#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 4.13 -0.15 1.61 0.15 -1.26 -5.09 113.70 113.10 1v32 s SER 2 Ca 0.00 -1.37 -0.13 0.00 0.70 0.00 0.00 55.95 55.15 1v32 s SER 2 Cb 0.00 -0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.17 1v32 s SER 2 CO 0.00 -0.63 -0.24 -0.24 1.20 0.00 0.00 173.24 173.32 1v32 n SER 3 N -1.17 1.71 0.00 5.45 2.88 -1.26 -5.13 113.62 116.10 1v32 n SER 3 Ca -0.08 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 57.91 1v32 n SER 3 Cb 0.66 -0.78 0.00 0.00 -0.75 0.00 0.00 64.21 63.35 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 1.54 2.45 3.31 0.46 0.00 -1.26 -5.11 105.19 106.58 1v32 n GLY 4 Ca -0.10 -1.64 -0.10 0.00 0.00 0.00 0.00 46.02 44.18 1v32 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v32 s SER 5 N 0.00 -0.52 0.67 1.61 0.01 -1.26 -5.16 113.70 109.05 1v32 s SER 5 Ca 0.00 0.98 -0.09 0.00 1.31 0.00 0.00 55.95 58.14 1v32 s SER 5 Cb 0.00 0.95 0.02 0.00 0.21 0.00 0.00 66.02 67.19 1v32 s SER 5 CO 0.00 -0.20 1.03 -0.55 0.41 0.00 0.00 173.24 173.92 1v32 s SER 6 N 1.66 5.46 0.00 2.44 0.15 -1.26 -5.05 113.70 117.10 1v32 s SER 6 Ca -0.08 0.95 0.00 0.00 0.70 0.00 0.00 55.95 57.52 1v32 s SER 6 Cb -0.09 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.42 1v32 s SER 6 CO -0.14 -1.26 0.00 0.61 1.20 0.00 0.00 173.24 173.65 1v32 n GLY 7 N -2.86 2.70 3.51 9.45 0.00 -1.26 -5.12 105.19 111.61 1v32 n GLY 7 Ca 0.06 -0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1v32 n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1v32 s LYS 8 N 4.92 3.32 -0.23 1.61 2.47 -1.26 -5.05 119.74 125.53 1v32 s LYS 8 Ca 0.00 -0.72 -0.26 0.00 -1.56 0.00 0.00 55.97 53.43 1v32 s LYS 8 Cb 0.00 -3.87 -0.00 0.00 -1.46 0.00 0.00 37.83 32.50 1v32 s LYS 8 CO 0.00 -0.58 0.91 1.03 0.16 0.00 0.00 175.35 176.87 1v32 s ARG 9 N 1.81 4.23 0.40 4.03 0.52 -1.26 -5.02 118.95 123.66 1v32 s ARG 9 Ca 0.07 1.11 0.05 0.00 -0.52 0.00 0.00 55.73 56.45 1v32 s ARG 9 Cb -0.18 -3.63 -0.02 0.00 0.52 0.00 0.00 34.95 31.64 1v32 s ARG 9 CO 0.11 -0.53 0.18 0.12 0.02 0.00 0.00 175.30 175.20 1v32 s PHE 10 N 2.87 1.78 -0.08 -0.53 5.36 -1.26 -5.09 117.98 121.03 1v32 s PHE 10 Ca 0.39 -1.42 -0.39 0.00 -0.96 0.00 0.00 56.93 54.54 1v32 s PHE 10 Cb -0.15 -1.04 -0.18 0.00 -0.34 0.00 0.00 43.02 41.31 1v32 s PHE 10 CO 0.08 -0.48 1.39 -0.85 -1.46 0.00 0.00 175.22 173.90 1v32 n GLU 11 N -0.87 0.74 -1.59 10.12 0.28 -1.26 -4.45 120.64 123.62 1v32 n GLU 11 Ca -0.03 0.27 0.01 0.00 -0.16 0.00 0.00 57.16 57.25 1v32 n GLU 11 Cb 0.64 -1.87 -0.00 0.00 1.43 0.00 0.00 31.44 31.64 1v32 n GLU 11 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1v32 n PHE 12 N 3.07 -4.21 -3.01 -1.84 3.01 -1.26 -4.58 117.46 108.64 1v32 n PHE 12 Ca 0.22 2.28 -0.44 0.00 1.01 0.00 0.00 57.45 60.52 1v32 n PHE 12 Cb 0.12 -3.54 0.00 0.00 -0.01 0.00 0.00 39.48 36.06 1v32 n PHE 12 CO 0.00 0.00 0.00 1.55 1.01 0.00 0.00 176.76 179.32 1v32 n VAL 13 N -2.67 4.36 0.00 -4.37 3.14 -1.05 -4.83 118.33 112.90 1v32 n VAL 13 Ca -0.00 -4.90 0.00 0.00 -2.96 0.00 0.00 64.34 56.48 1v32 n VAL 13 Cb 0.48 -2.48 0.00 0.00 -1.06 0.00 0.00 33.84 30.78 1v32 n VAL 13 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1v32 n GLY 14 N 3.61 0.99 0.05 7.55 0.00 -1.26 -4.24 105.19 111.88 1v32 n GLY 14 Ca 0.34 -0.95 -0.07 0.00 0.00 0.00 0.00 46.02 45.34 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 -4.12 1.61 4.27 -1.26 -4.96 117.44 112.98 1v32 n TRP 15 Ca 0.00 0.00 -0.22 0.00 -3.89 0.00 0.00 57.50 53.39 1v32 n TRP 15 Cb 0.00 -0.46 -0.05 0.00 -1.36 0.00 0.00 31.31 29.43 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 -4.70 1.60 0.42 -1.67 0.00 -1.26 0.94 107.32 102.64 1v32 s GLY 16 Ca -0.11 -1.57 -0.22 0.00 0.00 0.00 0.00 44.72 42.82 1v32 s GLY 16 CO 0.33 -1.59 0.99 -0.45 0.00 0.00 0.00 173.10 172.38 1v32 s SER 17 N -3.82 6.83 0.26 1.64 0.15 -1.25 -2.54 113.70 114.97 1v32 s SER 17 Ca 0.34 1.84 -0.11 0.00 0.70 0.00 0.00 55.95 58.72 1v32 s SER 17 Cb -0.06 -2.56 0.38 0.00 -1.71 0.00 0.00 66.02 62.07 1v32 s SER 17 CO 0.23 -0.43 1.56 -0.09 1.20 0.00 0.00 173.24 175.72 1v32 h ARG 18 N 2.16 -0.01 -0.95 5.44 2.43 -1.94 0.98 114.38 122.49 1v32 h ARG 18 Ca -0.49 0.00 0.32 0.00 -0.81 0.00 0.00 59.98 59.00 1v32 h ARG 18 Cb 1.20 0.00 -0.17 0.00 -0.42 0.00 0.00 29.97 30.58 1v32 h ARG 18 CO 0.61 -0.00 0.22 1.04 -1.51 0.00 0.00 179.97 180.33 1v32 n GLN 19 N -5.57 -0.07 -0.07 0.20 6.02 -1.26 0.19 117.38 116.81 1v32 n GLN 19 Ca 0.14 1.37 -0.09 0.00 -0.01 0.00 0.00 57.00 58.41 1v32 n GLN 19 Cb 0.46 -2.29 -0.05 0.00 1.02 0.00 0.00 30.24 29.38 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 0.00 -0.03 1.08 5.85 0.41 -3.14 115.31 119.48 1v32 h LEU 20 Ca 0.67 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 59.15 1v32 h LEU 20 Cb 1.57 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.59 1v32 h LEU 20 CO -0.82 0.92 -0.06 0.40 -0.34 0.00 0.00 178.44 178.54 1v32 h ILE 21 N -1.00 0.00 -0.76 4.05 1.08 0.11 0.58 117.51 121.58 1v32 h ILE 21 Ca -0.09 0.00 0.14 0.00 -0.39 0.00 0.00 64.86 64.52 1v32 h ILE 21 Cb 0.66 0.00 -0.14 0.00 -3.07 0.00 0.00 36.82 34.27 1v32 h ILE 21 CO -0.05 0.00 -0.27 -0.33 -0.69 0.00 0.00 178.15 176.81 1v32 h GLU 22 N -0.05 -0.05 -0.97 2.37 4.39 0.18 1.15 114.58 121.60 1v32 h GLU 22 Ca 0.01 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.86 1v32 h GLU 22 Cb 0.07 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.64 1v32 h GLU 22 CO -0.05 -0.03 0.61 0.35 -1.16 0.00 0.00 179.01 178.73 1v32 h PHE 23 N -0.05 1.02 0.00 4.33 3.57 -1.25 0.28 116.94 124.84 1v32 h PHE 23 Ca 0.33 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.69 1v32 h PHE 23 Cb 0.57 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.97 1v32 h PHE 23 CO -0.67 0.35 -0.79 -0.07 -2.23 0.00 0.00 178.31 174.90 1v32 h LEU 24 N 0.84 0.00 0.42 0.59 3.38 0.60 -3.01 115.31 118.12 1v32 h LEU 24 Ca 0.51 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.46 1v32 h LEU 24 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1v32 h LEU 24 CO -0.28 0.79 -0.20 0.45 0.09 0.00 0.00 178.44 179.29 1v32 h HIS 25 N 0.00 -0.52 0.28 1.13 3.86 0.44 0.98 115.15 121.33 1v32 h HIS 25 Ca -0.01 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1v32 h HIS 25 Cb 1.46 0.17 -0.03 0.00 1.06 0.00 0.00 27.41 30.08 1v32 h HIS 25 CO 0.00 -0.26 -0.41 0.77 0.86 0.00 0.00 177.93 178.89 1v32 h SER 26 N -0.67 -1.16 -1.62 2.45 0.02 -1.08 0.10 113.55 111.60 1v32 h SER 26 Ca -0.06 0.11 0.51 0.00 -0.84 0.00 0.00 61.79 61.51 1v32 h SER 26 Cb 0.49 0.40 -0.11 0.00 0.14 0.00 0.00 62.40 63.32 1v32 h SER 26 CO 0.09 -0.49 1.11 -0.07 -1.14 0.00 0.00 176.83 176.33 1v32 h LEU 27 N -0.72 0.12 0.00 5.07 3.38 -1.54 -3.43 115.31 118.19 1v32 h LEU 27 Ca -0.03 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1v32 h LEU 27 Cb 0.65 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1v32 h LEU 27 CO -0.12 -0.13 0.00 0.61 0.09 0.00 0.00 178.44 178.89 1v32 n GLY 28 N -1.70 1.40 3.86 0.83 0.00 0.02 -5.11 105.19 104.50 1v32 n GLY 28 Ca 0.41 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.04 3.85 -0.31 1.61 -0.14 0.33 -4.99 119.74 120.05 1v32 s LYS 29 Ca 0.00 0.75 -0.12 0.00 -1.36 0.00 0.00 55.97 55.24 1v32 s LYS 29 Cb 0.00 -2.22 -0.03 0.00 -1.68 0.00 0.00 37.83 33.90 1v32 s LYS 29 CO 0.00 -0.22 0.23 0.34 -0.76 0.00 0.00 175.35 174.94 1v32 s ASP 30 N -3.24 6.06 -0.41 2.83 2.15 -1.26 -4.25 116.67 118.54 1v32 s ASP 30 Ca 0.56 -0.18 -0.12 0.00 0.43 0.00 0.00 52.55 53.23 1v32 s ASP 30 Cb -0.10 -2.14 0.05 0.00 -0.30 0.00 0.00 42.92 40.43 1v32 s ASP 30 CO 0.34 -0.15 0.27 0.42 -0.17 0.00 0.00 175.17 175.88 1v32 s THR 31 N 1.78 4.66 0.00 1.71 -4.23 -1.26 -4.57 115.64 113.72 1v32 s THR 31 Ca 0.07 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.52 1v32 s THR 31 Cb -0.17 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 69.96 1v32 s THR 31 CO 0.11 -0.40 0.00 -0.24 -0.54 0.00 0.00 174.62 173.54 1v32 n SER 32 N 5.03 0.00 0.00 3.99 2.88 -1.26 -4.92 113.62 119.34 1v32 n SER 32 Ca -0.11 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.52 1v32 n SER 32 Cb 0.45 0.01 0.55 0.00 -0.75 0.00 0.00 64.21 64.46 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 -1.99 0.95 -2.48 -1.46 2.13 -1.26 -4.95 120.64 111.58 1v32 n GLU 33 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 1v32 n GLU 33 Cb 0.00 -1.30 -0.04 0.00 0.27 0.00 0.00 31.44 30.37 1v32 n GLU 33 CO 0.00 0.00 0.00 -0.12 -0.41 0.00 0.00 177.13 176.60 1v32 n MET 34 N -0.80 -4.58 -2.89 5.31 0.00 -1.26 -4.90 117.12 107.99 1v32 n MET 34 Ca 0.14 3.43 -0.42 0.00 -0.00 0.00 0.00 57.70 60.85 1v32 n MET 34 Cb 0.06 -4.82 -0.04 0.00 0.00 0.00 0.00 33.22 28.42 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 -0.62 4.79 0.88 1.12 1.01 -1.26 -5.01 121.20 122.10 1v32 s ILE 35 Ca -0.21 1.41 -0.15 0.00 0.00 0.00 0.00 60.65 61.69 1v32 s ILE 35 Cb 0.01 -4.16 -0.05 0.00 0.01 0.00 0.00 42.46 38.28 1v32 s ILE 35 CO 0.57 -0.19 0.06 -1.20 0.00 0.00 0.00 174.94 174.18 1v32 n SER 36 N 6.18 -3.10 0.27 3.58 7.64 -1.26 -4.62 113.62 122.30 1v32 n SER 36 Ca 0.05 0.37 -0.11 0.00 1.01 0.00 0.00 58.87 60.20 1v32 n SER 36 Cb 0.48 -1.06 -0.05 0.00 -1.01 0.00 0.00 64.21 62.57 1v32 n SER 36 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1v32 h ARG 37 N -1.02 -0.66 -1.20 1.43 2.43 -1.99 -1.90 114.38 111.46 1v32 h ARG 37 Ca -0.44 0.05 0.41 0.00 -0.81 0.00 0.00 59.98 59.18 1v32 h ARG 37 Cb 1.31 0.15 -0.11 0.00 -0.42 0.00 0.00 29.97 30.91 1v32 h ARG 37 CO 0.34 -0.44 0.79 0.98 -1.51 0.00 0.00 179.97 180.12 1v32 n TYR 38 N -3.85 0.50 0.06 2.20 4.19 -1.26 -0.01 117.16 119.00 1v32 n TYR 38 Ca -0.09 0.51 -0.03 0.00 3.31 0.00 0.00 57.90 61.61 1v32 n TYR 38 Cb 0.27 -0.92 -0.01 0.00 0.49 0.00 0.00 39.34 39.17 1v32 n TYR 38 CO 0.00 0.00 0.00 -0.44 0.91 0.00 0.00 176.86 177.33 1v32 h ASP 39 N 0.00 -0.15 -0.90 2.98 3.32 -1.79 -0.49 116.42 119.39 1v32 h ASP 39 Ca 0.73 0.01 0.19 0.00 0.02 0.00 0.00 57.03 57.97 1v32 h ASP 39 Cb 2.45 0.04 -0.17 0.00 0.22 0.00 0.00 39.33 41.86 1v32 h ASP 39 CO -0.34 -0.04 -0.20 0.58 -1.72 0.00 0.00 179.24 177.52 1v32 h VAL 40 N -0.31 0.10 -0.38 -1.35 2.07 0.36 0.92 116.25 117.67 1v32 h VAL 40 Ca -0.02 -0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.54 1v32 h VAL 40 Cb 0.14 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 29.97 1v32 h VAL 40 CO 0.03 0.00 0.15 0.28 0.02 0.00 0.00 177.57 178.05 1v32 h SER 41 N 0.00 0.18 -0.93 0.57 0.02 -0.70 0.64 113.55 113.35 1v32 h SER 41 Ca 0.44 0.03 0.11 0.00 -0.84 0.00 0.00 61.79 61.53 1v32 h SER 41 Cb 0.70 0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.17 1v32 h SER 41 CO -0.92 0.14 0.56 -0.78 -1.14 0.00 0.00 176.83 174.70 1v32 h ASP 42 N 0.32 0.82 0.09 3.07 1.82 0.25 0.22 116.42 123.00 1v32 h ASP 42 Ca 0.17 0.05 -0.09 0.00 -0.39 0.00 0.00 57.03 56.77 1v32 h ASP 42 Cb 0.13 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.01 1v32 h ASP 42 CO -0.16 0.45 -0.29 0.74 -1.61 0.00 0.00 179.24 178.38 1v32 h THR 43 N 0.92 1.26 0.45 2.25 2.02 0.59 -0.89 112.91 119.51 1v32 h THR 43 Ca 0.45 -1.26 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 1v32 h THR 43 Cb 0.42 1.46 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1v32 h THR 43 CO -0.26 0.39 -0.22 0.40 0.37 0.00 0.00 175.52 176.20 1v32 h ILE 44 N 0.28 0.38 -0.38 3.11 2.04 0.15 0.39 117.51 123.48 1v32 h ILE 44 Ca 0.04 -0.53 0.08 0.00 1.00 0.00 0.00 64.86 65.45 1v32 h ILE 44 Cb 0.66 0.55 -0.07 0.00 -0.74 0.00 0.00 36.82 37.22 1v32 h ILE 44 CO 0.05 0.07 -0.10 0.00 0.00 0.00 0.00 178.15 178.16 1v32 h ALA 45 N -0.69 0.24 -0.49 1.87 0.00 -0.75 1.17 119.26 120.61 1v32 h ALA 45 Ca -0.06 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1v32 h ALA 45 Cb 0.57 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 1v32 h ALA 45 CO 0.10 -0.46 0.31 -0.22 0.00 0.00 0.00 179.25 178.98 1v32 h LYS 46 N -0.01 0.61 -0.54 0.00 3.64 -1.16 -1.64 116.57 117.46 1v32 h LYS 46 Ca 0.18 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1v32 h LYS 46 Cb 0.29 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1v32 h LYS 46 CO -0.40 0.40 0.28 -0.92 -2.27 0.00 0.00 179.45 176.55 1v32 h TYR 47 N 0.62 0.75 -0.96 1.91 3.20 0.15 0.81 116.97 123.45 1v32 h TYR 47 Ca 0.18 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.14 1v32 h TYR 47 Cb -0.04 -0.24 -0.08 0.00 1.54 0.00 0.00 36.73 37.91 1v32 h TYR 47 CO -0.05 0.56 0.59 0.82 -1.64 0.00 0.00 178.16 178.44 1v32 h ILE 48 N 0.72 0.93 0.00 1.81 2.04 0.18 0.22 117.51 123.41 1v32 h ILE 48 Ca 0.19 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.68 1v32 h ILE 48 Cb 0.07 -0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.04 1v32 h ILE 48 CO -0.03 0.17 -0.47 -1.28 0.00 0.00 0.00 178.15 176.54 1v32 h SER 49 N 0.95 0.00 0.39 1.72 0.87 -0.70 0.97 113.55 117.75 1v32 h SER 49 Ca 0.47 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 61.01 1v32 h SER 49 Cb 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.40 1v32 h SER 49 CO -0.26 0.17 -0.19 0.50 -0.53 0.00 0.00 176.83 176.53 1v32 h LYS 50 N 0.00 -0.50 -0.08 2.24 3.64 0.36 -3.34 116.57 118.88 1v32 h LYS 50 Ca -0.02 0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.25 1v32 h LYS 50 Cb 1.15 0.11 0.01 0.00 -0.41 0.00 0.00 32.23 33.09 1v32 h LYS 50 CO 0.02 -0.34 -0.52 0.93 -2.27 0.00 0.00 179.45 177.27 1v32 h GLU 51 N -0.71 0.49 0.00 1.90 4.39 -1.05 -3.48 114.58 116.12 1v32 h GLU 51 Ca -0.05 -0.42 0.00 0.00 0.34 0.00 0.00 59.36 59.22 1v32 h GLU 51 Cb 0.40 0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.15 1v32 h GLU 51 CO 0.09 1.06 0.00 0.41 -1.16 0.00 0.00 179.01 179.41 1v32 n GLY 52 N 0.78 0.76 0.16 -3.84 0.00 -0.13 -5.03 105.19 97.89 1v32 n GLY 52 Ca -0.08 -0.19 0.04 0.00 0.00 0.00 0.00 46.02 45.79 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 -9.23 0.99 4.07 0.65 -3.46 115.31 108.33 1v32 h LEU 53 Ca 0.00 0.00 -0.51 0.00 0.08 0.00 0.00 57.88 57.45 1v32 h LEU 53 Cb 0.00 0.00 0.24 0.00 1.08 0.00 0.00 40.66 41.98 1v32 h LEU 53 CO 0.00 0.43 -1.89 0.18 -1.08 0.00 0.00 178.44 176.08 1v32 n LEU 54 N -3.27 -3.45 -4.51 1.67 4.77 -1.23 0.19 117.00 111.18 1v32 n LEU 54 Ca 0.02 0.08 -0.33 0.00 -0.03 0.00 0.00 56.01 55.74 1v32 n LEU 54 Cb 0.67 -0.76 -0.13 0.00 -2.33 0.00 0.00 43.42 40.88 1v32 n LEU 54 CO 0.39 -3.85 -0.43 -0.62 -1.33 0.00 0.00 177.39 171.55 1v32 s ASP 55 N -1.29 4.24 0.48 -1.43 2.15 -1.22 -4.29 116.67 115.31 1v32 s ASP 55 Ca 0.44 -0.14 0.28 0.00 0.43 0.00 0.00 52.55 53.55 1v32 s ASP 55 Cb -0.06 -1.01 0.87 0.00 -0.30 0.00 0.00 42.92 42.42 1v32 s ASP 55 CO 0.71 0.34 1.80 1.55 -0.17 0.00 0.00 175.17 179.40 1v32 h PRO 56 N 5.40 0.00 0.00 4.34 0.13 -1.95 -2.12 132.00 137.81 1v32 h PRO 56 Ca -0.46 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.47 1v32 h PRO 56 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 1v32 h PRO 56 CO 0.51 0.00 -1.03 1.03 -0.23 0.00 0.00 178.00 178.29 1v32 h SER 57 N 0.00 0.00 -0.62 1.44 0.87 -1.99 -3.44 113.55 109.81 1v32 h SER 57 Ca 0.00 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.68 1v32 h SER 57 Cb 0.74 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 62.50 1v32 h SER 57 CO 0.00 0.93 -0.20 0.21 -0.53 0.00 0.00 176.83 177.24 1v32 s ASN 58 N -6.59 -1.01 0.42 6.23 2.47 -1.11 -5.01 114.94 110.33 1v32 s ASN 58 Ca 0.01 0.07 0.17 0.00 0.42 0.00 0.00 52.86 53.52 1v32 s ASN 58 Cb 0.09 1.61 1.07 0.00 -1.45 0.00 0.00 41.25 42.57 1v32 s ASN 58 CO 0.81 -0.18 1.86 0.11 -3.72 0.00 0.00 177.10 175.98 1v32 h LYS 59 N 7.51 0.41 -0.44 0.43 1.57 -1.68 0.68 116.57 125.04 1v32 h LYS 59 Ca -0.05 -0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.84 1v32 h LYS 59 Cb 1.18 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 1v32 h LYS 59 CO 0.02 0.27 0.58 0.87 -0.57 0.00 0.00 179.45 180.63 1v32 h LYS 60 N 0.42 0.00 -6.63 3.15 1.79 -1.95 -3.40 116.57 109.94 1v32 h LYS 60 Ca 0.46 0.00 -0.45 0.00 -2.18 0.00 0.00 60.65 58.48 1v32 h LYS 60 Cb 1.13 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 31.81 1v32 h LYS 60 CO -0.18 0.00 -0.14 0.15 -1.08 0.00 0.00 179.45 178.21 1v32 s LYS 61 N -4.47 2.48 0.00 3.15 1.02 0.24 -3.61 119.74 118.54 1v32 s LYS 61 Ca -0.04 -1.33 0.00 0.00 0.02 0.00 0.00 55.97 54.63 1v32 s LYS 61 Cb 0.13 -2.64 -0.00 0.00 -0.52 0.00 0.00 37.83 34.80 1v32 s LYS 61 CO 0.47 -0.67 -0.02 0.08 -0.92 0.00 0.00 175.35 174.29 1v32 s VAL 62 N -2.60 0.12 -0.30 3.17 1.01 0.24 -3.45 120.40 118.59 1v32 s VAL 62 Ca 0.59 -0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.40 1v32 s VAL 62 Cb -0.08 -0.12 0.02 0.00 0.00 0.00 0.00 36.38 36.20 1v32 s VAL 62 CO 0.37 0.00 0.05 -0.69 0.00 0.00 0.00 175.10 174.83 1v32 s VAL 63 N -0.12 3.61 1.08 2.92 1.01 0.50 -1.22 120.40 128.18 1v32 s VAL 63 Ca -0.00 -0.92 -0.21 0.00 0.00 0.00 0.00 61.98 60.85 1v32 s VAL 63 Cb -0.01 -2.91 0.02 0.00 0.00 0.00 0.00 36.38 33.47 1v32 s VAL 63 CO -0.00 0.03 -0.40 0.00 0.00 0.00 0.00 175.10 174.73 1v32 n ASP 65 N -0.22 0.37 0.00 0.00 5.75 -1.26 -4.98 116.55 116.22 1v32 n ASP 65 Ca 0.00 0.21 0.00 0.00 -0.01 0.00 0.00 54.79 54.99 1v32 n ASP 65 Cb 0.65 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.74 1v32 n ASP 65 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1v32 n LYS 66 N -3.18 0.00 0.00 0.11 5.02 -1.26 -4.95 118.16 113.89 1v32 n LYS 66 Ca 0.00 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.18 1v32 n LYS 66 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 34.92 1v32 n LYS 66 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1v32 h ARG 67 N 0.00 -0.10 -0.76 1.97 3.08 -1.98 -2.71 114.38 113.88 1v32 h ARG 67 Ca 0.00 0.01 0.17 0.00 0.07 0.00 0.00 59.98 60.23 1v32 h ARG 67 Cb 0.00 0.02 -0.13 0.00 0.08 0.00 0.00 29.97 29.95 1v32 h ARG 67 CO 0.00 0.46 0.07 -0.07 -1.07 0.00 0.00 179.97 179.36 1v32 h LEU 68 N -0.83 -0.23 0.25 3.04 3.38 -1.95 0.27 115.31 119.25 1v32 h LEU 68 Ca -0.01 0.18 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1v32 h LEU 68 Cb 0.61 0.30 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1v32 h LEU 68 CO 0.02 -0.14 -0.25 0.58 0.09 0.00 0.00 178.44 178.73 1v32 h VAL 69 N 0.15 0.46 0.00 1.22 2.07 -1.78 1.11 116.25 119.48 1v32 h VAL 69 Ca 0.43 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.95 1v32 h VAL 69 Cb 0.76 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 1v32 h VAL 69 CO -0.62 0.00 0.20 -0.07 0.02 0.00 0.00 177.57 177.09 1v32 h LEU 70 N -0.53 0.00 0.00 2.57 3.38 -0.47 1.34 115.31 121.60 1v32 h LEU 70 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1v32 h LEU 70 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1v32 h LEU 70 CO -0.06 0.00 0.00 -0.11 0.09 0.00 0.00 178.44 178.36 1v32 n LEU 71 N -2.94 0.27 -0.07 1.67 7.94 0.69 -4.65 117.00 119.90 1v32 n LEU 71 Ca -0.02 0.25 -0.12 0.00 -1.11 0.00 0.00 56.01 55.01 1v32 n LEU 71 Cb 0.25 -0.42 -0.09 0.00 0.53 0.00 0.00 43.42 43.69 1v32 n LEU 71 CO 0.16 -0.42 0.05 -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 0.13 -3.46 116.94 115.62 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 0.80 0.00 0.41 -0.60 0.00 0.00 178.31 178.92 1v32 n GLY 73 N 1.61 1.12 3.81 -1.45 0.00 0.46 -4.99 105.19 105.75 1v32 n GLY 73 Ca -0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 4.82 -0.05 2.61 -4.23 -1.26 -4.97 115.64 110.57 1v32 s THR 74 Ca 0.00 -0.47 -0.22 0.00 -1.18 0.00 0.00 61.69 59.82 1v32 s THR 74 Cb 0.00 -3.26 -0.17 0.00 1.34 0.00 0.00 72.50 70.42 1v32 s THR 74 CO 0.00 0.27 0.95 -0.09 -0.54 0.00 0.00 174.62 175.20 1v32 h ARG 75 N 3.76 -0.19 -6.47 3.99 9.65 -1.98 -3.41 114.38 119.74 1v32 h ARG 75 Ca -0.48 0.01 -0.65 0.00 -1.10 0.00 0.00 59.98 57.77 1v32 h ARG 75 Cb 1.18 0.04 -0.26 0.00 -1.39 0.00 0.00 29.97 29.54 1v32 h ARG 75 CO 0.65 0.25 -0.86 0.95 2.80 0.00 0.00 179.97 183.76 1v32 s THR 76 N -3.58 1.94 0.30 0.20 -4.23 -1.26 0.36 115.64 109.37 1v32 s THR 76 Ca -0.13 -1.32 -0.03 0.00 -1.18 0.00 0.00 61.69 59.03 1v32 s THR 76 Cb 0.01 -1.67 -0.01 0.00 1.34 0.00 0.00 72.50 72.16 1v32 s THR 76 CO 0.51 0.29 0.39 0.27 -0.54 0.00 0.00 174.62 175.54 1v32 s ILE 77 N -0.81 0.00 -0.26 2.99 -4.36 -0.35 -4.97 121.20 113.44 1v32 s ILE 77 Ca 0.10 -1.69 -0.08 0.00 -0.26 0.00 0.00 60.65 58.72 1v32 s ILE 77 Cb -0.09 -2.51 -0.03 0.00 1.25 0.00 0.00 42.46 41.07 1v32 s ILE 77 CO 0.02 0.00 0.09 -0.36 0.24 0.00 0.00 174.94 174.93 1v32 s PHE 78 N -3.48 3.11 0.52 1.37 0.40 -1.26 0.80 117.98 119.43 1v32 s PHE 78 Ca 0.32 -0.35 0.48 0.00 -0.60 0.00 0.00 56.93 56.78 1v32 s PHE 78 Cb 0.01 -2.26 1.64 0.00 0.51 0.00 0.00 43.02 42.92 1v32 s PHE 78 CO 0.18 -0.33 1.47 -2.13 0.70 0.00 0.00 175.22 175.10 1v32 n ARG 79 N 4.95 -0.00 -0.05 0.44 0.63 -1.24 0.17 116.66 121.56 1v32 n ARG 79 Ca -0.16 1.02 -0.16 0.00 -0.92 0.00 0.00 57.85 57.64 1v32 n ARG 79 Cb 0.51 -2.36 -0.13 0.00 0.45 0.00 0.00 32.46 30.93 1v32 n ARG 79 CO 0.00 0.00 0.00 1.98 -2.51 0.00 0.00 177.63 177.10 1v32 h MET 80 N 0.00 0.06 -0.18 -0.14 4.05 -1.92 -3.25 114.93 113.55 1v32 h MET 80 Ca 0.89 -0.10 0.05 0.00 -0.28 0.00 0.00 59.70 60.26 1v32 h MET 80 Cb 3.58 0.04 -0.01 0.00 -0.80 0.00 0.00 31.60 34.41 1v32 h MET 80 CO -0.01 1.05 0.43 0.87 0.23 0.00 0.00 176.91 179.47 1v32 h LYS 81 N -0.88 0.00 -0.98 0.39 1.79 0.13 -1.93 116.57 115.09 1v32 h LYS 81 Ca -0.05 0.00 0.14 0.00 -2.18 0.00 0.00 60.65 58.55 1v32 h LYS 81 Cb 1.15 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.65 1v32 h LYS 81 CO 0.02 0.00 -0.43 0.28 -1.08 0.00 0.00 179.45 178.23 1v32 n VAL 82 N -3.18 -0.56 -0.05 0.50 0.31 -0.39 0.15 118.33 115.11 1v32 n VAL 82 Ca 0.02 2.32 -0.10 0.00 -0.01 0.00 0.00 64.34 66.57 1v32 n VAL 82 Cb 0.52 -3.01 -0.03 0.00 -0.91 0.00 0.00 33.84 30.41 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 -0.94 -0.05 3.52 3.20 -1.58 -1.42 116.97 119.70 1v32 h TYR 83 Ca 0.29 0.05 0.01 0.00 3.14 0.00 0.00 58.73 62.22 1v32 h TYR 83 Cb 0.54 0.45 -0.01 0.00 1.54 0.00 0.00 36.73 39.25 1v32 h TYR 83 CO -0.90 -0.40 -0.02 -0.44 -1.64 0.00 0.00 178.16 174.76 1v32 h ASP 84 N -0.34 -0.07 -0.99 -2.11 3.32 -0.47 -1.95 116.42 113.80 1v32 h ASP 84 Ca 0.13 0.02 0.31 0.00 0.02 0.00 0.00 57.03 57.51 1v32 h ASP 84 Cb 0.55 0.04 -0.18 0.00 0.22 0.00 0.00 39.33 39.96 1v32 h ASP 84 CO -0.44 -0.03 0.18 -0.07 -1.72 0.00 0.00 179.24 177.16 1v32 h LEU 85 N -0.02 -0.24 0.00 1.55 3.38 0.23 -3.36 115.31 116.84 1v32 h LEU 85 Ca 0.03 0.27 0.00 0.00 0.09 0.00 0.00 57.88 58.27 1v32 h LEU 85 Cb 0.06 0.42 0.00 0.00 0.09 0.00 0.00 40.66 41.23 1v32 h LEU 85 CO -0.06 -0.38 0.00 0.18 0.09 0.00 0.00 178.44 178.27 1v32 n LEU 86 N -5.42 0.00 0.00 1.67 4.77 -0.63 -4.38 117.00 113.02 1v32 n LEU 86 Ca 0.28 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1v32 n LEU 86 Cb 0.92 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.01 1v32 n LEU 86 CO -0.04 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.23 1v32 n GLU 87 N 0.00 0.00 0.08 3.23 2.13 -1.26 -3.65 120.64 121.17 1v32 n GLU 87 Ca 0.00 0.00 0.08 0.00 0.66 0.00 0.00 57.16 57.90 1v32 n GLU 87 Cb 0.00 0.00 0.37 0.00 0.27 0.00 0.00 31.44 32.08 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 0.09 -1.15 5.31 4.76 -1.26 -2.27 118.16 123.64 1v32 n LYS 88 Ca 0.00 0.44 -0.24 0.00 -2.87 0.00 0.00 58.31 55.64 1v32 n LYS 88 Cb 0.00 -1.72 0.04 0.00 -1.84 0.00 0.00 35.03 31.51 1v32 n LYS 88 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 1v32 n HIS 89 N -1.90 2.12 -4.04 2.13 8.25 -1.24 -4.88 115.22 115.66 1v32 n HIS 89 Ca 0.01 -2.30 -0.12 0.00 -0.26 0.00 0.00 57.72 55.05 1v32 n HIS 89 Cb 0.12 -1.17 -0.04 0.00 1.12 0.00 0.00 29.99 30.02 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 -2.51 0.76 -0.20 4.41 1.51 -0.96 -3.87 117.35 116.49 1v32 s TYR 90 Ca 0.45 -1.08 -0.08 0.00 -1.01 0.00 0.00 57.07 55.35 1v32 s TYR 90 Cb 0.35 0.08 0.08 0.00 -0.11 0.00 0.00 41.96 42.36 1v32 s TYR 90 CO -0.05 -1.12 0.46 0.21 -1.11 0.00 0.00 175.55 173.93 1v32 s LYS 91 N -3.31 0.39 0.18 -0.62 2.47 0.27 -4.79 119.74 114.33 1v32 s LYS 91 Ca 0.27 1.01 -0.08 0.00 -1.56 0.00 0.00 55.97 55.61 1v32 s LYS 91 Cb -0.01 0.26 -0.01 0.00 -1.46 0.00 0.00 37.83 36.61 1v32 s LYS 91 CO 0.16 -0.21 0.29 -1.21 0.16 0.00 0.00 175.35 174.54 1v32 s GLU 92 N 2.21 1.22 -0.49 4.03 0.41 -1.26 -4.77 118.70 120.05 1v32 s GLU 92 Ca -0.05 -1.25 -0.44 0.00 -0.41 0.00 0.00 54.97 52.82 1v32 s GLU 92 Cb -0.10 0.38 -0.19 0.00 -1.78 0.00 0.00 34.13 32.43 1v32 s GLU 92 CO -0.14 -0.45 2.05 0.09 -0.49 0.00 0.00 175.26 176.32 1v32 n ASN 93 N -0.25 0.89 -4.51 -0.19 4.13 -1.26 -4.79 115.26 109.28 1v32 n ASN 93 Ca -0.05 0.75 -0.42 0.00 1.68 0.00 0.00 54.58 56.54 1v32 n ASN 93 Cb 0.63 -0.91 -0.03 0.00 -1.54 0.00 0.00 39.78 37.92 1v32 n ASN 93 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1v32 s GLN 94 N 5.52 3.19 -0.13 3.52 -1.52 -1.26 -4.97 119.66 124.00 1v32 s GLN 94 Ca 1.17 -0.54 0.01 0.00 -1.95 0.00 0.00 55.36 54.04 1v32 s GLN 94 Cb -1.47 -4.27 0.02 0.00 -0.22 0.00 0.00 33.01 27.07 1v32 s GLN 94 CO 0.68 -2.02 -0.13 0.34 -0.25 0.00 0.00 175.29 173.91 1v32 s ASP 95 N 3.77 2.52 0.10 5.90 -1.08 -1.26 -5.12 116.67 121.50 1v32 s ASP 95 Ca 0.31 -0.44 -0.08 0.00 -0.52 0.00 0.00 52.55 51.82 1v32 s ASP 95 Cb -0.11 -1.09 -0.06 0.00 -1.46 0.00 0.00 42.92 40.20 1v32 s ASP 95 CO 0.11 -0.05 0.39 -0.44 0.52 0.00 0.00 175.17 175.70 1v32 s SER 96 N 1.40 6.58 0.00 -0.34 0.01 -1.26 -5.04 113.70 115.05 1v32 s SER 96 Ca 0.02 0.72 0.00 0.00 1.31 0.00 0.00 55.95 58.00 1v32 s SER 96 Cb -0.13 -2.15 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1v32 s SER 96 CO -0.08 0.13 0.88 0.61 0.41 0.00 0.00 173.24 175.19 1v32 n GLY 97 N 0.62 -2.50 3.77 3.44 0.00 -1.26 -4.96 105.19 104.30 1v32 n GLY 97 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1v32 n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v32 s PRO 98 N -2.56 -0.15 -0.23 1.61 0.04 -1.26 -4.99 135.00 127.46 1v32 s PRO 98 Ca 0.00 -0.20 -0.15 0.00 0.04 0.00 0.00 61.00 60.69 1v32 s PRO 98 Cb 0.00 -1.73 0.02 0.00 0.04 0.00 0.00 34.50 32.83 1v32 s PRO 98 CO 0.00 -2.98 0.28 0.45 0.04 0.00 0.00 177.00 174.80 1v32 n SER 99 N -4.21 -6.48 -3.64 6.66 2.88 -1.26 -5.01 113.62 102.55 1v32 n SER 99 Ca 0.14 0.34 -0.07 0.00 -1.33 0.00 0.00 58.87 57.95 1v32 n SER 99 Cb 0.59 -2.36 -0.07 0.00 -0.75 0.00 0.00 64.21 61.63 1v32 n SER 99 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1v32 s SER 100 N -1.37 -0.95 0.00 -3.46 0.15 -1.26 -5.23 113.70 101.58 1v32 s SER 100 Ca 0.16 1.51 0.00 0.00 0.70 0.00 0.00 55.95 58.31 1v32 s SER 100 Cb -0.02 1.45 0.00 0.00 -1.71 0.00 0.00 66.02 65.74 1v32 s SER 100 CO 0.46 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 175.28