#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 0.44 0.57 1.61 0.15 -1.26 -5.14 113.70 110.06 2cue s SER 2 Ca 0.00 -0.06 -0.19 0.00 0.70 0.00 0.00 55.95 56.40 2cue s SER 2 Cb 0.00 -0.08 -0.05 0.00 -1.71 0.00 0.00 66.02 64.18 2cue s SER 2 CO 0.00 0.03 1.14 -0.94 1.20 0.00 0.00 173.24 174.66 2cue s SER 3 N 0.07 5.56 -0.89 5.45 1.04 -1.26 -4.98 113.70 118.70 2cue s SER 3 Ca -0.00 2.17 0.00 0.00 0.48 0.00 0.00 55.95 58.60 2cue s SER 3 Cb -0.03 -2.58 0.30 0.00 0.10 0.00 0.00 66.02 63.81 2cue s SER 3 CO -0.00 -1.33 1.30 0.61 0.98 0.00 0.00 173.24 174.80 2cue n GLY 4 N 0.09 5.36 3.60 7.32 0.00 -1.26 -5.00 105.19 115.31 2cue n GLY 4 Ca 0.12 -2.70 -0.43 0.00 0.00 0.00 0.00 46.02 43.01 2cue n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cue s SER 5 N -2.11 5.94 -1.67 1.61 0.01 -1.26 -3.40 113.70 112.81 2cue s SER 5 Ca 0.37 1.38 -0.18 0.00 1.31 0.00 0.00 55.95 58.83 2cue s SER 5 Cb 0.14 -2.53 0.18 0.00 0.21 0.00 0.00 66.02 64.02 2cue s SER 5 CO -0.00 -1.66 0.46 -1.20 0.41 0.00 0.00 173.24 171.24 2cue n SER 6 N 10.09 -1.25 0.02 2.44 7.64 -1.26 -4.73 113.62 126.56 2cue n SER 6 Ca 0.23 -1.14 0.00 0.00 1.01 0.00 0.00 58.87 58.96 2cue n SER 6 Cb 0.46 -1.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 2cue n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cue n GLY 7 N -1.25 0.02 0.29 0.23 0.00 -1.22 -4.75 105.19 98.51 2cue n GLY 7 Ca 0.04 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.90 2cue n GLY 7 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2cue h GLN 8 N 0.00 -0.66 -3.74 1.61 4.20 -1.85 -3.37 115.11 111.29 2cue h GLN 8 Ca 0.00 0.05 -0.67 0.00 0.06 0.00 0.00 58.65 58.08 2cue h GLN 8 Cb 0.00 0.15 -0.37 0.00 0.30 0.00 0.00 27.48 27.56 2cue h GLN 8 CO 0.00 -0.40 -0.51 1.03 -0.67 0.00 0.00 178.83 178.28 2cue s ARG 9 N -5.72 2.20 0.13 1.46 1.81 -1.26 -4.98 118.95 112.59 2cue s ARG 9 Ca -0.16 -2.41 -0.33 0.00 -1.72 0.00 0.00 55.73 51.11 2cue s ARG 9 Cb 0.03 -3.53 -0.10 0.00 -0.45 0.00 0.00 34.95 30.90 2cue s ARG 9 CO 0.60 -1.12 1.55 -2.95 -0.68 0.00 0.00 175.30 172.70 2cue h ASN 10 N 7.04 -1.87 -6.94 0.23 -1.07 -1.86 -3.44 115.58 107.68 2cue h ASN 10 Ca -0.05 0.25 -0.57 0.00 0.07 0.00 0.00 56.30 55.99 2cue h ASN 10 Cb 0.95 0.77 -0.31 0.00 -2.07 0.00 0.00 38.32 37.65 2cue h ASN 10 CO 0.69 -0.40 -0.84 0.54 0.07 0.00 0.00 177.43 177.49 2cue n ARG 11 N -5.37 -1.59 -5.20 4.14 1.74 -1.26 -4.89 116.66 104.22 2cue n ARG 11 Ca -0.03 0.21 -0.32 0.00 -0.77 0.00 0.00 57.85 56.94 2cue n ARG 11 Cb 0.34 -4.84 -0.17 0.00 -1.02 0.00 0.00 32.46 26.77 2cue n ARG 11 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2cue s THR 12 N -3.20 2.12 -0.11 0.55 2.01 -1.26 -5.02 115.64 110.73 2cue s THR 12 Ca 0.77 -1.00 -0.06 0.00 0.31 0.00 0.00 61.69 61.70 2cue s THR 12 Cb -0.44 -1.81 -0.26 0.00 0.01 0.00 0.00 72.50 70.00 2cue s THR 12 CO 0.94 0.56 0.39 -1.20 -0.69 0.00 0.00 174.62 174.62 2cue n SER 13 N 3.44 2.09 -4.35 3.53 7.64 -1.26 -4.95 113.62 119.76 2cue n SER 13 Ca -0.19 0.22 -0.29 0.00 1.01 0.00 0.00 58.87 59.63 2cue n SER 13 Cb 0.53 -0.84 0.24 0.00 -1.01 0.00 0.00 64.21 63.12 2cue n SER 13 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 2cue s PHE 14 N -2.56 1.22 0.18 1.43 0.40 -1.26 -5.06 117.98 112.33 2cue s PHE 14 Ca -0.22 0.96 0.11 0.00 -0.60 0.00 0.00 56.93 57.19 2cue s PHE 14 Cb 0.07 -3.15 -0.04 0.00 0.51 0.00 0.00 43.02 40.40 2cue s PHE 14 CO 0.77 -3.80 -0.24 0.95 0.70 0.00 0.00 175.22 173.60 2cue s THR 15 N -2.63 2.33 0.38 0.64 -4.23 -1.26 -5.00 115.64 105.88 2cue s THR 15 Ca 0.68 -1.98 0.16 0.00 -1.18 0.00 0.00 61.69 59.36 2cue s THR 15 Cb -0.20 -2.10 0.37 0.00 1.34 0.00 0.00 72.50 71.91 2cue s THR 15 CO 0.61 -0.08 1.79 -0.61 -0.54 0.00 0.00 174.62 175.79 2cue h GLN 16 N 3.32 0.45 0.00 3.99 -0.00 -1.97 0.68 115.11 121.59 2cue h GLN 16 Ca -0.47 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.11 2cue h GLN 16 Cb 1.20 -0.10 -0.01 0.00 0.00 0.00 0.00 27.48 28.57 2cue h GLN 16 CO 0.46 0.30 -0.19 0.93 0.00 0.00 0.00 178.83 180.34 2cue h GLU 17 N 0.47 0.00 0.07 1.69 3.07 -2.01 -2.03 114.58 115.84 2cue h GLU 17 Ca 0.56 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 59.09 2cue h GLU 17 Cb 1.31 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.19 2cue h GLU 17 CO -0.29 0.19 -1.89 1.04 -1.40 0.00 0.00 179.01 176.66 2cue n GLN 18 N -4.18 0.70 0.25 2.33 6.02 0.20 -4.00 117.38 118.70 2cue n GLN 18 Ca -0.02 0.27 0.10 0.00 -0.01 0.00 0.00 57.00 57.34 2cue n GLN 18 Cb 0.25 -1.74 0.66 0.00 1.02 0.00 0.00 30.24 30.43 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 0.04 0.80 -0.29 5.09 2.04 -0.24 0.48 117.51 125.42 2cue h ILE 19 Ca -0.37 -0.50 -0.19 0.00 1.00 0.00 0.00 64.86 64.81 2cue h ILE 19 Cb 2.03 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 39.40 2cue h ILE 19 CO 0.08 0.13 -0.55 1.05 0.00 0.00 0.00 178.15 178.86 2cue h GLU 20 N 0.00 0.89 0.00 2.37 4.11 -1.51 -1.63 114.58 118.81 2cue h GLU 20 Ca -0.00 -0.56 -0.18 0.00 0.07 0.00 0.00 59.36 58.69 2cue h GLU 20 Cb 0.28 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.57 2cue h GLU 20 CO 0.02 1.20 -0.87 0.00 0.07 0.00 0.00 179.01 179.43 2cue h ALA 21 N 0.68 0.48 0.00 1.06 0.00 -1.57 -2.92 119.26 116.99 2cue h ALA 21 Ca 0.01 -0.78 -0.12 0.00 0.00 0.00 0.00 54.91 54.03 2cue h ALA 21 Cb 1.16 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2cue h ALA 21 CO 0.12 1.05 -0.55 -0.07 0.00 0.00 0.00 179.25 179.80 2cue h LEU 22 N 0.00 0.00 0.14 0.00 3.38 -0.90 -3.10 115.31 114.83 2cue h LEU 22 Ca -0.02 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.75 2cue h LEU 22 Cb 1.65 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.42 2cue h LEU 22 CO 0.10 0.55 -0.85 -0.33 0.09 0.00 0.00 178.44 178.01 2cue h GLU 23 N 0.00 0.32 -0.91 1.13 4.39 -1.33 -3.09 114.58 115.10 2cue h GLU 23 Ca -0.01 -0.54 0.08 0.00 0.34 0.00 0.00 59.36 59.24 2cue h GLU 23 Cb 1.24 0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 30.02 2cue h GLU 23 CO 0.07 1.25 0.59 -0.22 -1.16 0.00 0.00 179.01 179.54 2cue h LYS 24 N -0.32 0.93 -0.02 2.33 3.64 -1.57 -0.17 116.57 121.39 2cue h LYS 24 Ca -0.15 -0.06 -0.12 0.00 -1.27 0.00 0.00 60.65 59.06 2cue h LYS 24 Cb 1.66 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 33.26 2cue h LYS 24 CO 0.16 0.61 -0.54 1.49 -2.27 0.00 0.00 179.45 178.91 2cue h GLU 25 N 0.96 0.05 -0.07 1.90 4.57 -1.63 -3.17 114.58 117.19 2cue h GLU 25 Ca 0.41 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 58.51 2cue h GLU 25 Cb 0.32 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2cue h GLU 25 CO -0.17 0.57 -0.13 0.35 -1.18 0.00 0.00 179.01 178.45 2cue h PHE 26 N 0.04 0.27 -0.91 0.92 3.04 -1.00 -1.08 116.94 118.22 2cue h PHE 26 Ca -0.00 -0.10 0.21 0.00 3.98 0.00 0.00 57.97 62.06 2cue h PHE 26 Cb 0.96 -0.05 -0.07 0.00 2.56 0.00 0.00 35.95 39.35 2cue h PHE 26 CO 0.00 0.73 0.61 0.93 -2.02 0.00 0.00 178.31 178.56 2cue h GLU 27 N -0.26 0.36 0.07 1.11 4.39 -1.17 -1.81 114.58 117.26 2cue h GLU 27 Ca 0.00 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.56 2cue h GLU 27 Cb 0.71 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.28 2cue h GLU 27 CO 0.03 0.24 -0.58 -0.09 -1.16 0.00 0.00 179.01 177.45 2cue h ARG 28 N 0.37 0.14 -3.06 2.33 2.43 -1.52 -3.46 114.38 111.61 2cue h ARG 28 Ca 0.47 -0.24 -0.24 0.00 -0.81 0.00 0.00 59.98 59.17 2cue h ARG 28 Cb 1.24 0.09 -0.32 0.00 -0.42 0.00 0.00 29.97 30.55 2cue h ARG 28 CO -0.17 1.11 -0.56 -0.08 -1.51 0.00 0.00 179.97 178.76 2cue s THR 29 N -2.34 -0.18 -0.43 0.20 -1.32 -0.42 -5.01 115.64 106.14 2cue s THR 29 Ca -0.18 0.24 0.26 0.00 -1.21 0.00 0.00 61.69 60.80 2cue s THR 29 Cb 0.00 -0.34 0.30 0.00 -1.51 0.00 0.00 72.50 70.95 2cue s THR 29 CO 0.74 0.10 1.77 0.45 -2.21 0.00 0.00 174.62 175.47 2cue h HIS 30 N 7.74 0.00 -2.68 9.09 3.86 -1.80 -3.34 115.15 128.02 2cue h HIS 30 Ca -0.29 0.00 -0.60 0.00 -1.16 0.00 0.00 60.37 58.32 2cue h HIS 30 Cb 1.13 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 29.21 2cue h HIS 30 CO 0.40 0.00 -0.81 0.71 0.86 0.00 0.00 177.93 179.09 2cue s TYR 31 N -3.31 2.07 -0.47 2.45 2.02 -1.26 -4.97 117.35 113.88 2cue s TYR 31 Ca 0.06 -2.70 -0.28 0.00 -0.37 0.00 0.00 57.07 53.78 2cue s TYR 31 Cb 0.10 -1.65 -0.02 0.00 -0.40 0.00 0.00 41.96 39.99 2cue s TYR 31 CO 0.51 -0.72 1.78 -1.25 -1.57 0.00 0.00 175.55 174.30 2cue s PRO 32 N -0.46 3.05 1.02 -1.71 0.04 -1.26 -4.99 135.00 130.69 2cue s PRO 32 Ca 0.28 0.99 -0.14 0.00 0.04 0.00 0.00 61.00 62.17 2cue s PRO 32 Cb -0.02 -4.26 0.22 0.00 0.04 0.00 0.00 34.50 30.48 2cue s PRO 32 CO -0.17 -2.22 0.50 -0.25 0.04 0.00 0.00 177.00 174.91 2cue n ASP 33 N 11.21 -3.22 -0.13 6.66 8.00 -1.26 -3.93 116.55 133.88 2cue n ASP 33 Ca 0.21 -0.51 0.09 0.00 0.71 0.00 0.00 54.79 55.29 2cue n ASP 33 Cb 0.49 -0.74 0.42 0.00 -0.02 0.00 0.00 41.12 41.27 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 -2.93 0.96 0.00 2.53 3.04 -1.98 0.19 116.25 118.06 2cue h VAL 34 Ca -0.23 -0.20 0.00 0.00 -1.01 0.00 0.00 66.70 65.26 2cue h VAL 34 Cb 0.77 0.32 0.00 0.00 -2.01 0.00 0.00 31.29 30.37 2cue h VAL 34 CO 0.14 0.11 0.00 -0.26 -1.01 0.00 0.00 177.57 176.55 2cue h PHE 35 N 0.59 0.00 0.00 3.17 0.04 -1.99 -1.02 116.94 117.73 2cue h PHE 35 Ca 0.30 0.00 -0.29 0.00 2.80 0.00 0.00 57.97 60.77 2cue h PHE 35 Cb 0.39 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.50 2cue h PHE 35 CO -0.00 0.00 -1.68 0.00 -0.60 0.00 0.00 178.31 176.03 2cue n ALA 36 N -2.07 0.92 0.13 2.45 0.00 0.48 -3.60 120.51 118.83 2cue n ALA 36 Ca -0.00 -0.73 0.06 0.00 0.00 0.00 0.00 53.44 52.76 2cue n ALA 36 Cb 0.23 -0.23 0.52 0.00 0.00 0.00 0.00 19.45 19.97 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 0.26 0.10 0.00 3.08 -1.04 -0.25 114.38 115.54 2cue h ARG 37 Ca -0.44 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 59.59 2cue h ARG 37 Cb 1.35 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.34 2cue h ARG 37 CO -0.27 0.19 -0.05 0.93 -1.07 0.00 0.00 179.97 179.71 2cue h GLU 38 N 0.26 -0.13 -0.69 0.04 5.08 -1.38 0.21 114.58 117.98 2cue h GLU 38 Ca 0.07 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.44 2cue h GLU 38 Cb 0.01 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2cue h GLU 38 CO -0.01 0.34 0.42 0.00 -1.00 0.00 0.00 179.01 178.76 2cue h ARG 39 N -0.67 0.93 -0.45 2.33 2.47 -1.55 -2.70 114.38 114.74 2cue h ARG 39 Ca -0.01 -0.08 -0.13 0.00 -1.26 0.00 0.00 59.98 58.50 2cue h ARG 39 Cb 0.52 -0.20 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 2cue h ARG 39 CO 0.02 0.66 -0.23 1.25 0.56 0.00 0.00 179.97 182.23 2cue h LEU 40 N 0.94 0.98 -1.60 3.04 5.85 -1.10 -2.72 115.31 120.70 2cue h LEU 40 Ca 0.25 -0.41 0.35 0.00 0.84 0.00 0.00 57.88 58.91 2cue h LEU 40 Cb -0.04 -0.27 -0.09 0.00 0.37 0.00 0.00 40.66 40.63 2cue h LEU 40 CO -0.05 1.17 0.82 0.00 -0.34 0.00 0.00 178.44 180.04 2cue h ALA 41 N 0.84 2.73 0.00 1.25 0.00 -0.60 1.18 119.26 124.66 2cue h ALA 41 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2cue h ALA 41 Cb 0.81 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.70 2cue h ALA 41 CO 0.07 -1.19 -1.03 0.00 0.00 0.00 0.00 179.25 177.10 2cue n ALA 42 N -2.60 2.94 0.11 0.00 0.00 -1.12 0.48 120.51 120.32 2cue n ALA 42 Ca 0.30 -0.32 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 2cue n ALA 42 Cb 1.20 -1.04 0.07 0.00 0.00 0.00 0.00 19.45 19.69 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 0.01 0.00 0.00 1.63 0.17 -3.30 116.57 115.07 2cue h LYS 43 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2cue h LYS 43 Cb 0.85 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.49 2cue h LYS 43 CO 0.00 0.75 0.00 0.44 -3.45 0.00 0.00 179.45 177.19 2cue n ILE 44 N -3.65 0.10 -3.15 2.00 -5.35 -0.47 -5.02 119.36 103.81 2cue n ILE 44 Ca -0.01 -0.50 -0.14 0.00 -0.27 0.00 0.00 62.75 61.84 2cue n ILE 44 Cb 0.73 1.04 0.07 0.00 -1.74 0.00 0.00 39.64 39.74 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 -0.05 -2.14 -4.24 7.28 -0.08 -0.44 -4.90 116.55 111.97 2cue n ASP 45 Ca 0.00 -0.49 -0.22 0.00 -1.51 0.00 0.00 54.79 52.57 2cue n ASP 45 Cb 0.05 -4.21 -0.12 0.00 2.34 0.00 0.00 41.12 39.18 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 -5.51 2.30 0.29 -2.67 1.43 0.18 -5.00 118.68 109.69 2cue s LEU 46 Ca 0.01 -0.67 -0.29 0.00 -1.03 0.00 0.00 54.13 52.16 2cue s LEU 46 Cb -0.01 -0.74 -0.10 0.00 0.03 0.00 0.00 46.19 45.38 2cue s LEU 46 CO 0.59 0.00 1.25 -2.16 0.23 0.00 0.00 176.35 176.25 2cue s PRO 47 N -1.88 4.45 0.52 1.29 0.04 -1.26 -4.31 135.00 133.84 2cue s PRO 47 Ca 0.03 2.06 0.19 0.00 0.04 0.00 0.00 61.00 63.32 2cue s PRO 47 Cb -0.10 -3.13 1.02 0.00 0.04 0.00 0.00 34.50 32.33 2cue s PRO 47 CO 0.03 -0.09 1.52 1.49 0.04 0.00 0.00 177.00 180.00 2cue h GLU 48 N 3.96 0.00 0.19 4.56 4.81 -1.93 0.47 114.58 126.64 2cue h GLU 48 Ca -0.47 0.00 -0.31 0.00 -0.13 0.00 0.00 59.36 58.45 2cue h GLU 48 Cb 1.22 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.62 2cue h GLU 48 CO 0.69 0.00 -1.41 0.00 -0.73 0.00 0.00 179.01 177.56 2cue h ALA 49 N 1.07 -0.00 0.46 2.92 0.00 -1.95 -3.29 119.26 118.47 2cue h ALA 49 Ca 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 54.91 53.98 2cue h ALA 49 Cb 0.82 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2cue h ALA 49 CO 0.00 0.87 -0.22 0.00 0.00 0.00 0.00 179.25 179.89 2cue h ARG 50 N 0.11 -0.60 -0.76 0.00 2.47 -0.41 -3.08 114.38 112.11 2cue h ARG 50 Ca -0.21 0.04 0.16 0.00 -1.26 0.00 0.00 59.98 58.71 2cue h ARG 50 Cb 2.07 0.14 -0.14 0.00 -1.65 0.00 0.00 29.97 30.39 2cue h ARG 50 CO 0.23 -0.34 -0.16 0.82 0.56 0.00 0.00 179.97 181.08 2cue h ILE 51 N -0.75 0.25 -0.69 2.04 2.04 -1.67 0.11 117.51 118.84 2cue h ILE 51 Ca -0.06 -0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.94 2cue h ILE 51 Cb 0.54 0.24 -0.13 0.00 -0.74 0.00 0.00 36.82 36.73 2cue h ILE 51 CO 0.10 0.00 -0.11 1.56 0.00 0.00 0.00 178.15 179.71 2cue h GLN 52 N 0.01 0.03 0.48 2.37 4.20 -1.61 -0.76 115.11 119.83 2cue h GLN 52 Ca 0.37 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.06 2cue h GLN 52 Cb 0.59 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2cue h GLN 52 CO -0.77 0.02 -0.23 0.28 -0.67 0.00 0.00 178.83 177.47 2cue h VAL 53 N 0.04 0.00 -0.91 -0.54 2.07 -0.79 -0.59 116.25 115.52 2cue h VAL 53 Ca 0.34 -0.08 0.29 0.00 0.82 0.00 0.00 66.70 68.08 2cue h VAL 53 Cb 0.55 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 30.16 2cue h VAL 53 CO -0.67 0.00 0.17 1.87 0.02 0.00 0.00 177.57 178.97 2cue n TRP 54 N -3.95 0.74 -0.09 1.57 -0.00 -0.75 0.15 117.44 115.10 2cue n TRP 54 Ca -0.08 1.09 -0.13 0.00 -0.00 0.00 0.00 57.50 58.38 2cue n TRP 54 Cb 0.25 -1.28 -0.04 0.00 -0.00 0.00 0.00 31.31 30.24 2cue n TRP 54 CO 0.00 0.00 0.00 0.74 -0.00 0.00 0.00 177.69 178.43 2cue h PHE 55 N 0.00 0.86 -0.25 5.87 -1.00 -1.07 -2.60 116.94 118.75 2cue h PHE 55 Ca 0.63 -0.26 0.06 0.00 2.81 0.00 0.00 57.97 61.21 2cue h PHE 55 Cb 1.44 -0.18 -0.07 0.00 3.61 0.00 0.00 35.95 40.75 2cue h PHE 55 CO -0.32 1.01 -0.21 1.03 -1.61 0.00 0.00 178.31 178.22 2cue h SER 56 N 0.47 -0.67 -0.87 2.17 0.87 0.30 -0.81 113.55 115.01 2cue h SER 56 Ca 0.05 0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.71 2cue h SER 56 Cb 0.87 0.33 -0.04 0.00 -0.44 0.00 0.00 62.40 63.11 2cue h SER 56 CO 0.07 -0.25 0.43 0.78 -0.53 0.00 0.00 176.83 177.34 2cue h ASN 57 N -0.20 1.12 0.12 6.23 2.35 -1.32 -3.02 115.58 120.87 2cue h ASN 57 Ca 0.14 -0.13 0.02 0.00 -0.55 0.00 0.00 56.30 55.78 2cue h ASN 57 Cb 0.42 -0.29 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 2cue h ASN 57 CO -0.37 0.93 -0.26 0.03 -1.65 0.00 0.00 177.43 176.11 2cue h ARG 58 N 1.23 -0.45 -1.08 0.81 2.47 -0.86 -1.76 114.38 114.74 2cue h ARG 58 Ca 0.30 0.03 0.39 0.00 -1.26 0.00 0.00 59.98 59.44 2cue h ARG 58 Cb 0.10 0.10 -0.16 0.00 -1.65 0.00 0.00 29.97 28.36 2cue h ARG 58 CO -0.04 -0.30 0.62 0.00 0.56 0.00 0.00 179.97 180.81 2cue h ARG 59 N -0.47 0.13 -0.20 0.04 3.08 -1.05 1.47 114.38 117.37 2cue h ARG 59 Ca 0.03 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 59.92 2cue h ARG 59 Cb 0.49 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2cue h ARG 59 CO -0.14 0.08 -0.49 0.00 -1.07 0.00 0.00 179.97 178.35 2cue h ALA 60 N 1.86 0.77 0.00 0.04 0.00 -1.37 0.14 119.26 120.70 2cue h ALA 60 Ca 0.80 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 55.20 2cue h ALA 60 Cb 2.13 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 19.82 2cue h ALA 60 CO -0.63 0.67 -0.13 -0.22 0.00 0.00 0.00 179.25 178.94 2cue h LYS 61 N 0.43 0.00 0.04 0.00 3.64 0.22 -2.53 116.57 118.37 2cue h LYS 61 Ca 0.02 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.15 2cue h LYS 61 Cb 1.01 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.81 2cue h LYS 61 CO 0.09 0.13 -1.36 2.35 -2.27 0.00 0.00 179.45 178.39 2cue h TRP 62 N 0.00 0.17 -0.19 1.91 7.01 -0.15 -3.01 115.95 121.69 2cue h TRP 62 Ca -0.00 -0.12 -0.05 0.00 2.11 0.00 0.00 58.89 60.82 2cue h TRP 62 Cb 1.00 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 28.04 2cue h TRP 62 CO 0.00 1.53 -0.13 0.00 -2.79 0.00 0.00 178.44 177.06 2cue h ARG 63 N -0.68 0.31 0.05 2.65 3.08 -0.82 0.26 114.38 119.24 2cue h ARG 63 Ca -0.34 -0.08 -0.27 0.00 0.07 0.00 0.00 59.98 59.36 2cue h ARG 63 Cb 1.51 -0.04 0.02 0.00 0.08 0.00 0.00 29.97 31.54 2cue h ARG 63 CO -0.10 0.44 -1.11 0.07 -1.07 0.00 0.00 179.97 178.21 2cue h ARG 64 N 0.29 0.61 0.25 0.04 0.11 -1.61 -3.30 114.38 110.77 2cue h ARG 64 Ca 0.06 -0.72 -0.01 0.00 0.10 0.00 0.00 59.98 59.40 2cue h ARG 64 Cb 0.40 0.22 0.00 0.00 1.11 0.00 0.00 29.97 31.71 2cue h ARG 64 CO 0.02 1.31 -0.12 0.93 0.10 0.00 0.00 179.97 182.21 2cue h GLU 65 N 0.32 -0.32 -1.08 0.08 5.08 -1.35 -3.22 114.58 114.09 2cue h GLU 65 Ca -0.14 0.02 0.38 0.00 -1.00 0.00 0.00 59.36 58.62 2cue h GLU 65 Cb 1.77 0.07 -0.11 0.00 0.50 0.00 0.00 28.75 30.98 2cue h GLU 65 CO 0.21 -0.12 0.69 -1.91 -1.00 0.00 0.00 179.01 176.88 2cue n GLU 66 N -4.99 -0.03 -0.03 2.33 0.00 0.91 0.20 120.64 119.02 2cue n GLU 66 Ca -0.05 1.01 -0.13 0.00 0.00 0.00 0.00 57.16 57.99 2cue n GLU 66 Cb 0.17 -1.97 -0.08 0.00 0.00 0.00 0.00 31.44 29.56 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 0.15 -0.67 5.31 1.63 -1.63 -3.05 116.57 118.31 2cue h LYS 67 Ca 0.70 -0.07 0.14 0.00 -0.85 0.00 0.00 60.65 60.57 2cue h LYS 67 Cb 2.24 -0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 33.83 2cue h LYS 67 CO -0.39 0.56 0.46 -0.07 -3.45 0.00 0.00 179.45 176.56 2cue h LEU 68 N -0.26 0.27 0.10 5.20 3.38 0.22 -1.75 115.31 122.47 2cue h LEU 68 Ca 0.01 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2cue h LEU 68 Cb 0.52 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2cue h LEU 68 CO 0.01 0.14 -0.10 0.03 0.09 0.00 0.00 178.44 178.62 2cue h ARG 69 N 0.29 -0.21 -0.78 1.13 2.47 -1.27 -2.47 114.38 113.54 2cue h ARG 69 Ca 0.32 0.01 0.01 0.00 -1.26 0.00 0.00 59.98 59.07 2cue h ARG 69 Cb 0.87 0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 29.19 2cue h ARG 69 CO -0.08 -0.14 0.52 -0.97 0.56 0.00 0.00 179.97 179.86 2cue h ASN 70 N -0.22 0.89 0.04 7.04 -1.24 -1.35 -0.44 115.58 120.31 2cue h ASN 70 Ca 0.00 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.99 2cue h ASN 70 Cb 0.21 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 39.04 2cue h ASN 70 CO -0.03 0.64 0.00 1.56 -1.29 0.00 0.00 177.43 178.31 2cue h GLN 71 N 1.05 0.00 0.03 6.67 4.20 -1.07 -0.81 115.11 125.18 2cue h GLN 71 Ca 0.29 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.72 2cue h GLN 71 Cb -0.10 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.64 2cue h GLN 71 CO -0.07 0.00 -1.57 0.00 -0.67 0.00 0.00 178.83 176.52 2cue h ARG 72 N 0.00 0.06 -6.10 1.46 3.08 -0.85 -3.48 114.38 108.55 2cue h ARG 72 Ca 0.00 -0.09 -0.65 0.00 0.07 0.00 0.00 59.98 59.30 2cue h ARG 72 Cb 0.02 0.04 0.11 0.00 0.08 0.00 0.00 29.97 30.22 2cue h ARG 72 CO 0.00 0.73 -0.43 -2.13 -1.07 0.00 0.00 179.97 177.07 2cue n ARG 73 N -3.19 0.26 -2.01 0.04 0.63 -0.31 -4.73 116.66 107.34 2cue n ARG 73 Ca -0.15 0.09 -0.29 0.00 -0.92 0.00 0.00 57.85 56.58 2cue n ARG 73 Cb 1.03 -1.17 -0.05 0.00 0.45 0.00 0.00 32.46 32.73 2cue n ARG 73 CO 0.00 0.00 0.00 -0.65 -2.51 0.00 0.00 177.63 174.47 2cue s GLN 74 N -1.12 2.52 -0.13 -0.14 -0.21 -1.26 -4.89 119.66 114.43 2cue s GLN 74 Ca 0.63 0.01 -0.05 0.00 0.02 0.00 0.00 55.36 55.97 2cue s GLN 74 Cb -0.86 -4.87 0.06 0.00 1.00 0.00 0.00 33.01 28.35 2cue s GLN 74 CO 0.57 -3.26 0.27 -1.54 -2.12 0.00 0.00 175.29 169.21 2cue s SER 75 N 8.28 0.25 0.87 5.90 1.04 -1.26 -5.15 113.70 123.63 2cue s SER 75 Ca 0.71 0.61 -0.16 0.00 0.48 0.00 0.00 55.95 57.59 2cue s SER 75 Cb -0.09 0.71 -0.11 0.00 0.10 0.00 0.00 66.02 66.63 2cue s SER 75 CO 0.06 -0.23 -0.36 0.61 0.98 0.00 0.00 173.24 174.29 2cue n GLY 76 N 5.23 -3.68 3.77 7.32 0.00 -1.26 -4.89 105.19 111.67 2cue n GLY 76 Ca -0.08 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 2cue n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cue s PRO 77 N -2.15 3.37 -0.11 1.61 0.04 -1.26 -5.00 135.00 131.51 2cue s PRO 77 Ca 0.48 1.62 -0.07 0.00 0.04 0.00 0.00 61.00 63.07 2cue s PRO 77 Cb -0.26 -2.01 -0.05 0.00 0.04 0.00 0.00 34.50 32.22 2cue s PRO 77 CO 0.75 -0.84 -0.17 0.43 0.04 0.00 0.00 177.00 177.21 2cue n SER 78 N -1.28 1.06 -3.69 6.66 7.64 -1.26 -5.03 113.62 117.71 2cue n SER 78 Ca 0.12 0.18 -0.25 0.00 1.01 0.00 0.00 58.87 59.92 2cue n SER 78 Cb 0.51 -0.42 0.06 0.00 -1.01 0.00 0.00 64.21 63.35 2cue n SER 78 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2cue n SER 79 N -3.67 -4.81 0.00 6.43 7.64 -1.26 -5.36 113.62 112.59 2cue n SER 79 Ca -0.21 -0.66 0.00 0.00 1.01 0.00 0.00 58.87 59.01 2cue n SER 79 Cb 0.58 -4.57 0.00 0.00 -1.01 0.00 0.00 64.21 59.21 2cue n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64