#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 3.48 -0.10 1.61 0.15 -1.26 -5.13 113.70 112.45 1v32 s SER 2 Ca 0.00 -0.54 -0.30 0.00 0.70 0.00 0.00 55.95 55.81 1v32 s SER 2 Cb 0.00 -0.42 0.11 0.00 -1.71 0.00 0.00 66.02 63.99 1v32 s SER 2 CO 0.00 0.24 0.89 -0.55 1.20 0.00 0.00 173.24 175.03 1v32 s SER 3 N -1.46 -0.44 0.00 5.45 0.15 -1.26 -5.15 113.70 110.99 1v32 s SER 3 Ca 0.13 0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1v32 s SER 3 Cb -0.10 0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 1v32 s SER 3 CO 0.04 -0.47 0.00 0.61 1.20 0.00 0.00 173.24 174.62 1v32 n GLY 4 N 0.57 0.13 2.12 9.45 0.00 -1.26 -5.11 105.19 111.09 1v32 n GLY 4 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.24 -3.66 1.61 2.88 -1.26 -5.12 113.62 105.83 1v32 n SER 5 Ca 0.00 0.69 -0.06 0.00 -1.33 0.00 0.00 58.87 58.17 1v32 n SER 5 Cb 0.00 2.20 -0.08 0.00 -0.75 0.00 0.00 64.21 65.58 1v32 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1v32 s SER 6 N -3.47 -0.68 0.00 -3.46 0.01 -1.26 -5.16 113.70 99.69 1v32 s SER 6 Ca 0.00 1.24 0.00 0.00 1.31 0.00 0.00 55.95 58.50 1v32 s SER 6 Cb 0.00 1.60 0.00 0.00 0.21 0.00 0.00 66.02 67.83 1v32 s SER 6 CO 0.00 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.04 1v32 n GLY 7 N 5.13 2.93 3.30 3.44 0.00 -1.26 -5.14 105.19 113.59 1v32 n GLY 7 Ca -0.13 -1.72 -0.27 0.00 0.00 0.00 0.00 46.02 43.89 1v32 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1v32 s LYS 8 N 4.80 1.49 -0.28 1.61 3.01 -1.26 -5.11 119.74 124.00 1v32 s LYS 8 Ca 0.00 -1.07 0.01 0.00 -1.01 0.00 0.00 55.97 53.91 1v32 s LYS 8 Cb 0.00 -1.69 0.08 0.00 -1.01 0.00 0.00 37.83 35.22 1v32 s LYS 8 CO 0.00 0.42 0.01 1.03 0.51 0.00 0.00 175.35 177.33 1v32 s ARG 9 N -1.38 1.34 0.33 1.68 3.00 -1.26 -5.07 118.95 117.59 1v32 s ARG 9 Ca 0.09 -1.25 0.03 0.00 0.00 0.00 0.00 55.73 54.61 1v32 s ARG 9 Cb -0.09 -2.60 -0.04 0.00 0.00 0.00 0.00 34.95 32.22 1v32 s ARG 9 CO 0.03 -0.79 0.12 0.12 0.00 0.00 0.00 175.30 174.78 1v32 s PHE 10 N 1.32 1.71 -0.15 -0.53 5.36 -1.26 -5.09 117.98 119.35 1v32 s PHE 10 Ca 0.03 -1.25 -0.41 0.00 -0.96 0.00 0.00 56.93 54.34 1v32 s PHE 10 Cb -0.18 -1.02 -0.20 0.00 -0.34 0.00 0.00 43.02 41.28 1v32 s PHE 10 CO -0.12 -0.34 1.20 -1.91 -1.46 0.00 0.00 175.22 172.60 1v32 n GLU 11 N -0.68 0.00 -1.61 10.12 2.13 -1.26 -4.38 120.64 124.96 1v32 n GLU 11 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 1v32 n GLU 11 Cb 0.65 -1.47 0.00 0.00 0.27 0.00 0.00 31.44 30.90 1v32 n GLU 11 CO 0.00 0.00 0.00 1.19 -0.41 0.00 0.00 177.13 177.91 1v32 n PHE 12 N 2.21 -4.34 -3.18 4.31 3.01 -1.26 -4.72 117.46 113.48 1v32 n PHE 12 Ca 0.23 2.35 -0.45 0.00 1.01 0.00 0.00 57.45 60.58 1v32 n PHE 12 Cb 0.04 -3.61 -0.04 0.00 -0.01 0.00 0.00 39.48 35.86 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 -5.24 5.00 0.00 -4.37 0.11 -0.92 -4.89 120.40 110.10 1v32 s VAL 13 Ca 0.00 -1.30 0.00 0.00 -2.93 0.00 0.00 61.98 57.75 1v32 s VAL 13 Cb 0.00 -4.45 0.00 0.00 -1.53 0.00 0.00 36.38 30.40 1v32 s VAL 13 CO 0.00 -1.05 0.00 0.61 -3.33 0.00 0.00 175.10 171.33 1v32 n GLY 14 N 5.18 1.78 0.11 6.54 0.00 -1.26 -3.62 105.19 113.92 1v32 n GLY 14 Ca -0.08 -0.58 -0.15 0.00 0.00 0.00 0.00 46.02 45.21 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 6.37 0.00 -3.77 1.61 4.27 -1.26 -4.95 117.44 119.71 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 -0.94 -0.05 0.00 -1.36 0.00 0.00 31.31 28.96 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 -6.10 2.22 0.79 -1.67 0.00 -1.24 0.13 107.32 101.45 1v32 s GLY 16 Ca -0.27 -1.96 -0.12 0.00 0.00 0.00 0.00 44.72 42.37 1v32 s GLY 16 CO 0.62 -1.78 1.13 -0.45 0.00 0.00 0.00 173.10 172.62 1v32 s SER 17 N -4.05 4.63 0.08 1.64 0.15 -1.24 -2.15 113.70 112.76 1v32 s SER 17 Ca 0.45 1.03 -0.26 0.00 0.70 0.00 0.00 55.95 57.87 1v32 s SER 17 Cb -0.01 -1.68 -0.16 0.00 -1.71 0.00 0.00 66.02 62.46 1v32 s SER 17 CO 0.26 -1.85 1.70 -0.09 1.20 0.00 0.00 173.24 174.46 1v32 h ARG 18 N -1.01 -0.28 -0.84 5.44 9.65 -1.95 1.01 114.38 126.40 1v32 h ARG 18 Ca -0.47 0.02 0.21 0.00 -1.10 0.00 0.00 59.98 58.64 1v32 h ARG 18 Cb 1.29 0.06 -0.16 0.00 -1.39 0.00 0.00 29.97 29.78 1v32 h ARG 18 CO 0.63 -0.18 -0.05 1.04 2.80 0.00 0.00 179.97 184.20 1v32 n GLN 19 N -5.21 -0.07 -0.06 0.20 6.02 -1.26 0.10 117.38 117.10 1v32 n GLN 19 Ca -0.09 1.27 -0.03 0.00 -0.01 0.00 0.00 57.00 58.15 1v32 n GLN 19 Cb 0.14 -1.99 -0.01 0.00 1.02 0.00 0.00 30.24 29.40 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 0.00 1.08 5.85 -1.79 -3.24 115.31 117.21 1v32 h LEU 20 Ca 0.48 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.19 1v32 h LEU 20 Cb 0.91 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.94 1v32 h LEU 20 CO -0.81 0.64 0.00 -0.38 -0.34 0.00 0.00 178.44 177.55 1v32 n ILE 21 N -4.69 0.00 -0.25 4.05 2.08 0.35 -0.00 119.36 120.89 1v32 n ILE 21 Ca -0.04 1.42 -0.07 0.00 0.56 0.00 0.00 62.75 64.62 1v32 n ILE 21 Cb 0.14 -1.91 -0.06 0.00 -0.75 0.00 0.00 39.64 37.06 1v32 n ILE 21 CO 0.00 0.00 0.00 1.21 0.56 0.00 0.00 176.55 178.32 1v32 n GLU 22 N -2.71 -0.26 -0.42 0.38 0.00 0.29 0.19 120.64 118.10 1v32 n GLU 22 Ca 0.00 1.25 0.34 0.00 0.00 0.00 0.00 57.16 58.76 1v32 n GLU 22 Cb 0.00 -1.85 0.64 0.00 0.00 0.00 0.00 31.44 30.23 1v32 n GLU 22 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 1v32 h PHE 23 N 0.00 0.44 0.19 4.31 3.04 -1.26 1.31 116.94 124.97 1v32 h PHE 23 Ca 0.09 0.02 -0.31 0.00 3.98 0.00 0.00 57.97 61.75 1v32 h PHE 23 Cb 0.24 -0.11 0.02 0.00 2.56 0.00 0.00 35.95 38.66 1v32 h PHE 23 CO -0.95 -0.09 -1.40 -0.07 -2.02 0.00 0.00 178.31 173.79 1v32 h LEU 24 N 0.15 0.63 -0.34 0.59 3.38 0.58 -3.09 115.31 117.20 1v32 h LEU 24 Ca 0.73 -0.69 0.03 0.00 0.09 0.00 0.00 57.88 58.04 1v32 h LEU 24 Cb 2.35 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 42.87 1v32 h LEU 24 CO -0.29 1.55 0.14 0.45 0.09 0.00 0.00 178.44 180.38 1v32 h HIS 25 N 0.11 0.26 0.39 1.13 3.86 1.08 0.27 115.15 122.26 1v32 h HIS 25 Ca -0.21 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.01 1v32 h HIS 25 Cb 2.08 -0.07 -0.02 0.00 1.06 0.00 0.00 27.41 30.46 1v32 h HIS 25 CO 0.10 0.13 -0.35 0.77 0.86 0.00 0.00 177.93 179.44 1v32 h SER 26 N 0.31 -0.92 -0.32 2.45 0.02 -0.78 0.51 113.55 114.82 1v32 h SER 26 Ca 0.15 0.08 0.09 0.00 -0.84 0.00 0.00 61.79 61.27 1v32 h SER 26 Cb 0.09 0.30 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 1v32 h SER 26 CO -0.13 -0.50 0.56 -0.07 -1.14 0.00 0.00 176.83 175.55 1v32 h LEU 27 N -0.75 0.00 0.00 5.07 3.38 -1.40 -3.43 115.31 118.18 1v32 h LEU 27 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1v32 h LEU 27 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1v32 h LEU 27 CO -0.04 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.10 1v32 n GLY 28 N -1.43 0.94 3.56 0.83 0.00 0.17 -5.01 105.19 104.24 1v32 n GLY 28 Ca 0.06 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.74 3.45 -0.54 1.61 -0.14 0.86 -4.91 119.74 119.32 1v32 s LYS 29 Ca 0.00 -1.02 -0.37 0.00 -1.36 0.00 0.00 55.97 53.22 1v32 s LYS 29 Cb 0.00 -5.32 -0.16 0.00 -1.68 0.00 0.00 37.83 30.67 1v32 s LYS 29 CO 0.00 -2.38 2.29 -0.25 -0.76 0.00 0.00 175.35 174.25 1v32 n ASP 30 N 9.61 1.31 -4.05 2.83 9.92 -1.26 -4.26 116.55 130.65 1v32 n ASP 30 Ca 0.34 0.38 -0.43 0.00 -0.53 0.00 0.00 54.79 54.55 1v32 n ASP 30 Cb 0.50 -1.10 0.00 0.00 -0.64 0.00 0.00 41.12 39.89 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 7.09 4.63 0.00 -3.53 -2.24 -1.26 -4.39 114.28 114.58 1v32 n THR 31 Ca 0.51 -4.98 0.00 0.00 -2.27 0.00 0.00 64.05 57.31 1v32 n THR 31 Cb 0.12 -2.32 0.00 0.00 -2.10 0.00 0.00 70.33 66.03 1v32 n THR 31 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1v32 n SER 32 N 3.35 0.00 0.00 3.42 7.64 -1.26 -4.73 113.62 122.05 1v32 n SER 32 Ca 0.34 0.00 0.09 0.00 1.01 0.00 0.00 58.87 60.31 1v32 n SER 32 Cb 0.37 -0.00 0.52 0.00 -1.01 0.00 0.00 64.21 64.09 1v32 n SER 32 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1v32 n GLU 33 N -2.80 0.99 -2.28 1.43 2.13 -1.26 -4.97 120.64 113.88 1v32 n GLU 33 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1v32 n GLU 33 Cb 0.29 -1.27 0.00 0.00 0.27 0.00 0.00 31.44 30.73 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 -0.77 -5.31 -2.84 5.31 0.00 -1.26 -5.00 117.12 107.25 1v32 n MET 34 Ca 0.13 3.83 -0.25 0.00 -0.00 0.00 0.00 57.70 61.41 1v32 n MET 34 Cb 0.06 -4.62 0.01 0.00 0.00 0.00 0.00 33.22 28.66 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 -0.58 4.49 0.29 1.12 1.01 -1.26 -5.08 121.20 121.19 1v32 s ILE 35 Ca 0.00 -0.15 -0.15 0.00 0.00 0.00 0.00 60.65 60.35 1v32 s ILE 35 Cb 0.00 -3.69 -0.09 0.00 0.01 0.00 0.00 42.46 38.69 1v32 s ILE 35 CO 0.00 -0.59 0.71 -0.44 0.00 0.00 0.00 174.94 174.62 1v32 s SER 36 N -4.16 6.82 0.33 3.58 0.01 -1.26 -4.92 113.70 114.10 1v32 s SER 36 Ca 0.47 1.26 0.06 0.00 1.31 0.00 0.00 55.95 59.05 1v32 s SER 36 Cb -0.10 -2.36 0.71 0.00 0.21 0.00 0.00 66.02 64.47 1v32 s SER 36 CO 0.41 -0.13 1.86 -0.09 0.41 0.00 0.00 173.24 175.70 1v32 h ARG 37 N 2.57 0.80 -0.42 12.44 2.43 -1.97 0.02 114.38 130.23 1v32 h ARG 37 Ca -0.48 -0.05 0.01 0.00 -0.81 0.00 0.00 59.98 58.65 1v32 h ARG 37 Cb 1.18 -0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 1v32 h ARG 37 CO 0.66 0.53 0.27 -0.92 -1.51 0.00 0.00 179.97 178.99 1v32 h TYR 38 N 0.82 0.51 0.46 2.20 5.03 -1.96 0.49 116.97 124.52 1v32 h TYR 38 Ca 0.47 0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.77 1v32 h TYR 38 Cb 0.61 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.73 1v32 h TYR 38 CO -0.00 0.31 -0.22 -0.44 -1.32 0.00 0.00 178.16 176.49 1v32 h ASP 39 N 0.54 -0.52 -0.98 -2.11 3.32 -1.55 0.11 116.42 115.24 1v32 h ASP 39 Ca 0.16 0.02 0.19 0.00 0.02 0.00 0.00 57.03 57.42 1v32 h ASP 39 Cb -0.04 0.14 -0.18 0.00 0.22 0.00 0.00 39.33 39.47 1v32 h ASP 39 CO -0.05 -0.29 -0.26 0.58 -1.72 0.00 0.00 179.24 177.49 1v32 h VAL 40 N -0.78 0.02 0.65 -1.35 2.07 -1.05 0.33 116.25 116.15 1v32 h VAL 40 Ca -0.06 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 1v32 h VAL 40 Cb 0.47 0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1v32 h VAL 40 CO 0.10 0.00 -0.37 -1.28 0.02 0.00 0.00 177.57 176.04 1v32 h SER 41 N -0.00 -0.91 -0.99 0.57 0.87 -0.85 0.75 113.55 112.98 1v32 h SER 41 Ca 0.45 0.04 0.35 0.00 -1.23 0.00 0.00 61.79 61.41 1v32 h SER 41 Cb 0.70 0.26 -0.18 0.00 -0.44 0.00 0.00 62.40 62.74 1v32 h SER 41 CO -1.00 -0.58 0.34 -0.78 -0.53 0.00 0.00 176.83 174.27 1v32 h ASP 42 N -0.95 0.02 -0.26 6.23 1.82 0.16 1.38 116.42 124.83 1v32 h ASP 42 Ca -0.09 0.26 -0.03 0.00 -0.39 0.00 0.00 57.03 56.78 1v32 h ASP 42 Cb 0.75 0.34 -0.01 0.00 0.68 0.00 0.00 39.33 41.09 1v32 h ASP 42 CO 0.11 -0.37 0.05 0.74 -1.61 0.00 0.00 179.24 178.15 1v32 h THR 43 N 0.04 1.23 -0.19 2.25 2.02 0.05 -2.73 112.91 115.58 1v32 h THR 43 Ca 0.73 -0.76 0.05 0.00 0.77 0.00 0.00 66.41 67.21 1v32 h THR 43 Cb 1.78 1.23 -0.07 0.00 -1.74 0.00 0.00 68.15 69.35 1v32 h THR 43 CO -0.81 0.24 -0.30 0.40 0.37 0.00 0.00 175.52 175.42 1v32 h ILE 44 N 0.24 0.30 -0.66 3.11 2.04 0.42 0.26 117.51 123.22 1v32 h ILE 44 Ca 0.08 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.07 1v32 h ILE 44 Cb 0.32 0.30 -0.12 0.00 -0.74 0.00 0.00 36.82 36.58 1v32 h ILE 44 CO 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 178.15 178.00 1v32 h ALA 45 N 0.54 0.45 0.60 1.87 0.00 -1.01 0.44 119.26 122.15 1v32 h ALA 45 Ca 0.11 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 1v32 h ALA 45 Cb 0.53 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 1v32 h ALA 45 CO -0.38 -0.42 -0.42 0.87 0.00 0.00 0.00 179.25 178.90 1v32 h LYS 46 N 0.01 -0.94 -0.79 0.00 1.57 -0.79 -2.33 116.57 113.30 1v32 h LYS 46 Ca 0.32 0.06 0.19 0.00 -1.87 0.00 0.00 60.65 59.35 1v32 h LYS 46 Cb 0.49 0.21 -0.13 0.00 0.08 0.00 0.00 32.23 32.89 1v32 h LYS 46 CO -0.67 -0.63 0.15 -0.92 -0.57 0.00 0.00 179.45 176.81 1v32 h TYR 47 N -0.97 0.20 -0.22 -1.35 3.20 0.10 1.50 116.97 119.43 1v32 h TYR 47 Ca -0.07 0.05 0.05 0.00 3.14 0.00 0.00 58.73 61.90 1v32 h TYR 47 Cb 0.81 0.03 -0.07 0.00 1.54 0.00 0.00 36.73 39.04 1v32 h TYR 47 CO -0.14 -0.17 -0.38 0.82 -1.64 0.00 0.00 178.16 176.65 1v32 h ILE 48 N 0.20 0.19 -0.15 1.81 2.04 0.26 0.45 117.51 122.31 1v32 h ILE 48 Ca 0.46 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.27 1v32 h ILE 48 Cb 0.84 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1v32 h ILE 48 CO -0.60 0.00 -0.10 -1.28 0.00 0.00 0.00 178.15 176.17 1v32 h SER 49 N -0.40 0.35 -0.55 1.72 0.87 -0.46 1.62 113.55 116.70 1v32 h SER 49 Ca 0.11 -0.44 0.07 0.00 -1.23 0.00 0.00 61.79 60.30 1v32 h SER 49 Cb 0.58 -0.10 -0.10 0.00 -0.44 0.00 0.00 62.40 62.35 1v32 h SER 49 CO -0.44 0.71 -0.50 0.50 -0.53 0.00 0.00 176.83 176.57 1v32 h LYS 50 N -0.01 -0.27 -0.23 2.24 1.63 0.27 -0.93 116.57 119.27 1v32 h LYS 50 Ca 0.03 0.02 -0.19 0.00 -0.85 0.00 0.00 60.65 59.66 1v32 h LYS 50 Cb 0.59 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.29 1v32 h LYS 50 CO 0.03 -0.18 -0.58 0.93 -3.45 0.00 0.00 179.45 176.20 1v32 h GLU 51 N -0.28 0.80 0.00 1.90 4.39 -0.14 -3.48 114.58 117.78 1v32 h GLU 51 Ca 0.13 -0.55 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1v32 h GLU 51 Cb 0.56 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1v32 h GLU 51 CO -0.68 1.18 0.00 0.41 -1.16 0.00 0.00 179.01 178.76 1v32 n GLY 52 N 0.48 0.77 0.10 -3.84 0.00 0.24 -5.01 105.19 97.92 1v32 n GLY 52 Ca -0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.09 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 -9.49 0.99 4.07 0.17 -3.47 115.31 107.58 1v32 h LEU 53 Ca 0.00 -0.09 -0.48 0.00 0.08 0.00 0.00 57.88 57.39 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 0.04 -1.44 0.18 -1.08 0.00 0.00 178.44 176.14 1v32 n LEU 54 N -2.34 -2.43 -4.44 1.67 4.77 -1.25 0.19 117.00 113.17 1v32 n LEU 54 Ca 0.04 -0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.70 1v32 n LEU 54 Cb 0.46 -0.88 -0.14 0.00 -2.33 0.00 0.00 43.42 40.53 1v32 n LEU 54 CO 0.34 -3.27 -0.49 -0.62 -1.33 0.00 0.00 177.39 172.02 1v32 s ASP 55 N -1.61 3.75 0.31 -1.43 2.15 -1.25 -4.33 116.67 114.26 1v32 s ASP 55 Ca 0.50 -0.32 0.15 0.00 0.43 0.00 0.00 52.55 53.32 1v32 s ASP 55 Cb -0.09 -0.67 0.38 0.00 -0.30 0.00 0.00 42.92 42.24 1v32 s ASP 55 CO 0.68 0.32 1.59 1.55 -0.17 0.00 0.00 175.17 179.13 1v32 h PRO 56 N 5.15 0.00 0.00 4.34 0.13 -1.96 -2.58 132.00 137.08 1v32 h PRO 56 Ca -0.46 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 1v32 h PRO 56 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 1v32 h PRO 56 CO 0.49 0.52 -0.37 1.03 -0.23 0.00 0.00 178.00 179.44 1v32 h SER 57 N 0.00 0.00 -0.37 1.44 0.87 -2.01 -3.43 113.55 110.06 1v32 h SER 57 Ca -0.01 0.00 0.23 0.00 -1.23 0.00 0.00 61.79 60.78 1v32 h SER 57 Cb 1.15 0.00 -0.21 0.00 -0.44 0.00 0.00 62.40 62.90 1v32 h SER 57 CO 0.07 0.37 0.10 0.21 -0.53 0.00 0.00 176.83 177.04 1v32 s ASN 58 N -6.38 -0.52 0.58 6.23 2.47 -1.11 -5.01 114.94 111.20 1v32 s ASN 58 Ca 0.01 0.31 0.33 0.00 0.42 0.00 0.00 52.86 53.93 1v32 s ASN 58 Cb 0.10 1.43 1.76 0.00 -1.45 0.00 0.00 41.25 43.08 1v32 s ASN 58 CO 0.69 -0.10 2.17 0.11 -3.72 0.00 0.00 177.10 176.25 1v32 h LYS 59 N 7.96 0.00 0.00 0.43 1.57 -1.75 -0.21 116.57 124.58 1v32 h LYS 59 Ca -0.14 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.64 1v32 h LYS 59 Cb 1.17 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.48 1v32 h LYS 59 CO -0.07 0.05 -0.02 0.87 -0.57 0.00 0.00 179.45 179.71 1v32 h LYS 60 N 0.00 0.00 0.00 3.15 1.79 -1.95 -3.43 116.57 116.13 1v32 h LYS 60 Ca -0.00 0.00 -0.44 0.00 -2.18 0.00 0.00 60.65 58.03 1v32 h LYS 60 Cb 0.23 0.00 0.05 0.00 -1.58 0.00 0.00 32.23 30.92 1v32 h LYS 60 CO 0.01 0.02 -0.00 1.63 -1.08 0.00 0.00 179.45 180.03 1v32 n LYS 61 N -3.43 0.38 -3.78 3.15 5.02 -0.09 -1.97 118.16 117.44 1v32 n LYS 61 Ca -0.02 -2.77 -0.13 0.00 -2.02 0.00 0.00 58.31 53.37 1v32 n LYS 61 Cb 0.12 -0.37 -0.13 0.00 -0.02 0.00 0.00 35.03 34.64 1v32 n LYS 61 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1v32 s VAL 62 N -2.53 -0.01 -0.46 -0.18 1.01 0.26 -3.94 120.40 114.54 1v32 s VAL 62 Ca 0.58 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 62.52 1v32 s VAL 62 Cb -0.04 -0.29 0.11 0.00 0.00 0.00 0.00 36.38 36.15 1v32 s VAL 62 CO 0.38 0.02 0.33 -0.69 0.00 0.00 0.00 175.10 175.14 1v32 s VAL 63 N 0.48 4.30 0.48 2.92 1.01 0.49 -0.68 120.40 129.39 1v32 s VAL 63 Ca -0.03 -1.64 -0.23 0.00 0.00 0.00 0.00 61.98 60.08 1v32 s VAL 63 Cb -0.04 -3.76 -0.08 0.00 0.00 0.00 0.00 36.38 32.49 1v32 s VAL 63 CO -0.02 -0.70 1.16 0.00 0.00 0.00 0.00 175.10 175.54 1v32 n ASP 65 N -0.11 0.95 0.19 0.00 2.03 -1.26 -4.87 116.55 113.49 1v32 n ASP 65 Ca 0.09 0.15 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1v32 n ASP 65 Cb 0.42 -0.43 0.00 0.00 -0.72 0.00 0.00 41.12 40.39 1v32 n ASP 65 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1v32 n LYS 66 N -3.42 0.00 -0.02 -0.67 4.76 -1.26 -4.81 118.16 112.74 1v32 n LYS 66 Ca -0.04 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.30 1v32 n LYS 66 Cb 0.16 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.32 1v32 n LYS 66 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1v32 h ARG 67 N 0.00 -0.35 -0.95 1.97 3.08 -1.97 0.83 114.38 116.99 1v32 h ARG 67 Ca 0.00 0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.14 1v32 h ARG 67 Cb 0.00 0.08 -0.07 0.00 0.08 0.00 0.00 29.97 30.06 1v32 h ARG 67 CO 0.00 -0.23 0.60 -0.07 -1.07 0.00 0.00 179.97 179.20 1v32 h LEU 68 N -0.36 0.95 0.77 3.04 3.38 -1.94 0.29 115.31 121.44 1v32 h LEU 68 Ca 0.11 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1v32 h LEU 68 Cb 0.53 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 41.11 1v32 h LEU 68 CO -0.38 0.59 -0.37 0.58 0.09 0.00 0.00 178.44 178.96 1v32 h VAL 69 N 1.08 0.20 0.00 1.22 2.07 -1.21 0.88 116.25 120.49 1v32 h VAL 69 Ca 0.42 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.85 1v32 h VAL 69 Cb 0.20 0.22 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 1v32 h VAL 69 CO -0.18 0.01 0.06 -0.07 0.02 0.00 0.00 177.57 177.40 1v32 h LEU 70 N -1.11 0.00 0.00 2.57 3.38 0.11 1.43 115.31 121.69 1v32 h LEU 70 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1v32 h LEU 70 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1v32 h LEU 70 CO 0.17 0.00 -0.03 0.25 0.09 0.00 0.00 178.44 178.92 1v32 h LEU 71 N 0.00 0.00 0.00 1.67 5.85 0.72 -3.44 115.31 120.11 1v32 h LEU 71 Ca 0.00 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.53 1v32 h LEU 71 Cb 0.12 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1v32 h LEU 71 CO 0.00 0.09 -1.15 0.49 -0.34 0.00 0.00 178.44 177.54 1v32 n PHE 72 N -2.50 0.96 0.00 1.25 3.72 0.29 -4.82 117.46 116.36 1v32 n PHE 72 Ca -0.00 0.41 0.00 0.00 -0.05 0.00 0.00 57.45 57.81 1v32 n PHE 72 Cb 0.02 -1.02 0.00 0.00 -0.94 0.00 0.00 39.48 37.53 1v32 n PHE 72 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1v32 n GLY 73 N 1.47 1.26 3.81 1.37 0.00 0.49 -5.00 105.19 108.58 1v32 n GLY 73 Ca -0.27 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.45 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 4.70 -0.01 2.61 -4.23 -1.26 -4.97 115.64 110.48 1v32 s THR 74 Ca 0.00 -0.76 -0.20 0.00 -1.18 0.00 0.00 61.69 59.55 1v32 s THR 74 Cb 0.00 -3.30 -0.26 0.00 1.34 0.00 0.00 72.50 70.28 1v32 s THR 74 CO 0.00 0.08 1.05 -0.09 -0.54 0.00 0.00 174.62 175.11 1v32 h ARG 75 N 3.05 0.39 -5.13 3.99 9.65 -1.95 -3.40 114.38 120.98 1v32 h ARG 75 Ca -0.47 -0.47 -0.41 0.00 -1.10 0.00 0.00 59.98 57.53 1v32 h ARG 75 Cb 1.17 0.15 -0.25 0.00 -1.39 0.00 0.00 29.97 29.65 1v32 h ARG 75 CO 0.67 1.15 -0.78 0.95 2.80 0.00 0.00 179.97 184.76 1v32 s THR 76 N -2.99 0.97 0.08 0.20 -4.23 -1.26 0.16 115.64 108.57 1v32 s THR 76 Ca -0.13 -0.94 -0.11 0.00 -1.18 0.00 0.00 61.69 59.33 1v32 s THR 76 Cb 0.03 -0.90 0.01 0.00 1.34 0.00 0.00 72.50 72.98 1v32 s THR 76 CO 0.83 -0.03 0.26 0.27 -0.54 0.00 0.00 174.62 175.40 1v32 s ILE 77 N -0.85 0.11 -0.09 2.99 -4.36 0.14 -4.94 121.20 114.21 1v32 s ILE 77 Ca 0.00 -0.92 -0.26 0.00 -0.26 0.00 0.00 60.65 59.21 1v32 s ILE 77 Cb -0.08 -1.18 -0.03 0.00 1.25 0.00 0.00 42.46 42.43 1v32 s ILE 77 CO 0.01 -0.51 0.82 -0.36 0.24 0.00 0.00 174.94 175.14 1v32 s PHE 78 N -3.47 3.54 0.52 1.37 0.40 -1.26 0.89 117.98 119.98 1v32 s PHE 78 Ca 0.02 1.37 0.30 0.00 -0.60 0.00 0.00 56.93 58.01 1v32 s PHE 78 Cb 0.03 -2.96 1.61 0.00 0.51 0.00 0.00 43.02 42.21 1v32 s PHE 78 CO -0.09 -0.05 1.90 -0.09 0.70 0.00 0.00 175.22 177.58 1v32 h ARG 79 N 6.96 0.00 -0.63 0.44 2.43 -1.63 1.33 114.38 123.29 1v32 h ARG 79 Ca -0.37 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.80 1v32 h ARG 79 Cb 1.18 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 1v32 h ARG 79 CO 0.78 0.00 0.00 0.00 -1.51 0.00 0.00 179.97 179.24 1v32 n MET 80 N -2.77 2.48 0.00 0.20 0.00 -1.26 -3.80 117.12 111.97 1v32 n MET 80 Ca -0.02 -2.30 0.02 0.00 0.00 0.00 0.00 57.70 55.40 1v32 n MET 80 Cb 0.30 -1.50 -0.01 0.00 0.00 0.00 0.00 33.22 32.01 1v32 n MET 80 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 1v32 n LYS 81 N 1.37 3.88 0.07 3.17 4.76 0.45 -4.72 118.16 127.15 1v32 n LYS 81 Ca 0.21 -0.23 -0.07 0.00 -2.87 0.00 0.00 58.31 55.35 1v32 n LYS 81 Cb 0.54 -0.81 -0.04 0.00 -1.84 0.00 0.00 35.03 32.88 1v32 n LYS 81 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1v32 h VAL 82 N 0.27 0.00 -0.69 -0.18 2.07 -1.59 1.46 116.25 117.59 1v32 h VAL 82 Ca 0.00 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.63 1v32 h VAL 82 Cb 0.12 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.77 1v32 h VAL 82 CO 0.00 0.00 -0.38 0.22 0.02 0.00 0.00 177.57 177.43 1v32 h TYR 83 N -0.36 -1.08 -0.15 1.57 5.03 -1.84 0.15 116.97 120.28 1v32 h TYR 83 Ca -0.01 0.08 0.03 0.00 2.58 0.00 0.00 58.73 61.41 1v32 h TYR 83 Cb 0.35 0.57 -0.03 0.00 1.55 0.00 0.00 36.73 39.18 1v32 h TYR 83 CO -0.30 -0.40 -0.02 0.22 -1.32 0.00 0.00 178.16 176.34 1v32 h ASP 84 N -0.14 -0.10 -0.92 -2.11 3.58 -1.76 0.69 116.42 115.66 1v32 h ASP 84 Ca 0.24 0.04 0.27 0.00 0.42 0.00 0.00 57.03 58.00 1v32 h ASP 84 Cb 0.56 0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.65 1v32 h ASP 84 CO -0.76 -0.03 0.81 -0.07 -2.88 0.00 0.00 179.24 176.31 1v32 h LEU 85 N 0.02 0.00 -8.31 2.28 3.38 0.47 -3.29 115.31 109.86 1v32 h LEU 85 Ca 0.07 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.41 1v32 h LEU 85 Cb 0.10 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 40.70 1v32 h LEU 85 CO -0.14 0.00 0.49 -0.76 0.09 0.00 0.00 178.44 178.13 1v32 s LEU 86 N -7.64 4.40 0.00 1.67 1.43 0.23 -4.45 118.68 114.33 1v32 s LEU 86 Ca -0.04 -0.85 0.00 0.00 -1.03 0.00 0.00 54.13 52.20 1v32 s LEU 86 Cb 0.19 -2.51 0.00 0.00 0.03 0.00 0.00 46.19 43.90 1v32 s LEU 86 CO 0.65 -1.34 0.00 1.21 0.23 0.00 0.00 176.35 177.10 1v32 n GLU 87 N 7.48 0.00 -0.05 1.70 2.13 -1.24 -4.87 120.64 125.79 1v32 n GLU 87 Ca -0.03 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.90 1v32 n GLU 87 Cb 0.46 -0.02 0.45 0.00 0.27 0.00 0.00 31.44 32.60 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 -2.20 1.49 -1.40 5.31 5.02 -1.26 -3.69 118.16 121.43 1v32 n LYS 88 Ca 0.00 -0.74 -0.29 0.00 -2.02 0.00 0.00 58.31 55.26 1v32 n LYS 88 Cb 0.00 -1.37 0.09 0.00 -0.02 0.00 0.00 35.03 33.73 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 -0.05 2.97 -3.74 2.13 8.25 -1.26 -4.81 115.22 118.71 1v32 n HIS 89 Ca 0.16 -2.62 -0.11 0.00 -0.26 0.00 0.00 57.72 54.89 1v32 n HIS 89 Cb 0.25 -1.11 -0.07 0.00 1.12 0.00 0.00 29.99 30.18 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 -3.67 -0.11 -0.13 4.41 1.51 -1.24 -3.66 117.35 114.47 1v32 s TYR 90 Ca 0.60 -0.08 -0.04 0.00 -1.01 0.00 0.00 57.07 56.54 1v32 s TYR 90 Cb 0.48 0.11 0.05 0.00 -0.11 0.00 0.00 41.96 42.50 1v32 s TYR 90 CO 0.02 -0.55 0.10 0.15 -1.11 0.00 0.00 175.55 174.16 1v32 s LYS 91 N -2.90 0.03 -0.29 -0.62 -0.14 0.35 -4.85 119.74 111.32 1v32 s LYS 91 Ca -0.03 0.14 0.02 0.00 -1.36 0.00 0.00 55.97 54.75 1v32 s LYS 91 Cb 0.00 -1.24 0.08 0.00 -1.68 0.00 0.00 37.83 35.00 1v32 s LYS 91 CO -0.06 -0.54 -0.01 -1.21 -0.76 0.00 0.00 175.35 172.78 1v32 s GLU 92 N 2.18 1.58 -0.72 1.68 0.41 -1.26 -4.75 118.70 117.83 1v32 s GLU 92 Ca 0.03 -1.39 -0.26 0.00 -0.41 0.00 0.00 54.97 52.94 1v32 s GLU 92 Cb -0.14 -2.79 -0.11 0.00 -1.78 0.00 0.00 34.13 29.31 1v32 s GLU 92 CO -0.07 -0.77 2.34 1.21 -0.49 0.00 0.00 175.26 177.48 1v32 s ASN 93 N 1.19 4.20 0.27 -0.19 3.84 -1.26 -4.86 114.94 118.13 1v32 s ASN 93 Ca 0.02 0.24 0.02 0.00 0.21 0.00 0.00 52.86 53.35 1v32 s ASN 93 Cb -0.19 -2.54 -0.05 0.00 -0.55 0.00 0.00 41.25 37.92 1v32 s ASN 93 CO -0.09 -3.46 0.09 -1.10 -2.79 0.00 0.00 177.10 169.75 1v32 s GLN 94 N 8.47 1.46 -0.39 0.43 -0.21 -1.26 -5.12 119.66 123.04 1v32 s GLN 94 Ca 0.90 -1.79 0.04 0.00 0.02 0.00 0.00 55.36 54.53 1v32 s GLN 94 Cb -0.13 -0.35 0.11 0.00 1.00 0.00 0.00 33.01 33.63 1v32 s GLN 94 CO 0.12 -0.28 0.10 0.34 -2.12 0.00 0.00 175.29 173.45 1v32 s ASP 95 N -3.34 4.64 0.17 5.90 -1.08 -1.26 -5.06 116.67 116.64 1v32 s ASP 95 Ca 0.38 -2.37 -0.24 0.00 -0.52 0.00 0.00 52.55 49.80 1v32 s ASP 95 Cb 0.08 -1.62 0.07 0.00 -1.46 0.00 0.00 42.92 39.99 1v32 s ASP 95 CO 0.14 -0.34 0.99 -0.94 0.52 0.00 0.00 175.17 175.54 1v32 s SER 96 N 0.61 -0.09 0.00 -0.34 1.04 -1.26 -5.19 113.70 108.46 1v32 s SER 96 Ca 0.13 -0.54 0.00 0.00 0.48 0.00 0.00 55.95 56.01 1v32 s SER 96 Cb -0.21 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1v32 s SER 96 CO -0.06 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.80 1v32 n GLY 97 N -0.56 -2.80 0.18 7.32 0.00 -1.26 -4.91 105.19 103.16 1v32 n GLY 97 Ca -0.05 -1.31 -0.18 0.00 0.00 0.00 0.00 46.02 44.48 1v32 n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v32 h PRO 98 N 0.00 0.60 -2.57 1.61 0.13 -2.08 -3.52 132.00 126.18 1v32 h PRO 98 Ca 0.00 -0.59 0.29 0.00 -0.87 0.00 0.00 66.00 64.84 1v32 h PRO 98 Cb 0.00 0.15 -0.09 0.00 0.13 0.00 0.00 31.00 31.19 1v32 h PRO 98 CO 0.00 1.20 -0.50 0.43 -0.23 0.00 0.00 178.00 178.90 1v32 n SER 99 N -4.05 -6.52 -2.64 1.44 7.64 -1.26 -4.98 113.62 103.25 1v32 n SER 99 Ca -0.10 0.56 -0.05 0.00 1.01 0.00 0.00 58.87 60.29 1v32 n SER 99 Cb 0.75 -3.62 -0.04 0.00 -1.01 0.00 0.00 64.21 60.29 1v32 n SER 99 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1v32 n SER 100 N -4.32 -1.08 -0.88 6.43 2.88 -1.26 -5.26 113.62 110.13 1v32 n SER 100 Ca -0.01 1.33 0.11 0.00 -1.33 0.00 0.00 58.87 58.97 1v32 n SER 100 Cb 0.63 -5.02 0.09 0.00 -0.75 0.00 0.00 64.21 59.16 1v32 n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42