#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cue s SER 2 N 0.00 1.41 0.42 1.61 1.04 -1.26 -5.17 113.70 111.76 2cue s SER 2 Ca 0.00 -0.85 0.07 0.00 0.48 0.00 0.00 55.95 55.65 2cue s SER 2 Cb 0.00 0.02 -0.05 0.00 0.10 0.00 0.00 66.02 66.09 2cue s SER 2 CO 0.00 -0.30 0.17 -0.44 0.98 0.00 0.00 173.24 173.65 2cue s SER 3 N -2.56 4.37 -0.57 7.02 0.01 -1.26 -5.06 113.70 115.65 2cue s SER 3 Ca 0.07 -1.15 -0.27 0.00 1.31 0.00 0.00 55.95 55.91 2cue s SER 3 Cb -0.01 -0.37 -0.00 0.00 0.21 0.00 0.00 66.02 65.84 2cue s SER 3 CO -0.01 -0.58 1.60 -0.83 0.41 0.00 0.00 173.24 173.84 2cue s GLY 4 N -3.91 0.64 -0.16 3.44 0.00 -1.26 -4.97 107.32 101.11 2cue s GLY 4 Ca 0.38 -0.61 0.01 0.00 0.00 0.00 0.00 44.72 44.50 2cue s GLY 4 CO 0.21 3.06 -0.17 -0.56 0.00 0.00 0.00 173.10 175.63 2cue s SER 5 N 5.83 2.90 -1.61 1.64 0.01 -1.26 -4.74 113.70 116.47 2cue s SER 5 Ca 0.59 -0.56 -0.14 0.00 1.31 0.00 0.00 55.95 57.15 2cue s SER 5 Cb -0.13 -1.33 0.11 0.00 0.21 0.00 0.00 66.02 64.89 2cue s SER 5 CO 0.24 -0.01 0.75 -1.20 0.41 0.00 0.00 173.24 173.42 2cue n SER 6 N 4.60 -2.94 -4.44 2.44 7.64 -1.26 -4.88 113.62 114.78 2cue n SER 6 Ca -0.19 -0.97 -0.43 0.00 1.01 0.00 0.00 58.87 58.29 2cue n SER 6 Cb 0.50 -3.02 -0.04 0.00 -1.01 0.00 0.00 64.21 60.64 2cue n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cue s GLY 7 N -3.53 1.49 1.13 0.23 0.00 -1.26 -5.04 107.32 100.35 2cue s GLY 7 Ca 0.57 -1.88 -0.12 0.00 0.00 0.00 0.00 44.72 43.28 2cue s GLY 7 CO 0.90 1.92 1.03 -1.06 0.00 0.00 0.00 173.10 175.89 2cue n GLN 8 N 7.30 -2.13 -1.13 2.90 6.02 -1.26 -4.84 117.38 124.23 2cue n GLN 8 Ca -0.05 -0.58 -0.38 0.00 -0.01 0.00 0.00 57.00 55.98 2cue n GLN 8 Cb 0.45 -2.20 -0.01 0.00 1.02 0.00 0.00 30.24 29.50 2cue n GLN 8 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 2cue n ARG 9 N -4.82 0.00 -3.61 -1.09 1.85 -1.26 -4.96 116.66 102.77 2cue n ARG 9 Ca 0.05 0.00 -0.20 0.00 -1.00 0.00 0.00 57.85 56.69 2cue n ARG 9 Cb 0.54 -0.84 -0.02 0.00 -1.05 0.00 0.00 32.46 31.08 2cue n ARG 9 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 2cue s ASN 10 N -0.84 5.44 -0.11 2.89 2.47 -1.26 -5.12 114.94 118.41 2cue s ASN 10 Ca 0.52 -0.46 0.02 0.00 0.42 0.00 0.00 52.86 53.36 2cue s ASN 10 Cb -0.64 -0.93 0.01 0.00 -1.45 0.00 0.00 41.25 38.24 2cue s ASN 10 CO 0.51 -0.46 -0.18 0.00 -3.72 0.00 0.00 177.10 173.25 2cue s ARG 11 N -4.09 2.44 -0.25 0.43 1.70 -1.26 -5.11 118.95 112.81 2cue s ARG 11 Ca 0.44 -0.65 -0.16 0.00 -0.47 0.00 0.00 55.73 54.89 2cue s ARG 11 Cb -0.07 -2.00 -0.03 0.00 -0.57 0.00 0.00 34.95 32.28 2cue s ARG 11 CO 0.28 -0.01 0.44 0.95 -1.08 0.00 0.00 175.30 175.89 2cue s THR 12 N 0.82 5.13 -0.19 4.99 -4.23 -1.26 -4.96 115.64 115.93 2cue s THR 12 Ca -0.10 0.74 -0.23 0.00 -1.18 0.00 0.00 61.69 60.93 2cue s THR 12 Cb -0.16 -3.76 -0.20 0.00 1.34 0.00 0.00 72.50 69.71 2cue s THR 12 CO 0.01 0.15 0.34 0.28 -0.54 0.00 0.00 174.62 174.86 2cue h SER 13 N 7.91 0.00 -2.14 3.99 0.02 -2.09 -3.48 113.55 117.76 2cue h SER 13 Ca -0.31 -0.62 -0.36 0.00 -0.84 0.00 0.00 61.79 59.66 2cue h SER 13 Cb 1.15 0.00 0.19 0.00 0.14 0.00 0.00 62.40 63.89 2cue h SER 13 CO 0.69 1.36 -0.81 0.49 -1.14 0.00 0.00 176.83 177.42 2cue n PHE 14 N -4.48 -1.89 -4.42 3.45 3.01 -1.26 -5.02 117.46 106.85 2cue n PHE 14 Ca -0.26 0.05 -0.26 0.00 1.01 0.00 0.00 57.45 57.99 2cue n PHE 14 Cb 0.62 -1.47 -0.11 0.00 -0.01 0.00 0.00 39.48 38.51 2cue n PHE 14 CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 2cue s THR 15 N -2.16 2.30 0.53 4.37 -4.23 -1.26 -4.99 115.64 110.20 2cue s THR 15 Ca 0.48 -2.07 0.29 0.00 -1.18 0.00 0.00 61.69 59.21 2cue s THR 15 Cb -0.09 -2.11 0.46 0.00 1.34 0.00 0.00 72.50 72.10 2cue s THR 15 CO 0.53 -0.19 1.92 -0.61 -0.54 0.00 0.00 174.62 175.73 2cue h GLN 16 N 3.07 0.02 -0.01 3.99 -0.00 -1.98 0.51 115.11 120.72 2cue h GLN 16 Ca -0.45 -0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.12 2cue h GLN 16 Cb 1.22 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.68 2cue h GLN 16 CO 0.50 0.02 -0.37 0.93 0.00 0.00 0.00 178.83 179.91 2cue h GLU 17 N 0.02 0.02 0.11 1.69 5.08 -2.00 -2.29 114.58 117.21 2cue h GLU 17 Ca 0.38 -0.01 -0.36 0.00 -1.00 0.00 0.00 59.36 58.37 2cue h GLU 17 Cb 1.49 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.72 2cue h GLU 17 CO -0.01 0.39 -2.02 1.04 -1.00 0.00 0.00 179.01 177.40 2cue n GLN 18 N -4.10 0.74 -0.11 2.33 6.02 0.15 -4.09 117.38 118.32 2cue n GLN 18 Ca -0.02 0.26 0.07 0.00 -0.01 0.00 0.00 57.00 57.31 2cue n GLN 18 Cb 0.41 -1.69 0.40 0.00 1.02 0.00 0.00 30.24 30.38 2cue n GLN 18 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2cue h ILE 19 N 0.01 1.02 -0.50 5.09 2.04 -0.64 0.21 117.51 124.74 2cue h ILE 19 Ca -0.44 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.19 2cue h ILE 19 Cb 1.98 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 2cue h ILE 19 CO 0.05 0.11 0.25 1.05 0.00 0.00 0.00 178.15 179.62 2cue h GLU 20 N 0.63 0.71 0.02 2.37 4.11 -1.57 0.10 114.58 120.95 2cue h GLU 20 Ca 0.26 -0.09 -0.21 0.00 0.07 0.00 0.00 59.36 59.39 2cue h GLU 20 Cb 0.23 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 2cue h GLU 20 CO -0.08 0.57 -0.95 0.00 0.07 0.00 0.00 179.01 178.63 2cue h ALA 21 N 1.10 0.43 0.00 1.06 0.00 -1.50 -2.49 119.26 117.85 2cue h ALA 21 Ca 0.17 -0.77 -0.07 0.00 0.00 0.00 0.00 54.91 54.24 2cue h ALA 21 Cb 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2cue h ALA 21 CO -0.02 0.96 -0.33 -0.07 0.00 0.00 0.00 179.25 179.79 2cue h LEU 22 N 0.09 0.00 0.13 0.00 3.38 -0.38 -2.88 115.31 115.66 2cue h LEU 22 Ca -0.05 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.68 2cue h LEU 22 Cb 1.61 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.37 2cue h LEU 22 CO 0.15 0.33 -1.15 -0.33 0.09 0.00 0.00 178.44 177.52 2cue h GLU 23 N 0.00 0.28 -0.09 1.13 5.08 -0.77 -3.10 114.58 117.10 2cue h GLU 23 Ca -0.00 -0.48 0.03 0.00 -1.00 0.00 0.00 59.36 57.91 2cue h GLU 23 Cb 0.85 0.18 -0.00 0.00 0.50 0.00 0.00 28.75 30.27 2cue h GLU 23 CO 0.04 1.23 0.07 -0.22 -1.00 0.00 0.00 179.01 179.13 2cue h LYS 24 N -0.32 0.00 0.00 2.33 3.64 -1.44 0.53 116.57 121.30 2cue h LYS 24 Ca -0.23 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.05 2cue h LYS 24 Cb 1.72 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.53 2cue h LYS 24 CO 0.11 0.00 -0.61 1.49 -2.27 0.00 0.00 179.45 178.17 2cue h GLU 25 N 0.00 0.00 0.18 1.90 4.57 -1.60 -3.31 114.58 116.32 2cue h GLU 25 Ca 0.04 0.00 -0.32 0.00 -1.18 0.00 0.00 59.36 57.91 2cue h GLU 25 Cb 0.19 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.79 2cue h GLU 25 CO -0.00 0.41 -1.48 0.35 -1.18 0.00 0.00 179.01 177.11 2cue h PHE 26 N 0.00 0.70 0.00 0.92 3.04 -0.96 -2.31 116.94 118.33 2cue h PHE 26 Ca -0.03 -0.51 0.00 0.00 3.98 0.00 0.00 57.97 61.41 2cue h PHE 26 Cb 1.37 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.85 2cue h PHE 26 CO 0.00 1.47 0.00 1.05 -2.02 0.00 0.00 178.31 178.81 2cue h GLU 27 N 0.10 0.00 0.00 1.11 4.11 -1.07 -2.76 114.58 116.07 2cue h GLU 27 Ca -0.24 0.00 -0.38 0.00 0.07 0.00 0.00 59.36 58.81 2cue h GLU 27 Cb 2.08 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 31.26 2cue h GLU 27 CO 0.22 0.00 -2.41 -2.13 0.07 0.00 0.00 179.01 174.76 2cue n ARG 28 N -2.54 0.60 -3.71 1.06 3.00 -1.23 -4.99 116.66 108.85 2cue n ARG 28 Ca -0.01 0.16 -0.12 0.00 -0.00 0.00 0.00 57.85 57.88 2cue n ARG 28 Cb 0.10 -1.48 -0.12 0.00 0.00 0.00 0.00 32.46 30.95 2cue n ARG 28 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 2cue s THR 29 N -2.49 -0.11 -0.63 5.15 -1.32 -0.87 -5.02 115.64 110.36 2cue s THR 29 Ca -0.34 0.15 0.26 0.00 -1.21 0.00 0.00 61.69 60.55 2cue s THR 29 Cb 0.09 -0.45 0.29 0.00 -1.51 0.00 0.00 72.50 70.92 2cue s THR 29 CO 0.55 0.06 1.76 0.45 -2.21 0.00 0.00 174.62 175.23 2cue h HIS 30 N 7.36 0.00 -2.63 9.09 3.86 -1.82 -3.35 115.15 127.65 2cue h HIS 30 Ca -0.36 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.25 2cue h HIS 30 Cb 1.16 0.00 -0.39 0.00 1.06 0.00 0.00 27.41 29.23 2cue h HIS 30 CO 0.33 0.00 -0.83 0.71 0.86 0.00 0.00 177.93 179.00 2cue s TYR 31 N -3.17 1.95 -0.43 2.45 2.02 -1.26 -4.95 117.35 113.96 2cue s TYR 31 Ca 0.09 -2.67 -0.28 0.00 -0.37 0.00 0.00 57.07 53.84 2cue s TYR 31 Cb 0.11 -1.55 -0.01 0.00 -0.40 0.00 0.00 41.96 40.11 2cue s TYR 31 CO 0.57 -0.73 1.75 -1.25 -1.57 0.00 0.00 175.55 174.32 2cue s PRO 32 N -0.44 3.15 0.97 -1.71 0.04 -1.26 -4.98 135.00 130.77 2cue s PRO 32 Ca 0.30 1.08 -0.14 0.00 0.04 0.00 0.00 61.00 62.27 2cue s PRO 32 Cb -0.00 -4.23 0.11 0.00 0.04 0.00 0.00 34.50 30.42 2cue s PRO 32 CO -0.18 -2.09 0.08 -0.25 0.04 0.00 0.00 177.00 174.60 2cue n ASP 33 N 10.82 -2.81 -0.03 6.66 8.00 -1.26 -4.01 116.55 133.93 2cue n ASP 33 Ca 0.21 -0.28 0.09 0.00 0.71 0.00 0.00 54.79 55.52 2cue n ASP 33 Cb 0.49 -0.74 0.49 0.00 -0.02 0.00 0.00 41.12 41.34 2cue n ASP 33 CO 0.00 0.00 0.00 1.62 -0.39 0.00 0.00 177.20 178.43 2cue h VAL 34 N -2.38 0.97 0.00 2.53 3.04 -1.99 0.14 116.25 118.56 2cue h VAL 34 Ca -0.27 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 2cue h VAL 34 Cb 0.82 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 30.61 2cue h VAL 34 CO 0.17 0.08 0.00 -0.26 -1.01 0.00 0.00 177.57 176.55 2cue h PHE 35 N 0.42 0.00 0.00 3.17 0.04 -2.00 -1.64 116.94 116.93 2cue h PHE 35 Ca 0.21 0.00 -0.18 0.00 2.80 0.00 0.00 57.97 60.80 2cue h PHE 35 Cb 0.31 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 38.43 2cue h PHE 35 CO -0.00 0.00 -1.26 0.00 -0.60 0.00 0.00 178.31 176.45 2cue n ALA 36 N -1.96 0.78 -0.12 2.45 0.00 0.40 -3.60 120.51 118.45 2cue n ALA 36 Ca 0.00 -0.63 0.08 0.00 0.00 0.00 0.00 53.44 52.89 2cue n ALA 36 Cb 0.23 -0.18 0.41 0.00 0.00 0.00 0.00 19.45 19.92 2cue n ALA 36 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2cue h ARG 37 N -1.00 0.59 0.33 0.00 3.08 -1.30 -0.12 114.38 115.96 2cue h ARG 37 Ca -0.27 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.73 2cue h ARG 37 Cb 1.10 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.02 2cue h ARG 37 CO -0.16 0.39 -0.16 0.93 -1.07 0.00 0.00 179.97 179.89 2cue h GLU 38 N 0.60 -0.43 -0.91 0.04 5.08 -1.49 0.25 114.58 117.72 2cue h GLU 38 Ca 0.28 0.03 0.05 0.00 -1.00 0.00 0.00 59.36 58.72 2cue h GLU 38 Cb 0.32 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.61 2cue h GLU 38 CO -0.09 -0.11 0.58 0.00 -1.00 0.00 0.00 179.01 178.39 2cue h ARG 39 N -0.81 1.05 -0.10 2.33 2.47 -1.54 -2.66 114.38 115.12 2cue h ARG 39 Ca -0.05 -0.06 -0.04 0.00 -1.26 0.00 0.00 59.98 58.57 2cue h ARG 39 Cb 0.52 -0.24 -0.00 0.00 -1.65 0.00 0.00 29.97 28.60 2cue h ARG 39 CO 0.08 0.69 -0.09 1.25 0.56 0.00 0.00 179.97 182.46 2cue h LEU 40 N 1.08 0.26 -1.39 3.04 5.85 -1.02 -2.44 115.31 120.69 2cue h LEU 40 Ca 0.38 -0.47 0.44 0.00 0.84 0.00 0.00 57.88 59.07 2cue h LEU 40 Cb 0.11 -0.07 -0.13 0.00 0.37 0.00 0.00 40.66 40.94 2cue h LEU 40 CO -0.15 0.68 0.85 0.00 -0.34 0.00 0.00 178.44 179.48 2cue h ALA 41 N 0.59 2.74 0.00 1.25 0.00 -0.14 1.88 119.26 125.58 2cue h ALA 41 Ca 0.02 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2cue h ALA 41 Cb 0.60 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2cue h ALA 41 CO 0.02 -1.39 -1.16 0.00 0.00 0.00 0.00 179.25 176.72 2cue h ALA 42 N 1.61 0.56 -0.10 0.00 0.00 -1.46 1.20 119.26 121.08 2cue h ALA 42 Ca 0.83 -0.34 -0.16 0.00 0.00 0.00 0.00 54.91 55.25 2cue h ALA 42 Cb 2.62 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 20.51 2cue h ALA 42 CO -0.44 0.37 -0.61 -0.22 0.00 0.00 0.00 179.25 178.35 2cue h LYS 43 N 0.00 0.36 -0.01 0.00 3.64 0.33 -3.24 116.57 117.65 2cue h LYS 43 Ca -0.06 -0.25 0.00 0.00 -1.27 0.00 0.00 60.65 59.07 2cue h LYS 43 Cb 1.23 0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2cue h LYS 43 CO 0.02 0.86 -0.07 0.44 -2.27 0.00 0.00 179.45 178.43 2cue n ILE 44 N -3.89 0.00 -2.64 2.00 -5.35 0.09 -4.99 119.36 104.59 2cue n ILE 44 Ca -0.03 -0.46 -0.11 0.00 -0.27 0.00 0.00 62.75 61.88 2cue n ILE 44 Cb 0.63 1.16 0.02 0.00 -1.74 0.00 0.00 39.64 39.70 2cue n ILE 44 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2cue n ASP 45 N 0.20 -3.73 -4.45 7.28 2.03 -0.46 -4.86 116.55 112.57 2cue n ASP 45 Ca 0.05 -0.14 -0.30 0.00 0.52 0.00 0.00 54.79 54.92 2cue n ASP 45 Cb 0.21 -2.61 -0.12 0.00 -0.72 0.00 0.00 41.12 37.87 2cue n ASP 45 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2cue s LEU 46 N -3.45 2.58 0.37 -2.67 1.43 0.40 -4.97 118.68 112.37 2cue s LEU 46 Ca 0.15 -0.55 -0.27 0.00 -1.03 0.00 0.00 54.13 52.44 2cue s LEU 46 Cb -0.07 -1.47 -0.09 0.00 0.03 0.00 0.00 46.19 44.59 2cue s LEU 46 CO 0.19 0.21 1.20 -2.16 0.23 0.00 0.00 176.35 176.02 2cue s PRO 47 N -1.84 4.20 0.31 1.29 0.04 -1.26 -4.06 135.00 133.68 2cue s PRO 47 Ca 0.16 1.95 0.15 0.00 0.04 0.00 0.00 61.00 63.30 2cue s PRO 47 Cb -0.10 -2.85 0.83 0.00 0.04 0.00 0.00 34.50 32.42 2cue s PRO 47 CO 0.07 -0.23 1.40 -1.91 0.04 0.00 0.00 177.00 176.37 2cue n GLU 48 N 0.40 0.10 0.03 4.56 2.13 -1.26 0.11 120.64 126.72 2cue n GLU 48 Ca 0.02 0.58 -0.10 0.00 0.66 0.00 0.00 57.16 58.33 2cue n GLU 48 Cb 0.45 -2.03 -0.13 0.00 0.27 0.00 0.00 31.44 29.99 2cue n GLU 48 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2cue h ALA 49 N 1.46 0.50 -0.01 4.31 0.00 -1.95 -3.32 119.26 120.25 2cue h ALA 49 Ca 0.00 -1.19 -0.00 0.00 0.00 0.00 0.00 54.91 53.72 2cue h ALA 49 Cb 0.39 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 2cue h ALA 49 CO 0.00 1.36 -0.01 0.00 0.00 0.00 0.00 179.25 180.60 2cue h ARG 50 N 0.02 0.02 -0.40 0.00 2.47 -0.68 -3.28 114.38 112.52 2cue h ARG 50 Ca -0.18 -0.01 0.08 0.00 -1.26 0.00 0.00 59.98 58.61 2cue h ARG 50 Cb 1.93 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 30.16 2cue h ARG 50 CO 0.12 0.54 -0.33 0.82 0.56 0.00 0.00 179.97 181.67 2cue h ILE 51 N -0.49 0.22 -0.94 2.04 2.04 -1.67 0.24 117.51 118.95 2cue h ILE 51 Ca 0.00 0.00 0.29 0.00 1.00 0.00 0.00 64.86 66.15 2cue h ILE 51 Cb 0.53 0.22 -0.16 0.00 -0.74 0.00 0.00 36.82 36.67 2cue h ILE 51 CO 0.00 0.00 0.26 1.56 0.00 0.00 0.00 178.15 179.97 2cue h GLN 52 N -0.25 0.12 0.57 2.37 4.20 -1.66 0.12 115.11 120.58 2cue h GLN 52 Ca 0.17 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.85 2cue h GLN 52 Cb 0.54 -0.03 0.01 0.00 0.30 0.00 0.00 27.48 28.30 2cue h GLN 52 CO -0.54 0.08 -0.27 0.28 -0.67 0.00 0.00 178.83 177.70 2cue h VAL 53 N 0.13 0.00 -1.51 -0.54 2.07 -1.06 -1.03 116.25 114.31 2cue h VAL 53 Ca 0.63 -0.43 0.44 0.00 0.82 0.00 0.00 66.70 68.16 2cue h VAL 53 Cb 1.40 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 2cue h VAL 53 CO -0.75 0.00 1.09 -0.25 0.02 0.00 0.00 177.57 177.69 2cue h TRP 54 N -1.19 0.00 0.22 1.57 7.01 -0.12 0.65 115.95 124.09 2cue h TRP 54 Ca -0.08 0.00 -0.35 0.00 2.11 0.00 0.00 58.89 60.57 2cue h TRP 54 Cb 0.58 0.00 0.02 0.00 -2.10 0.00 0.00 29.16 27.67 2cue h TRP 54 CO 0.00 0.00 -1.65 0.74 -2.79 0.00 0.00 178.44 174.74 2cue h PHE 55 N 0.00 0.84 0.13 2.65 -1.00 -0.94 -3.20 116.94 115.42 2cue h PHE 55 Ca 0.72 -0.61 0.02 0.00 2.81 0.00 0.00 57.97 60.90 2cue h PHE 55 Cb 2.90 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 42.39 2cue h PHE 55 CO 0.00 1.64 -0.26 1.03 -1.61 0.00 0.00 178.31 179.10 2cue h SER 56 N 0.13 -0.75 -0.78 2.17 0.87 0.17 -1.38 113.55 113.98 2cue h SER 56 Ca -0.31 0.09 0.04 0.00 -1.23 0.00 0.00 61.79 60.38 2cue h SER 56 Cb 2.13 0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 64.33 2cue h SER 56 CO 0.22 -0.36 0.51 0.78 -0.53 0.00 0.00 176.83 177.46 2cue h ASN 57 N -0.48 0.80 0.15 6.23 2.35 -1.51 -2.60 115.58 120.52 2cue h ASN 57 Ca 0.03 -0.01 -0.00 0.00 -0.55 0.00 0.00 56.30 55.77 2cue h ASN 57 Cb 0.50 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 2cue h ASN 57 CO -0.14 0.54 -0.11 0.03 -1.65 0.00 0.00 177.43 176.10 2cue h ARG 58 N 0.92 -0.26 -0.96 0.81 2.47 -1.36 -2.28 114.38 113.73 2cue h ARG 58 Ca 0.32 0.02 0.29 0.00 -1.26 0.00 0.00 59.98 59.34 2cue h ARG 58 Cb 0.10 0.06 -0.15 0.00 -1.65 0.00 0.00 29.97 28.33 2cue h ARG 58 CO -0.10 -0.17 0.44 0.00 0.56 0.00 0.00 179.97 180.70 2cue h ARG 59 N -0.26 0.29 -0.22 0.04 3.08 -0.87 0.87 114.38 117.30 2cue h ARG 59 Ca -0.01 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 59.90 2cue h ARG 59 Cb 0.23 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2cue h ARG 59 CO -0.00 0.19 -0.39 0.00 -1.07 0.00 0.00 179.97 178.69 2cue h ALA 60 N 1.82 0.91 0.00 0.04 0.00 -1.42 0.22 119.26 120.83 2cue h ALA 60 Ca 0.66 -0.43 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 2cue h ALA 60 Cb 1.44 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2cue h ALA 60 CO -0.62 0.63 -0.68 -0.22 0.00 0.00 0.00 179.25 178.36 2cue h LYS 61 N 0.42 0.00 0.13 0.00 3.64 0.10 -2.05 116.57 118.81 2cue h LYS 61 Ca 0.04 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.17 2cue h LYS 61 Cb 0.87 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.70 2cue h LYS 61 CO 0.07 0.68 -1.23 2.35 -2.27 0.00 0.00 179.45 179.06 2cue h TRP 62 N 0.00 0.50 -0.42 1.91 7.01 0.13 -2.67 115.95 122.41 2cue h TRP 62 Ca -0.01 -0.36 -0.09 0.00 2.11 0.00 0.00 58.89 60.54 2cue h TRP 62 Cb 1.33 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 28.35 2cue h TRP 62 CO 0.00 1.48 -0.10 0.00 -2.79 0.00 0.00 178.44 177.03 2cue h ARG 63 N -0.31 0.75 -0.12 2.65 3.08 -0.65 0.19 114.38 119.97 2cue h ARG 63 Ca -0.25 -0.24 -0.23 0.00 0.07 0.00 0.00 59.98 59.33 2cue h ARG 63 Cb 1.74 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 31.74 2cue h ARG 63 CO 0.10 0.83 -0.83 0.07 -1.07 0.00 0.00 179.97 179.06 2cue h ARG 64 N 0.68 0.76 0.15 0.04 0.11 -1.50 -3.33 114.38 111.29 2cue h ARG 64 Ca 0.12 -0.66 -0.01 0.00 0.10 0.00 0.00 59.98 59.53 2cue h ARG 64 Cb 0.57 0.15 0.00 0.00 1.11 0.00 0.00 29.97 31.80 2cue h ARG 64 CO 0.04 1.26 -0.07 0.93 0.10 0.00 0.00 179.97 182.22 2cue h GLU 65 N 0.50 -0.20 -1.02 0.08 5.08 -1.34 -2.88 114.58 114.80 2cue h GLU 65 Ca -0.07 0.01 0.36 0.00 -1.00 0.00 0.00 59.36 58.67 2cue h GLU 65 Cb 1.46 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 30.65 2cue h GLU 65 CO 0.17 0.18 0.65 -1.91 -1.00 0.00 0.00 179.01 177.09 2cue n GLU 66 N -4.99 -0.03 -0.05 2.33 0.00 0.04 0.39 120.64 118.32 2cue n GLU 66 Ca -0.09 0.99 -0.06 0.00 0.00 0.00 0.00 57.16 58.00 2cue n GLU 66 Cb 0.24 -1.92 -0.06 0.00 0.00 0.00 0.00 31.44 29.71 2cue n GLU 66 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.13 178.00 2cue h LYS 67 N 0.00 -0.01 -1.11 5.31 1.57 -1.65 -3.25 116.57 117.43 2cue h LYS 67 Ca 0.68 0.00 0.32 0.00 -1.87 0.00 0.00 60.65 59.78 2cue h LYS 67 Cb 2.13 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 34.40 2cue h LYS 67 CO -0.40 0.42 0.79 -0.07 -0.57 0.00 0.00 179.45 179.62 2cue h LEU 68 N -1.00 0.04 -0.19 2.94 3.38 0.15 0.17 115.31 120.81 2cue h LEU 68 Ca -0.00 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2cue h LEU 68 Cb 0.44 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2cue h LEU 68 CO 0.00 0.01 -0.03 -0.09 0.09 0.00 0.00 178.44 178.42 2cue h ARG 69 N 0.04 0.36 -0.51 1.13 2.43 -0.86 -2.98 114.38 113.99 2cue h ARG 69 Ca 0.54 -0.13 0.03 0.00 -0.81 0.00 0.00 59.98 59.60 2cue h ARG 69 Cb 2.07 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 31.57 2cue h ARG 69 CO -0.03 0.60 0.34 -0.97 -1.51 0.00 0.00 179.97 178.39 2cue h ASN 70 N 0.08 0.50 -0.63 -3.80 -1.24 -0.70 -2.17 115.58 107.63 2cue h ASN 70 Ca 0.05 -0.01 0.09 0.00 0.71 0.00 0.00 56.30 57.14 2cue h ASN 70 Cb 0.46 -0.12 -0.07 0.00 0.73 0.00 0.00 38.32 39.33 2cue h ASN 70 CO 0.02 0.35 0.27 1.56 -1.29 0.00 0.00 177.43 178.33 2cue h GLN 71 N 0.58 0.47 -0.02 6.67 1.08 -1.30 -0.50 115.11 122.10 2cue h GLN 71 Ca 0.20 -0.03 -0.09 0.00 -1.45 0.00 0.00 58.65 57.29 2cue h GLN 71 Cb 0.08 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.40 2cue h GLN 71 CO -0.05 0.31 -0.39 -0.09 -0.95 0.00 0.00 178.83 177.66 2cue h ARG 72 N 0.48 0.04 -6.97 1.46 9.65 -1.42 -3.43 114.38 114.19 2cue h ARG 72 Ca 0.31 -0.01 -0.55 0.00 -1.10 0.00 0.00 59.98 58.62 2cue h ARG 72 Cb 0.35 -0.00 0.18 0.00 -1.39 0.00 0.00 29.97 29.10 2cue h ARG 72 CO -0.28 0.42 0.12 -2.13 2.80 0.00 0.00 179.97 180.91 2cue n ARG 73 N -4.07 0.51 -4.30 0.20 3.00 -0.20 -2.37 116.66 109.44 2cue n ARG 73 Ca -0.02 0.23 -0.37 0.00 -0.00 0.00 0.00 57.85 57.70 2cue n ARG 73 Cb 0.43 -2.24 -0.08 0.00 0.00 0.00 0.00 32.46 30.57 2cue n ARG 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2cue n GLN 74 N -1.92 -0.79 -0.36 -0.14 0.00 -1.26 -4.75 117.38 108.15 2cue n GLN 74 Ca 0.13 0.12 0.04 0.00 0.00 0.00 0.00 57.00 57.29 2cue n GLN 74 Cb 0.49 -4.09 0.12 0.00 0.00 0.00 0.00 30.24 26.76 2cue n GLN 74 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2cue n SER 75 N -2.36 -0.42 0.00 2.61 7.64 -1.00 -4.89 113.62 115.20 2cue n SER 75 Ca -0.01 1.71 0.00 0.00 1.01 0.00 0.00 58.87 61.58 2cue n SER 75 Cb 0.49 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2cue n SER 75 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cue n GLY 76 N -1.59 -0.55 0.01 0.23 0.00 -1.26 -4.95 105.19 97.08 2cue n GLY 76 Ca 0.15 -0.81 0.07 0.00 0.00 0.00 0.00 46.02 45.43 2cue n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cue n PRO 77 N 0.00 0.02 -0.03 1.61 -0.04 -1.26 -3.07 135.00 132.23 2cue n PRO 77 Ca 0.00 0.27 -0.14 0.00 -0.04 0.00 0.00 63.50 63.60 2cue n PRO 77 Cb 0.00 -1.54 -0.10 0.00 -0.04 0.00 0.00 33.50 31.82 2cue n PRO 77 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2cue h SER 78 N 0.00 0.14 0.19 3.54 0.87 -1.99 -3.34 113.55 112.96 2cue h SER 78 Ca 0.00 -0.64 -0.01 0.00 -1.23 0.00 0.00 61.79 59.91 2cue h SER 78 Cb 0.26 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.18 2cue h SER 78 CO 0.00 0.76 -0.09 -1.28 -0.53 0.00 0.00 176.83 175.69 2cue h SER 79 N -0.47 -0.21 0.00 6.23 0.87 -1.94 -3.53 113.55 114.50 2cue h SER 79 Ca -0.01 -0.31 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2cue h SER 79 Cb 0.75 0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.76 2cue h SER 79 CO 0.02 0.25 0.00 0.61 -0.53 0.00 0.00 176.83 177.18