#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 3.05 -0.27 1.61 0.01 -1.26 -5.13 113.70 111.71 1v32 s SER 2 Ca 0.00 -1.05 -0.05 0.00 1.31 0.00 0.00 55.95 56.17 1v32 s SER 2 Cb 0.00 -0.21 0.01 0.00 0.21 0.00 0.00 66.02 66.03 1v32 s SER 2 CO 0.00 -0.10 0.02 -0.44 0.41 0.00 0.00 173.24 173.12 1v32 s SER 3 N -3.42 4.77 0.00 2.44 0.01 -1.26 -5.01 113.70 111.23 1v32 s SER 3 Ca 0.27 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.80 1v32 s SER 3 Cb -0.02 -1.79 0.00 0.00 0.21 0.00 0.00 66.02 64.42 1v32 s SER 3 CO 0.11 -0.15 0.00 0.61 0.41 0.00 0.00 173.24 174.22 1v32 n GLY 4 N 4.79 -2.49 0.79 3.44 0.00 -1.26 -4.92 105.19 105.53 1v32 n GLY 4 Ca -0.16 -1.60 -0.03 0.00 0.00 0.00 0.00 46.02 44.23 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 -0.87 1.28 -2.83 1.61 2.88 -1.26 -5.10 113.62 109.32 1v32 n SER 5 Ca 0.00 0.18 -0.02 0.00 -1.33 0.00 0.00 58.87 57.70 1v32 n SER 5 Cb 0.00 -0.43 -0.02 0.00 -0.75 0.00 0.00 64.21 63.01 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 -3.73 -4.76 0.00 -3.46 7.64 -1.26 -5.02 113.62 103.03 1v32 n SER 6 Ca -0.05 1.14 0.00 0.00 1.01 0.00 0.00 58.87 60.98 1v32 n SER 6 Cb 0.18 -3.87 0.00 0.00 -1.01 0.00 0.00 64.21 59.51 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 1.62 -1.93 3.65 0.23 0.00 -1.26 -5.13 105.19 102.38 1v32 n GLY 7 Ca -0.17 0.95 -0.43 0.00 0.00 0.00 0.00 46.02 46.38 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 0.00 4.07 -0.26 1.61 1.02 -1.26 -4.97 119.74 119.95 1v32 s LYS 8 Ca 0.00 1.90 -0.19 0.00 0.02 0.00 0.00 55.97 57.70 1v32 s LYS 8 Cb 0.00 -3.95 -0.02 0.00 -0.52 0.00 0.00 37.83 33.34 1v32 s LYS 8 CO 0.00 -0.96 0.57 1.03 -0.92 0.00 0.00 175.35 175.08 1v32 s ARG 9 N 4.12 4.08 0.27 1.68 0.52 -1.26 -5.04 118.95 123.32 1v32 s ARG 9 Ca 0.68 0.43 0.02 0.00 -0.52 0.00 0.00 55.73 56.34 1v32 s ARG 9 Cb -0.28 -3.65 -0.03 0.00 0.52 0.00 0.00 34.95 31.51 1v32 s ARG 9 CO 0.26 -0.39 0.24 0.12 0.02 0.00 0.00 175.30 175.55 1v32 s PHE 10 N 2.42 1.39 0.28 -0.53 5.36 -1.26 -5.12 117.98 120.52 1v32 s PHE 10 Ca 0.24 -1.48 -0.27 0.00 -0.96 0.00 0.00 56.93 54.46 1v32 s PHE 10 Cb -0.16 -0.57 -0.15 0.00 -0.34 0.00 0.00 43.02 41.81 1v32 s PHE 10 CO 0.09 -0.80 0.74 0.39 -1.46 0.00 0.00 175.22 174.18 1v32 n GLU 11 N -0.46 0.71 -1.44 10.12 1.02 -1.26 -4.57 120.64 124.76 1v32 n GLU 11 Ca 0.04 0.25 0.10 0.00 -0.02 0.00 0.00 57.16 57.54 1v32 n GLU 11 Cb 0.64 -1.46 -0.06 0.00 -0.02 0.00 0.00 31.44 30.54 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 -0.05 -3.70 -3.31 -0.32 3.01 -1.26 -4.62 117.46 107.22 1v32 n PHE 12 Ca 0.13 2.03 -0.42 0.00 1.01 0.00 0.00 57.45 60.20 1v32 n PHE 12 Cb 0.31 -3.27 -0.01 0.00 -0.01 0.00 0.00 39.48 36.50 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 -3.67 4.38 0.00 -4.37 3.14 -1.11 -4.90 118.33 111.79 1v32 n VAL 13 Ca -0.06 -5.49 0.00 0.00 -2.96 0.00 0.00 64.34 55.83 1v32 n VAL 13 Cb 0.57 -2.37 0.00 0.00 -1.06 0.00 0.00 33.84 30.97 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 2.11 1.15 0.05 7.55 0.00 -1.26 -4.45 105.19 110.33 1v32 n GLY 14 Ca 0.24 -1.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.20 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 -3.46 1.61 4.27 -1.26 -4.97 117.44 113.63 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 -0.40 -0.00 0.00 -1.36 0.00 0.00 31.31 29.54 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 -4.80 2.09 0.47 -1.67 0.00 -1.26 0.18 107.32 102.33 1v32 s GLY 16 Ca -0.12 -1.77 -0.19 0.00 0.00 0.00 0.00 44.72 42.64 1v32 s GLY 16 CO 0.26 -1.72 0.97 -0.45 0.00 0.00 0.00 173.10 172.16 1v32 s SER 17 N -4.29 6.78 0.22 1.64 0.15 -1.24 -2.76 113.70 114.20 1v32 s SER 17 Ca 0.49 1.65 -0.12 0.00 0.70 0.00 0.00 55.95 58.66 1v32 s SER 17 Cb -0.04 -2.53 0.28 0.00 -1.71 0.00 0.00 66.02 62.02 1v32 s SER 17 CO 0.29 -0.48 1.62 -0.09 1.20 0.00 0.00 173.24 175.79 1v32 h ARG 18 N 1.47 0.01 -0.93 5.44 2.43 -1.94 0.36 114.38 121.21 1v32 h ARG 18 Ca -0.48 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 58.78 1v32 h ARG 18 Cb 1.18 -0.00 -0.12 0.00 -0.42 0.00 0.00 29.97 30.62 1v32 h ARG 18 CO 0.61 0.01 -0.53 1.04 -1.51 0.00 0.00 179.97 179.58 1v32 n GLN 19 N -5.44 -0.39 0.20 0.20 6.02 -1.26 0.17 117.38 116.88 1v32 n GLN 19 Ca 0.09 1.41 -0.12 0.00 -0.01 0.00 0.00 57.00 58.37 1v32 n GLN 19 Cb 0.36 -2.07 -0.06 0.00 1.02 0.00 0.00 30.24 29.48 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 -0.48 0.00 1.08 5.85 -1.52 -2.38 115.31 117.86 1v32 h LEU 20 Ca 0.16 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1v32 h LEU 20 Cb 0.40 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1v32 h LEU 20 CO -0.88 -0.06 0.00 -0.38 -0.34 0.00 0.00 178.44 176.78 1v32 n ILE 21 N -5.17 0.00 -0.41 4.05 2.08 0.11 0.57 119.36 120.59 1v32 n ILE 21 Ca -0.09 1.37 -0.11 0.00 0.56 0.00 0.00 62.75 64.48 1v32 n ILE 21 Cb 0.28 -1.89 -0.10 0.00 -0.75 0.00 0.00 39.64 37.18 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 -2.41 -0.43 -0.35 0.38 0.00 0.46 0.17 120.64 118.46 1v32 n GLU 22 Ca 0.00 1.49 0.25 0.00 0.00 0.00 0.00 57.16 58.90 1v32 n GLU 22 Cb 0.00 -2.19 0.53 0.00 0.00 0.00 0.00 31.44 29.78 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 0.67 0.11 4.31 3.04 -0.69 0.78 116.94 125.15 1v32 h PHE 23 Ca 0.15 0.02 -0.27 0.00 3.98 0.00 0.00 57.97 61.86 1v32 h PHE 23 Cb 0.40 -0.19 0.01 0.00 2.56 0.00 0.00 35.95 38.73 1v32 h PHE 23 CO -1.02 -0.01 -1.20 -0.07 -2.02 0.00 0.00 178.31 173.99 1v32 h LEU 24 N 0.34 0.57 0.15 0.59 3.38 0.71 -3.10 115.31 117.95 1v32 h LEU 24 Ca 0.65 -0.55 0.02 0.00 0.09 0.00 0.00 57.88 58.08 1v32 h LEU 24 Cb 1.72 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.26 1v32 h LEU 24 CO -0.35 1.40 -0.28 0.45 0.09 0.00 0.00 178.44 179.75 1v32 h HIS 25 N 0.15 -0.76 0.19 1.13 3.86 0.80 0.24 115.15 120.76 1v32 h HIS 25 Ca -0.14 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.09 1v32 h HIS 25 Cb 1.89 0.32 -0.04 0.00 1.06 0.00 0.00 27.41 30.64 1v32 h HIS 25 CO 0.08 -0.39 -0.46 0.77 0.86 0.00 0.00 177.93 178.79 1v32 h SER 26 N -0.51 -1.35 -1.72 2.45 0.02 -1.09 0.19 113.55 111.54 1v32 h SER 26 Ca 0.02 0.13 0.50 0.00 -0.84 0.00 0.00 61.79 61.61 1v32 h SER 26 Cb 0.53 0.49 -0.07 0.00 0.14 0.00 0.00 62.40 63.49 1v32 h SER 26 CO -0.15 -0.51 1.31 -0.07 -1.14 0.00 0.00 176.83 176.27 1v32 h LEU 27 N -0.72 0.00 0.00 5.07 3.38 -1.43 -3.42 115.31 118.19 1v32 h LEU 27 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1v32 h LEU 27 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1v32 h LEU 27 CO -0.20 0.00 0.00 0.61 0.09 0.00 0.00 178.44 178.94 1v32 n GLY 28 N -1.87 1.12 3.77 0.83 0.00 0.67 -5.09 105.19 104.63 1v32 n GLY 28 Ca 0.38 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 46.04 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 3.63 -0.40 1.61 -0.14 0.76 -4.98 119.74 119.49 1v32 s LYS 29 Ca 0.00 1.68 -0.19 0.00 -1.36 0.00 0.00 55.97 56.09 1v32 s LYS 29 Cb 0.00 -2.25 0.01 0.00 -1.68 0.00 0.00 37.83 33.92 1v32 s LYS 29 CO 0.00 -0.63 0.58 0.34 -0.76 0.00 0.00 175.35 174.87 1v32 s ASP 30 N -1.56 6.32 -0.48 2.83 -1.08 -1.26 -4.29 116.67 117.15 1v32 s ASP 30 Ca 0.67 -0.24 -0.13 0.00 -0.52 0.00 0.00 52.55 52.34 1v32 s ASP 30 Cb -0.26 -2.29 0.11 0.00 -1.46 0.00 0.00 42.92 39.02 1v32 s ASP 30 CO 0.31 -0.64 0.39 0.42 0.52 0.00 0.00 175.17 176.16 1v32 s THR 31 N 2.59 4.74 0.03 1.71 -4.23 -1.26 -4.56 115.64 114.65 1v32 s THR 31 Ca 0.20 -1.48 0.00 0.00 -1.18 0.00 0.00 61.69 59.23 1v32 s THR 31 Cb -0.15 -3.99 0.00 0.00 1.34 0.00 0.00 72.50 69.70 1v32 s THR 31 CO 0.16 -0.72 0.00 -0.24 -0.54 0.00 0.00 174.62 173.28 1v32 n SER 32 N 5.08 -0.24 0.00 3.99 2.88 -1.26 -4.91 113.62 119.16 1v32 n SER 32 Ca -0.11 0.10 0.08 0.00 -1.33 0.00 0.00 58.87 57.61 1v32 n SER 32 Cb 0.41 0.42 0.47 0.00 -0.75 0.00 0.00 64.21 64.77 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 -2.33 0.97 -2.57 -1.46 2.13 -1.26 -4.95 120.64 111.17 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 -1.26 -0.04 0.00 0.27 0.00 0.00 31.44 30.42 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 -0.76 -4.56 -2.93 5.31 0.00 -1.26 -4.96 117.12 107.96 1v32 n MET 34 Ca 0.12 3.41 -0.33 0.00 -0.00 0.00 0.00 57.70 60.90 1v32 n MET 34 Cb 0.05 -4.77 -0.06 0.00 0.00 0.00 0.00 33.22 28.44 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 -0.61 4.51 0.40 1.12 1.01 -1.26 -5.03 121.20 121.35 1v32 s ILE 35 Ca -0.22 1.25 -0.25 0.00 0.00 0.00 0.00 60.65 61.43 1v32 s ILE 35 Cb 0.01 -3.61 -0.08 0.00 0.01 0.00 0.00 42.46 38.79 1v32 s ILE 35 CO 0.59 -0.29 1.18 -0.44 0.00 0.00 0.00 174.94 175.99 1v32 s SER 36 N -2.27 6.48 0.11 3.58 0.01 -1.26 -4.87 113.70 115.48 1v32 s SER 36 Ca 0.59 2.37 -0.29 0.00 1.31 0.00 0.00 55.95 59.93 1v32 s SER 36 Cb -0.10 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.43 1v32 s SER 36 CO 0.16 -0.71 1.61 -0.09 0.41 0.00 0.00 173.24 174.62 1v32 h ARG 37 N 2.61 -0.57 -0.92 12.44 2.43 -1.96 -0.44 114.38 127.96 1v32 h ARG 37 Ca -0.49 0.04 0.27 0.00 -0.81 0.00 0.00 59.98 58.99 1v32 h ARG 37 Cb 1.24 0.13 -0.15 0.00 -0.42 0.00 0.00 29.97 30.76 1v32 h ARG 37 CO 0.62 -0.38 0.29 -0.92 -1.51 0.00 0.00 179.97 178.08 1v32 h TYR 38 N -0.59 0.44 0.79 2.20 5.03 -1.92 0.85 116.97 123.77 1v32 h TYR 38 Ca 0.02 0.05 -0.04 0.00 2.58 0.00 0.00 58.73 61.34 1v32 h TYR 38 Cb 0.61 -0.04 0.01 0.00 1.55 0.00 0.00 36.73 38.85 1v32 h TYR 38 CO -0.30 -0.25 -0.38 -0.44 -1.32 0.00 0.00 178.16 175.47 1v32 h ASP 39 N 0.19 -0.90 -0.94 -2.11 3.32 -1.69 -2.58 116.42 111.71 1v32 h ASP 39 Ca 0.61 0.03 0.16 0.00 0.02 0.00 0.00 57.03 57.84 1v32 h ASP 39 Cb 1.31 0.23 -0.16 0.00 0.22 0.00 0.00 39.33 40.93 1v32 h ASP 39 CO -0.69 -0.54 -0.35 0.58 -1.72 0.00 0.00 179.24 176.52 1v32 h VAL 40 N -1.26 0.03 -0.36 -1.35 2.07 0.57 0.34 116.25 116.29 1v32 h VAL 40 Ca -0.11 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.47 1v32 h VAL 40 Cb 0.82 0.03 -0.08 0.00 -1.52 0.00 0.00 31.29 30.54 1v32 h VAL 40 CO 0.18 0.00 -0.47 0.77 0.02 0.00 0.00 177.57 178.06 1v32 h SER 41 N -0.02 -1.56 -0.69 0.57 4.64 -0.84 0.17 113.55 115.82 1v32 h SER 41 Ca 0.36 0.22 0.14 0.00 -0.47 0.00 0.00 61.79 62.04 1v32 h SER 41 Cb 0.62 0.66 -0.13 0.00 -0.31 0.00 0.00 62.40 63.24 1v32 h SER 41 CO -0.96 -0.40 -0.19 -0.78 -0.87 0.00 0.00 176.83 173.64 1v32 h ASP 42 N -0.39 -0.70 -0.92 4.97 3.58 0.04 0.87 116.42 123.88 1v32 h ASP 42 Ca 0.11 0.21 0.09 0.00 0.42 0.00 0.00 57.03 57.86 1v32 h ASP 42 Cb 0.60 0.45 -0.07 0.00 1.72 0.00 0.00 39.33 42.03 1v32 h ASP 42 CO -0.55 -0.24 0.59 0.74 -2.88 0.00 0.00 179.24 176.90 1v32 h THR 43 N -0.02 0.99 -0.11 2.25 2.02 0.38 0.51 112.91 118.94 1v32 h THR 43 Ca 0.32 -0.33 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1v32 h THR 43 Cb 0.51 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 1v32 h THR 43 CO -0.71 0.17 -0.00 0.40 0.37 0.00 0.00 175.52 175.75 1v32 h ILE 44 N 0.95 1.26 -0.55 3.11 2.04 0.32 0.30 117.51 124.94 1v32 h ILE 44 Ca 0.42 -0.83 -0.01 0.00 1.00 0.00 0.00 64.86 65.44 1v32 h ILE 44 Cb 0.36 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 38.02 1v32 h ILE 44 CO -0.18 0.24 0.29 0.00 0.00 0.00 0.00 178.15 178.50 1v32 h ALA 45 N 0.73 1.48 -0.07 1.87 0.00 0.73 0.76 119.26 124.77 1v32 h ALA 45 Ca 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1v32 h ALA 45 Cb 0.37 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1v32 h ALA 45 CO 0.01 0.43 -0.04 -0.22 0.00 0.00 0.00 179.25 179.42 1v32 h LYS 46 N 0.76 0.14 -0.61 0.00 3.64 0.27 -2.64 116.57 118.14 1v32 h LYS 46 Ca 0.20 -0.07 0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1v32 h LYS 46 Cb 0.04 -0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 31.80 1v32 h LYS 46 CO -0.03 0.54 0.33 -0.92 -2.27 0.00 0.00 179.45 177.09 1v32 h TYR 47 N -0.25 0.61 -0.18 1.91 3.20 0.12 1.17 116.97 123.55 1v32 h TYR 47 Ca 0.01 0.02 0.05 0.00 3.14 0.00 0.00 58.73 61.96 1v32 h TYR 47 Cb 0.50 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.53 1v32 h TYR 47 CO 0.07 0.29 -0.18 0.82 -1.64 0.00 0.00 178.16 177.53 1v32 h ILE 48 N 0.62 0.53 -0.05 1.81 2.04 -0.82 0.17 117.51 121.81 1v32 h ILE 48 Ca 0.27 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 66.12 1v32 h ILE 48 Cb 0.16 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 36.76 1v32 h ILE 48 CO -0.17 0.00 -0.02 0.28 0.00 0.00 0.00 178.15 178.24 1v32 h SER 49 N -0.20 0.10 -0.43 1.72 0.02 -1.03 1.62 113.55 115.35 1v32 h SER 49 Ca 0.11 -0.41 0.04 0.00 -0.84 0.00 0.00 61.79 60.70 1v32 h SER 49 Cb 0.37 -0.03 -0.07 0.00 0.14 0.00 0.00 62.40 62.82 1v32 h SER 49 CO -0.30 0.48 -0.42 0.50 -1.14 0.00 0.00 176.83 175.96 1v32 h LYS 50 N -0.29 -0.20 0.08 3.45 3.11 0.18 -2.45 116.57 120.44 1v32 h LYS 50 Ca 0.01 0.01 -0.00 0.00 -2.81 0.00 0.00 60.65 57.86 1v32 h LYS 50 Cb 0.45 0.05 0.00 0.00 -1.00 0.00 0.00 32.23 31.72 1v32 h LYS 50 CO 0.01 -0.13 -0.04 0.93 -2.81 0.00 0.00 179.45 177.40 1v32 h GLU 51 N -0.21 -0.10 0.00 1.90 4.39 -0.71 -3.48 114.58 116.37 1v32 h GLU 51 Ca 0.07 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.78 1v32 h GLU 51 Cb 0.40 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1v32 h GLU 51 CO -0.51 0.31 0.00 0.41 -1.16 0.00 0.00 179.01 178.06 1v32 n GLY 52 N 0.07 0.97 0.10 -3.84 0.00 0.34 -5.02 105.19 97.81 1v32 n GLY 52 Ca -0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.06 1v32 n GLY 52 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1v32 n LEU 53 N 0.00 0.81 -4.16 0.99 4.32 0.47 -4.88 117.00 114.55 1v32 n LEU 53 Ca 0.00 0.54 -0.35 0.00 -0.02 0.00 0.00 56.01 56.18 1v32 n LEU 53 Cb 0.00 -0.30 0.11 0.00 -1.62 0.00 0.00 43.42 41.60 1v32 n LEU 53 CO 0.00 -0.17 -1.19 0.18 -1.22 0.00 0.00 177.39 174.99 1v32 n LEU 54 N -2.25 -2.68 -4.42 2.23 4.77 -1.24 0.14 117.00 113.55 1v32 n LEU 54 Ca 0.05 -0.04 -0.32 0.00 -0.03 0.00 0.00 56.01 55.68 1v32 n LEU 54 Cb 0.43 -0.78 -0.14 0.00 -2.33 0.00 0.00 43.42 40.60 1v32 n LEU 54 CO 0.31 -3.05 -0.50 -0.62 -1.33 0.00 0.00 177.39 172.20 1v32 s ASP 55 N -1.48 3.67 0.17 -1.43 2.15 -1.26 -4.30 116.67 114.21 1v32 s ASP 55 Ca 0.47 -0.33 0.02 0.00 0.43 0.00 0.00 52.55 53.14 1v32 s ASP 55 Cb -0.04 -0.64 0.04 0.00 -0.30 0.00 0.00 42.92 41.98 1v32 s ASP 55 CO 0.67 0.32 1.41 1.55 -0.17 0.00 0.00 175.17 178.95 1v32 h PRO 56 N 5.22 0.25 0.00 4.34 0.13 -1.97 -1.66 132.00 138.32 1v32 h PRO 56 Ca -0.46 -0.25 -0.04 0.00 -0.87 0.00 0.00 66.00 64.38 1v32 h PRO 56 Cb 1.14 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 1v32 h PRO 56 CO 0.49 0.94 -0.21 1.03 -0.23 0.00 0.00 178.00 180.02 1v32 h SER 57 N 0.16 0.00 -0.27 1.44 0.87 -2.02 -3.41 113.55 110.31 1v32 h SER 57 Ca -0.04 0.00 0.23 0.00 -1.23 0.00 0.00 61.79 60.75 1v32 h SER 57 Cb 1.42 0.00 -0.20 0.00 -0.44 0.00 0.00 62.40 63.18 1v32 h SER 57 CO 0.13 0.21 0.06 0.21 -0.53 0.00 0.00 176.83 176.90 1v32 s ASN 58 N -6.25 -0.42 0.41 6.23 2.47 -1.14 -5.02 114.94 111.22 1v32 s ASN 58 Ca -0.01 0.13 0.09 0.00 0.42 0.00 0.00 52.86 53.49 1v32 s ASN 58 Cb 0.12 1.30 0.89 0.00 -1.45 0.00 0.00 41.25 42.11 1v32 s ASN 58 CO 0.63 -0.08 2.02 0.11 -3.72 0.00 0.00 177.10 176.05 1v32 h LYS 59 N 7.58 0.53 -0.55 0.43 6.56 -1.56 0.86 116.57 130.42 1v32 h LYS 59 Ca -0.11 -0.03 0.16 0.00 -1.06 0.00 0.00 60.65 59.61 1v32 h LYS 59 Cb 1.18 -0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 32.69 1v32 h LYS 59 CO -0.10 0.35 0.67 0.87 -2.06 0.00 0.00 179.45 179.17 1v32 h LYS 60 N 0.54 0.00 0.00 3.15 1.79 -1.95 -3.40 116.57 116.70 1v32 h LYS 60 Ca 0.22 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.69 1v32 h LYS 60 Cb 0.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1v32 h LYS 60 CO -0.06 0.00 0.00 1.63 -1.08 0.00 0.00 179.45 179.94 1v32 n LYS 61 N -3.48 0.72 -3.71 3.15 5.02 0.30 -3.25 118.16 116.90 1v32 n LYS 61 Ca 0.11 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.26 1v32 n LYS 61 Cb 0.87 0.00 -0.09 0.00 -0.02 0.00 0.00 35.03 35.79 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 0.37 0.02 -0.37 -0.18 1.01 0.84 -4.14 120.40 117.96 1v32 s VAL 62 Ca 0.00 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.80 1v32 s VAL 62 Cb 0.00 -0.67 0.10 0.00 0.00 0.00 0.00 36.38 35.81 1v32 s VAL 62 CO 0.00 -0.10 0.12 -0.69 0.00 0.00 0.00 175.10 174.43 1v32 s VAL 63 N -0.55 2.87 0.48 2.92 1.01 0.38 -1.55 120.40 125.97 1v32 s VAL 63 Ca -0.07 -2.08 -0.23 0.00 0.00 0.00 0.00 61.98 59.61 1v32 s VAL 63 Cb -0.03 -2.98 -0.08 0.00 0.00 0.00 0.00 36.38 33.29 1v32 s VAL 63 CO 0.03 -0.58 1.09 0.00 0.00 0.00 0.00 175.10 175.64 1v32 n ASP 65 N -0.05 0.53 0.11 0.00 -0.08 -1.26 -4.89 116.55 110.91 1v32 n ASP 65 Ca 0.10 0.09 0.00 0.00 -1.51 0.00 0.00 54.79 53.46 1v32 n ASP 65 Cb 0.42 -0.43 0.00 0.00 2.34 0.00 0.00 41.12 43.45 1v32 n ASP 65 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1v32 n LYS 66 N -3.02 0.00 -0.11 -0.67 5.02 -1.26 -4.81 118.16 113.30 1v32 n LYS 66 Ca -0.03 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.16 1v32 n LYS 66 Cb 0.11 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.08 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 -0.32 -0.79 1.97 3.08 -1.97 0.89 114.38 117.24 1v32 h ARG 67 Ca 0.00 0.02 0.13 0.00 0.07 0.00 0.00 59.98 60.21 1v32 h ARG 67 Cb 0.00 0.07 -0.09 0.00 0.08 0.00 0.00 29.97 30.03 1v32 h ARG 67 CO 0.00 -0.21 0.37 -0.07 -1.07 0.00 0.00 179.97 178.98 1v32 h LEU 68 N -0.33 0.42 0.54 3.04 3.38 -1.95 0.44 115.31 120.84 1v32 h LEU 68 Ca 0.14 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1v32 h LEU 68 Cb 0.58 0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.37 1v32 h LEU 68 CO -0.55 0.18 -0.26 0.58 0.09 0.00 0.00 178.44 178.48 1v32 h VAL 69 N 0.55 0.45 0.00 1.22 2.07 -0.84 0.68 116.25 120.38 1v32 h VAL 69 Ca 0.42 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.83 1v32 h VAL 69 Cb 0.59 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1v32 h VAL 69 CO -0.36 0.02 0.08 -0.07 0.02 0.00 0.00 177.57 177.26 1v32 h LEU 70 N -0.80 0.00 0.00 2.57 4.07 0.17 1.43 115.31 122.75 1v32 h LEU 70 Ca -0.07 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.89 1v32 h LEU 70 Cb 0.59 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.33 1v32 h LEU 70 CO 0.12 0.00 0.00 -0.11 -1.08 0.00 0.00 178.44 177.37 1v32 n LEU 71 N -2.59 0.02 -0.08 1.67 7.94 0.14 -4.76 117.00 119.35 1v32 n LEU 71 Ca -0.02 0.34 -0.13 0.00 -1.11 0.00 0.00 56.01 55.09 1v32 n LEU 71 Cb 0.12 -0.50 -0.09 0.00 0.53 0.00 0.00 43.42 43.49 1v32 n LEU 71 CO 0.13 -0.50 -0.08 -0.26 -1.11 0.00 0.00 177.39 175.58 1v32 h PHE 72 N 0.00 0.00 0.00 1.96 0.04 0.51 -3.47 116.94 115.98 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 0.85 0.00 0.41 -0.60 0.00 0.00 178.31 178.97 1v32 n GLY 73 N 1.58 1.36 3.82 -1.45 0.00 0.49 -5.01 105.19 105.97 1v32 n GLY 73 Ca -0.15 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.65 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 2.80 -0.21 2.61 -4.23 -1.26 -4.99 115.64 108.35 1v32 s THR 74 Ca 0.00 -1.49 -0.15 0.00 -1.18 0.00 0.00 61.69 58.88 1v32 s THR 74 Cb 0.00 -3.03 -0.19 0.00 1.34 0.00 0.00 72.50 70.63 1v32 s THR 74 CO 0.00 -0.06 0.06 -1.14 -0.54 0.00 0.00 174.62 172.93 1v32 n ARG 75 N -1.38 0.62 -4.62 3.99 3.00 -1.26 -4.33 116.66 112.68 1v32 n ARG 75 Ca 0.00 0.40 -0.26 0.00 -0.00 0.00 0.00 57.85 57.99 1v32 n ARG 75 Cb 0.62 -1.65 -0.14 0.00 0.00 0.00 0.00 32.46 31.29 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 -2.45 1.70 0.11 5.15 -4.23 -1.26 0.19 115.64 114.84 1v32 s THR 76 Ca -0.31 -1.25 -0.11 0.00 -1.18 0.00 0.00 61.69 58.85 1v32 s THR 76 Cb 0.09 -1.49 0.01 0.00 1.34 0.00 0.00 72.50 72.45 1v32 s THR 76 CO 0.60 0.19 0.26 0.27 -0.54 0.00 0.00 174.62 175.40 1v32 s ILE 77 N -0.84 0.11 -0.32 2.99 -4.36 -0.59 -4.94 121.20 113.25 1v32 s ILE 77 Ca 0.08 -1.03 -0.22 0.00 -0.26 0.00 0.00 60.65 59.22 1v32 s ILE 77 Cb -0.09 -1.35 -0.00 0.00 1.25 0.00 0.00 42.46 42.27 1v32 s ILE 77 CO 0.02 -0.52 0.70 -0.36 0.24 0.00 0.00 174.94 175.02 1v32 s PHE 78 N -3.86 3.19 0.53 1.37 0.40 -1.26 -0.11 117.98 118.25 1v32 s PHE 78 Ca 0.06 0.62 0.48 0.00 -0.60 0.00 0.00 56.93 57.49 1v32 s PHE 78 Cb 0.04 -3.13 1.64 0.00 0.51 0.00 0.00 43.02 42.08 1v32 s PHE 78 CO -0.10 -0.55 1.49 -2.13 0.70 0.00 0.00 175.22 174.62 1v32 n ARG 79 N 6.07 0.00 -0.02 0.44 0.63 -1.20 0.57 116.66 123.14 1v32 n ARG 79 Ca 0.01 1.04 -0.05 0.00 -0.92 0.00 0.00 57.85 57.92 1v32 n ARG 79 Cb 0.48 -2.40 -0.04 0.00 0.45 0.00 0.00 32.46 30.95 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 -0.07 -0.68 -0.14 4.05 -1.91 -3.25 114.93 112.94 1v32 h MET 80 Ca 0.89 0.00 0.20 0.00 -0.28 0.00 0.00 59.70 60.51 1v32 h MET 80 Cb 3.61 0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 34.40 1v32 h MET 80 CO -0.01 0.24 0.78 0.87 0.23 0.00 0.00 176.91 179.03 1v32 h LYS 81 N -1.00 0.00 -0.93 0.39 1.79 -0.27 -0.72 116.57 115.83 1v32 h LYS 81 Ca -0.01 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.57 1v32 h LYS 81 Cb 0.34 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 30.86 1v32 h LYS 81 CO 0.01 0.00 -0.51 0.28 -1.08 0.00 0.00 179.45 178.15 1v32 h VAL 82 N 0.00 0.01 -0.70 0.50 2.07 -1.15 1.66 116.25 118.64 1v32 h VAL 82 Ca 0.32 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.99 1v32 h VAL 82 Cb 1.89 0.01 -0.11 0.00 -1.52 0.00 0.00 31.29 31.56 1v32 h VAL 82 CO -0.00 0.00 0.13 0.22 0.02 0.00 0.00 177.57 177.93 1v32 h TYR 83 N -0.04 0.18 0.21 1.57 3.20 -1.33 -0.62 116.97 120.14 1v32 h TYR 83 Ca 0.21 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.12 1v32 h TYR 83 Cb 0.49 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.79 1v32 h TYR 83 CO -0.94 -0.10 -0.10 0.22 -1.64 0.00 0.00 178.16 175.59 1v32 h ASP 84 N 0.23 -0.24 -0.99 -2.11 1.82 0.21 -2.96 116.42 112.37 1v32 h ASP 84 Ca 0.38 -0.22 0.31 0.00 -0.39 0.00 0.00 57.03 57.12 1v32 h ASP 84 Cb 0.64 0.06 -0.18 0.00 0.68 0.00 0.00 39.33 40.53 1v32 h ASP 84 CO -0.51 0.11 0.16 -0.07 -1.61 0.00 0.00 179.24 177.32 1v32 h LEU 85 N -0.61 -0.27 -8.33 2.28 3.38 0.31 -3.23 115.31 108.84 1v32 h LEU 85 Ca -0.03 0.28 -0.37 0.00 0.09 0.00 0.00 57.88 57.84 1v32 h LEU 85 Cb 0.44 0.43 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1v32 h LEU 85 CO 0.05 -0.38 0.97 -0.76 0.09 0.00 0.00 178.44 178.42 1v32 s LEU 86 N -10.87 3.22 0.00 1.67 1.43 -0.34 -4.10 118.68 109.69 1v32 s LEU 86 Ca -0.12 -0.30 0.00 0.00 -1.03 0.00 0.00 54.13 52.68 1v32 s LEU 86 Cb 0.30 -2.55 0.00 0.00 0.03 0.00 0.00 46.19 43.98 1v32 s LEU 86 CO 0.78 -2.59 0.00 1.21 0.23 0.00 0.00 176.35 175.97 1v32 n GLU 87 N 8.98 0.00 -0.01 1.70 4.07 -1.22 -4.85 120.64 129.31 1v32 n GLU 87 Ca 0.32 0.00 0.13 0.00 -0.06 0.00 0.00 57.16 57.55 1v32 n GLU 87 Cb 0.49 -0.09 0.66 0.00 -0.06 0.00 0.00 31.44 32.43 1v32 n GLU 87 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1v32 n LYS 88 N -2.07 1.27 -1.54 5.31 5.02 -1.26 -3.53 118.16 121.37 1v32 n LYS 88 Ca 0.00 -0.40 -0.30 0.00 -2.02 0.00 0.00 58.31 55.59 1v32 n LYS 88 Cb 0.00 -1.42 0.07 0.00 -0.02 0.00 0.00 35.03 33.65 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 -0.46 3.02 -3.72 2.13 8.25 -1.26 -4.72 115.22 118.46 1v32 n HIS 89 Ca 0.19 -2.71 -0.13 0.00 -0.26 0.00 0.00 57.72 54.81 1v32 n HIS 89 Cb 0.19 -1.06 -0.08 0.00 1.12 0.00 0.00 29.99 30.16 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 -3.73 -0.22 -0.15 4.41 1.51 -1.23 -3.65 117.35 114.30 1v32 s TYR 90 Ca 0.60 0.26 -0.04 0.00 -1.01 0.00 0.00 57.07 56.88 1v32 s TYR 90 Cb 0.47 0.14 0.07 0.00 -0.11 0.00 0.00 41.96 42.54 1v32 s TYR 90 CO 0.01 -0.46 0.25 0.15 -1.11 0.00 0.00 175.55 174.39 1v32 s LYS 91 N -1.78 0.16 -1.03 -0.62 -0.14 0.49 -4.86 119.74 111.95 1v32 s LYS 91 Ca -0.10 0.61 -0.12 0.00 -1.36 0.00 0.00 55.97 55.00 1v32 s LYS 91 Cb -0.03 -0.31 0.23 0.00 -1.68 0.00 0.00 37.83 36.03 1v32 s LYS 91 CO 0.02 -0.38 1.07 -1.21 -0.76 0.00 0.00 175.35 174.09 1v32 s GLU 92 N 2.40 3.95 -0.56 1.68 2.02 -1.26 -4.70 118.70 122.23 1v32 s GLU 92 Ca 0.03 -2.73 -0.32 0.00 0.02 0.00 0.00 54.97 51.98 1v32 s GLU 92 Cb -0.13 -4.65 -0.13 0.00 0.10 0.00 0.00 34.13 29.32 1v32 s GLU 92 CO -0.09 -1.41 2.38 -1.71 0.02 0.00 0.00 175.26 174.45 1v32 n ASN 93 N 4.02 1.69 -3.84 -0.19 2.85 -1.26 -4.85 115.26 113.69 1v32 n ASN 93 Ca 0.23 0.09 -0.28 0.00 -0.11 0.00 0.00 54.58 54.51 1v32 n ASN 93 Cb 0.43 -1.26 -0.12 0.00 1.24 0.00 0.00 39.78 40.07 1v32 n ASN 93 CO 0.00 0.00 0.00 -1.10 -2.11 0.00 0.00 177.26 174.05 1v32 s GLN 94 N 7.51 2.10 0.14 1.20 -0.21 -1.26 -5.09 119.66 124.06 1v32 s GLN 94 Ca 1.13 -2.96 -0.32 0.00 0.02 0.00 0.00 55.36 53.23 1v32 s GLN 94 Cb -0.77 -3.08 -0.17 0.00 1.00 0.00 0.00 33.01 29.98 1v32 s GLN 94 CO 0.43 -1.26 0.82 -0.25 -2.12 0.00 0.00 175.29 172.91 1v32 n ASP 95 N 2.41 -0.28 -3.82 5.90 9.92 -1.26 -4.96 116.55 124.46 1v32 n ASP 95 Ca 0.17 1.14 -0.12 0.00 -0.53 0.00 0.00 54.79 55.46 1v32 n ASP 95 Cb 0.36 -1.01 -0.09 0.00 -0.64 0.00 0.00 41.12 39.74 1v32 n ASP 95 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 1v32 s SER 96 N -0.51 -0.07 0.00 -2.24 1.04 -1.26 -5.15 113.70 105.50 1v32 s SER 96 Ca 0.73 -0.08 0.00 0.00 0.48 0.00 0.00 55.95 57.08 1v32 s SER 96 Cb -1.00 0.25 0.00 0.00 0.10 0.00 0.00 66.02 65.37 1v32 s SER 96 CO 0.56 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.98 1v32 n GLY 97 N 1.36 1.24 0.20 7.32 0.00 -1.26 -4.93 105.19 109.12 1v32 n GLY 97 Ca -0.22 -1.70 -0.18 0.00 0.00 0.00 0.00 46.02 43.92 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 0.67 -3.15 1.61 0.13 -2.07 -3.51 132.00 125.69 1v32 h PRO 98 Ca 0.00 -0.65 0.33 0.00 -0.87 0.00 0.00 66.00 64.81 1v32 h PRO 98 Cb 0.00 0.17 -0.13 0.00 0.13 0.00 0.00 31.00 31.17 1v32 h PRO 98 CO 0.00 1.25 -0.81 0.43 -0.23 0.00 0.00 178.00 178.64 1v32 n SER 99 N -3.86 -7.82 -5.00 1.44 7.64 -1.26 -4.91 113.62 99.85 1v32 n SER 99 Ca -0.09 0.92 -0.18 0.00 1.01 0.00 0.00 58.87 60.54 1v32 n SER 99 Cb 0.82 -4.38 0.00 0.00 -1.01 0.00 0.00 64.21 59.64 1v32 n SER 99 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1v32 s SER 100 N -6.77 5.75 0.00 6.43 0.01 -1.26 -5.27 113.70 112.58 1v32 s SER 100 Ca 0.00 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 56.91 1v32 s SER 100 Cb 0.00 -0.84 0.00 0.00 0.21 0.00 0.00 66.02 65.39 1v32 s SER 100 CO 0.00 -0.65 0.00 0.61 0.41 0.00 0.00 173.24 173.61