#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wh6 n SER 2 N 0.00 -5.97 0.00 1.61 2.88 -1.26 -4.97 113.62 105.91 1wh6 n SER 2 Ca 0.00 1.01 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1wh6 n SER 2 Cb 0.00 -3.64 0.00 0.00 -0.75 0.00 0.00 64.21 59.82 1wh6 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wh6 n SER 3 N -3.77 0.06 -0.92 -3.46 7.64 -1.26 -5.16 113.62 106.75 1wh6 n SER 3 Ca -0.06 -1.00 0.09 0.00 1.01 0.00 0.00 58.87 58.91 1wh6 n SER 3 Cb 0.51 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.69 1wh6 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wh6 n GLY 4 N 0.00 -1.74 1.52 0.23 0.00 -1.26 -5.09 105.19 98.85 1wh6 n GLY 4 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 1wh6 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1wh6 n SER 5 N -2.80 -8.22 -3.66 1.61 7.64 -1.26 -5.11 113.62 101.82 1wh6 n SER 5 Ca 0.00 1.75 -0.13 0.00 1.01 0.00 0.00 58.87 61.51 1wh6 n SER 5 Cb 0.30 -4.86 -0.06 0.00 -1.01 0.00 0.00 64.21 58.58 1wh6 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1wh6 s SER 6 N -5.11 -0.30 -0.27 6.43 1.04 -1.26 -5.18 113.70 109.06 1wh6 s SER 6 Ca 0.00 0.03 -0.26 0.00 0.48 0.00 0.00 55.95 56.20 1wh6 s SER 6 Cb 0.00 0.43 0.16 0.00 0.10 0.00 0.00 66.02 66.71 1wh6 s SER 6 CO 0.00 -0.66 1.24 -0.83 0.98 0.00 0.00 173.24 173.98 1wh6 s GLY 7 N -1.95 0.07 0.55 7.32 0.00 -1.26 -5.02 107.32 107.04 1wh6 s GLY 7 Ca -0.06 2.94 0.24 0.00 0.00 0.00 0.00 44.72 47.84 1wh6 s GLY 7 CO -0.02 1.64 2.20 1.46 0.00 0.00 0.00 173.10 178.38 1wh6 h GLN 8 N 3.18 0.00 0.13 2.90 4.20 -2.03 -3.08 115.11 120.42 1wh6 h GLN 8 Ca -0.23 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.13 1wh6 h GLN 8 Cb 1.18 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.95 1wh6 h GLN 8 CO 0.18 0.01 -1.90 0.10 -0.67 0.00 0.00 178.83 176.56 1wh6 h TYR 9 N 0.00 0.51 0.00 2.96 -0.00 -1.96 -3.36 116.97 115.11 1wh6 h TYR 9 Ca -0.00 -0.37 -0.03 0.00 -0.00 0.00 0.00 58.73 58.32 1wh6 h TYR 9 Cb 0.03 -0.02 -0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1wh6 h TYR 9 CO 0.00 1.69 -0.16 1.05 -0.00 0.00 0.00 178.16 180.74 1wh6 h GLU 10 N 0.08 0.00 -0.51 0.10 4.11 -1.93 -0.17 114.58 116.26 1wh6 h GLU 10 Ca -0.39 0.00 0.10 0.00 0.07 0.00 0.00 59.36 59.14 1wh6 h GLU 10 Cb 2.05 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 31.20 1wh6 h GLU 10 CO 0.11 0.16 -0.26 1.25 0.07 0.00 0.00 179.01 180.34 1wh6 h LEU 11 N 0.00 -0.89 -0.11 3.06 7.12 -1.71 -0.81 115.31 121.97 1wh6 h LEU 11 Ca -0.00 0.19 0.00 0.00 0.13 0.00 0.00 57.88 58.20 1wh6 h LEU 11 Cb 0.36 0.47 0.00 0.00 -0.53 0.00 0.00 40.66 40.95 1wh6 h LEU 11 CO 0.02 -0.27 0.00 -1.22 -0.13 0.00 0.00 178.44 176.84 1wh6 n TYR 12 N -5.42 0.02 1.05 1.25 4.01 -0.10 -1.83 117.16 116.14 1wh6 n TYR 12 Ca 0.04 -0.01 0.14 0.00 -0.16 0.00 0.00 57.90 57.90 1wh6 n TYR 12 Cb 0.33 0.00 0.57 0.00 -0.31 0.00 0.00 39.34 39.93 1wh6 n TYR 12 CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 1wh6 n MET 13 N -0.69 0.06 -0.00 -0.72 1.56 -0.31 -4.25 117.12 112.77 1wh6 n MET 13 Ca 0.15 -0.01 0.08 0.00 -0.27 0.00 0.00 57.70 57.65 1wh6 n MET 13 Cb 0.10 -1.50 -0.11 0.00 2.15 0.00 0.00 33.22 33.86 1wh6 n MET 13 CO 0.00 0.00 0.00 0.66 -0.73 0.00 0.00 175.97 175.90 1wh6 n TYR 14 N -1.46 0.00 -4.39 1.12 4.01 -0.76 -5.06 117.16 110.62 1wh6 n TYR 14 Ca 0.08 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.61 1wh6 n TYR 14 Cb 0.33 -0.19 -0.09 0.00 -0.31 0.00 0.00 39.34 39.08 1wh6 n TYR 14 CO 0.00 0.00 0.00 0.50 -0.46 0.00 0.00 176.86 176.90 1wh6 s ARG 15 N -2.83 1.69 0.27 -0.72 3.00 -1.25 -5.16 118.95 113.93 1wh6 s ARG 15 Ca -0.00 -1.98 0.11 0.00 -1.00 0.00 0.00 55.73 52.86 1wh6 s ARG 15 Cb 0.11 -0.32 -0.05 0.00 0.00 0.00 0.00 34.95 34.70 1wh6 s ARG 15 CO 0.67 -0.43 -0.19 -1.21 0.00 0.00 0.00 175.30 174.14 1wh6 s GLU 16 N -3.79 1.63 -0.12 5.12 8.01 -1.26 -4.96 118.70 123.33 1wh6 s GLU 16 Ca 0.33 -1.73 -0.21 0.00 0.01 0.00 0.00 54.97 53.36 1wh6 s GLU 16 Cb 0.05 -1.69 0.05 0.00 -4.31 0.00 0.00 34.13 28.23 1wh6 s GLU 16 CO 0.17 0.31 0.52 0.54 0.01 0.00 0.00 175.26 176.82 1wh6 s VAL 17 N -2.52 0.01 -0.81 2.63 0.11 -1.26 -5.11 120.40 113.46 1wh6 s VAL 17 Ca 0.29 -0.11 -0.26 0.00 -2.93 0.00 0.00 61.98 58.96 1wh6 s VAL 17 Cb -0.05 -0.79 0.04 0.00 -1.53 0.00 0.00 36.38 34.05 1wh6 s VAL 17 CO 0.14 -0.06 1.32 -1.81 -3.33 0.00 0.00 175.10 171.35 1wh6 s ASP 18 N -0.49 6.25 0.51 3.54 1.11 -1.26 -4.48 116.67 121.84 1wh6 s ASP 18 Ca -0.06 -0.71 0.23 0.00 0.18 0.00 0.00 52.55 52.18 1wh6 s ASP 18 Cb -0.03 -2.56 1.32 0.00 1.07 0.00 0.00 42.92 42.72 1wh6 s ASP 18 CO 0.04 -1.75 1.99 0.71 1.18 0.00 0.00 175.17 177.34 1wh6 h THR 19 N 6.22 0.77 -0.49 -1.27 1.35 -1.97 -0.28 112.91 117.23 1wh6 h THR 19 Ca -0.16 -0.03 -0.13 0.00 -0.55 0.00 0.00 66.41 65.54 1wh6 h THR 19 Cb 1.04 0.68 -0.01 0.00 -1.73 0.00 0.00 68.15 68.12 1wh6 h THR 19 CO 1.31 0.02 -0.21 -0.07 -0.25 0.00 0.00 175.52 176.32 1wh6 h LEU 20 N 0.08 1.02 0.16 3.87 -0.00 -1.89 -1.74 115.31 116.81 1wh6 h LEU 20 Ca 0.26 -0.39 -0.30 0.00 -0.00 0.00 0.00 57.88 57.45 1wh6 h LEU 20 Cb 0.91 -0.28 0.01 0.00 -0.00 0.00 0.00 40.66 41.30 1wh6 h LEU 20 CO -0.02 1.19 -1.37 -0.33 -0.00 0.00 0.00 178.44 177.90 1wh6 h GLU 21 N 0.86 0.33 0.22 1.13 4.39 -1.68 -2.76 114.58 117.08 1wh6 h GLU 21 Ca 0.11 -0.57 0.01 0.00 0.34 0.00 0.00 59.36 59.25 1wh6 h GLU 21 Cb 0.79 0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 29.61 1wh6 h GLU 21 CO 0.07 1.25 -0.46 1.25 -1.16 0.00 0.00 179.01 179.96 1wh6 h LEU 22 N 0.09 -1.34 -1.10 1.33 5.85 -1.10 -0.29 115.31 118.75 1wh6 h LEU 22 Ca -0.19 0.14 0.01 0.00 0.84 0.00 0.00 57.88 58.67 1wh6 h LEU 22 Cb 2.03 0.48 -0.04 0.00 0.37 0.00 0.00 40.66 43.50 1wh6 h LEU 22 CO 0.21 -0.55 0.58 0.71 -0.34 0.00 0.00 178.44 179.05 1wh6 h THR 23 N -0.77 1.23 0.46 1.05 1.35 -1.39 -0.57 112.91 114.27 1wh6 h THR 23 Ca -0.01 -0.44 -0.01 0.00 -0.55 0.00 0.00 66.41 65.40 1wh6 h THR 23 Cb 0.75 -0.07 -0.02 0.00 -1.73 0.00 0.00 68.15 67.08 1wh6 h THR 23 CO -0.20 0.23 -0.45 0.03 -0.25 0.00 0.00 175.52 174.87 1wh6 h ARG 24 N 1.21 -0.89 -0.79 4.72 3.08 -1.17 0.24 114.38 120.79 1wh6 h ARG 24 Ca 0.32 0.06 0.12 0.00 0.07 0.00 0.00 59.98 60.55 1wh6 h ARG 24 Cb -0.12 0.20 -0.08 0.00 0.08 0.00 0.00 29.97 30.05 1wh6 h ARG 24 CO -0.07 -0.59 0.40 1.96 -1.07 0.00 0.00 179.97 180.60 1wh6 h GLN 25 N -0.92 0.60 0.53 0.04 4.20 -0.50 0.34 115.11 119.40 1wh6 h GLN 25 Ca -0.05 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1wh6 h GLN 25 Cb 0.81 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.44 1wh6 h GLN 25 CO -0.06 0.40 -0.43 0.28 -0.67 0.00 0.00 178.83 178.35 1wh6 h VAL 26 N 0.62 0.14 -0.90 -0.54 2.07 -1.01 -0.73 116.25 115.90 1wh6 h VAL 26 Ca 0.41 0.00 0.10 0.00 0.82 0.00 0.00 66.70 68.03 1wh6 h VAL 26 Cb 0.51 0.14 -0.08 0.00 -1.52 0.00 0.00 31.29 30.34 1wh6 h VAL 26 CO -0.32 0.00 0.54 0.11 0.02 0.00 0.00 177.57 177.92 1wh6 h LYS 27 N -0.94 0.87 0.29 1.57 1.57 -0.03 0.06 116.57 119.96 1wh6 h LYS 27 Ca -0.06 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1wh6 h LYS 27 Cb 0.80 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.92 1wh6 h LYS 27 CO -0.00 0.58 -0.14 0.93 -0.57 0.00 0.00 179.45 180.24 1wh6 h GLU 28 N 0.90 -0.38 -0.31 3.15 5.08 -0.84 -1.24 114.58 120.94 1wh6 h GLU 28 Ca 0.43 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.82 1wh6 h GLU 28 Cb 0.39 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.71 1wh6 h GLU 28 CO -0.25 -0.15 0.19 -0.22 -1.00 0.00 0.00 179.01 177.59 1wh6 h LYS 29 N -0.55 0.42 0.11 2.33 3.64 -0.60 0.14 116.57 122.06 1wh6 h LYS 29 Ca -0.04 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1wh6 h LYS 29 Cb 0.40 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1wh6 h LYS 29 CO 0.07 0.29 -0.06 -0.07 -2.27 0.00 0.00 179.45 177.41 1wh6 h LEU 30 N 0.43 -0.13 -0.46 5.20 3.38 -0.87 -2.56 115.31 120.30 1wh6 h LEU 30 Ca 0.11 -0.11 0.03 0.00 0.09 0.00 0.00 57.88 58.00 1wh6 h LEU 30 Cb -0.03 0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1wh6 h LEU 30 CO -0.02 0.03 0.26 0.00 0.09 0.00 0.00 178.44 178.80 1wh6 h ALA 31 N 0.58 0.58 -0.48 1.53 0.00 -0.36 0.26 119.26 121.37 1wh6 h ALA 31 Ca -0.02 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 54.99 1wh6 h ALA 31 Cb 0.24 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 17.81 1wh6 h ALA 31 CO 0.03 -0.06 -0.25 -0.22 0.00 0.00 0.00 179.25 178.74 1wh6 h LYS 32 N 0.52 -0.14 0.00 0.00 3.11 -0.66 -1.68 116.57 117.73 1wh6 h LYS 32 Ca 0.19 0.01 -0.06 0.00 -2.81 0.00 0.00 60.65 57.98 1wh6 h LYS 32 Cb 0.04 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.29 1wh6 h LYS 32 CO -0.10 -0.09 -0.79 -0.91 -2.81 0.00 0.00 179.45 174.75 1wh6 h ASN 33 N -0.15 0.00 -2.37 4.20 2.35 -1.39 -3.49 115.58 114.74 1wh6 h ASN 33 Ca 0.22 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.97 1wh6 h ASN 33 Cb 0.49 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.86 1wh6 h ASN 33 CO -0.57 0.22 0.00 0.61 -1.65 0.00 0.00 177.43 176.04 1wh6 n GLY 34 N 1.22 0.37 3.07 2.83 0.00 -0.14 -5.09 105.19 107.44 1wh6 n GLY 34 Ca -0.01 -0.35 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 1wh6 n GLY 34 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1wh6 s ILE 35 N -2.79 1.79 0.12 -0.61 1.01 -0.10 -5.02 121.20 115.59 1wh6 s ILE 35 Ca 0.00 -0.77 -0.31 0.00 0.00 0.00 0.00 60.65 59.57 1wh6 s ILE 35 Cb 0.00 -1.65 -0.10 0.00 0.01 0.00 0.00 42.46 40.72 1wh6 s ILE 35 CO 0.00 0.50 1.79 0.00 0.00 0.00 0.00 174.94 177.23 1wh6 h GLN 37 N 8.48 0.78 0.25 0.00 7.50 -1.99 -0.91 115.11 129.21 1wh6 h GLN 37 Ca -0.45 -0.19 0.00 0.00 0.50 0.00 0.00 58.65 58.51 1wh6 h GLN 37 Cb 1.21 -0.10 -0.02 0.00 0.05 0.00 0.00 27.48 28.62 1wh6 h GLN 37 CO 0.94 0.76 -0.26 -0.09 -1.50 0.00 0.00 178.83 178.69 1wh6 h ARG 38 N 0.73 -0.52 -0.61 1.46 2.43 -1.93 -0.78 114.38 115.16 1wh6 h ARG 38 Ca 0.15 0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.31 1wh6 h ARG 38 Cb 0.40 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.04 1wh6 h ARG 38 CO 0.01 -0.35 0.22 0.82 -1.51 0.00 0.00 179.97 179.16 1wh6 h ILE 39 N -0.54 1.24 -0.54 1.20 2.04 -1.86 0.16 117.51 119.19 1wh6 h ILE 39 Ca -0.00 -0.77 0.11 0.00 1.00 0.00 0.00 64.86 65.19 1wh6 h ILE 39 Cb 0.51 0.60 -0.09 0.00 -0.74 0.00 0.00 36.82 37.10 1wh6 h ILE 39 CO -0.06 0.30 0.01 0.15 0.00 0.00 0.00 178.15 178.55 1wh6 h PHE 40 N 0.85 -0.01 -0.59 1.37 3.57 -1.03 -1.10 116.94 120.00 1wh6 h PHE 40 Ca 0.20 0.04 -0.10 0.00 3.53 0.00 0.00 57.97 61.64 1wh6 h PHE 40 Cb 0.24 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 1wh6 h PHE 40 CO 0.01 -0.12 -0.02 0.78 -2.23 0.00 0.00 178.31 176.74 1wh6 h GLY 41 N 0.13 1.12 2.00 2.40 0.00 -0.10 0.10 103.07 108.73 1wh6 h GLY 41 Ca 0.28 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.78 1wh6 h GLY 41 CO -0.45 0.76 0.00 0.83 0.00 0.00 0.00 176.54 177.68 1wh6 h GLU 42 N 0.95 0.00 0.00 4.80 5.08 -0.12 0.13 114.58 125.42 1wh6 h GLU 42 Ca 0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1wh6 h GLU 42 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1wh6 h GLU 42 CO 0.03 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.67 1wh6 n LYS 43 N -2.91 0.00 -0.02 2.33 5.02 -0.47 -3.85 118.16 118.25 1wh6 n LYS 43 Ca 0.01 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.18 1wh6 n LYS 43 Cb 0.29 -0.33 -0.08 0.00 -0.02 0.00 0.00 35.03 34.89 1wh6 n LYS 43 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1wh6 h VAL 44 N 0.00 1.28 0.11 -0.18 2.07 -0.99 -3.11 116.25 115.43 1wh6 h VAL 44 Ca 0.00 -0.88 -0.30 0.00 0.82 0.00 0.00 66.70 66.34 1wh6 h VAL 44 Cb 0.00 1.73 0.03 0.00 -1.52 0.00 0.00 31.29 31.53 1wh6 h VAL 44 CO 0.00 0.24 -1.23 -0.07 0.02 0.00 0.00 177.57 176.53 1wh6 h LEU 45 N -0.19 0.89 0.00 2.57 3.38 -1.54 -3.47 115.31 116.95 1wh6 h LEU 45 Ca 0.02 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.18 1wh6 h LEU 45 Cb 0.39 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1wh6 h LEU 45 CO 0.01 1.61 0.00 0.61 0.09 0.00 0.00 178.44 180.76 1wh6 n GLY 46 N 1.35 0.70 3.97 0.83 0.00 0.30 -4.98 105.19 107.36 1wh6 n GLY 46 Ca -0.13 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 1wh6 n GLY 46 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1wh6 s LEU 47 N 0.00 2.98 0.35 0.99 1.43 -0.32 -4.84 118.68 119.28 1wh6 s LEU 47 Ca 0.00 -0.03 -0.28 0.00 -1.03 0.00 0.00 54.13 52.79 1wh6 s LEU 47 Cb 0.00 -2.48 -0.12 0.00 0.03 0.00 0.00 46.19 43.63 1wh6 s LEU 47 CO 0.00 -1.74 1.40 -1.20 0.23 0.00 0.00 176.35 175.04 1wh6 n SER 48 N -2.85 3.29 0.10 2.29 7.64 -1.26 -4.09 113.62 118.75 1wh6 n SER 48 Ca 0.12 1.21 -0.13 0.00 1.01 0.00 0.00 58.87 61.08 1wh6 n SER 48 Cb 0.60 -1.55 -0.08 0.00 -1.01 0.00 0.00 64.21 62.18 1wh6 n SER 48 CO 0.00 0.00 0.00 0.06 -3.01 0.00 0.00 175.04 172.09 1wh6 h GLN 49 N 2.90 -0.17 -0.24 1.43 3.07 -1.93 -3.17 115.11 117.01 1wh6 h GLN 49 Ca -0.48 0.01 -0.10 0.00 0.09 0.00 0.00 58.65 58.17 1wh6 h GLN 49 Cb 1.26 0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.85 1wh6 h GLN 49 CO 0.64 -0.07 -0.29 0.78 0.09 0.00 0.00 178.83 179.98 1wh6 h GLY 50 N -0.21 0.53 0.62 0.06 0.00 -1.98 -1.84 103.07 100.25 1wh6 h GLY 50 Ca -0.02 -0.45 0.11 0.00 0.00 0.00 0.00 47.33 46.97 1wh6 h GLY 50 CO 0.03 0.41 0.60 1.76 0.00 0.00 0.00 176.54 179.34 1wh6 h SER 51 N 0.42 0.85 0.83 0.19 0.02 -1.96 -0.80 113.55 113.10 1wh6 h SER 51 Ca 0.06 0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 60.92 1wh6 h SER 51 Cb 0.72 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.10 1wh6 h SER 51 CO 0.06 0.48 -0.58 1.62 -1.14 0.00 0.00 176.83 177.26 1wh6 h VAL 52 N 0.92 1.24 0.32 2.27 3.04 -1.31 0.01 116.25 122.74 1wh6 h VAL 52 Ca 0.44 -2.12 -0.02 0.00 -1.01 0.00 0.00 66.70 64.00 1wh6 h VAL 52 Cb 0.45 2.20 0.00 0.00 -2.01 0.00 0.00 31.29 31.93 1wh6 h VAL 52 CO -0.21 0.57 -0.15 -1.28 -1.01 0.00 0.00 177.57 175.49 1wh6 h SER 53 N 0.00 -0.36 0.20 3.17 0.87 -1.07 -1.97 113.55 114.38 1wh6 h SER 53 Ca -0.01 -0.18 -0.02 0.00 -1.23 0.00 0.00 61.79 60.35 1wh6 h SER 53 Cb 1.15 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1wh6 h SER 53 CO 0.08 0.03 -0.11 0.44 -0.53 0.00 0.00 176.83 176.74 1wh6 h ASP 54 N -0.82 0.00 0.09 6.23 3.32 -1.00 0.32 116.42 124.56 1wh6 h ASP 54 Ca -0.04 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.00 1wh6 h ASP 54 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.07 1wh6 h ASP 54 CO 0.07 0.11 -0.04 0.24 -1.72 0.00 0.00 179.24 177.90 1wh6 h MET 55 N 0.00 -0.12 -0.13 3.56 2.86 -0.95 -2.05 114.93 118.11 1wh6 h MET 55 Ca -0.00 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1wh6 h MET 55 Cb 0.24 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.92 1wh6 h MET 55 CO 0.01 -0.08 -0.05 -0.07 1.06 0.00 0.00 176.91 177.78 1wh6 h LEU 56 N -0.13 0.17 -0.21 1.22 3.38 -1.18 -1.61 115.31 116.96 1wh6 h LEU 56 Ca -0.01 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.77 1wh6 h LEU 56 Cb 0.09 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1wh6 h LEU 56 CO 0.02 0.26 -0.52 -1.28 0.09 0.00 0.00 178.44 177.01 1wh6 h SER 57 N 0.18 0.82 -0.90 -0.43 0.87 -1.04 -3.43 113.55 109.62 1wh6 h SER 57 Ca 0.04 -0.57 -0.36 0.00 -1.23 0.00 0.00 61.79 59.68 1wh6 h SER 57 Cb 0.22 -0.24 -0.24 0.00 -0.44 0.00 0.00 62.40 61.70 1wh6 h SER 57 CO 0.01 1.24 -0.74 -2.11 -0.53 0.00 0.00 176.83 174.69 1wh6 n ARG 58 N -4.12 0.72 -2.35 2.24 1.85 -0.77 -5.07 116.66 109.15 1wh6 n ARG 58 Ca -0.06 -2.37 -0.40 0.00 -1.00 0.00 0.00 57.85 54.03 1wh6 n ARG 58 Cb 0.61 -1.38 -0.03 0.00 -1.05 0.00 0.00 32.46 30.60 1wh6 n ARG 58 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1wh6 s PRO 59 N -0.02 4.41 0.79 2.89 0.04 -0.64 -4.67 135.00 137.80 1wh6 s PRO 59 Ca 0.33 1.90 -0.12 0.00 0.04 0.00 0.00 61.00 63.15 1wh6 s PRO 59 Cb 0.19 -3.01 0.06 0.00 0.04 0.00 0.00 34.50 31.78 1wh6 s PRO 59 CO -0.18 -0.02 1.11 0.15 0.04 0.00 0.00 177.00 178.10 1wh6 s LYS 60 N -1.78 2.18 0.69 4.56 1.02 -1.26 -4.88 119.74 120.27 1wh6 s LYS 60 Ca 0.49 0.46 -0.14 0.00 0.02 0.00 0.00 55.97 56.80 1wh6 s LYS 60 Cb -0.33 -1.94 0.02 0.00 -0.52 0.00 0.00 37.83 35.05 1wh6 s LYS 60 CO 0.43 -1.51 1.13 -1.25 -0.92 0.00 0.00 175.35 173.22 1wh6 s PRO 61 N -5.30 2.59 0.22 -1.68 0.04 -1.26 -4.77 135.00 124.84 1wh6 s PRO 61 Ca 0.61 1.44 -0.13 0.00 0.04 0.00 0.00 61.00 62.95 1wh6 s PRO 61 Cb -0.13 -1.92 0.26 0.00 0.04 0.00 0.00 34.50 32.75 1wh6 s PRO 61 CO 0.53 -1.42 1.61 2.35 0.04 0.00 0.00 177.00 180.10 1wh6 h TRP 62 N -0.18 -0.43 -0.91 0.56 2.91 -1.96 -1.73 115.95 114.21 1wh6 h TRP 62 Ca -0.46 0.06 0.12 0.00 1.13 0.00 0.00 58.89 59.74 1wh6 h TRP 62 Cb 1.25 0.30 -0.08 0.00 -0.51 0.00 0.00 29.16 30.12 1wh6 h TRP 62 CO 0.53 -0.31 0.54 0.66 -1.03 0.00 0.00 178.44 178.83 1wh6 h SER 63 N -0.02 0.75 1.25 2.65 4.64 -1.93 -1.73 113.55 119.15 1wh6 h SER 63 Ca 0.32 0.06 -0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1wh6 h SER 63 Cb 0.51 -0.08 -0.00 0.00 -0.31 0.00 0.00 62.40 62.52 1wh6 h SER 63 CO -0.71 0.38 -0.01 0.11 -0.87 0.00 0.00 176.83 175.73 1wh6 h LYS 64 N 0.83 0.00 -7.31 4.77 1.79 -1.68 -3.43 116.57 111.54 1wh6 h LYS 64 Ca 0.47 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 58.43 1wh6 h LYS 64 Cb 0.52 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 31.25 1wh6 h LYS 64 CO -0.29 0.01 0.38 -0.51 -1.08 0.00 0.00 179.45 177.95 1wh6 s LEU 65 N -6.20 3.23 0.61 2.94 1.43 -0.65 -5.03 118.68 115.00 1wh6 s LEU 65 Ca 0.02 1.63 0.05 0.00 -1.03 0.00 0.00 54.13 54.80 1wh6 s LEU 65 Cb 0.08 -4.50 0.09 0.00 0.03 0.00 0.00 46.19 41.89 1wh6 s LEU 65 CO 0.58 -1.29 0.84 0.42 0.23 0.00 0.00 176.35 177.12 1wh6 s THR 66 N -2.94 2.31 0.32 5.49 -4.23 -1.26 -4.93 115.64 110.41 1wh6 s THR 66 Ca 0.59 -0.81 0.06 0.00 -1.18 0.00 0.00 61.69 60.34 1wh6 s THR 66 Cb -0.14 -2.50 0.31 0.00 1.34 0.00 0.00 72.50 71.50 1wh6 s THR 66 CO 0.51 0.00 1.85 1.56 -0.54 0.00 0.00 174.62 177.99 1wh6 h GLN 67 N -0.04 0.79 0.12 3.99 4.20 -1.98 0.18 115.11 122.38 1wh6 h GLN 67 Ca -0.35 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.31 1wh6 h GLN 67 Cb 1.28 -0.18 0.00 0.00 0.30 0.00 0.00 27.48 28.88 1wh6 h GLN 67 CO 0.42 0.53 -0.06 0.87 -0.67 0.00 0.00 178.83 179.92 1wh6 h LYS 68 N 0.82 -0.15 0.00 1.46 6.56 -2.01 -2.61 116.57 120.64 1wh6 h LYS 68 Ca 0.48 0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 60.07 1wh6 h LYS 68 Cb 0.65 0.03 -0.00 0.00 -0.57 0.00 0.00 32.23 32.34 1wh6 h LYS 68 CO -0.24 0.01 -0.03 0.78 -2.06 0.00 0.00 179.45 177.90 1wh6 h GLY 69 N -0.28 0.00 2.00 3.86 0.00 -1.75 -2.07 103.07 104.83 1wh6 h GLY 69 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.31 1wh6 h GLY 69 CO 0.03 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.78 1wh6 h ARG 70 N 0.00 0.00 -0.42 4.80 3.08 -0.69 -3.39 114.38 117.76 1wh6 h ARG 70 Ca -0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 1wh6 h ARG 70 Cb 0.07 0.00 -0.09 0.00 0.08 0.00 0.00 29.97 30.03 1wh6 h ARG 70 CO 0.00 0.00 -0.22 0.93 -1.07 0.00 0.00 179.97 179.61 1wh6 h GLU 71 N 0.00 -0.14 -0.35 0.04 5.08 -1.00 0.78 114.58 118.99 1wh6 h GLU 71 Ca 0.00 0.01 -0.15 0.00 -1.00 0.00 0.00 59.36 58.22 1wh6 h GLU 71 Cb 0.86 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.14 1wh6 h GLU 71 CO 0.00 -0.09 -0.37 -1.00 -1.00 0.00 0.00 179.01 176.54 1wh6 h PRO 72 N -0.14 0.87 -0.72 2.33 0.13 -1.79 -2.95 132.00 129.72 1wh6 h PRO 72 Ca 0.20 -0.47 0.08 0.00 -0.87 0.00 0.00 66.00 64.94 1wh6 h PRO 72 Cb 0.46 0.02 -0.05 0.00 0.13 0.00 0.00 31.00 31.56 1wh6 h PRO 72 CO -0.51 1.11 0.48 0.74 -0.23 0.00 0.00 178.00 179.59 1wh6 h PHE 73 N 0.66 0.71 -0.09 1.56 -1.00 -1.63 -0.60 116.94 116.55 1wh6 h PHE 73 Ca 0.05 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.85 1wh6 h PHE 73 Cb 0.96 -0.23 -0.00 0.00 3.61 0.00 0.00 35.95 40.29 1wh6 h PHE 73 CO 0.07 0.35 0.05 0.82 -1.61 0.00 0.00 178.31 177.99 1wh6 h ILE 74 N 0.68 1.06 -0.48 -0.55 2.04 -0.72 -0.84 117.51 118.69 1wh6 h ILE 74 Ca 0.32 -0.15 -0.02 0.00 1.00 0.00 0.00 64.86 66.02 1wh6 h ILE 74 Cb 0.38 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 1wh6 h ILE 74 CO -0.11 0.05 0.24 0.03 0.00 0.00 0.00 178.15 178.35 1wh6 h ARG 75 N 0.08 0.67 0.08 2.37 3.08 -1.04 0.62 114.38 120.24 1wh6 h ARG 75 Ca 0.03 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.01 1wh6 h ARG 75 Cb 0.04 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1wh6 h ARG 75 CO -0.01 0.52 -0.10 0.52 -1.07 0.00 0.00 179.97 179.83 1wh6 h MET 76 N 0.68 -0.21 -0.52 0.04 2.86 -0.85 -0.78 114.93 116.14 1wh6 h MET 76 Ca 0.17 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.84 1wh6 h MET 76 Cb 0.07 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 1wh6 h MET 76 CO -0.02 -0.14 0.33 1.96 1.06 0.00 0.00 176.91 180.10 1wh6 h GLN 77 N -0.22 0.66 0.36 1.72 4.20 -0.07 -2.96 115.11 118.80 1wh6 h GLN 77 Ca 0.01 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 1wh6 h GLN 77 Cb 0.22 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1wh6 h GLN 77 CO -0.05 0.43 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.31 1wh6 h LEU 78 N 0.68 -0.41 -1.65 1.46 3.38 -0.89 -3.19 115.31 114.70 1wh6 h LEU 78 Ca 0.20 -0.14 0.28 0.00 0.09 0.00 0.00 57.88 58.31 1wh6 h LEU 78 Cb -0.04 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 1wh6 h LEU 78 CO -0.06 -0.06 0.72 -0.25 0.09 0.00 0.00 178.44 178.88 1wh6 h TRP 79 N -0.79 0.36 -0.75 1.13 7.01 -1.05 0.37 115.95 122.23 1wh6 h TRP 79 Ca -0.05 0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.07 1wh6 h TRP 79 Cb 0.52 -0.11 -0.08 0.00 -2.10 0.00 0.00 29.16 27.40 1wh6 h TRP 79 CO 0.02 0.04 0.37 -0.07 -2.79 0.00 0.00 178.44 176.01 1wh6 h LEU 80 N 0.22 0.47 0.00 0.65 3.38 -1.50 -1.30 115.31 117.23 1wh6 h LEU 80 Ca 0.55 0.07 -0.08 0.00 0.09 0.00 0.00 57.88 58.51 1wh6 h LEU 80 Cb 1.74 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 42.47 1wh6 h LEU 80 CO -0.16 0.25 -1.04 -0.24 0.09 0.00 0.00 178.44 177.34 1wh6 n SER 81 N -4.87 1.88 0.22 -0.43 2.88 0.00 -4.70 113.62 108.60 1wh6 n SER 81 Ca 0.13 0.46 0.08 0.00 -1.33 0.00 0.00 58.87 58.21 1wh6 n SER 81 Cb 0.32 -0.82 0.48 0.00 -0.75 0.00 0.00 64.21 63.43 1wh6 n SER 81 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 1wh6 h ASP 82 N -1.00 0.00 0.00 -3.46 3.58 -0.42 -3.47 116.42 111.65 1wh6 h ASP 82 Ca -0.13 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.32 1wh6 h ASP 82 Cb 0.93 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1wh6 h ASP 82 CO -0.08 0.27 0.00 0.00 -2.88 0.00 0.00 179.24 176.55 1wh6 n GLN 83 N -3.61 0.00 -2.11 0.28 1.13 -0.49 -4.33 117.38 108.24 1wh6 n GLN 83 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 1wh6 n GLN 83 Cb 0.40 -3.11 0.00 0.00 0.11 0.00 0.00 30.24 27.64 1wh6 n GLN 83 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 1wh6 n LEU 84 N 0.00 -4.42 -0.33 1.08 4.32 -1.26 -4.82 117.00 111.57 1wh6 n LEU 84 Ca 0.00 2.44 0.27 0.00 -0.02 0.00 0.00 56.01 58.70 1wh6 n LEU 84 Cb 0.00 -2.70 0.52 0.00 -1.62 0.00 0.00 43.42 39.61 1wh6 n LEU 84 CO 0.00 -2.03 1.11 1.23 -1.22 0.00 0.00 177.39 176.48 1wh6 h GLY 85 N 4.14 2.10 0.00 -0.72 0.00 -1.90 -3.40 103.07 103.29 1wh6 h GLY 85 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.12 1wh6 h GLY 85 CO 0.00 -0.58 0.00 -0.18 0.00 0.00 0.00 176.54 175.78 1wh6 n GLN 86 N -5.10 0.00 -2.80 4.80 7.27 -1.26 -5.10 117.38 115.19 1wh6 n GLN 86 Ca 0.34 0.00 -0.09 0.00 0.07 0.00 0.00 57.00 57.32 1wh6 n GLN 86 Cb 1.09 0.00 0.03 0.00 2.41 0.00 0.00 30.24 33.77 1wh6 n GLN 86 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1wh6 n ALA 87 N -2.87 -1.06 -0.02 1.69 0.00 -1.26 -5.07 120.51 111.93 1wh6 n ALA 87 Ca 0.00 -1.56 0.00 0.00 0.00 0.00 0.00 53.44 51.88 1wh6 n ALA 87 Cb 0.00 -1.30 -0.00 0.00 0.00 0.00 0.00 19.45 18.15 1wh6 n ALA 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1wh6 n VAL 88 N 1.83 -0.02 0.79 0.00 0.31 -1.26 -4.62 118.33 115.37 1wh6 n VAL 88 Ca 0.12 0.01 0.11 0.00 -0.01 0.00 0.00 64.34 64.58 1wh6 n VAL 88 Cb 0.61 -0.02 0.11 0.00 -0.91 0.00 0.00 33.84 33.63 1wh6 n VAL 88 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wh6 n GLY 89 N -1.98 -1.23 3.77 2.92 0.00 -1.26 -4.69 105.19 102.73 1wh6 n GLY 89 Ca -0.00 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 1wh6 n GLY 89 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1wh6 s GLN 90 N -3.09 4.25 -0.13 1.61 -0.44 -1.26 -4.94 119.66 115.65 1wh6 s GLN 90 Ca 0.07 2.37 -0.29 0.00 -2.50 0.00 0.00 55.36 55.01 1wh6 s GLN 90 Cb 0.16 -3.04 -0.07 0.00 -1.64 0.00 0.00 33.01 28.42 1wh6 s GLN 90 CO 0.76 -0.35 2.13 1.04 0.50 0.00 0.00 175.29 179.37 1wh6 n GLN 91 N 0.87 2.26 -1.51 1.67 1.13 -1.26 -4.87 117.38 115.67 1wh6 n GLN 91 Ca 0.01 0.72 -0.30 0.00 -1.94 0.00 0.00 57.00 55.49 1wh6 n GLN 91 Cb 0.41 -3.11 0.21 0.00 0.11 0.00 0.00 30.24 27.85 1wh6 n GLN 91 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 1wh6 s PRO 92 N 5.62 -0.16 -0.42 -1.09 0.04 -1.26 -5.07 135.00 132.66 1wh6 s PRO 92 Ca 0.97 -0.19 0.06 0.00 0.04 0.00 0.00 61.00 61.88 1wh6 s PRO 92 Cb -0.40 -1.73 0.17 0.00 0.04 0.00 0.00 34.50 32.58 1wh6 s PRO 92 CO 0.39 -2.98 0.57 0.20 0.04 0.00 0.00 177.00 175.21 1wh6 s GLY 93 N -4.36 -0.78 0.11 0.56 0.00 -1.26 -5.13 107.32 96.46 1wh6 s GLY 93 Ca 0.72 -0.41 -0.10 0.00 0.00 0.00 0.00 44.72 44.93 1wh6 s GLY 93 CO 0.54 3.32 0.25 0.00 0.00 0.00 0.00 173.10 177.21 1wh6 s ALA 94 N 1.42 -0.32 -0.27 3.20 0.00 -1.26 -5.15 121.76 119.38 1wh6 s ALA 94 Ca 0.20 -0.56 -0.02 0.00 0.00 0.00 0.00 51.96 51.58 1wh6 s ALA 94 Cb -0.06 0.59 0.12 0.00 0.00 0.00 0.00 23.12 23.76 1wh6 s ALA 94 CO -0.06 -0.56 0.23 -1.54 0.00 0.00 0.00 175.76 173.83 1wh6 s SER 95 N -2.87 2.06 0.30 0.00 1.04 -1.26 -5.13 113.70 107.84 1wh6 s SER 95 Ca 0.07 -0.75 -0.08 0.00 0.48 0.00 0.00 55.95 55.67 1wh6 s SER 95 Cb 0.04 0.26 0.00 0.00 0.10 0.00 0.00 66.02 66.42 1wh6 s SER 95 CO -0.09 -0.38 0.50 -0.94 0.98 0.00 0.00 173.24 173.30 1wh6 s SER 96 N 2.29 0.39 0.01 7.02 1.04 -1.26 -5.19 113.70 117.99 1wh6 s SER 96 Ca 0.09 -1.23 -0.14 0.00 0.48 0.00 0.00 55.95 55.15 1wh6 s SER 96 Cb -0.15 0.64 0.02 0.00 0.10 0.00 0.00 66.02 66.64 1wh6 s SER 96 CO -0.28 -1.26 0.30 -0.83 0.98 0.00 0.00 173.24 172.15 1wh6 s GLY 97 N -3.13 -0.13 0.77 7.32 0.00 -1.26 -5.17 107.32 105.72 1wh6 s GLY 97 Ca 0.26 0.18 -0.12 0.00 0.00 0.00 0.00 44.72 45.04 1wh6 s GLY 97 CO 0.15 -0.03 1.13 2.56 0.00 0.00 0.00 173.10 176.91 1wh6 s PRO 98 N -1.83 2.33 -0.15 2.90 0.04 -1.26 -5.10 135.00 131.92 1wh6 s PRO 98 Ca -0.10 0.32 -0.19 0.00 0.04 0.00 0.00 61.00 61.07 1wh6 s PRO 98 Cb -0.03 -1.97 0.05 0.00 0.04 0.00 0.00 34.50 32.58 1wh6 s PRO 98 CO 0.01 -1.38 0.50 -1.54 0.04 0.00 0.00 177.00 174.63 1wh6 s SER 99 N -4.40 -0.50 0.07 6.66 1.04 -1.26 -5.18 113.70 110.14 1wh6 s SER 99 Ca 0.60 0.86 0.07 0.00 0.48 0.00 0.00 55.95 57.96 1wh6 s SER 99 Cb -0.11 0.88 -0.03 0.00 0.10 0.00 0.00 66.02 66.86 1wh6 s SER 99 CO 0.51 -0.26 -0.18 -0.94 0.98 0.00 0.00 173.24 173.35 1wh6 s SER 100 N -0.11 2.16 0.00 7.02 1.04 -1.26 -5.22 113.70 117.33 1wh6 s SER 100 Ca -0.03 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.80 1wh6 s SER 100 Cb -0.03 -0.12 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1wh6 s SER 100 CO 0.02 0.04 0.00 0.61 0.98 0.00 0.00 173.24 174.89