66 111.40 1v32 n ARG 75 Ca 0.11 0.36 -0.31 0.00 -0.00 0.00 0.00 57.85 58.01 1v32 n ARG 75 Cb 0.60 -1.56 -0.12 0.00 0.00 0.00 0.00 32.46 31.37 1v32 n ARG 75 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1v32 s THR 76 N -2.54 2.91 0.16 5.15 -4.23 -1.26 0.11 115.64 115.93 1v32 s THR 76 Ca -0.29 -1.15 -0.12 0.00 -1.18 0.00 0.00 61.69 58.95 1v32 s THR 76 Cb 0.08 -2.24 0.01 0.00 1.34 0.00 0.00 72.50 71.69 1v32 s THR 76 CO 0.44 0.33 0.35 0.27 -0.54 0.00 0.00 174.62 175.47 1v32 s ILE 77 N -0.95 0.07 -0.28 2.99 -4.36 -0.61 -4.96 121.20 113.10 1v32 s ILE 77 Ca 0.15 -1.09 -0.17 0.00 -0.26 0.00 0.00 60.65 59.28 1v32 s ILE 77 Cb -0.11 -1.61 -0.03 0.00 1.25 0.00 0.00 42.46 41.97 1v32 s ILE 77 CO 0.06 -0.30 0.46 -0.36 0.24 0.00 0.00 174.94 175.03 1v32 s PHE 78 N -3.91 3.25 0.58 1.37 0.40 -1.26 0.44 117.98 118.85 1v32 s PHE 78 Ca 0.11 0.49 0.39 0.00 -0.60 0.00 0.00 56.93 57.32 1v32 s PHE 78 Cb 0.02 -2.68 1.42 0.00 0.51 0.00 0.00 43.02 42.29 1v32 s PHE 78 CO -0.04 -0.29 1.53 -0.09 0.70 0.00 0.00 175.22 177.02 1v32 h ARG 79 N 8.13 0.00 0.00 0.44 2.43 -1.83 0.66 114.38 124.22 1v32 h ARG 79 Ca -0.30 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.87 1v32 h ARG 79 Cb 1.15 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 1v32 h ARG 79 CO 0.69 0.00 -0.02 0.52 -1.51 0.00 0.00 179.97 179.65 1v32 h MET 80 N 0.00 0.00 -0.41 0.20 2.86 -1.91 -3.26 114.93 112.41 1v32 h MET 80 Ca 0.70 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 58.45 1v32 h MET 80 Cb 3.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 34.79 1v32 h MET 80 CO -0.01 0.80 0.52 0.87 1.06 0.00 0.00 176.91 180.15 1v32 h LYS 81 N -1.00 0.00 -0.75 1.72 1.79 -0.13 -2.12 116.57 116.07 1v32 h LYS 81 Ca -0.01 0.00 0.07 0.00 -2.18 0.00 0.00 60.65 58.53 1v32 h LYS 81 Cb 0.80 0.00 -0.09 0.00 -1.58 0.00 0.00 32.23 31.36 1v32 h LYS 81 CO -0.00 0.00 -0.44 0.28 -1.08 0.00 0.00 179.45 178.20 1v32 n VAL 82 N -3.52 -0.51 -0.25 0.50 0.31 -0.30 0.19 118.33 114.74 1v32 n VAL 82 Ca 0.07 2.18 -0.01 0.00 -0.01 0.00 0.00 64.34 66.57 1v32 n VAL 82 Cb 0.68 -2.72 0.06 0.00 -0.91 0.00 0.00 33.84 30.95 1v32 n VAL 82 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1v32 h TYR 83 N 0.00 -0.64 0.26 3.52 3.20 -1.60 0.28 116.97 121.99 1v32 h TYR 83 Ca 0.12 0.07 -0.01 0.00 3.14 0.00 0.00 58.73 62.05 1v32 h TYR 83 Cb 0.31 0.39 0.00 0.00 1.54 0.00 0.00 36.73 38.97 1v32 h TYR 83 CO -1.00 -0.35 -0.12 -0.44 -1.64 0.00 0.00 178.16 174.61 1v32 h ASP 84 N -0.06 -0.29 -0.99 -2.11 5.19 -0.45 -2.64 116.42 115.07 1v32 h ASP 84 Ca 0.31 -0.06 0.28 0.00 -0.62 0.00 0.00 57.03 56.94 1v32 h ASP 84 Cb 0.55 0.08 -0.19 0.00 0.18 0.00 0.00 39.33 39.95 1v32 h ASP 84 CO -0.76 -0.12 0.03 0.18 -3.12 0.00 0.00 179.24 175.45 1v32 n LEU 85 N -5.19 -0.11 0.00 1.55 4.77 0.51 -4.15 117.00 114.37 1v32 n LEU 85 Ca -0.10 1.69 0.00 0.00 -0.03 0.00 0.00 56.01 57.57 1v32 n LEU 85 Cb 0.19 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.66 1v32 n LEU 85 CO 0.34 -1.71 0.00 0.18 -1.33 0.00 0.00 177.39 174.87 1v32 n LEU 86 N -5.49 0.00 0.00 2.23 4.77 -0.20 -4.27 117.00 114.04 1v32 n LEU 86 Ca 0.24 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.22 1v32 n LEU 86 Cb 0.77 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.86 1v32 n LEU 86 CO -0.07 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.20 1v32 n GLU 87 N 0.00 0.00 0.05 3.23 2.13 -1.26 -3.82 120.64 120.97 1v32 n GLU 87 Ca 0.00 0.00 0.06 0.00 0.66 0.00 0.00 57.16 57.88 1v32 n GLU 87 Cb 0.00 0.00 0.29 0.00 0.27 0.00 0.00 31.44 32.00 1v32 n GLU 87 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1v32 n LYS 88 N 0.00 0.06 -0.98 5.31 5.02 -1.26 -2.34 118.16 123.97 1v32 n LYS 88 Ca 0.00 0.41 -0.19 0.00 -2.02 0.00 0.00 58.31 56.51 1v32 n LYS 88 Cb 0.00 -1.63 0.03 0.00 -0.02 0.00 0.00 35.03 33.41 1v32 n LYS 88 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 1v32 n HIS 89 N -1.74 1.71 -3.89 2.13 8.25 -1.25 -4.86 115.22 115.57 1v32 n HIS 89 Ca 0.01 -2.07 -0.09 0.00 -0.26 0.00 0.00 57.72 55.32 1v32 n HIS 89 Cb 0.11 -1.04 -0.08 0.00 1.12 0.00 0.00 29.99 30.10 1v32 n HIS 89 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 1v32 s TYR 90 N -2.00 0.20 0.00 4.41 1.51 -0.99 -3.45 117.35 117.02 1v32 s TYR 90 Ca 0.36 -0.63 0.00 0.00 -1.01 0.00 0.00 57.07 55.80 1v32 s TYR 90 Cb 0.28 -0.11 0.00 0.00 -0.11 0.00 0.00 41.96 42.02 1v32 s TYR 90 CO -0.02 -0.51 0.00 1.17 -1.11 0.00 0.00 175.55 175.08 1v32 n LYS 91 N 0.04 3.21 -2.63 -0.62 4.81 -0.84 -4.34 118.16 117.79 1v32 n LYS 91 Ca -0.15 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.26 1v32 n LYS 91 Cb 0.62 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.64 1v32 n LYS 91 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1v32 n GLU 92 N 0.00 -3.63 0.00 1.64 4.71 -1.26 -3.51 120.64 118.58 1v32 n GLU 92 Ca 0.00 2.76 0.00 0.00 -0.01 0.00 0.00 57.16 59.91 1v32 n GLU 92 Cb 0.00 -3.70 0.00 0.00 -1.01 0.00 0.00 31.44 26.73 1v32 n GLU 92 CO 0.00 0.00 0.00 -1.71 0.09 0.00 0.00 177.13 175.51 1v32 n ASN 93 N 1.96 0.00 -4.10 1.62 5.15 -1.26 -4.83 115.26 113.80 1v32 n ASN 93 Ca -0.23 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 53.46 1v32 n ASN 93 Cb 0.35 0.00 0.24 0.00 -0.53 0.00 0.00 39.78 39.84 1v32 n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1v32 n GLN 94 N 0.00 -2.80 0.00 1.20 6.02 -1.23 -5.04 117.38 115.54 1v32 n GLN 94 Ca 0.00 -0.80 0.00 0.00 -0.01 0.00 0.00 57.00 56.19 1v32 n GLN 94 Cb 0.00 -1.92 0.00 0.00 1.02 0.00 0.00 30.24 29.34 1v32 n GLN 94 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1v32 n ASP 95 N -3.95 0.00 -4.43 1.08 -0.08 -1.26 -4.75 116.55 103.16 1v32 n ASP 95 Ca 0.04 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.11 1v32 n ASP 95 Cb 0.56 0.00 -0.11 0.00 2.34 0.00 0.00 41.12 43.91 1v32 n ASP 95 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 1v32 s SER 96 N 0.00 2.28 0.00 1.67 0.01 -1.26 -5.11 113.70 111.29 1v32 s SER 96 Ca 0.00 -1.35 0.00 0.00 1.31 0.00 0.00 55.95 55.91 1v32 s SER 96 Cb 0.00 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.16 1v32 s SER 96 CO 0.00 -0.59 0.00 0.61 0.41 0.00 0.00 173.24 173.67 1v32 n GLY 97 N -0.64 0.66 3.74 3.44 0.00 -1.26 -4.95 105.19 106.18 1v32 n GLY 97 Ca -0.03 -2.16 -0.30 0.00 0.00 0.00 0.00 46.02 43.53 1v32 n GLY 97 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v32 n PRO 98 N -0.13 -2.24 -3.71 1.61 -0.04 -1.26 -5.13 135.00 124.10 1v32 n PRO 98 Ca 0.00 -1.93 -0.29 0.00 -0.04 0.00 0.00 63.50 61.24 1v32 n PRO 98 Cb 0.00 -1.52 -0.12 0.00 -0.04 0.00 0.00 33.50 31.81 1v32 n PRO 98 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1v32 s SER 99 N -5.23 3.57 -0.17 3.54 0.01 -1.26 -4.94 113.70 109.22 1v32 s SER 99 Ca 0.74 -2.92 -0.15 0.00 1.31 0.00 0.00 55.95 54.94 1v32 s SER 99 Cb -0.04 -1.08 -0.06 0.00 0.21 0.00 0.00 66.02 65.05 1v32 s SER 99 CO 0.54 -0.22 -0.27 -0.24 0.41 0.00 0.00 173.24 173.47 1v32 n SER 100 N 3.15 1.89 0.00 2.44 2.88 -1.26 -5.33 113.62 117.39 1v32 n SER 100 Ca 0.13 0.45 0.09 0.00 -1.33 0.00 0.00 58.87 58.20 1v32 n SER 100 Cb 0.36 -0.80 0.50 0.00 -0.75 0.00 0.00 64.21 63.53 1v32 n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42