#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 3.27 -4.57 1.61 2.88 -1.26 -5.02 113.62 110.53 2cue n SER 2 Ca 0.00 1.13 -0.27 0.00 -1.33 0.00 0.00 58.87 58.40 2cue n SER 2 Cb 0.00 -1.59 -0.11 0.00 -0.75 0.00 0.00 64.21 61.76 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 -0.45 3.77 0.00 -3.46 0.01 -1.26 -5.15 113.70 107.17 2cue s SER 3 Ca 0.61 -1.25 0.00 0.00 1.31 0.00 0.00 55.95 56.62 2cue s SER 3 Cb -0.46 -0.36 0.00 0.00 0.21 0.00 0.00 66.02 65.41 2cue s SER 3 CO 0.58 -0.27 0.00 0.61 0.41 0.00 0.00 173.24 174.57 2cue n GLY 4 N -0.84 1.53 3.94 3.44 0.00 -1.26 -5.17 105.19 106.83 2cue n GLY 4 Ca -0.05 -0.35 -0.24 0.00 0.00 0.00 0.00 46.02 45.38 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 0.00 6.31 -0.26 1.61 0.01 -1.26 -5.11 113.70 115.00 2cue s SER 5 Ca 0.00 0.39 -0.09 0.00 1.31 0.00 0.00 55.95 57.56 2cue s SER 5 Cb 0.00 -2.01 0.11 0.00 0.21 0.00 0.00 66.02 64.33 2cue s SER 5 CO 0.00 -0.25 0.56 -0.94 0.41 0.00 0.00 173.24 173.02 2cue s SER 6 N -3.97 -0.78 -0.11 2.44 1.04 -1.26 -5.15 113.70 105.91 2cue s SER 6 Ca 0.39 1.33 0.01 0.00 0.48 0.00 0.00 55.95 58.16 2cue s SER 6 Cb -0.10 1.85 0.02 0.00 0.10 0.00 0.00 66.02 67.89 2cue s SER 6 CO 0.34 -0.22 -0.14 -0.83 0.98 0.00 0.00 173.24 173.37 2cue s GLY 7 N 2.69 1.03 -1.00 7.32 0.00 -1.26 -5.04 107.32 111.06 2cue s GLY 7 Ca -0.05 -0.74 -0.01 0.00 0.00 0.00 0.00 44.72 43.92 2cue s GLY 7 CO -0.16 0.31 1.88 0.61 0.00 0.00 0.00 173.10 175.74 2cue n GLN 8 N 4.33 4.89 -4.04 2.90 0.00 -1.26 -4.94 117.38 119.26 2cue n GLN 8 Ca -0.18 -4.41 -0.34 0.00 0.00 0.00 0.00 57.00 52.07 2cue n GLN 8 Cb 0.51 -2.43 -0.15 0.00 0.00 0.00 0.00 30.24 28.17 2cue n GLN 8 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2cue s ARG 9 N -4.21 3.09 -0.05 2.61 3.00 -1.26 -5.10 118.95 117.03 2cue s ARG 9 Ca 0.42 -0.78 -0.14 0.00 0.00 0.00 0.00 55.73 55.23 2cue s ARG 9 Cb 0.24 -2.74 0.03 0.00 0.00 0.00 0.00 34.95 32.47 2cue s ARG 9 CO -0.19 -0.22 0.31 0.54 0.00 0.00 0.00 175.30 175.74 2cue s ASN 10 N 1.35 -0.24 -0.10 0.23 2.20 -1.26 -5.16 114.94 111.96 2cue s ASN 10 Ca 0.05 0.28 0.01 0.00 -0.94 0.00 0.00 52.86 52.25 2cue s ASN 10 Cb -0.14 0.44 -0.02 0.00 -2.00 0.00 0.00 41.25 39.53 2cue s ASN 10 CO -0.09 -0.34 -0.11 -0.13 -2.94 0.00 0.00 177.10 173.49 2cue s ARG 11 N -0.83 3.08 0.40 3.55 1.81 -1.26 -5.01 118.95 120.70 2cue s ARG 11 Ca -0.09 -0.64 0.06 0.00 -1.72 0.00 0.00 55.73 53.34 2cue s ARG 11 Cb -0.04 -2.60 0.82 0.00 -0.45 0.00 0.00 34.95 32.68 2cue s ARG 11 CO 0.03 0.40 2.04 0.00 -0.68 0.00 0.00 175.30 177.09 2cue h THR 12 N 4.89 1.10 -4.12 0.02 1.03 -2.06 -3.46 112.91 110.31 2cue h THR 12 Ca -0.36 -0.21 -0.26 0.00 -0.01 0.00 0.00 66.41 65.57 2cue h THR 12 Cb 1.19 0.43 0.09 0.00 -1.07 0.00 0.00 68.15 68.79 2cue h THR 12 CO 0.55 0.11 -0.44 -1.20 -0.01 0.00 0.00 175.52 174.53 2cue n SER 13 N -4.47 -4.86 -3.46 0.00 7.64 -1.26 -5.00 113.62 102.22 2cue n SER 13 Ca 0.05 -0.35 -0.07 0.00 1.01 0.00 0.00 58.87 59.51 2cue n SER 13 Cb 0.08 -3.45 0.00 0.00 -1.01 0.00 0.00 64.21 59.83 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 -3.20 -0.05 0.16 1.43 0.08 -1.26 -5.14 117.98 110.00 2cue s PHE 14 Ca 0.38 -0.47 0.11 0.00 0.12 0.00 0.00 56.93 57.06 2cue s PHE 14 Cb -0.17 0.75 -0.04 0.00 -0.57 0.00 0.00 43.02 42.99 2cue s PHE 14 CO 0.47 -1.29 -0.24 0.95 -0.10 0.00 0.00 175.22 175.01 2cue s THR 15 N -3.10 2.42 0.53 0.64 -4.23 -1.26 -4.98 115.64 105.67 2cue s THR 15 Ca 0.14 -1.87 0.35 0.00 -1.18 0.00 0.00 61.69 59.13 2cue s THR 15 Cb -0.05 -2.13 0.54 0.00 1.34 0.00 0.00 72.50 72.20 2cue s THR 15 CO 0.08 -0.02 1.81 -0.61 -0.54 0.00 0.00 174.62 175.34 2cue h GLN 16 N 3.47 0.02 -0.13 3.99 -0.00 -2.02 0.87 115.11 121.30 2cue h GLN 16 Ca -0.48 -0.00 -0.08 0.00 -0.00 0.00 0.00 58.65 58.08 2cue h GLN 16 Cb 1.19 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.65 2cue h GLN 16 CO 0.45 0.02 -0.28 0.93 0.00 0.00 0.00 178.83 179.94 2cue h GLU 17 N 0.02 0.24 0.10 1.69 5.08 -2.01 -2.41 114.58 117.30 2cue h GLU 17 Ca 0.55 -0.09 -0.35 0.00 -1.00 0.00 0.00 59.36 58.48 2cue h GLU 17 Cb 2.16 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 31.37 2cue h GLU 17 CO -0.03 0.51 -1.90 1.04 -1.00 0.00 0.00 179.01 177.64 2cue n GLN 18 N -4.14 0.73 -0.21 2.33 6.02 0.27 -4.06 117.38 118.32 2cue n GLN 18 Ca -0.01 0.31 0.12 0.00 -0.01 0.00 0.00 57.00 57.40 2cue n GLN 18 Cb 0.38 -1.71 0.42 0.00 1.02 0.00 0.00 30.24 30.35 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 -0.11 0.87 -0.48 5.09 2.04 -0.66 0.28 117.51 124.55 2cue h ILE 19 Ca -0.42 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.21 2cue h ILE 19 Cb 1.92 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 38.18 2cue h ILE 19 CO 0.03 0.11 0.23 1.05 0.00 0.00 0.00 178.15 179.57 2cue h GLU 20 N 0.61 0.69 0.01 2.37 4.11 -1.59 0.55 114.58 121.33 2cue h GLU 20 Ca 0.38 -0.10 -0.19 0.00 0.07 0.00 0.00 59.36 59.52 2cue h GLU 20 Cb 0.63 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.74 2cue h GLU 20 CO -0.15 0.58 -0.87 0.00 0.07 0.00 0.00 179.01 178.65 2cue h ALA 21 N 1.07 0.56 0.00 1.06 0.00 -1.39 -2.61 119.26 117.94 2cue h ALA 21 Ca 0.16 -0.75 -0.05 0.00 0.00 0.00 0.00 54.91 54.27 2cue h ALA 21 Cb 0.12 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2cue h ALA 21 CO -0.02 0.99 -0.24 -0.07 0.00 0.00 0.00 179.25 179.91 2cue h LEU 22 N 0.05 0.00 0.16 0.00 3.38 -0.24 -2.94 115.31 115.71 2cue h LEU 22 Ca -0.03 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.65 2cue h LEU 22 Cb 1.51 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.27 2cue h LEU 22 CO 0.12 0.24 -1.41 -0.33 0.09 0.00 0.00 178.44 177.15 2cue h GLU 23 N 0.00 0.34 -0.69 1.13 5.08 -0.84 -3.12 114.58 116.48 2cue h GLU 23 Ca -0.00 -0.58 0.02 0.00 -1.00 0.00 0.00 59.36 57.80 2cue h GLU 23 Cb 0.86 0.21 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 2cue h GLU 23 CO 0.03 1.28 0.46 -0.22 -1.00 0.00 0.00 179.01 179.55 2cue h LYS 24 N -0.14 0.86 0.00 2.33 3.64 -1.47 0.15 116.57 121.94 2cue h LYS 24 Ca -0.28 -0.05 -0.06 0.00 -1.27 0.00 0.00 60.65 58.99 2cue h LYS 24 Cb 1.89 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 33.51 2cue h LYS 24 CO 0.14 0.57 -0.30 1.49 -2.27 0.00 0.00 179.45 179.08 2cue h GLU 25 N 0.88 0.00 0.21 1.90 4.57 -1.64 -3.19 114.58 117.31 2cue h GLU 25 Ca 0.26 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 58.13 2cue h GLU 25 Cb -0.02 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.59 2cue h GLU 25 CO -0.07 0.30 -1.46 0.35 -1.18 0.00 0.00 179.01 176.95 2cue h PHE 26 N 0.00 0.79 0.00 0.92 3.04 -1.10 -2.50 116.94 118.10 2cue h PHE 26 Ca -0.00 -0.58 -0.00 0.00 3.98 0.00 0.00 57.97 61.37 2cue h PHE 26 Cb 1.03 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.51 2cue h PHE 26 CO 0.00 1.56 -0.01 1.05 -2.02 0.00 0.00 178.31 178.89 2cue h GLU 27 N 0.01 0.00 0.11 1.11 4.11 -0.79 -2.49 114.58 116.64 2cue h GLU 27 Ca -0.27 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 58.80 2cue h GLU 27 Cb 2.03 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 31.26 2cue h GLU 27 CO 0.21 0.01 -2.00 -2.13 0.07 0.00 0.00 179.01 175.17 2cue n ARG 28 N -3.73 0.75 -3.67 1.06 3.00 -1.21 -4.93 116.66 107.94 2cue n ARG 28 Ca -0.03 0.27 -0.10 0.00 -0.00 0.00 0.00 57.85 57.99 2cue n ARG 28 Cb 0.09 -1.70 -0.10 0.00 0.00 0.00 0.00 32.46 30.75 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 -2.55 -0.47 -0.69 5.15 -1.32 -0.94 -5.01 115.64 109.81 2cue s THR 29 Ca -0.23 0.17 0.21 0.00 -1.21 0.00 0.00 61.69 60.63 2cue s THR 29 Cb 0.07 -0.61 0.21 0.00 -1.51 0.00 0.00 72.50 70.66 2cue s THR 29 CO 0.75 0.07 1.65 1.41 -2.21 0.00 0.00 174.62 176.30 2cue n HIS 30 N 5.14 0.53 -3.54 9.09 8.25 -1.22 -4.00 115.22 129.47 2cue n HIS 30 Ca -0.11 0.20 -0.27 0.00 -0.26 0.00 0.00 57.72 57.27 2cue n HIS 30 Cb 0.51 -0.82 -0.11 0.00 1.12 0.00 0.00 29.99 30.69 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 -3.18 1.78 -0.56 4.41 2.02 -1.26 -4.93 117.35 115.62 2cue s TYR 31 Ca 0.06 -2.59 -0.27 0.00 -0.37 0.00 0.00 57.07 53.91 2cue s TYR 31 Cb 0.10 -1.43 -0.02 0.00 -0.40 0.00 0.00 41.96 40.21 2cue s TYR 31 CO 0.38 -0.75 1.83 -1.25 -1.57 0.00 0.00 175.55 174.19 2cue s PRO 32 N -0.31 2.76 0.98 -1.71 0.04 -1.26 -4.97 135.00 130.53 2cue s PRO 32 Ca 0.30 0.73 -0.17 0.00 0.04 0.00 0.00 61.00 61.90 2cue s PRO 32 Cb -0.00 -4.35 0.03 0.00 0.04 0.00 0.00 34.50 30.23 2cue s PRO 32 CO -0.18 -2.56 -0.32 -0.25 0.04 0.00 0.00 177.00 173.73 2cue n ASP 33 N 12.25 -2.69 -0.16 6.66 8.00 -1.26 -3.82 116.55 135.52 2cue n ASP 33 Ca 0.21 -0.16 0.17 0.00 0.71 0.00 0.00 54.79 55.71 2cue n ASP 33 Cb 0.51 -0.72 0.54 0.00 -0.02 0.00 0.00 41.12 41.43 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 -1.97 0.76 0.00 2.53 3.04 -1.99 0.49 116.25 119.10 2cue h VAL 34 Ca -0.35 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 2cue h VAL 34 Cb 1.03 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 30.69 2cue h VAL 34 CO 0.22 0.06 0.00 -0.26 -1.01 0.00 0.00 177.57 176.59 2cue h PHE 35 N 0.35 0.00 0.00 3.17 0.04 -2.00 -1.82 116.94 116.68 2cue h PHE 35 Ca 0.38 0.00 -0.23 0.00 2.80 0.00 0.00 57.97 60.92 2cue h PHE 35 Cb 0.96 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 39.08 2cue h PHE 35 CO -0.00 0.00 -1.47 0.00 -0.60 0.00 0.00 178.31 176.24 2cue n ALA 36 N -1.97 0.85 -0.30 2.45 0.00 0.16 -3.72 120.51 117.99 2cue n ALA 36 Ca 0.01 -0.69 0.05 0.00 0.00 0.00 0.00 53.44 52.80 2cue n ALA 36 Cb 0.24 -0.18 0.26 0.00 0.00 0.00 0.00 19.45 19.77 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 0.94 0.61 0.00 3.08 -1.25 -0.67 114.38 116.09 2cue h ARG 37 Ca -0.35 -0.06 -0.03 0.00 0.07 0.00 0.00 59.98 59.61 2cue h ARG 37 Cb 1.21 -0.21 0.01 0.00 0.08 0.00 0.00 29.97 31.06 2cue h ARG 37 CO -0.21 0.63 -0.29 0.93 -1.07 0.00 0.00 179.97 179.95 2cue h GLU 38 N 0.97 -0.79 -0.62 0.04 5.08 -1.53 0.27 114.58 118.00 2cue h GLU 38 Ca 0.40 0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.91 2cue h GLU 38 Cb 0.29 0.18 -0.07 0.00 0.50 0.00 0.00 28.75 29.65 2cue h GLU 38 CO -0.16 -0.48 0.24 0.00 -1.00 0.00 0.00 179.01 177.61 2cue h ARG 39 N -1.00 0.42 -0.49 2.33 3.08 -1.58 -1.44 114.38 115.71 2cue h ARG 39 Ca -0.08 -0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.84 2cue h ARG 39 Cb 0.68 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.61 2cue h ARG 39 CO 0.14 0.28 -0.09 1.25 -1.07 0.00 0.00 179.97 180.47 2cue h LEU 40 N 0.44 0.89 -0.98 3.04 5.85 -1.09 -2.64 115.31 120.82 2cue h LEU 40 Ca 0.31 -0.27 0.30 0.00 0.84 0.00 0.00 57.88 59.05 2cue h LEU 40 Cb 0.36 -0.24 -0.15 0.00 0.37 0.00 0.00 40.66 41.01 2cue h LEU 40 CO -0.29 1.00 0.50 0.00 -0.34 0.00 0.00 178.44 179.31 2cue h ALA 41 N 1.08 1.80 0.00 1.25 0.00 0.67 1.04 119.26 125.11 2cue h ALA 41 Ca 0.13 0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2cue h ALA 41 Cb 0.61 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2cue h ALA 41 CO 0.04 -0.53 -0.69 0.00 0.00 0.00 0.00 179.25 178.08 2cue h ALA 42 N 1.83 0.54 -0.01 0.00 0.00 -1.45 0.40 119.26 120.58 2cue h ALA 42 Ca 0.69 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.43 2cue h ALA 42 Cb 1.53 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.30 2cue h ALA 42 CO -0.61 0.00 -0.77 -0.22 0.00 0.00 0.00 179.25 177.65 2cue h LYS 43 N 0.00 0.09 0.00 0.00 3.64 0.14 -3.31 116.57 117.13 2cue h LYS 43 Ca 0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2cue h LYS 43 Cb 0.75 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 2cue h LYS 43 CO 0.00 0.82 0.00 0.44 -2.27 0.00 0.00 179.45 178.44 2cue n ILE 44 N -3.68 0.26 -3.32 2.00 -5.35 -0.27 -5.02 119.36 103.99 2cue n ILE 44 Ca -0.02 -0.56 -0.16 0.00 -0.27 0.00 0.00 62.75 61.74 2cue n ILE 44 Cb 0.74 0.96 0.08 0.00 -1.74 0.00 0.00 39.64 39.68 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 -0.13 -2.75 -4.25 7.28 -0.08 -0.23 -4.91 116.55 111.47 2cue n ASP 45 Ca 0.00 -0.54 -0.23 0.00 -1.51 0.00 0.00 54.79 52.51 2cue n ASP 45 Cb 0.11 -4.64 -0.12 0.00 2.34 0.00 0.00 41.12 38.81 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 -6.05 2.29 0.31 -2.67 1.43 0.12 -5.00 118.68 109.11 2cue s LEU 46 Ca 0.10 -0.66 -0.29 0.00 -1.03 0.00 0.00 54.13 52.25 2cue s LEU 46 Cb -0.04 -0.80 -0.10 0.00 0.03 0.00 0.00 46.19 45.28 2cue s LEU 46 CO 0.65 0.03 1.23 -2.16 0.23 0.00 0.00 176.35 176.34 2cue s PRO 47 N -1.82 4.46 0.46 1.29 0.04 -1.26 -4.33 135.00 133.84 2cue s PRO 47 Ca 0.04 2.06 0.19 0.00 0.04 0.00 0.00 61.00 63.33 2cue s PRO 47 Cb -0.10 -3.12 1.01 0.00 0.04 0.00 0.00 34.50 32.34 2cue s PRO 47 CO 0.04 -0.05 1.51 1.49 0.04 0.00 0.00 177.00 180.03 2cue h GLU 48 N 3.64 0.00 0.08 4.56 4.81 -1.94 0.53 114.58 126.26 2cue h GLU 48 Ca -0.48 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.48 2cue h GLU 48 Cb 1.22 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.59 2cue h GLU 48 CO 0.67 0.00 -1.29 0.00 -0.73 0.00 0.00 179.01 177.65 2cue h ALA 49 N 1.19 0.28 0.11 2.92 0.00 -1.97 -3.31 119.26 118.48 2cue h ALA 49 Ca 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 54.91 53.90 2cue h ALA 49 Cb 0.68 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2cue h ALA 49 CO 0.00 1.15 -0.05 0.00 0.00 0.00 0.00 179.25 180.35 2cue h ARG 50 N 0.04 -0.14 -0.66 0.00 2.47 -0.30 -3.23 114.38 112.57 2cue h ARG 50 Ca -0.14 0.01 0.13 0.00 -1.26 0.00 0.00 59.98 58.72 2cue h ARG 50 Cb 1.93 0.03 -0.13 0.00 -1.65 0.00 0.00 29.97 30.16 2cue h ARG 50 CO 0.16 0.25 -0.21 0.82 0.56 0.00 0.00 179.97 181.56 2cue h ILE 51 N -0.56 0.29 -0.58 2.04 2.04 -1.66 -0.34 117.51 118.73 2cue h ILE 51 Ca -0.01 0.00 0.11 0.00 1.00 0.00 0.00 64.86 65.96 2cue h ILE 51 Cb 0.46 0.29 -0.11 0.00 -0.74 0.00 0.00 36.82 36.71 2cue h ILE 51 CO 0.02 0.00 -0.27 1.56 0.00 0.00 0.00 178.15 179.47 2cue h GLN 52 N -0.04 -0.11 0.46 2.37 4.20 -1.64 0.63 115.11 120.99 2cue h GLN 52 Ca 0.31 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 59.01 2cue h GLN 52 Cb 0.51 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 2cue h GLN 52 CO -0.70 -0.08 -0.27 0.28 -0.67 0.00 0.00 178.83 177.39 2cue h VAL 53 N -0.12 0.44 -1.01 -0.54 2.07 -1.12 0.14 116.25 116.10 2cue h VAL 53 Ca 0.25 0.00 0.25 0.00 0.82 0.00 0.00 66.70 68.02 2cue h VAL 53 Cb 0.52 0.44 -0.09 0.00 -1.52 0.00 0.00 31.29 30.64 2cue h VAL 53 CO -0.65 0.00 0.66 -0.25 0.02 0.00 0.00 177.57 177.35 2cue h TRP 54 N -0.70 0.61 0.07 1.57 7.01 -0.45 0.15 115.95 124.21 2cue h TRP 54 Ca -0.05 0.02 -0.27 0.00 2.11 0.00 0.00 58.89 60.69 2cue h TRP 54 Cb 0.57 -0.18 0.02 0.00 -2.10 0.00 0.00 29.16 27.46 2cue h TRP 54 CO -0.09 0.08 -1.13 0.74 -2.79 0.00 0.00 178.44 175.26 2cue h PHE 55 N 0.39 0.87 0.35 2.65 -1.00 -0.37 -2.88 116.94 116.95 2cue h PHE 55 Ca 0.56 -0.52 -0.00 0.00 2.81 0.00 0.00 57.97 60.82 2cue h PHE 55 Cb 1.44 -0.08 -0.03 0.00 3.61 0.00 0.00 35.95 40.89 2cue h PHE 55 CO -0.00 1.36 -0.42 1.03 -1.61 0.00 0.00 178.31 178.67 2cue h SER 56 N 0.27 -1.16 -0.23 2.17 0.87 0.21 -1.54 113.55 114.13 2cue h SER 56 Ca -0.14 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.51 2cue h SER 56 Cb 1.79 0.40 -0.01 0.00 -0.44 0.00 0.00 62.40 64.14 2cue h SER 56 CO 0.21 -0.55 0.11 0.78 -0.53 0.00 0.00 176.83 176.84 2cue h ASN 57 N -0.81 0.35 0.08 6.23 2.35 -1.51 -2.81 115.58 119.47 2cue h ASN 57 Ca -0.03 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.71 2cue h ASN 57 Cb 0.74 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 2cue h ASN 57 CO -0.11 0.33 -0.14 -0.09 -1.65 0.00 0.00 177.43 175.78 2cue h ARG 58 N 0.40 -0.27 -1.00 0.81 9.65 -1.15 -2.10 114.38 120.71 2cue h ARG 58 Ca 0.10 0.02 0.26 0.00 -1.10 0.00 0.00 59.98 59.26 2cue h ARG 58 Cb 0.10 0.06 -0.13 0.00 -1.39 0.00 0.00 29.97 28.61 2cue h ARG 58 CO -0.01 -0.18 0.59 0.00 2.80 0.00 0.00 179.97 183.17 2cue h ARG 59 N -0.28 0.52 -0.34 0.20 3.08 -1.03 0.20 114.38 116.72 2cue h ARG 59 Ca 0.02 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2cue h ARG 59 Cb 0.29 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2cue h ARG 59 CO -0.08 0.34 0.04 0.00 -1.07 0.00 0.00 179.97 179.21 2cue h ALA 60 N 1.75 0.46 -0.30 0.04 0.00 -1.43 0.17 119.26 119.96 2cue h ALA 60 Ca 0.66 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 55.28 2cue h ALA 60 Cb 1.30 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 2cue h ALA 60 CO -0.50 0.17 -0.14 -0.22 0.00 0.00 0.00 179.25 178.57 2cue h LYS 61 N 0.41 0.51 0.02 0.00 3.64 -0.22 -0.91 116.57 120.01 2cue h LYS 61 Ca 0.10 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2cue h LYS 61 Cb 0.38 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2cue h LYS 61 CO 0.01 0.64 -0.01 2.35 -2.27 0.00 0.00 179.45 180.17 2cue h TRP 62 N 0.47 -0.02 -0.48 1.91 7.01 -0.58 -2.16 115.95 122.09 2cue h TRP 62 Ca 0.08 -0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.12 2cue h TRP 62 Cb 0.52 0.01 -0.04 0.00 -2.10 0.00 0.00 29.16 27.55 2cue h TRP 62 CO 0.02 0.68 0.27 0.00 -2.79 0.00 0.00 178.44 176.61 2cue h ARG 63 N -0.75 0.51 -0.54 2.65 3.08 -0.63 0.17 114.38 118.87 2cue h ARG 63 Ca -0.00 -0.03 -0.03 0.00 0.07 0.00 0.00 59.98 59.98 2cue h ARG 63 Cb 0.70 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 2cue h ARG 63 CO 0.00 0.34 0.21 0.07 -1.07 0.00 0.00 179.97 179.52 2cue h ARG 64 N 0.53 0.82 0.72 0.04 0.11 -1.26 -3.15 114.38 112.18 2cue h ARG 64 Ca 0.20 -0.15 -0.04 0.00 0.10 0.00 0.00 59.98 60.09 2cue h ARG 64 Cb 0.07 -0.13 0.01 0.00 1.11 0.00 0.00 29.97 31.03 2cue h ARG 64 CO -0.12 0.72 -0.35 0.93 0.10 0.00 0.00 179.97 181.26 2cue h GLU 65 N 0.74 -0.93 -0.86 0.08 4.39 -0.93 -2.55 114.58 114.52 2cue h GLU 65 Ca 0.18 0.06 0.33 0.00 0.34 0.00 0.00 59.36 60.27 2cue h GLU 65 Cb 0.22 0.21 -0.12 0.00 -0.10 0.00 0.00 28.75 28.96 2cue h GLU 65 CO -0.01 -0.60 0.50 -1.91 -1.16 0.00 0.00 179.01 175.83 2cue n GLU 66 N -5.43 -0.04 0.06 2.33 0.00 0.54 0.65 120.64 118.75 2cue n GLU 66 Ca -0.13 1.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.94 2cue n GLU 66 Cb 0.39 -1.85 -0.06 0.00 0.00 0.00 0.00 31.44 29.91 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 -0.23 -0.88 5.31 1.63 -1.49 -3.28 116.57 117.64 2cue h LYS 67 Ca 0.64 0.02 0.19 0.00 -0.85 0.00 0.00 60.65 60.65 2cue h LYS 67 Cb 1.85 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 33.47 2cue h LYS 67 CO -0.49 0.14 0.58 -0.07 -3.45 0.00 0.00 179.45 176.16 2cue h LEU 68 N -0.95 0.42 -1.92 5.20 3.38 0.64 0.15 115.31 122.22 2cue h LEU 68 Ca -0.02 0.04 0.21 0.00 0.09 0.00 0.00 57.88 58.20 2cue h LEU 68 Cb 0.47 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2cue h LEU 68 CO 0.04 0.17 0.62 -0.09 0.09 0.00 0.00 178.44 179.28 2cue h ARG 69 N 0.42 0.00 -0.02 1.13 2.43 -0.64 0.35 114.38 118.05 2cue h ARG 69 Ca 0.46 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 59.37 2cue h ARG 69 Cb 1.11 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 30.68 2cue h ARG 69 CO -0.17 0.00 -0.98 -0.97 -1.51 0.00 0.00 179.97 176.34 2cue h ASN 70 N 0.00 0.90 0.71 -3.80 -1.24 -0.84 -3.01 115.58 108.29 2cue h ASN 70 Ca 0.35 -0.72 0.00 0.00 0.71 0.00 0.00 56.30 56.64 2cue h ASN 70 Cb 1.59 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 40.36 2cue h ASN 70 CO -0.00 1.50 -0.14 0.00 -1.29 0.00 0.00 177.43 177.50 2cue n GLN 71 N -3.89 0.18 -0.53 6.67 10.64 0.77 -3.32 117.38 127.89 2cue n GLN 71 Ca -0.10 -0.05 0.08 0.00 -1.83 0.00 0.00 57.00 55.10 2cue n GLN 71 Cb 0.85 -1.50 0.29 0.00 -0.86 0.00 0.00 30.24 29.02 2cue n GLN 71 CO 0.00 0.00 0.00 -2.13 -1.83 0.00 0.00 177.06 173.10 2cue n ARG 72 N -1.37 3.32 -1.22 2.61 3.00 0.88 -5.03 116.66 118.84 2cue n ARG 72 Ca 0.09 -2.91 -0.48 0.00 -0.00 0.00 0.00 57.85 54.55 2cue n ARG 72 Cb 0.32 -1.93 -0.07 0.00 0.00 0.00 0.00 32.46 30.78 2cue n ARG 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2cue n ARG 73 N -0.28 0.00 -1.56 -0.14 5.12 -1.14 -4.65 116.66 114.00 2cue n ARG 73 Ca 0.23 0.00 -0.48 0.00 -1.93 0.00 0.00 57.85 55.66 2cue n ARG 73 Cb 0.95 -1.08 -0.05 0.00 -1.16 0.00 0.00 32.46 31.12 2cue n ARG 73 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2cue n GLN 74 N 2.49 1.61 -1.28 5.56 -0.06 -1.26 -4.94 117.38 119.50 2cue n GLN 74 Ca 0.21 0.50 -0.29 0.00 -2.00 0.00 0.00 57.00 55.41 2cue n GLN 74 Cb -0.02 -2.69 0.20 0.00 -4.06 0.00 0.00 30.24 23.66 2cue n GLN 74 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 2cue s SER 75 N 6.53 2.09 1.03 1.69 1.04 -1.26 -4.99 113.70 119.83 2cue s SER 75 Ca 1.02 0.81 -0.16 0.00 0.48 0.00 0.00 55.95 58.10 2cue s SER 75 Cb -0.69 -1.21 0.04 0.00 0.10 0.00 0.00 66.02 64.26 2cue s SER 75 CO 0.47 -3.42 0.06 0.61 0.98 0.00 0.00 173.24 171.94 2cue n GLY 76 N -1.52 -2.45 3.73 7.32 0.00 -1.26 -4.89 105.19 106.13 2cue n GLY 76 Ca 0.10 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.97 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 -3.36 4.38 0.06 1.61 0.04 -1.26 -5.02 135.00 131.45 2cue s PRO 77 Ca 0.54 2.04 -0.15 0.00 0.04 0.00 0.00 61.00 63.47 2cue s PRO 77 Cb -0.15 -3.21 -0.06 0.00 0.04 0.00 0.00 34.50 31.12 2cue s PRO 77 CO 0.68 -0.27 0.48 0.45 0.04 0.00 0.00 177.00 178.38 2cue s SER 78 N 0.44 6.87 -0.64 6.66 0.15 -1.26 -5.00 113.70 120.92 2cue s SER 78 Ca 0.58 1.06 -0.26 0.00 0.70 0.00 0.00 55.95 58.02 2cue s SER 78 Cb -0.36 -2.28 -0.02 0.00 -1.71 0.00 0.00 66.02 61.64 2cue s SER 78 CO 0.37 0.25 1.87 -0.94 1.20 0.00 0.00 173.24 175.98 2cue s SER 79 N -1.30 5.26 0.00 5.45 1.04 -1.26 -5.30 113.70 117.59 2cue s SER 79 Ca 0.29 0.23 0.20 0.00 0.48 0.00 0.00 55.95 57.16 2cue s SER 79 Cb -0.17 -2.53 1.22 0.00 0.10 0.00 0.00 66.02 64.64 2cue s SER 79 CO 0.17 -2.41 1.60 0.61 0.98 0.00 0.00 173.24 174.19