#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 0.54 -4.54 1.61 2.88 -1.26 -4.96 113.62 107.88 2cue n SER 2 Ca 0.00 0.09 -0.42 0.00 -1.33 0.00 0.00 58.87 57.21 2cue n SER 2 Cb 0.00 -0.22 -0.06 0.00 -0.75 0.00 0.00 64.21 63.17 2cue n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cue s SER 3 N -5.68 6.38 0.00 -3.46 0.01 -1.26 -5.04 113.70 104.65 2cue s SER 3 Ca -0.10 -0.10 0.00 0.00 1.31 0.00 0.00 55.95 57.06 2cue s SER 3 Cb 0.04 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 63.94 2cue s SER 3 CO 0.13 -0.72 0.00 0.61 0.41 0.00 0.00 173.24 173.67 2cue n GLY 4 N 4.87 2.33 3.41 3.44 0.00 -1.26 -5.11 105.19 112.88 2cue n GLY 4 Ca -0.01 -2.05 -0.30 0.00 0.00 0.00 0.00 46.02 43.67 2cue n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cue s SER 5 N -0.86 -0.15 -0.13 1.61 1.04 -1.26 -4.99 113.70 108.95 2cue s SER 5 Ca 0.00 0.93 -0.22 0.00 0.48 0.00 0.00 55.95 57.14 2cue s SER 5 Cb 0.00 -1.36 -0.25 0.00 0.10 0.00 0.00 66.02 64.51 2cue s SER 5 CO 0.00 -4.82 0.57 0.77 0.98 0.00 0.00 173.24 170.74 2cue h SER 6 N -3.05 0.18 0.00 7.02 4.64 -2.06 -3.51 113.55 116.78 2cue h SER 6 Ca -0.48 -0.82 0.00 0.00 -0.47 0.00 0.00 61.79 60.02 2cue h SER 6 Cb 1.33 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 2cue h SER 6 CO 0.35 1.38 0.00 0.61 -0.87 0.00 0.00 176.83 178.30 2cue n GLY 7 N 1.62 -0.69 3.56 -0.77 0.00 -1.26 -5.09 105.19 102.56 2cue n GLY 7 Ca -0.21 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.15 2cue n GLY 7 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2cue s GLN 8 N -1.22 3.52 0.31 1.61 1.11 -1.26 -5.01 119.66 118.72 2cue s GLN 8 Ca 0.00 0.16 -0.29 0.00 0.01 0.00 0.00 55.36 55.24 2cue s GLN 8 Cb 0.00 -3.96 -0.10 0.00 -1.01 0.00 0.00 33.01 27.93 2cue s GLN 8 CO 0.00 -1.39 1.41 1.03 0.01 0.00 0.00 175.29 176.35 2cue s ARG 9 N 4.14 4.25 -0.16 2.91 0.52 -1.26 -4.89 118.95 124.46 2cue s ARG 9 Ca 0.39 2.35 -0.00 0.00 -0.52 0.00 0.00 55.73 57.95 2cue s ARG 9 Cb -0.10 -3.06 0.13 0.00 0.52 0.00 0.00 34.95 32.45 2cue s ARG 9 CO 0.26 -0.37 1.82 -1.71 0.02 0.00 0.00 175.30 175.31 2cue n ASN 10 N 1.31 5.28 -3.59 0.23 2.85 -1.26 -4.79 115.26 115.29 2cue n ASN 10 Ca 0.03 -2.69 -0.13 0.00 -0.11 0.00 0.00 54.58 51.68 2cue n ASN 10 Cb 0.40 -0.96 -0.06 0.00 1.24 0.00 0.00 39.78 40.40 2cue n ASN 10 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2cue s ARG 11 N -0.98 0.74 -1.18 1.20 3.03 -1.26 -5.08 118.95 115.42 2cue s ARG 11 Ca 0.17 0.49 -0.07 0.00 2.03 0.00 0.00 55.73 58.35 2cue s ARG 11 Cb 0.13 0.35 0.24 0.00 -1.03 0.00 0.00 34.95 34.64 2cue s ARG 11 CO 0.01 -0.17 1.64 -2.37 -1.13 0.00 0.00 175.30 173.28 2cue n THR 12 N 1.62 4.80 -0.32 4.99 5.66 -1.26 -4.84 114.28 124.93 2cue n THR 12 Ca -0.14 -5.15 0.30 0.00 -3.05 0.00 0.00 64.05 56.01 2cue n THR 12 Cb 0.56 -2.25 0.56 0.00 -1.55 0.00 0.00 70.33 67.65 2cue n THR 12 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 2cue h SER 13 N 5.72 0.36 -2.98 1.09 4.64 -1.98 -3.40 113.55 117.01 2cue h SER 13 Ca 0.29 0.24 -0.48 0.00 -0.47 0.00 0.00 61.79 61.37 2cue h SER 13 Cb 0.65 0.24 -0.14 0.00 -0.31 0.00 0.00 62.40 62.83 2cue h SER 13 CO 1.45 -0.36 -0.73 -0.36 -0.87 0.00 0.00 176.83 175.95 2cue s PHE 14 N -5.56 1.85 0.11 4.77 0.40 -1.26 -5.15 117.98 113.12 2cue s PHE 14 Ca -0.09 -0.54 0.04 0.00 -0.60 0.00 0.00 56.93 55.73 2cue s PHE 14 Cb 0.33 -0.86 -0.04 0.00 0.51 0.00 0.00 43.02 42.96 2cue s PHE 14 CO 0.78 0.42 0.10 0.95 0.70 0.00 0.00 175.22 178.17 2cue s THR 15 N -2.89 4.53 0.54 0.64 -4.23 -1.26 -4.96 115.64 108.02 2cue s THR 15 Ca 0.25 -0.86 0.31 0.00 -1.18 0.00 0.00 61.69 60.21 2cue s THR 15 Cb -0.01 -3.23 0.47 0.00 1.34 0.00 0.00 72.50 71.08 2cue s THR 15 CO 0.09 0.05 1.90 -0.61 -0.54 0.00 0.00 174.62 175.51 2cue h GLN 16 N 3.02 0.00 0.00 3.99 4.15 -1.98 0.61 115.11 124.89 2cue h GLN 16 Ca -0.47 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 58.87 2cue h GLN 16 Cb 1.17 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 2cue h GLN 16 CO 0.65 0.00 -0.41 0.93 -1.93 0.00 0.00 178.83 178.08 2cue h GLU 17 N 0.00 0.00 0.09 1.69 5.08 -2.00 -2.58 114.58 116.85 2cue h GLU 17 Ca 0.40 0.00 -0.34 0.00 -1.00 0.00 0.00 59.36 58.42 2cue h GLU 17 Cb 1.63 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.85 2cue h GLU 17 CO -0.00 0.41 -1.92 1.04 -1.00 0.00 0.00 179.01 177.53 2cue n GLN 18 N -3.91 0.72 0.01 2.33 6.02 0.19 -4.08 117.38 118.65 2cue n GLN 18 Ca -0.01 0.27 0.04 0.00 -0.01 0.00 0.00 57.00 57.28 2cue n GLN 18 Cb 0.45 -1.73 0.42 0.00 1.02 0.00 0.00 30.24 30.40 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 0.05 1.11 -0.56 5.09 2.04 -0.81 0.16 117.51 124.59 2cue h ILE 19 Ca -0.39 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 2cue h ILE 19 Cb 2.03 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 38.65 2cue h ILE 19 CO 0.08 0.12 0.24 1.05 0.00 0.00 0.00 178.15 179.64 2cue h GLU 20 N 0.53 0.84 0.03 2.37 4.11 -1.61 -0.09 114.58 120.77 2cue h GLU 20 Ca 0.14 -0.15 -0.22 0.00 0.07 0.00 0.00 59.36 59.20 2cue h GLU 20 Cb -0.02 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2cue h GLU 20 CO -0.03 0.72 -1.02 0.00 0.07 0.00 0.00 179.01 178.75 2cue h ALA 21 N 1.08 0.35 0.00 1.06 0.00 -1.56 -2.85 119.26 117.34 2cue h ALA 21 Ca 0.19 -0.84 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 2cue h ALA 21 Cb 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2cue h ALA 21 CO -0.02 1.08 -0.17 -0.07 0.00 0.00 0.00 179.25 180.07 2cue h LEU 22 N 0.04 0.00 0.03 0.00 3.38 -0.49 -2.90 115.31 115.38 2cue h LEU 22 Ca -0.05 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.80 2cue h LEU 22 Cb 1.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.47 2cue h LEU 22 CO 0.15 0.17 -0.62 -0.33 0.09 0.00 0.00 178.44 177.90 2cue h GLU 23 N 0.00 0.07 -0.41 1.13 4.39 -1.00 -3.24 114.58 115.52 2cue h GLU 23 Ca -0.00 -0.13 0.07 0.00 0.34 0.00 0.00 59.36 59.65 2cue h GLU 23 Cb 0.74 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 29.37 2cue h GLU 23 CO 0.02 1.06 0.03 -0.22 -1.16 0.00 0.00 179.01 178.74 2cue h LYS 24 N -0.82 0.14 -0.75 2.33 3.64 -1.52 -0.55 116.57 119.04 2cue h LYS 24 Ca -0.15 -0.01 0.07 0.00 -1.27 0.00 0.00 60.65 59.29 2cue h LYS 24 Cb 1.27 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.01 2cue h LYS 24 CO -0.02 0.09 0.49 1.49 -2.27 0.00 0.00 179.45 179.23 2cue h GLU 25 N 0.14 0.77 -0.33 1.90 4.57 -1.67 -2.03 114.58 117.94 2cue h GLU 25 Ca 0.20 -0.05 -0.06 0.00 -1.18 0.00 0.00 59.36 58.28 2cue h GLU 25 Cb 0.28 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 2cue h GLU 25 CO -0.31 0.51 -0.02 0.35 -1.18 0.00 0.00 179.01 178.36 2cue h PHE 26 N 0.79 0.65 -0.89 0.92 3.04 -1.17 -1.01 116.94 119.27 2cue h PHE 26 Ca 0.32 -0.12 0.19 0.00 3.98 0.00 0.00 57.97 62.35 2cue h PHE 26 Cb 0.26 -0.17 -0.07 0.00 2.56 0.00 0.00 35.95 38.53 2cue h PHE 26 CO -0.00 0.73 0.59 0.93 -2.02 0.00 0.00 178.31 178.53 2cue h GLU 27 N 0.39 0.43 0.07 1.11 5.08 -0.51 -1.99 114.58 119.17 2cue h GLU 27 Ca 0.09 -0.03 -0.12 0.00 -1.00 0.00 0.00 59.36 58.30 2cue h GLU 27 Cb 0.48 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.64 2cue h GLU 27 CO 0.02 0.28 -0.58 -0.09 -1.00 0.00 0.00 179.01 177.64 2cue h ARG 28 N 0.44 0.15 -3.07 2.33 2.43 -1.33 -3.46 114.38 111.88 2cue h ARG 28 Ca 0.46 -0.26 -0.27 0.00 -0.81 0.00 0.00 59.98 59.10 2cue h ARG 28 Cb 1.10 0.10 -0.34 0.00 -0.42 0.00 0.00 29.97 30.40 2cue h ARG 28 CO -0.18 1.12 -0.61 -0.08 -1.51 0.00 0.00 179.97 178.71 2cue s THR 29 N -2.34 -0.25 -0.66 0.20 -1.32 -0.40 -5.01 115.64 105.85 2cue s THR 29 Ca -0.18 0.31 0.21 0.00 -1.21 0.00 0.00 61.69 60.83 2cue s THR 29 Cb 0.00 -0.32 0.21 0.00 -1.51 0.00 0.00 72.50 70.88 2cue s THR 29 CO 0.75 0.13 1.64 1.41 -2.21 0.00 0.00 174.62 176.34 2cue n HIS 30 N 5.15 0.55 -3.58 9.09 8.25 -1.19 -3.98 115.22 129.51 2cue n HIS 30 Ca -0.08 0.21 -0.28 0.00 -0.26 0.00 0.00 57.72 57.31 2cue n HIS 30 Cb 0.50 -0.84 -0.11 0.00 1.12 0.00 0.00 29.99 30.66 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 -3.21 1.89 -0.55 4.41 2.02 -1.26 -4.95 117.35 115.70 2cue s TYR 31 Ca 0.05 -2.60 -0.27 0.00 -0.37 0.00 0.00 57.07 53.88 2cue s TYR 31 Cb 0.10 -1.54 -0.02 0.00 -0.40 0.00 0.00 41.96 40.10 2cue s TYR 31 CO 0.36 -0.74 1.83 -1.25 -1.57 0.00 0.00 175.55 174.18 2cue s PRO 32 N -0.32 2.79 1.25 -1.71 0.04 -1.26 -4.98 135.00 130.82 2cue s PRO 32 Ca 0.28 0.76 -0.19 0.00 0.04 0.00 0.00 61.00 61.90 2cue s PRO 32 Cb -0.03 -4.34 0.29 0.00 0.04 0.00 0.00 34.50 30.47 2cue s PRO 32 CO -0.16 -2.53 0.66 -0.25 0.04 0.00 0.00 177.00 174.76 2cue n ASP 33 N 12.15 -3.67 -0.27 6.66 8.00 -1.26 -3.95 116.55 134.21 2cue n ASP 33 Ca 0.21 -0.66 0.10 0.00 0.71 0.00 0.00 54.79 55.14 2cue n ASP 33 Cb 0.51 -0.89 0.35 0.00 -0.02 0.00 0.00 41.12 41.07 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 -3.26 0.89 0.00 2.53 3.04 -1.98 0.27 116.25 117.74 2cue h VAL 34 Ca -0.31 -0.26 -0.01 0.00 -1.01 0.00 0.00 66.70 65.11 2cue h VAL 34 Cb 1.03 0.06 -0.00 0.00 -2.01 0.00 0.00 31.29 30.37 2cue h VAL 34 CO 0.19 0.14 -0.05 -0.26 -1.01 0.00 0.00 177.57 176.58 2cue h PHE 35 N 0.76 0.00 0.00 3.17 0.04 -1.99 0.56 116.94 119.48 2cue h PHE 35 Ca 0.43 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.96 2cue h PHE 35 Cb 0.59 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.71 2cue h PHE 35 CO -0.00 0.05 -1.47 0.00 -0.60 0.00 0.00 178.31 176.29 2cue n ALA 36 N -2.20 0.85 -0.31 2.45 0.00 0.73 -3.62 120.51 118.40 2cue n ALA 36 Ca -0.02 -0.66 0.01 0.00 0.00 0.00 0.00 53.44 52.77 2cue n ALA 36 Cb 0.18 -0.25 0.19 0.00 0.00 0.00 0.00 19.45 19.56 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 1.12 0.63 0.00 3.08 -0.86 -0.17 114.38 117.19 2cue h ARG 37 Ca -0.37 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 59.59 2cue h ARG 37 Cb 1.25 -0.25 0.01 0.00 0.08 0.00 0.00 29.97 31.05 2cue h ARG 37 CO -0.22 0.74 -0.30 0.93 -1.07 0.00 0.00 179.97 180.05 2cue h GLU 38 N 1.16 -0.81 -0.70 0.04 5.08 -1.08 0.29 114.58 118.54 2cue h GLU 38 Ca 0.35 0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.85 2cue h GLU 38 Cb -0.02 0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.35 2cue h GLU 38 CO -0.10 -0.50 0.37 0.00 -1.00 0.00 0.00 179.01 177.78 2cue h ARG 39 N -1.04 0.62 -0.43 2.33 3.08 -1.59 -1.61 114.38 115.75 2cue h ARG 39 Ca -0.09 -0.04 -0.11 0.00 0.07 0.00 0.00 59.98 59.82 2cue h ARG 39 Cb 0.69 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.59 2cue h ARG 39 CO 0.14 0.41 -0.17 1.25 -1.07 0.00 0.00 179.97 180.54 2cue h LEU 40 N 0.64 0.82 -1.13 3.04 5.85 -0.99 -2.75 115.31 120.79 2cue h LEU 40 Ca 0.33 -0.27 0.34 0.00 0.84 0.00 0.00 57.88 59.13 2cue h LEU 40 Cb 0.30 -0.22 -0.14 0.00 0.37 0.00 0.00 40.66 40.97 2cue h LEU 40 CO -0.24 0.98 0.64 0.00 -0.34 0.00 0.00 178.44 179.48 2cue h ALA 41 N 1.09 2.16 0.00 1.25 0.00 0.61 1.28 119.26 125.64 2cue h ALA 41 Ca 0.11 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.18 2cue h ALA 41 Cb 0.67 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2cue h ALA 41 CO 0.05 -0.77 -0.88 0.00 0.00 0.00 0.00 179.25 177.66 2cue n ALA 42 N -2.36 3.25 0.08 0.00 0.00 -1.12 -0.18 120.51 120.19 2cue n ALA 42 Ca 0.33 -0.35 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 2cue n ALA 42 Cb 1.08 -1.04 -0.06 0.00 0.00 0.00 0.00 19.45 19.43 2cue n ALA 42 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2cue h LYS 43 N 0.00 0.14 -0.00 0.00 3.64 0.18 -3.33 116.57 117.19 2cue h LYS 43 Ca 0.00 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2cue h LYS 43 Cb 0.73 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 2cue h LYS 43 CO 0.00 1.00 -0.03 0.44 -2.27 0.00 0.00 179.45 178.59 2cue n ILE 44 N -3.55 0.00 -2.87 2.00 -5.35 0.12 -5.02 119.36 104.69 2cue n ILE 44 Ca -0.03 -0.49 -0.11 0.00 -0.27 0.00 0.00 62.75 61.85 2cue n ILE 44 Cb 0.88 1.02 0.06 0.00 -1.74 0.00 0.00 39.64 39.86 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 -0.30 -2.78 -4.09 7.28 2.03 -0.39 -4.86 116.55 113.44 2cue n ASP 45 Ca 0.01 -0.42 -0.15 0.00 0.52 0.00 0.00 54.79 54.75 2cue n ASP 45 Cb 0.04 -3.55 -0.12 0.00 -0.72 0.00 0.00 41.12 36.77 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 -4.79 2.25 0.21 -2.67 1.43 0.75 -5.01 118.68 110.85 2cue s LEU 46 Ca 0.08 -0.54 -0.30 0.00 -1.03 0.00 0.00 54.13 52.33 2cue s LEU 46 Cb -0.01 -0.27 -0.09 0.00 0.03 0.00 0.00 46.19 45.85 2cue s LEU 46 CO 0.48 -0.15 1.30 -2.16 0.23 0.00 0.00 176.35 176.05 2cue s PRO 47 N -1.54 4.40 0.58 1.29 0.04 -1.26 -4.31 135.00 134.20 2cue s PRO 47 Ca -0.07 2.05 0.33 0.00 0.04 0.00 0.00 61.00 63.34 2cue s PRO 47 Cb -0.10 -3.19 1.33 0.00 0.04 0.00 0.00 34.50 32.58 2cue s PRO 47 CO 0.01 -0.23 1.62 1.49 0.04 0.00 0.00 177.00 179.92 2cue h GLU 48 N 5.25 0.00 -0.25 4.56 4.81 -1.93 0.74 114.58 127.74 2cue h GLU 48 Ca -0.45 0.00 -0.14 0.00 -0.13 0.00 0.00 59.36 58.64 2cue h GLU 48 Cb 1.21 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.59 2cue h GLU 48 CO 0.76 0.00 -0.37 0.00 -0.73 0.00 0.00 179.01 178.67 2cue h ALA 49 N 1.04 0.39 0.52 2.92 0.00 -1.96 -3.19 119.26 118.98 2cue h ALA 49 Ca 0.49 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 2cue h ALA 49 Cb 2.40 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 20.12 2cue h ALA 49 CO -0.01 0.47 -0.25 0.00 0.00 0.00 0.00 179.25 179.46 2cue h ARG 50 N 0.43 -0.67 -0.93 0.00 2.47 0.13 -2.89 114.38 112.91 2cue h ARG 50 Ca 0.03 0.05 0.26 0.00 -1.26 0.00 0.00 59.98 59.05 2cue h ARG 50 Cb 0.96 0.15 -0.16 0.00 -1.65 0.00 0.00 29.97 29.27 2cue h ARG 50 CO 0.09 -0.43 0.13 0.82 0.56 0.00 0.00 179.97 181.14 2cue h ILE 51 N -0.74 0.15 -0.20 2.04 2.04 -1.58 0.17 117.51 119.38 2cue h ILE 51 Ca -0.07 -0.03 0.06 0.00 1.00 0.00 0.00 64.86 65.82 2cue h ILE 51 Cb 0.56 0.06 -0.07 0.00 -0.74 0.00 0.00 36.82 36.63 2cue h ILE 51 CO 0.12 0.01 -0.28 1.56 0.00 0.00 0.00 178.15 179.57 2cue h GLN 52 N 0.08 -0.30 0.81 2.37 4.20 -1.50 -0.77 115.11 120.00 2cue h GLN 52 Ca 0.59 0.02 -0.04 0.00 0.06 0.00 0.00 58.65 59.28 2cue h GLN 52 Cb 1.23 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.07 2cue h GLN 52 CO -0.80 -0.20 -0.48 0.28 -0.67 0.00 0.00 178.83 176.96 2cue h VAL 53 N -0.31 0.03 -0.93 -0.54 2.07 -0.68 0.13 116.25 116.02 2cue h VAL 53 Ca 0.12 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.91 2cue h VAL 53 Cb 0.50 0.03 -0.16 0.00 -1.52 0.00 0.00 31.29 30.14 2cue h VAL 53 CO -0.37 0.00 0.20 -0.25 0.02 0.00 0.00 177.57 177.16 2cue h TRP 54 N -1.21 0.27 -0.30 1.57 7.01 -1.12 0.45 115.95 122.62 2cue h TRP 54 Ca -0.11 0.06 -0.15 0.00 2.11 0.00 0.00 58.89 60.80 2cue h TRP 54 Cb 0.96 0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 28.05 2cue h TRP 54 CO -0.09 -0.32 -0.41 0.74 -2.79 0.00 0.00 178.44 175.57 2cue h PHE 55 N 0.11 0.99 0.23 2.65 -1.00 -0.84 -2.71 116.94 116.37 2cue h PHE 55 Ca 0.60 -0.32 0.01 0.00 2.81 0.00 0.00 57.97 61.07 2cue h PHE 55 Cb 1.28 -0.20 -0.04 0.00 3.61 0.00 0.00 35.95 40.61 2cue h PHE 55 CO -0.32 1.12 -0.42 1.03 -1.61 0.00 0.00 178.31 178.11 2cue h SER 56 N 0.57 -1.22 -0.82 2.17 0.87 0.26 -1.77 113.55 113.61 2cue h SER 56 Ca 0.03 0.12 0.07 0.00 -1.23 0.00 0.00 61.79 60.78 2cue h SER 56 Cb 1.00 0.44 -0.05 0.00 -0.44 0.00 0.00 62.40 63.35 2cue h SER 56 CO 0.10 -0.52 0.54 0.78 -0.53 0.00 0.00 176.83 177.19 2cue h ASN 57 N -0.73 0.79 -0.07 6.23 2.35 -1.27 -2.49 115.58 120.39 2cue h ASN 57 Ca -0.00 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 2cue h ASN 57 Cb 0.71 -0.16 -0.04 0.00 0.05 0.00 0.00 38.32 38.87 2cue h ASN 57 CO -0.18 0.51 -0.18 -0.09 -1.65 0.00 0.00 177.43 175.84 2cue h ARG 58 N 0.90 -0.24 -0.96 0.81 9.65 -1.01 -1.84 114.38 121.69 2cue h ARG 58 Ca 0.36 0.02 0.30 0.00 -1.10 0.00 0.00 59.98 59.55 2cue h ARG 58 Cb 0.24 0.06 -0.16 0.00 -1.39 0.00 0.00 29.97 28.71 2cue h ARG 58 CO -0.13 -0.16 0.33 0.00 2.80 0.00 0.00 179.97 182.80 2cue h ARG 59 N -0.25 0.14 -0.54 0.20 3.08 -0.87 0.99 114.38 117.12 2cue h ARG 59 Ca 0.08 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 2cue h ARG 59 Cb 0.37 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2cue h ARG 59 CO -0.22 0.09 0.01 0.00 -1.07 0.00 0.00 179.97 178.78 2cue h ALA 60 N 1.89 1.01 0.00 0.04 0.00 -1.39 0.15 119.26 120.96 2cue h ALA 60 Ca 0.67 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 55.19 2cue h ALA 60 Cb 1.51 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2cue h ALA 60 CO -0.73 0.61 -0.50 -0.22 0.00 0.00 0.00 179.25 178.41 2cue h LYS 61 N 0.84 0.00 0.00 0.00 3.64 0.12 -2.18 116.57 118.99 2cue h LYS 61 Ca 0.16 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.52 2cue h LYS 61 Cb 0.48 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 2cue h LYS 61 CO 0.02 0.50 -0.14 2.35 -2.27 0.00 0.00 179.45 179.91 2cue h TRP 62 N 0.00 0.00 -0.88 1.91 7.01 -0.20 -2.80 115.95 120.99 2cue h TRP 62 Ca -0.00 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.03 2cue h TRP 62 Cb 1.03 0.00 -0.05 0.00 -2.10 0.00 0.00 29.16 28.04 2cue h TRP 62 CO 0.00 0.94 0.58 0.00 -2.79 0.00 0.00 178.44 177.17 2cue h ARG 63 N -1.00 1.08 -0.39 2.65 3.08 -0.78 0.17 114.38 119.19 2cue h ARG 63 Ca -0.04 -0.07 -0.13 0.00 0.07 0.00 0.00 59.98 59.82 2cue h ARG 63 Cb 0.93 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 2cue h ARG 63 CO -0.02 0.72 -0.25 0.07 -1.07 0.00 0.00 179.97 179.41 2cue h ARG 64 N 1.11 0.86 0.46 0.04 0.11 -1.52 -3.07 114.38 112.37 2cue h ARG 64 Ca 0.34 -0.40 -0.02 0.00 0.10 0.00 0.00 59.98 60.00 2cue h ARG 64 Cb -0.01 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 31.07 2cue h ARG 64 CO -0.10 1.05 -0.22 0.93 0.10 0.00 0.00 179.97 181.73 2cue h GLU 65 N 0.67 -0.60 -1.19 0.08 5.08 -1.12 -3.06 114.58 114.44 2cue h GLU 65 Ca 0.08 0.04 0.44 0.00 -1.00 0.00 0.00 59.36 58.92 2cue h GLU 65 Cb 0.82 0.14 -0.16 0.00 0.50 0.00 0.00 28.75 30.05 2cue h GLU 65 CO 0.07 -0.31 0.71 0.93 -1.00 0.00 0.00 179.01 179.41 2cue h GLU 66 N -1.06 0.03 -0.21 2.33 4.39 -0.78 0.85 114.58 120.14 2cue h GLU 66 Ca -0.06 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.61 2cue h GLU 66 Cb 0.56 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 2cue h GLU 66 CO 0.10 0.02 0.03 -0.22 -1.16 0.00 0.00 179.01 177.79 2cue h LYS 67 N 0.04 0.34 -0.64 2.33 1.63 -1.50 -2.69 116.57 116.08 2cue h LYS 67 Ca 0.85 -0.09 0.18 0.00 -0.85 0.00 0.00 60.65 60.73 2cue h LYS 67 Cb 2.47 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 34.03 2cue h LYS 67 CO -0.60 0.49 0.45 -0.07 -3.45 0.00 0.00 179.45 176.27 2cue h LEU 68 N 0.14 0.06 -0.46 5.20 3.38 0.82 -0.61 115.31 123.84 2cue h LEU 68 Ca 0.06 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2cue h LEU 68 Cb 0.32 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2cue h LEU 68 CO 0.00 0.03 0.28 0.03 0.09 0.00 0.00 178.44 178.87 2cue h ARG 69 N 0.06 0.62 0.00 1.13 2.47 -1.11 -1.76 114.38 115.79 2cue h ARG 69 Ca 0.31 -0.06 -0.02 0.00 -1.26 0.00 0.00 59.98 58.95 2cue h ARG 69 Cb 1.14 -0.13 -0.00 0.00 -1.65 0.00 0.00 29.97 29.32 2cue h ARG 69 CO -0.02 0.46 -0.08 -0.97 0.56 0.00 0.00 179.97 179.91 2cue h ASN 70 N 0.61 0.00 0.77 7.04 -0.73 -1.14 -1.28 115.58 120.85 2cue h ASN 70 Ca 0.16 0.00 -0.13 0.00 1.87 0.00 0.00 56.30 58.20 2cue h ASN 70 Cb -0.00 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.57 2cue h ASN 70 CO -0.03 0.08 -0.62 1.56 -0.37 0.00 0.00 177.43 178.05 2cue h GLN 71 N 0.00 0.00 -0.45 6.67 4.20 -1.20 -3.04 115.11 121.29 2cue h GLN 71 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2cue h GLN 71 Cb 0.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.99 2cue h GLN 71 CO 0.01 0.62 0.00 -2.13 -0.67 0.00 0.00 178.83 176.66 2cue n ARG 72 N -3.64 3.69 -1.00 1.46 0.63 -0.57 -5.03 116.66 112.20 2cue n ARG 72 Ca -0.01 -2.87 -0.35 0.00 -0.92 0.00 0.00 57.85 53.70 2cue n ARG 72 Cb 0.65 -1.92 0.06 0.00 0.45 0.00 0.00 32.46 31.70 2cue n ARG 72 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 2cue n ARG 73 N 0.30 -0.05 -4.18 -0.14 1.85 -0.69 -2.16 116.66 111.60 2cue n ARG 73 Ca 0.23 0.01 -0.35 0.00 -1.00 0.00 0.00 57.85 56.74 2cue n ARG 73 Cb 0.93 -1.36 -0.03 0.00 -1.05 0.00 0.00 32.46 30.96 2cue n ARG 73 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2cue n GLN 74 N 0.74 -3.19 -0.05 2.89 1.13 -1.26 -4.85 117.38 112.79 2cue n GLN 74 Ca 0.03 0.38 -0.11 0.00 -1.94 0.00 0.00 57.00 55.36 2cue n GLN 74 Cb 0.54 -4.99 -0.05 0.00 0.11 0.00 0.00 30.24 25.85 2cue n GLN 74 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2cue h SER 75 N -1.57 0.27 -4.27 1.08 0.87 -1.83 -3.44 113.55 104.65 2cue h SER 75 Ca -0.60 -0.19 -0.46 0.00 -1.23 0.00 0.00 61.79 59.31 2cue h SER 75 Cb 1.38 -0.07 -0.26 0.00 -0.44 0.00 0.00 62.40 63.01 2cue h SER 75 CO 0.76 0.39 -0.80 -0.83 -0.53 0.00 0.00 176.83 175.81 2cue s GLY 76 N -2.77 0.74 -1.01 5.77 0.00 -1.26 -5.07 107.32 103.71 2cue s GLY 76 Ca -0.14 -0.74 -0.24 0.00 0.00 0.00 0.00 44.72 43.61 2cue s GLY 76 CO 0.71 -0.69 1.94 2.56 0.00 0.00 0.00 173.10 177.63 2cue s PRO 77 N -0.84 2.53 0.21 2.90 0.04 -1.26 -4.91 135.00 133.66 2cue s PRO 77 Ca 0.03 -0.64 0.05 0.00 0.04 0.00 0.00 61.00 60.48 2cue s PRO 77 Cb -0.07 -5.13 -0.05 0.00 0.04 0.00 0.00 34.50 29.29 2cue s PRO 77 CO 0.01 -3.63 -0.06 -1.54 0.04 0.00 0.00 177.00 171.82 2cue s SER 78 N 7.43 2.04 0.11 6.66 1.04 -1.26 -5.10 113.70 124.61 2cue s SER 78 Ca 0.69 -1.13 -0.34 0.00 0.48 0.00 0.00 55.95 55.66 2cue s SER 78 Cb -0.04 -0.04 -0.14 0.00 0.10 0.00 0.00 66.02 65.90 2cue s SER 78 CO 0.05 -0.39 1.62 -0.24 0.98 0.00 0.00 173.24 175.25 2cue n SER 79 N -0.37 3.06 0.00 7.02 2.88 -1.26 -5.18 113.62 119.78 2cue n SER 79 Ca -0.07 1.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 2cue n SER 79 Cb 0.62 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.68 2cue n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42