#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cue n SER 2 N 0.00 0.07 -3.76 1.61 3.41 -1.26 -5.04 113.62 108.65 2cue n SER 2 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.34 2cue n SER 2 Cb 0.00 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.00 2cue n SER 2 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2cue n SER 3 N -2.70 -5.00 -2.92 4.04 7.64 -1.26 -4.92 113.62 108.50 2cue n SER 3 Ca 0.00 -0.68 -0.30 0.00 1.01 0.00 0.00 58.87 58.89 2cue n SER 3 Cb 0.23 -4.40 -0.01 0.00 -1.01 0.00 0.00 64.21 59.02 2cue n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cue n GLY 4 N -1.78 5.80 2.97 0.23 0.00 -1.26 -5.01 105.19 106.13 2cue n GLY 4 Ca -0.01 -2.73 -0.16 0.00 0.00 0.00 0.00 46.02 43.12 2cue n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cue s SER 5 N -2.97 0.63 0.31 1.61 0.15 -1.26 -5.16 113.70 107.02 2cue s SER 5 Ca 0.47 -0.14 -0.03 0.00 0.70 0.00 0.00 55.95 56.96 2cue s SER 5 Cb 0.31 -0.06 -0.01 0.00 -1.71 0.00 0.00 66.02 64.56 2cue s SER 5 CO -0.17 0.04 0.41 -0.44 1.20 0.00 0.00 173.24 174.28 2cue s SER 6 N -0.25 0.79 0.00 5.45 0.01 -1.26 -5.08 113.70 113.35 2cue s SER 6 Ca 0.01 -1.43 0.00 0.00 1.31 0.00 0.00 55.95 55.84 2cue s SER 6 Cb -0.03 0.61 0.00 0.00 0.21 0.00 0.00 66.02 66.81 2cue s SER 6 CO -0.00 -1.20 0.00 0.61 0.41 0.00 0.00 173.24 173.06 2cue n GLY 7 N -0.51 1.00 4.08 3.44 0.00 -1.26 -4.98 105.19 106.95 2cue n GLY 7 Ca 0.01 -1.06 -0.33 0.00 0.00 0.00 0.00 46.02 44.64 2cue n GLY 7 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2cue n GLN 8 N 0.00 -4.20 -4.17 1.61 6.02 -1.26 -4.95 117.38 110.42 2cue n GLN 8 Ca 0.00 0.47 -0.16 0.00 -0.01 0.00 0.00 57.00 57.31 2cue n GLN 8 Cb 0.00 -5.25 -0.14 0.00 1.02 0.00 0.00 30.24 25.87 2cue n GLN 8 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2cue s ARG 9 N -6.78 0.49 -0.21 -1.09 0.52 -1.26 -5.14 118.95 105.48 2cue s ARG 9 Ca 0.67 -0.32 -0.08 0.00 -0.52 0.00 0.00 55.73 55.49 2cue s ARG 9 Cb -0.35 -0.43 0.09 0.00 0.52 0.00 0.00 34.95 34.77 2cue s ARG 9 CO 0.88 0.11 0.46 -0.80 0.02 0.00 0.00 175.30 175.98 2cue s ASN 10 N -0.41 -0.46 -0.14 0.23 0.01 -1.26 -5.15 114.94 107.76 2cue s ASN 10 Ca 0.00 1.08 -0.03 0.00 -0.71 0.00 0.00 52.86 53.19 2cue s ASN 10 Cb -0.04 1.36 -0.03 0.00 0.41 0.00 0.00 41.25 42.95 2cue s ASN 10 CO -0.00 -0.22 -0.02 -0.13 -1.51 0.00 0.00 177.10 175.22 2cue s ARG 11 N 2.35 3.48 -0.14 -0.60 3.00 -1.26 -5.00 118.95 120.78 2cue s ARG 11 Ca -0.04 -0.47 -0.02 0.00 0.00 0.00 0.00 55.73 55.19 2cue s ARG 11 Cb -0.11 -2.90 -0.02 0.00 0.00 0.00 0.00 34.95 31.92 2cue s ARG 11 CO -0.14 0.39 2.58 0.25 0.00 0.00 0.00 175.30 178.38 2cue n THR 12 N 3.09 2.64 -0.25 0.02 -2.24 -1.26 -4.53 114.28 111.76 2cue n THR 12 Ca -0.18 -1.40 0.12 0.00 -2.27 0.00 0.00 64.05 60.32 2cue n THR 12 Cb 0.53 -1.62 0.39 0.00 -2.10 0.00 0.00 70.33 67.53 2cue n THR 12 CO 0.00 0.00 0.00 -1.28 -0.57 0.00 0.00 175.07 173.22 2cue h SER 13 N 1.96 0.62 -4.30 3.42 0.87 -2.07 -3.42 113.55 110.64 2cue h SER 13 Ca 0.17 0.03 -0.47 0.00 -1.23 0.00 0.00 61.79 60.30 2cue h SER 13 Cb 1.09 -0.09 0.12 0.00 -0.44 0.00 0.00 62.40 63.08 2cue h SER 13 CO 0.36 0.33 0.32 -0.36 -0.53 0.00 0.00 176.83 176.95 2cue s PHE 14 N -5.65 2.64 0.19 2.24 0.40 -1.26 -5.08 117.98 111.46 2cue s PHE 14 Ca -0.10 0.90 0.11 0.00 -0.60 0.00 0.00 56.93 57.24 2cue s PHE 14 Cb 0.22 -3.35 -0.04 0.00 0.51 0.00 0.00 43.02 40.35 2cue s PHE 14 CO 0.78 -2.16 -0.24 0.95 0.70 0.00 0.00 175.22 175.25 2cue s THR 15 N -3.29 2.32 0.49 0.64 -4.23 -1.26 -5.00 115.64 105.31 2cue s THR 15 Ca 0.63 -2.02 0.28 0.00 -1.18 0.00 0.00 61.69 59.39 2cue s THR 15 Cb -0.14 -2.10 0.46 0.00 1.34 0.00 0.00 72.50 72.05 2cue s THR 15 CO 0.53 -0.13 1.85 -0.61 -0.54 0.00 0.00 174.62 175.73 2cue h GLN 16 N 3.22 0.14 0.00 3.99 -0.00 -1.98 0.71 115.11 121.18 2cue h GLN 16 Ca -0.46 -0.01 -0.06 0.00 -0.00 0.00 0.00 58.65 58.12 2cue h GLN 16 Cb 1.21 -0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.65 2cue h GLN 16 CO 0.48 0.09 -0.30 0.93 0.00 0.00 0.00 178.83 180.03 2cue h GLU 17 N 0.14 0.00 0.10 1.69 5.08 -2.01 -2.27 114.58 117.32 2cue h GLU 17 Ca 0.48 0.00 -0.36 0.00 -1.00 0.00 0.00 59.36 58.48 2cue h GLU 17 Cb 1.65 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.87 2cue h GLU 17 CO -0.08 0.30 -2.03 1.04 -1.00 0.00 0.00 179.01 177.23 2cue n GLN 18 N -4.00 0.74 -0.15 2.33 6.02 0.22 -4.05 117.38 118.49 2cue n GLN 18 Ca -0.02 0.25 0.04 0.00 -0.01 0.00 0.00 57.00 57.26 2cue n GLN 18 Cb 0.36 -1.69 0.34 0.00 1.02 0.00 0.00 30.24 30.26 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 0.06 1.10 -0.58 5.09 2.04 -0.69 0.25 117.51 124.78 2cue h ILE 19 Ca -0.43 -0.27 -0.02 0.00 1.00 0.00 0.00 64.86 65.14 2cue h ILE 19 Cb 2.02 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 2cue h ILE 19 CO 0.07 0.14 0.29 1.05 0.00 0.00 0.00 178.15 179.70 2cue h GLU 20 N 0.79 0.82 0.00 2.37 4.11 -1.57 0.13 114.58 121.23 2cue h GLU 20 Ca 0.26 -0.11 -0.18 0.00 0.07 0.00 0.00 59.36 59.40 2cue h GLU 20 Cb 0.06 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 2cue h GLU 20 CO -0.07 0.66 -0.87 0.00 0.07 0.00 0.00 179.01 178.79 2cue h ALA 21 N 1.12 0.52 0.00 1.06 0.00 -1.52 -2.89 119.26 117.54 2cue h ALA 21 Ca 0.20 -0.79 -0.08 0.00 0.00 0.00 0.00 54.91 54.23 2cue h ALA 21 Cb 0.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2cue h ALA 21 CO -0.03 1.09 -0.38 -0.07 0.00 0.00 0.00 179.25 179.86 2cue h LEU 22 N 0.00 0.00 0.19 0.00 3.38 -0.23 -3.06 115.31 115.59 2cue h LEU 22 Ca -0.01 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 57.72 2cue h LEU 22 Cb 1.58 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.36 2cue h LEU 22 CO 0.11 0.38 -1.07 -0.33 0.09 0.00 0.00 178.44 177.63 2cue h GLU 23 N 0.00 0.40 -0.54 1.13 5.08 -0.74 -2.95 114.58 116.95 2cue h GLU 23 Ca -0.00 -0.68 0.01 0.00 -1.00 0.00 0.00 59.36 57.69 2cue h GLU 23 Cb 1.07 0.25 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 2cue h GLU 23 CO 0.05 1.32 0.36 -0.22 -1.00 0.00 0.00 179.01 179.52 2cue h LYS 24 N -0.17 0.69 0.00 2.33 3.64 -1.54 0.12 116.57 121.64 2cue h LYS 24 Ca -0.19 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.13 2cue h LYS 24 Cb 1.85 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 33.51 2cue h LYS 24 CO 0.20 0.46 -0.12 1.49 -2.27 0.00 0.00 179.45 179.22 2cue h GLU 25 N 0.72 0.00 0.20 1.90 4.57 -1.62 -3.27 114.58 117.08 2cue h GLU 25 Ca 0.20 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 58.03 2cue h GLU 25 Cb -0.05 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.55 2cue h GLU 25 CO -0.05 0.12 -1.68 0.35 -1.18 0.00 0.00 179.01 176.57 2cue h PHE 26 N 0.00 0.78 0.00 0.92 3.04 -0.96 -2.55 116.94 118.17 2cue h PHE 26 Ca -0.00 -0.57 0.00 0.00 3.98 0.00 0.00 57.97 61.38 2cue h PHE 26 Cb 1.01 -0.03 0.00 0.00 2.56 0.00 0.00 35.95 39.48 2cue h PHE 26 CO 0.00 1.64 0.00 1.05 -2.02 0.00 0.00 178.31 178.98 2cue h GLU 27 N 0.12 0.00 0.00 1.11 4.11 -0.89 -2.39 114.58 116.64 2cue h GLU 27 Ca -0.32 0.00 -0.37 0.00 0.07 0.00 0.00 59.36 58.74 2cue h GLU 27 Cb 2.12 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 31.30 2cue h GLU 27 CO 0.20 0.00 -2.41 -2.13 0.07 0.00 0.00 179.01 174.74 2cue n ARG 28 N -2.61 0.65 -3.68 1.06 0.63 -1.24 -4.99 116.66 106.48 2cue n ARG 28 Ca -0.02 0.13 -0.10 0.00 -0.92 0.00 0.00 57.85 56.94 2cue n ARG 28 Cb 0.06 -1.50 -0.10 0.00 0.45 0.00 0.00 32.46 31.37 2cue n ARG 28 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2cue s THR 29 N -2.49 -0.21 -0.67 5.15 -1.32 -0.90 -5.02 115.64 110.18 2cue s THR 29 Ca -0.31 0.11 0.26 0.00 -1.21 0.00 0.00 61.69 60.53 2cue s THR 29 Cb 0.08 -0.66 0.28 0.00 -1.51 0.00 0.00 72.50 70.70 2cue s THR 29 CO 0.60 0.04 1.76 1.41 -2.21 0.00 0.00 174.62 176.23 2cue n HIS 30 N 4.59 0.95 -3.70 9.09 8.25 -1.25 -4.01 115.22 129.15 2cue n HIS 30 Ca -0.19 0.29 -0.28 0.00 -0.26 0.00 0.00 57.72 57.29 2cue n HIS 30 Cb 0.54 -0.98 -0.11 0.00 1.12 0.00 0.00 29.99 30.56 2cue n HIS 30 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2cue s TYR 31 N -3.15 2.62 -0.52 4.41 2.02 -1.26 -4.92 117.35 116.55 2cue s TYR 31 Ca 0.09 -2.95 -0.27 0.00 -0.37 0.00 0.00 57.07 53.57 2cue s TYR 31 Cb 0.12 -2.02 -0.02 0.00 -0.40 0.00 0.00 41.96 39.64 2cue s TYR 31 CO 0.56 -0.65 1.81 -1.25 -1.57 0.00 0.00 175.55 174.45 2cue s PRO 32 N -0.88 2.88 1.07 -1.71 0.04 -1.26 -4.98 135.00 130.15 2cue s PRO 32 Ca 0.28 0.85 -0.16 0.00 0.04 0.00 0.00 61.00 62.01 2cue s PRO 32 Cb -0.01 -4.31 0.17 0.00 0.04 0.00 0.00 34.50 30.38 2cue s PRO 32 CO -0.18 -2.42 0.27 -0.25 0.04 0.00 0.00 177.00 174.46 2cue n ASP 33 N 11.84 -2.97 -0.17 6.66 9.92 -1.26 -3.84 116.55 136.73 2cue n ASP 33 Ca 0.21 -0.37 0.15 0.00 -0.53 0.00 0.00 54.79 54.25 2cue n ASP 33 Cb 0.50 -0.82 0.50 0.00 -0.64 0.00 0.00 41.12 40.67 2cue n ASP 33 CO 0.00 0.00 0.00 1.62 0.13 0.00 0.00 177.20 178.95 2cue h VAL 34 N -2.62 0.79 0.00 2.53 3.04 -1.98 0.43 116.25 118.44 2cue h VAL 34 Ca -0.32 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 2cue h VAL 34 Cb 0.94 0.33 0.00 0.00 -2.01 0.00 0.00 31.29 30.54 2cue h VAL 34 CO 0.21 0.08 0.00 -0.26 -1.01 0.00 0.00 177.57 176.58 2cue h PHE 35 N 0.43 0.00 0.00 3.17 0.04 -1.99 -0.87 116.94 117.71 2cue h PHE 35 Ca 0.38 0.00 -0.25 0.00 2.80 0.00 0.00 57.97 60.90 2cue h PHE 35 Cb 0.86 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.98 2cue h PHE 35 CO -0.00 0.00 -1.52 0.00 -0.60 0.00 0.00 178.31 176.19 2cue n ALA 36 N -2.09 0.87 -0.12 2.45 0.00 0.13 -3.54 120.51 118.22 2cue n ALA 36 Ca -0.00 -0.68 0.01 0.00 0.00 0.00 0.00 53.44 52.77 2cue n ALA 36 Cb 0.25 -0.25 0.31 0.00 0.00 0.00 0.00 19.45 19.76 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 0.79 0.50 0.00 3.08 -1.09 -0.44 114.38 116.23 2cue h ARG 37 Ca -0.38 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.58 2cue h ARG 37 Cb 1.27 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.16 2cue h ARG 37 CO -0.23 0.55 -0.24 0.93 -1.07 0.00 0.00 179.97 179.91 2cue h GLU 38 N 0.81 -0.64 -0.46 0.04 5.08 -1.35 0.80 114.58 118.85 2cue h GLU 38 Ca 0.21 0.04 0.07 0.00 -1.00 0.00 0.00 59.36 58.69 2cue h GLU 38 Cb -0.04 0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 2cue h GLU 38 CO -0.04 -0.35 0.12 0.00 -1.00 0.00 0.00 179.01 177.74 2cue h ARG 39 N -1.04 0.26 -0.57 2.33 2.47 -1.58 -2.04 114.38 114.21 2cue h ARG 39 Ca -0.07 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.60 2cue h ARG 39 Cb 0.59 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.83 2cue h ARG 39 CO 0.11 0.17 0.20 1.25 0.56 0.00 0.00 179.97 182.27 2cue h LEU 40 N 0.27 0.81 -0.93 3.04 5.85 -1.12 -2.40 115.31 120.82 2cue h LEU 40 Ca 0.22 -0.19 0.27 0.00 0.84 0.00 0.00 57.88 59.02 2cue h LEU 40 Cb 0.26 -0.21 -0.14 0.00 0.37 0.00 0.00 40.66 40.94 2cue h LEU 40 CO -0.27 0.78 0.37 0.00 -0.34 0.00 0.00 178.44 178.99 2cue h ALA 41 N 1.06 1.53 0.00 1.25 0.00 -0.09 1.18 119.26 124.20 2cue h ALA 41 Ca 0.19 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.31 2cue h ALA 41 Cb 0.24 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2cue h ALA 41 CO -0.01 -0.49 -0.27 0.00 0.00 0.00 0.00 179.25 178.48 2cue h ALA 42 N 1.80 0.84 0.09 0.00 0.00 -1.33 0.67 119.26 121.33 2cue h ALA 42 Ca 0.62 0.00 -0.26 0.00 0.00 0.00 0.00 54.91 55.27 2cue h ALA 42 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2cue h ALA 42 CO -0.63 0.00 -1.15 -0.22 0.00 0.00 0.00 179.25 177.25 2cue h LYS 43 N 0.00 0.31 -0.13 0.00 3.64 0.18 -3.32 116.57 117.24 2cue h LYS 43 Ca 0.00 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2cue h LYS 43 Cb 0.84 0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 2cue h LYS 43 CO 0.00 1.18 0.00 0.44 -2.27 0.00 0.00 179.45 178.80 2cue n ILE 44 N -3.60 0.86 -3.66 2.00 -5.35 0.39 -4.99 119.36 105.01 2cue n ILE 44 Ca -0.08 -0.93 -0.24 0.00 -0.27 0.00 0.00 62.75 61.23 2cue n ILE 44 Cb 0.96 0.58 0.06 0.00 -1.74 0.00 0.00 39.64 39.51 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 -0.01 -4.46 -4.35 7.28 -0.08 0.31 -4.90 116.55 110.35 2cue n ASP 45 Ca 0.05 -0.66 -0.30 0.00 -1.51 0.00 0.00 54.79 52.37 2cue n ASP 45 Cb 0.30 -4.62 -0.14 0.00 2.34 0.00 0.00 41.12 38.99 2cue n ASP 45 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 2cue s LEU 46 N -7.04 2.20 0.28 -2.67 1.43 0.21 -4.99 118.68 108.09 2cue s LEU 46 Ca 0.42 -0.62 -0.29 0.00 -1.03 0.00 0.00 54.13 52.60 2cue s LEU 46 Cb -0.20 -1.26 -0.10 0.00 0.03 0.00 0.00 46.19 44.67 2cue s LEU 46 CO 0.77 0.24 1.24 -2.16 0.23 0.00 0.00 176.35 176.67 2cue s PRO 47 N -1.42 4.45 0.57 1.29 0.04 -1.26 -4.21 135.00 134.46 2cue s PRO 47 Ca 0.12 2.05 0.20 0.00 0.04 0.00 0.00 61.00 63.42 2cue s PRO 47 Cb -0.10 -3.14 1.10 0.00 0.04 0.00 0.00 34.50 32.40 2cue s PRO 47 CO 0.03 -0.08 1.59 1.49 0.04 0.00 0.00 177.00 180.06 2cue h GLU 48 N 3.99 0.00 0.17 4.56 4.81 -1.94 0.55 114.58 126.72 2cue h GLU 48 Ca -0.47 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 58.46 2cue h GLU 48 Cb 1.22 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.61 2cue h GLU 48 CO 0.69 0.00 -1.32 0.00 -0.73 0.00 0.00 179.01 177.64 2cue h ALA 49 N 1.04 0.02 0.32 2.92 0.00 -1.95 -3.30 119.26 118.31 2cue h ALA 49 Ca 0.00 -0.88 -0.02 0.00 0.00 0.00 0.00 54.91 54.01 2cue h ALA 49 Cb 0.90 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2cue h ALA 49 CO 0.00 0.89 -0.15 0.00 0.00 0.00 0.00 179.25 179.99 2cue h ARG 50 N 0.10 -0.42 -0.91 0.00 2.47 -0.26 -3.15 114.38 112.21 2cue h ARG 50 Ca -0.17 0.03 0.26 0.00 -1.26 0.00 0.00 59.98 58.83 2cue h ARG 50 Cb 2.04 0.09 -0.16 0.00 -1.65 0.00 0.00 29.97 30.30 2cue h ARG 50 CO 0.23 -0.10 0.21 0.82 0.56 0.00 0.00 179.97 181.68 2cue h ILE 51 N -0.77 0.21 -0.52 2.04 2.04 -1.65 0.29 117.51 119.15 2cue h ILE 51 Ca -0.04 -0.05 0.10 0.00 1.00 0.00 0.00 64.86 65.87 2cue h ILE 51 Cb 0.51 0.06 -0.09 0.00 -0.74 0.00 0.00 36.82 36.56 2cue h ILE 51 CO 0.07 0.03 -0.01 1.56 0.00 0.00 0.00 178.15 179.80 2cue h GLN 52 N 0.14 0.11 0.54 2.37 4.20 -1.62 -0.84 115.11 120.01 2cue h GLN 52 Ca 0.59 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.27 2cue h GLN 52 Cb 1.24 -0.02 0.01 0.00 0.30 0.00 0.00 27.48 29.00 2cue h GLN 52 CO -0.73 0.07 -0.26 0.28 -0.67 0.00 0.00 178.83 177.52 2cue h VAL 53 N 0.11 0.00 -1.22 -0.54 2.07 -0.49 0.02 116.25 116.19 2cue h VAL 53 Ca 0.27 -0.18 0.44 0.00 0.82 0.00 0.00 66.70 68.04 2cue h VAL 53 Cb 0.41 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.02 2cue h VAL 53 CO -0.45 0.00 0.74 -0.25 0.02 0.00 0.00 177.57 177.64 2cue h TRP 54 N -0.91 0.65 0.11 1.57 7.01 -1.18 1.28 115.95 124.49 2cue h TRP 54 Ca -0.07 0.03 -0.28 0.00 2.11 0.00 0.00 58.89 60.68 2cue h TRP 54 Cb 0.55 -0.15 0.02 0.00 -2.10 0.00 0.00 29.16 27.48 2cue h TRP 54 CO 0.05 -0.33 -1.20 0.74 -2.79 0.00 0.00 178.44 174.91 2cue h PHE 55 N 0.04 0.77 -0.31 2.65 -1.00 -1.05 -2.70 116.94 115.34 2cue h PHE 55 Ca 0.85 -0.50 0.00 0.00 2.81 0.00 0.00 57.97 61.14 2cue h PHE 55 Cb 2.52 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 42.00 2cue h PHE 55 CO -0.01 1.36 0.20 1.03 -1.61 0.00 0.00 178.31 179.28 2cue h SER 56 N 0.19 0.35 0.02 2.17 0.87 0.36 -2.15 113.55 115.36 2cue h SER 56 Ca -0.16 -0.01 -0.13 0.00 -1.23 0.00 0.00 61.79 60.27 2cue h SER 56 Cb 1.88 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 63.75 2cue h SER 56 CO 0.22 0.25 -0.40 0.78 -0.53 0.00 0.00 176.83 177.15 2cue h ASN 57 N 0.42 0.51 0.15 6.23 2.35 -1.18 -3.21 115.58 120.84 2cue h ASN 57 Ca 0.11 -0.22 0.01 0.00 -0.55 0.00 0.00 56.30 55.65 2cue h ASN 57 Cb -0.04 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 2cue h ASN 57 CO -0.03 0.86 -0.20 0.03 -1.65 0.00 0.00 177.43 176.44 2cue h ARG 58 N 0.40 -0.39 -0.96 0.81 2.47 -1.11 -2.42 114.38 113.18 2cue h ARG 58 Ca 0.04 0.03 0.28 0.00 -1.26 0.00 0.00 59.98 59.06 2cue h ARG 58 Cb 0.88 0.09 -0.17 0.00 -1.65 0.00 0.00 29.97 29.11 2cue h ARG 58 CO 0.07 -0.26 0.12 0.00 0.56 0.00 0.00 179.97 180.47 2cue h ARG 59 N -0.40 0.04 -0.34 0.04 3.08 -1.40 1.51 114.38 116.91 2cue h ARG 59 Ca 0.01 -0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 2cue h ARG 59 Cb 0.40 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 2cue h ARG 59 CO -0.08 0.03 0.02 0.00 -1.07 0.00 0.00 179.97 178.87 2cue h ALA 60 N 1.94 1.42 0.00 0.04 0.00 -1.54 0.23 119.26 121.34 2cue h ALA 60 Ca 0.61 -0.18 -0.10 0.00 0.00 0.00 0.00 54.91 55.24 2cue h ALA 60 Cb 1.31 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2cue h ALA 60 CO -0.85 0.41 -0.50 -0.22 0.00 0.00 0.00 179.25 178.10 2cue h LYS 61 N 0.49 0.00 0.15 0.00 3.64 0.22 -2.19 116.57 118.88 2cue h LYS 61 Ca 0.11 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.20 2cue h LYS 61 Cb 0.29 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2cue h LYS 61 CO 0.01 0.50 -1.42 2.35 -2.27 0.00 0.00 179.45 178.61 2cue h TRP 62 N 0.00 0.57 -0.54 1.91 7.01 -0.12 -2.88 115.95 121.90 2cue h TRP 62 Ca -0.00 -0.42 -0.10 0.00 2.11 0.00 0.00 58.89 60.48 2cue h TRP 62 Cb 1.17 -0.02 -0.02 0.00 -2.10 0.00 0.00 29.16 28.18 2cue h TRP 62 CO 0.00 1.55 -0.04 0.00 -2.79 0.00 0.00 178.44 177.16 2cue h ARG 63 N -0.17 0.97 -0.29 2.65 3.08 -0.63 0.16 114.38 120.15 2cue h ARG 63 Ca -0.29 -0.31 -0.18 0.00 0.07 0.00 0.00 59.98 59.27 2cue h ARG 63 Cb 1.86 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 31.83 2cue h ARG 63 CO 0.12 0.98 -0.52 0.07 -1.07 0.00 0.00 179.97 179.55 2cue h ARG 64 N 0.88 0.83 0.22 0.04 0.11 -1.54 -3.24 114.38 111.69 2cue h ARG 64 Ca 0.15 -0.51 -0.01 0.00 0.10 0.00 0.00 59.98 59.71 2cue h ARG 64 Cb 0.58 0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.71 2cue h ARG 64 CO 0.03 1.15 -0.11 0.93 0.10 0.00 0.00 179.97 182.07 2cue h GLU 65 N 0.65 -0.29 -1.70 0.08 5.08 -1.37 -3.11 114.58 113.92 2cue h GLU 65 Ca 0.02 0.02 0.52 0.00 -1.00 0.00 0.00 59.36 58.92 2cue h GLU 65 Cb 1.12 0.07 -0.10 0.00 0.50 0.00 0.00 28.75 30.34 2cue h GLU 65 CO 0.12 0.09 1.18 -1.91 -1.00 0.00 0.00 179.01 177.48 2cue n GLU 66 N -4.99 -0.01 0.11 2.33 0.00 0.53 -0.40 120.64 118.21 2cue n GLU 66 Ca -0.08 1.11 -0.05 0.00 0.00 0.00 0.00 57.16 58.14 2cue n GLU 66 Cb 0.26 -2.41 -0.02 0.00 0.00 0.00 0.00 31.44 29.26 2cue n GLU 66 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2cue h LYS 67 N 0.00 -0.33 -0.95 5.31 1.63 -1.57 -2.44 116.57 118.23 2cue h LYS 67 Ca 0.89 0.02 0.40 0.00 -0.85 0.00 0.00 60.65 61.11 2cue h LYS 67 Cb 3.32 0.07 -0.17 0.00 -0.60 0.00 0.00 32.23 34.86 2cue h LYS 67 CO -0.18 -0.22 0.51 1.28 -3.45 0.00 0.00 179.45 177.39 2cue n LEU 68 N -4.47 0.33 -0.01 5.20 4.77 0.46 0.49 117.00 123.77 2cue n LEU 68 Ca -0.04 1.57 -0.13 0.00 -0.03 0.00 0.00 56.01 57.38 2cue n LEU 68 Cb 0.13 -0.76 -0.10 0.00 -2.33 0.00 0.00 43.42 40.36 2cue n LEU 68 CO 0.10 -1.76 0.56 0.03 -1.33 0.00 0.00 177.39 174.99 2cue h ARG 69 N 0.00 -0.04 -0.56 3.23 3.08 -1.49 -3.06 114.38 115.53 2cue h ARG 69 Ca 0.80 0.00 0.16 0.00 0.07 0.00 0.00 59.98 61.02 2cue h ARG 69 Cb 2.12 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 32.16 2cue h ARG 69 CO -0.73 0.52 0.46 -0.91 -1.07 0.00 0.00 179.97 178.23 2cue h ASN 70 N -0.64 0.00 -0.20 7.04 4.21 0.56 0.11 115.58 126.65 2cue h ASN 70 Ca -0.00 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.38 2cue h ASN 70 Cb 0.58 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 37.78 2cue h ASN 70 CO 0.01 0.00 -0.35 1.56 -1.29 0.00 0.00 177.43 177.35 2cue h GLN 71 N 0.00 0.60 -0.07 0.81 4.20 -0.97 -3.08 115.11 116.61 2cue h GLN 71 Ca 0.27 -0.37 -0.02 0.00 0.06 0.00 0.00 58.65 58.59 2cue h GLN 71 Cb 1.18 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 2cue h GLN 71 CO -0.00 0.98 -0.03 -0.09 -0.67 0.00 0.00 178.83 179.02 2cue h ARG 72 N 0.28 0.09 -6.32 1.46 1.12 -0.89 -3.43 114.38 106.70 2cue h ARG 72 Ca 0.01 -0.01 -0.45 0.00 -1.11 0.00 0.00 59.98 58.43 2cue h ARG 72 Cb 0.95 -0.02 -0.00 0.00 -0.01 0.00 0.00 29.97 30.89 2cue h ARG 72 CO 0.08 0.14 -0.35 -0.98 -3.11 0.00 0.00 179.97 175.75 2cue s ARG 73 N -4.97 2.97 -0.11 0.20 1.04 -0.99 -5.07 118.95 112.02 2cue s ARG 73 Ca -0.05 -1.13 -0.30 0.00 -1.04 0.00 0.00 55.73 53.22 2cue s ARG 73 Cb 0.17 -2.73 -0.01 0.00 -2.04 0.00 0.00 34.95 30.33 2cue s ARG 73 CO 0.69 -0.01 1.04 1.14 -0.04 0.00 0.00 175.30 178.12 2cue s GLN 74 N -4.17 4.40 -0.10 3.89 -2.07 -1.26 -4.87 119.66 115.48 2cue s GLN 74 Ca 0.46 1.43 -0.22 0.00 -1.82 0.00 0.00 55.36 55.21 2cue s GLN 74 Cb -0.09 -3.55 0.05 0.00 -1.09 0.00 0.00 33.01 28.33 2cue s GLN 74 CO 0.31 -0.36 0.53 0.45 -1.32 0.00 0.00 175.29 174.90 2cue s SER 75 N 1.16 -0.50 0.26 12.60 0.15 -1.26 -5.10 113.70 121.01 2cue s SER 75 Ca 0.49 0.68 -0.18 0.00 0.70 0.00 0.00 55.95 57.64 2cue s SER 75 Cb -0.19 0.69 -0.09 0.00 -1.71 0.00 0.00 66.02 64.72 2cue s SER 75 CO 0.18 -0.42 0.74 -0.83 1.20 0.00 0.00 173.24 174.10 2cue s GLY 76 N -0.70 2.53 0.93 9.45 0.00 -1.26 -5.07 107.32 113.20 2cue s GLY 76 Ca -0.08 0.14 -0.12 0.00 0.00 0.00 0.00 44.72 44.66 2cue s GLY 76 CO 0.05 0.45 1.09 2.56 0.00 0.00 0.00 173.10 177.25 2cue s PRO 77 N -2.30 1.02 0.23 2.90 0.04 -1.26 -5.07 135.00 130.56 2cue s PRO 77 Ca 0.47 0.73 0.07 0.00 0.04 0.00 0.00 61.00 62.31 2cue s PRO 77 Cb -0.15 -1.79 -0.04 0.00 0.04 0.00 0.00 34.50 32.57 2cue s PRO 77 CO 0.20 -2.38 0.12 -1.54 0.04 0.00 0.00 177.00 173.43 2cue s SER 78 N -3.43 5.20 0.86 6.66 1.04 -1.26 -5.09 113.70 117.68 2cue s SER 78 Ca 0.64 -0.34 -0.16 0.00 0.48 0.00 0.00 55.95 56.56 2cue s SER 78 Cb -0.18 -1.23 -0.10 0.00 0.10 0.00 0.00 66.02 64.61 2cue s SER 78 CO 0.57 0.00 -0.25 -1.54 0.98 0.00 0.00 173.24 173.01 2cue n SER 79 N -0.86 -4.12 0.00 7.02 3.41 -1.26 -5.36 113.62 112.45 2cue n SER 79 Ca -0.08 0.36 0.00 0.00 -0.26 0.00 0.00 58.87 58.89 2cue n SER 79 Cb 0.57 -0.93 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 2cue n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49