#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 1.36 0.42 1.61 0.01 -1.26 -5.12 113.70 110.72 2cue s SER 2 Ca 0.00 -0.58 -0.23 0.00 1.31 0.00 0.00 55.95 56.45 2cue s SER 2 Cb 0.00 -0.02 -0.12 0.00 0.21 0.00 0.00 66.02 66.09 2cue s SER 2 CO 0.00 -0.12 0.68 -0.24 0.41 0.00 0.00 173.24 173.97 2cue n SER 3 N 1.39 -0.29 -3.31 2.44 2.88 -1.26 -4.97 113.62 110.51 2cue n SER 3 Ca -0.22 0.94 -0.26 0.00 -1.33 0.00 0.00 58.87 58.01 2cue n SER 3 Cb 0.54 -1.18 -0.09 0.00 -0.75 0.00 0.00 64.21 62.74 2cue n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cue n GLY 4 N 1.62 2.35 3.87 0.46 0.00 -1.26 -5.12 105.19 107.12 2cue n GLY 4 Ca 0.11 -1.37 -0.36 0.00 0.00 0.00 0.00 46.02 44.40 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 -0.39 6.52 0.50 1.61 0.01 -1.26 -5.10 113.70 115.58 2cue s SER 5 Ca 0.34 0.61 0.02 0.00 1.31 0.00 0.00 55.95 58.23 2cue s SER 5 Cb 0.09 -2.12 -0.02 0.00 0.21 0.00 0.00 66.02 64.18 2cue s SER 5 CO -0.17 0.33 0.01 -0.55 0.41 0.00 0.00 173.24 173.27 2cue s SER 6 N -1.29 4.06 0.00 2.44 0.15 -1.26 -5.03 113.70 112.77 2cue s SER 6 Ca 0.22 -1.62 0.00 0.00 0.70 0.00 0.00 55.95 55.24 2cue s SER 6 Cb -0.13 0.42 0.00 0.00 -1.71 0.00 0.00 66.02 64.59 2cue s SER 6 CO 0.11 -0.81 0.00 0.61 1.20 0.00 0.00 173.24 174.35 2cue n GLY 7 N -1.22 0.89 3.44 9.45 0.00 -1.26 -5.03 105.19 111.47 2cue n GLY 7 Ca -0.17 -0.46 -0.44 0.00 0.00 0.00 0.00 46.02 44.95 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 0.00 3.04 -0.03 1.61 -1.52 -1.26 -4.95 119.66 116.56 2cue s GLN 8 Ca 0.00 -1.01 -0.24 0.00 -1.95 0.00 0.00 55.36 52.16 2cue s GLN 8 Cb 0.00 -4.05 -0.18 0.00 -0.22 0.00 0.00 33.01 28.57 2cue s GLN 8 CO 0.00 -0.97 1.09 0.00 -0.25 0.00 0.00 175.29 175.16 2cue h ARG 9 N 8.78 -0.19 -3.74 2.91 3.08 -1.99 -3.44 114.38 119.79 2cue h ARG 9 Ca -0.27 0.01 -0.40 0.00 0.07 0.00 0.00 59.98 59.39 2cue h ARG 9 Cb 1.11 0.04 -0.36 0.00 0.08 0.00 0.00 29.97 30.84 2cue h ARG 9 CO 0.85 0.25 -0.76 -0.80 -1.07 0.00 0.00 179.97 178.43 2cue s ASN 10 N -5.46 1.09 -0.18 7.04 -0.87 -1.26 -5.13 114.94 110.17 2cue s ASN 10 Ca -0.14 -0.06 -0.12 0.00 -1.57 0.00 0.00 52.86 50.96 2cue s ASN 10 Cb 0.01 -0.36 -0.05 0.00 -0.02 0.00 0.00 41.25 40.84 2cue s ASN 10 CO 0.56 -0.14 0.22 -0.60 -2.57 0.00 0.00 177.10 174.57 2cue s ARG 11 N 1.50 4.23 -0.32 -0.60 6.06 -1.26 -5.06 118.95 123.49 2cue s ARG 11 Ca -0.02 -0.05 -0.23 0.00 -2.50 0.00 0.00 55.73 52.93 2cue s ARG 11 Cb -0.13 -3.43 0.00 0.00 0.06 0.00 0.00 34.95 31.45 2cue s ARG 11 CO -0.03 0.26 0.75 0.95 -2.50 0.00 0.00 175.30 174.73 2cue s THR 12 N 0.45 4.81 0.07 4.11 -4.23 -1.26 -4.87 115.64 114.71 2cue s THR 12 Ca 0.13 1.02 -0.00 0.00 -1.18 0.00 0.00 61.69 61.65 2cue s THR 12 Cb -0.12 -4.13 -0.00 0.00 1.34 0.00 0.00 72.50 69.59 2cue s THR 12 CO 0.01 -0.28 -0.00 -1.20 -0.54 0.00 0.00 174.62 172.61 2cue n SER 13 N 6.19 0.79 -4.97 3.99 7.64 -1.26 -5.08 113.62 120.92 2cue n SER 13 Ca 0.02 0.10 -0.21 0.00 1.01 0.00 0.00 58.87 59.79 2cue n SER 13 Cb 0.48 -0.24 0.01 0.00 -1.01 0.00 0.00 64.21 63.46 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 -2.00 3.09 0.16 1.43 0.40 -1.26 -5.12 117.98 114.68 2cue s PHE 14 Ca -0.00 0.06 0.08 0.00 -0.60 0.00 0.00 56.93 56.47 2cue s PHE 14 Cb 0.00 -2.38 -0.04 0.00 0.51 0.00 0.00 43.02 41.11 2cue s PHE 14 CO 0.00 -0.43 -0.06 0.95 0.70 0.00 0.00 175.22 176.38 2cue s THR 15 N -2.53 3.46 0.54 0.64 -4.23 -1.26 -4.98 115.64 107.29 2cue s THR 15 Ca 0.50 -1.46 0.29 0.00 -1.18 0.00 0.00 61.69 59.84 2cue s THR 15 Cb -0.10 -2.70 0.44 0.00 1.34 0.00 0.00 72.50 71.48 2cue s THR 15 CO 0.37 -0.06 1.92 -0.61 -0.54 0.00 0.00 174.62 175.70 2cue h GLN 16 N 2.99 0.00 0.00 3.99 -0.00 -1.99 0.52 115.11 120.62 2cue h GLN 16 Ca -0.47 0.00 -0.09 0.00 -0.00 0.00 0.00 58.65 58.08 2cue h GLN 16 Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.66 2cue h GLN 16 CO 0.55 0.00 -0.44 0.93 0.00 0.00 0.00 178.83 179.87 2cue h GLU 17 N 0.00 0.00 0.09 1.69 5.08 -2.01 -2.48 114.58 116.95 2cue h GLU 17 Ca 0.34 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.35 2cue h GLU 17 Cb 1.41 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.63 2cue h GLU 17 CO -0.00 0.44 -1.97 1.04 -1.00 0.00 0.00 179.01 177.52 2cue n GLN 18 N -3.95 0.73 0.25 2.33 6.02 0.15 -4.05 117.38 118.87 2cue n GLN 18 Ca -0.02 0.26 0.09 0.00 -0.01 0.00 0.00 57.00 57.33 2cue n GLN 18 Cb 0.47 -1.72 0.66 0.00 1.02 0.00 0.00 30.24 30.68 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 0.88 -0.41 5.09 2.04 -0.73 -0.08 117.51 124.36 2cue h ILE 19 Ca -0.40 -0.32 -0.13 0.00 1.00 0.00 0.00 64.86 65.00 2cue h ILE 19 Cb 2.03 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 39.28 2cue h ILE 19 CO 0.08 0.09 -0.27 1.05 0.00 0.00 0.00 178.15 179.10 2cue h GLU 20 N 0.00 0.91 0.03 2.37 4.11 -1.59 -1.30 114.58 119.11 2cue h GLU 20 Ca -0.00 -0.43 -0.22 0.00 0.07 0.00 0.00 59.36 58.78 2cue h GLU 20 Cb 0.17 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2cue h GLU 20 CO 0.01 1.08 -1.01 0.00 0.07 0.00 0.00 179.01 179.17 2cue h ALA 21 N 0.81 0.36 0.00 1.06 0.00 -1.55 -2.84 119.26 117.10 2cue h ALA 21 Ca 0.08 -0.84 -0.07 0.00 0.00 0.00 0.00 54.91 54.09 2cue h ALA 21 Cb 0.85 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2cue h ALA 21 CO 0.07 1.06 -0.33 -0.07 0.00 0.00 0.00 179.25 179.99 2cue h LEU 22 N 0.05 0.00 0.15 0.00 3.38 -0.98 -2.92 115.31 114.98 2cue h LEU 22 Ca -0.05 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.71 2cue h LEU 22 Cb 1.71 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.48 2cue h LEU 22 CO 0.15 0.33 -0.92 -0.33 0.09 0.00 0.00 178.44 177.75 2cue h GLU 23 N 0.00 0.31 0.00 1.13 5.08 -1.24 -2.91 114.58 116.95 2cue h GLU 23 Ca -0.00 -0.53 -0.01 0.00 -1.00 0.00 0.00 59.36 57.81 2cue h GLU 23 Cb 0.92 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.37 2cue h GLU 23 CO 0.04 1.26 -0.06 -0.22 -1.00 0.00 0.00 179.01 179.03 2cue h LYS 24 N -0.33 0.00 0.00 2.33 3.64 -1.51 0.26 116.57 120.96 2cue h LYS 24 Ca -0.17 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.10 2cue h LYS 24 Cb 1.69 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.50 2cue h LYS 24 CO 0.15 0.06 -0.74 1.49 -2.27 0.00 0.00 179.45 178.13 2cue h GLU 25 N 0.00 0.00 0.17 1.90 4.57 -1.59 -3.28 114.58 116.36 2cue h GLU 25 Ca -0.00 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.83 2cue h GLU 25 Cb 0.11 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.71 2cue h GLU 25 CO 0.01 0.42 -1.73 0.35 -1.18 0.00 0.00 179.01 176.87 2cue h PHE 26 N 0.00 0.67 0.00 0.92 3.04 -1.01 -2.51 116.94 118.05 2cue h PHE 26 Ca -0.04 -0.49 -0.00 0.00 3.98 0.00 0.00 57.97 61.42 2cue h PHE 26 Cb 1.41 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 39.90 2cue h PHE 26 CO 0.00 1.64 -0.00 1.05 -2.02 0.00 0.00 178.31 178.97 2cue h GLU 27 N 0.10 0.00 0.01 1.11 -0.00 -0.66 -2.98 114.58 112.16 2cue h GLU 27 Ca -0.33 0.00 -0.28 0.00 -0.00 0.00 0.00 59.36 58.75 2cue h GLU 27 Cb 2.09 0.00 -0.04 0.00 -0.00 0.00 0.00 28.75 30.80 2cue h GLU 27 CO 0.17 0.00 -1.52 -2.13 -0.00 0.00 0.00 179.01 175.53 2cue n ARG 28 N -3.99 0.58 -3.71 1.06 0.00 -1.23 -4.94 116.66 104.43 2cue n ARG 28 Ca -0.03 0.51 -0.18 0.00 -0.00 0.00 0.00 57.85 58.14 2cue n ARG 28 Cb 0.09 -1.70 -0.17 0.00 0.00 0.00 0.00 32.46 30.67 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 -2.40 -0.08 -0.75 5.15 -1.32 -0.95 -5.00 115.64 110.29 2cue s THR 29 Ca -0.30 0.36 0.23 0.00 -1.21 0.00 0.00 61.69 60.77 2cue s THR 29 Cb 0.07 -0.14 0.23 0.00 -1.51 0.00 0.00 72.50 71.15 2cue s THR 29 CO 0.59 0.15 1.71 1.41 -2.21 0.00 0.00 174.62 176.27 2cue n HIS 30 N 4.94 0.52 -3.75 9.09 8.25 -1.24 -4.00 115.22 129.04 2cue n HIS 30 Ca -0.11 0.18 -0.28 0.00 -0.26 0.00 0.00 57.72 57.25 2cue n HIS 30 Cb 0.50 -0.79 -0.12 0.00 1.12 0.00 0.00 29.99 30.70 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 -3.14 2.79 -0.75 4.41 2.02 -1.26 -4.98 117.35 116.44 2cue s TYR 31 Ca 0.08 -3.01 -0.26 0.00 -0.37 0.00 0.00 57.07 53.51 2cue s TYR 31 Cb 0.12 -2.16 -0.03 0.00 -0.40 0.00 0.00 41.96 39.48 2cue s TYR 31 CO 0.44 -0.64 1.91 -1.25 -1.57 0.00 0.00 175.55 174.44 2cue s PRO 32 N -0.94 2.59 0.97 -1.71 0.04 -1.26 -4.97 135.00 129.72 2cue s PRO 32 Ca 0.27 0.18 -0.16 0.00 0.04 0.00 0.00 61.00 61.32 2cue s PRO 32 Cb -0.03 -4.72 0.05 0.00 0.04 0.00 0.00 34.50 29.84 2cue s PRO 32 CO -0.17 -3.05 -0.23 -0.25 0.04 0.00 0.00 177.00 173.34 2cue n ASP 33 N 13.38 -2.70 -0.11 6.66 9.92 -1.26 -3.81 116.55 138.63 2cue n ASP 33 Ca 0.30 -0.18 0.18 0.00 -0.53 0.00 0.00 54.79 54.56 2cue n ASP 33 Cb 0.50 -0.72 0.58 0.00 -0.64 0.00 0.00 41.12 40.84 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 -2.06 0.76 0.00 2.53 3.04 -1.99 0.49 116.25 119.02 2cue h VAL 34 Ca -0.32 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 2cue h VAL 34 Cb 0.97 0.49 0.00 0.00 -2.01 0.00 0.00 31.29 30.73 2cue h VAL 34 CO 0.21 0.05 0.00 -0.26 -1.01 0.00 0.00 177.57 176.55 2cue h PHE 35 N 0.25 0.00 0.01 3.17 0.04 -1.99 -0.90 116.94 117.51 2cue h PHE 35 Ca 0.33 0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.76 2cue h PHE 35 Cb 0.96 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 39.06 2cue h PHE 35 CO -0.00 0.00 -1.88 0.00 -0.60 0.00 0.00 178.31 175.83 2cue n ALA 36 N -1.97 0.99 -0.20 2.45 0.00 0.16 -3.59 120.51 118.35 2cue n ALA 36 Ca 0.01 -0.77 -0.05 0.00 0.00 0.00 0.00 53.44 52.62 2cue n ALA 36 Cb 0.27 -0.26 0.11 0.00 0.00 0.00 0.00 19.45 19.57 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 -0.91 1.01 0.28 0.00 3.08 -1.20 0.58 114.38 117.22 2cue h ARG 37 Ca -0.51 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 59.29 2cue h ARG 37 Cb 1.49 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 31.41 2cue h ARG 37 CO -0.28 0.90 -0.13 0.93 -1.07 0.00 0.00 179.97 180.31 2cue h GLU 38 N 0.96 -0.36 -0.58 0.04 5.08 -1.37 0.24 114.58 118.59 2cue h GLU 38 Ca 0.20 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.58 2cue h GLU 38 Cb 0.35 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 2cue h GLU 38 CO 0.00 -0.07 0.32 0.00 -1.00 0.00 0.00 179.01 178.27 2cue h ARG 39 N -0.64 0.81 -0.49 2.33 2.47 -1.60 -2.68 114.38 114.57 2cue h ARG 39 Ca -0.04 -0.09 -0.10 0.00 -1.26 0.00 0.00 59.98 58.49 2cue h ARG 39 Cb 0.46 -0.16 -0.02 0.00 -1.65 0.00 0.00 29.97 28.60 2cue h ARG 39 CO 0.06 0.62 -0.08 1.25 0.56 0.00 0.00 179.97 182.38 2cue h LEU 40 N 0.79 0.88 -1.32 3.04 5.85 -0.87 -2.69 115.31 120.98 2cue h LEU 40 Ca 0.21 -0.26 0.29 0.00 0.84 0.00 0.00 57.88 58.95 2cue h LEU 40 Cb 0.04 -0.24 -0.10 0.00 0.37 0.00 0.00 40.66 40.73 2cue h LEU 40 CO -0.03 0.98 0.68 0.00 -0.34 0.00 0.00 178.44 179.73 2cue h ALA 41 N 1.10 2.24 0.00 1.25 0.00 -0.16 0.82 119.26 124.52 2cue h ALA 41 Ca 0.14 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.13 2cue h ALA 41 Cb 0.59 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2cue h ALA 41 CO 0.04 -0.69 -0.78 0.00 0.00 0.00 0.00 179.25 177.82 2cue h ALA 42 N 1.64 0.54 0.01 0.00 0.00 -1.50 0.49 119.26 120.43 2cue h ALA 42 Ca 0.63 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 55.33 2cue h ALA 42 Cb 1.62 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 2cue h ALA 42 CO -0.34 0.00 -0.92 -0.22 0.00 0.00 0.00 179.25 177.77 2cue h LYS 43 N 0.00 0.26 -0.04 0.00 1.63 0.91 -3.31 116.57 116.02 2cue h LYS 43 Ca 0.00 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 2cue h LYS 43 Cb 0.84 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.55 2cue h LYS 43 CO 0.00 1.01 0.00 0.44 -3.45 0.00 0.00 179.45 177.45 2cue n ILE 44 N -3.67 0.68 -3.54 2.00 -5.35 -0.21 -5.01 119.36 104.27 2cue n ILE 44 Ca -0.05 -0.84 -0.19 0.00 -0.27 0.00 0.00 62.75 61.40 2cue n ILE 44 Cb 0.83 0.67 0.06 0.00 -1.74 0.00 0.00 39.64 39.46 2cue n ILE 44 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2cue n ASP 45 N -0.20 -2.09 -4.17 7.28 8.00 -0.40 -4.87 116.55 120.10 2cue n ASP 45 Ca 0.02 -0.72 -0.19 0.00 0.71 0.00 0.00 54.79 54.61 2cue n ASP 45 Cb 0.20 -4.64 -0.12 0.00 -0.02 0.00 0.00 41.12 36.55 2cue n ASP 45 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2cue s LEU 46 N -6.42 2.26 0.25 0.64 1.43 0.16 -5.00 118.68 111.99 2cue s LEU 46 Ca 0.05 -0.59 -0.30 0.00 -1.03 0.00 0.00 54.13 52.26 2cue s LEU 46 Cb -0.01 -0.53 -0.09 0.00 0.03 0.00 0.00 46.19 45.59 2cue s LEU 46 CO 0.77 -0.06 1.27 -2.16 0.23 0.00 0.00 176.35 176.40 2cue s PRO 47 N -1.63 4.43 0.66 1.29 0.04 -1.26 -4.27 135.00 134.26 2cue s PRO 47 Ca -0.01 2.05 0.19 0.00 0.04 0.00 0.00 61.00 63.26 2cue s PRO 47 Cb -0.10 -3.16 1.02 0.00 0.04 0.00 0.00 34.50 32.31 2cue s PRO 47 CO 0.02 -0.15 1.58 1.49 0.04 0.00 0.00 177.00 179.98 2cue h GLU 48 N 4.54 0.00 0.15 4.56 4.81 -1.93 0.65 114.58 127.36 2cue h GLU 48 Ca -0.46 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.47 2cue h GLU 48 Cb 1.22 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.62 2cue h GLU 48 CO 0.72 0.00 -1.29 0.00 -0.73 0.00 0.00 179.01 177.71 2cue h ALA 49 N 0.84 -0.00 0.29 2.92 0.00 -1.96 -3.28 119.26 118.07 2cue h ALA 49 Ca 0.00 -0.82 -0.01 0.00 0.00 0.00 0.00 54.91 54.08 2cue h ALA 49 Cb 1.16 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2cue h ALA 49 CO 0.00 0.76 -0.14 0.00 0.00 0.00 0.00 179.25 179.87 2cue h ARG 50 N 0.20 -0.38 -0.73 0.00 2.47 -0.04 -3.05 114.38 112.85 2cue h ARG 50 Ca -0.19 0.03 0.15 0.00 -1.26 0.00 0.00 59.98 58.71 2cue h ARG 50 Cb 1.98 0.09 -0.14 0.00 -1.65 0.00 0.00 29.97 30.25 2cue h ARG 50 CO 0.24 -0.16 -0.13 0.82 0.56 0.00 0.00 179.97 181.29 2cue h ILE 51 N -0.52 0.29 -0.48 2.04 2.04 -1.65 -0.13 117.51 119.11 2cue h ILE 51 Ca -0.04 -0.01 0.09 0.00 1.00 0.00 0.00 64.86 65.91 2cue h ILE 51 Cb 0.39 0.27 -0.10 0.00 -0.74 0.00 0.00 36.82 36.63 2cue h ILE 51 CO 0.07 0.00 -0.27 1.56 0.00 0.00 0.00 178.15 179.51 2cue h GLN 52 N 0.02 -0.16 0.73 2.37 4.20 -1.59 0.02 115.11 120.71 2cue h GLN 52 Ca 0.36 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.05 2cue h GLN 52 Cb 0.58 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.39 2cue h GLN 52 CO -0.72 -0.11 -0.45 0.28 -0.67 0.00 0.00 178.83 177.16 2cue h VAL 53 N -0.16 0.09 -1.21 -0.54 2.07 -1.01 0.26 116.25 115.75 2cue h VAL 53 Ca 0.21 0.00 0.34 0.00 0.82 0.00 0.00 66.70 68.08 2cue h VAL 53 Cb 0.51 0.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.30 2cue h VAL 53 CO -0.57 0.00 0.83 -0.25 0.02 0.00 0.00 177.57 177.60 2cue h TRP 54 N -1.11 0.25 0.24 1.57 7.01 -0.83 0.31 115.95 123.39 2cue h TRP 54 Ca -0.10 0.01 -0.34 0.00 2.11 0.00 0.00 58.89 60.57 2cue h TRP 54 Cb 0.89 -0.07 0.03 0.00 -2.10 0.00 0.00 29.16 27.92 2cue h TRP 54 CO -0.10 -0.00 -1.54 0.74 -2.79 0.00 0.00 178.44 174.74 2cue h PHE 55 N 0.12 0.94 0.06 2.65 -1.00 -0.35 -3.15 116.94 116.22 2cue h PHE 55 Ca 0.62 -0.69 0.03 0.00 2.81 0.00 0.00 57.97 60.74 2cue h PHE 55 Cb 2.17 -0.04 -0.04 0.00 3.61 0.00 0.00 35.95 41.65 2cue h PHE 55 CO -0.00 1.59 -0.28 1.03 -1.61 0.00 0.00 178.31 179.04 2cue h SER 56 N 0.14 -0.81 -0.64 2.17 0.87 0.31 -1.11 113.55 114.47 2cue h SER 56 Ca -0.28 0.10 0.02 0.00 -1.23 0.00 0.00 61.79 60.40 2cue h SER 56 Cb 2.16 0.32 -0.03 0.00 -0.44 0.00 0.00 62.40 64.41 2cue h SER 56 CO 0.26 -0.36 0.43 0.78 -0.53 0.00 0.00 176.83 177.41 2cue h ASN 57 N -0.46 0.71 0.37 6.23 2.35 -1.50 -2.77 115.58 120.51 2cue h ASN 57 Ca 0.05 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.77 2cue h ASN 57 Cb 0.52 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2cue h ASN 57 CO -0.20 0.50 -0.20 0.03 -1.65 0.00 0.00 177.43 175.91 2cue h ARG 58 N 0.83 -0.51 -0.95 0.81 2.47 -1.27 -1.34 114.38 114.42 2cue h ARG 58 Ca 0.24 0.03 0.27 0.00 -1.26 0.00 0.00 59.98 59.26 2cue h ARG 58 Cb -0.03 0.12 -0.14 0.00 -1.65 0.00 0.00 29.97 28.27 2cue h ARG 58 CO -0.06 -0.34 0.45 0.00 0.56 0.00 0.00 179.97 180.58 2cue h ARG 59 N -0.53 0.34 -0.30 0.04 3.08 -0.95 0.65 114.38 116.72 2cue h ARG 59 Ca -0.05 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.87 2cue h ARG 59 Cb 0.42 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 2cue h ARG 59 CO 0.07 0.22 -0.26 0.00 -1.07 0.00 0.00 179.97 178.93 2cue h ALA 60 N 1.78 0.43 0.00 0.04 0.00 -1.40 0.22 119.26 120.34 2cue h ALA 60 Ca 0.64 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2cue h ALA 60 Cb 1.33 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.02 2cue h ALA 60 CO -0.58 0.42 0.00 -0.22 0.00 0.00 0.00 179.25 178.87 2cue h LYS 61 N 0.45 0.00 0.02 0.00 3.64 0.58 -2.09 116.57 119.17 2cue h LYS 61 Ca 0.05 0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.16 2cue h LYS 61 Cb 0.82 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.60 2cue h LYS 61 CO 0.07 0.00 -1.51 1.87 -2.27 0.00 0.00 179.45 177.61 2cue n TRP 62 N -2.93 0.96 0.24 1.91 -0.00 0.19 -3.02 117.44 114.78 2cue n TRP 62 Ca 0.01 0.37 0.07 0.00 -0.00 0.00 0.00 57.50 57.95 2cue n TRP 62 Cb 0.32 -1.10 0.56 0.00 -0.00 0.00 0.00 31.31 31.09 2cue n TRP 62 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 2cue h ARG 63 N -0.82 0.00 0.21 5.87 3.08 -0.59 0.24 114.38 122.37 2cue h ARG 63 Ca -0.40 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.34 2cue h ARG 63 Cb 1.45 0.00 0.03 0.00 0.08 0.00 0.00 29.97 31.53 2cue h ARG 63 CO -0.18 0.13 -1.41 0.07 -1.07 0.00 0.00 179.97 177.50 2cue h ARG 64 N 0.00 0.45 0.10 0.04 0.11 -1.54 -3.28 114.38 110.25 2cue h ARG 64 Ca -0.00 -0.78 -0.00 0.00 0.10 0.00 0.00 59.98 59.30 2cue h ARG 64 Cb 0.23 0.29 0.00 0.00 1.11 0.00 0.00 29.97 31.60 2cue h ARG 64 CO 0.02 1.37 -0.05 0.93 0.10 0.00 0.00 179.97 182.34 2cue h GLU 65 N 0.12 -0.13 -0.95 0.08 5.08 -1.36 -3.20 114.58 114.22 2cue h GLU 65 Ca -0.22 0.01 0.29 0.00 -1.00 0.00 0.00 59.36 58.44 2cue h GLU 65 Cb 2.11 0.03 -0.17 0.00 0.50 0.00 0.00 28.75 31.22 2cue h GLU 65 CO 0.25 0.39 0.24 1.49 -1.00 0.00 0.00 179.01 180.38 2cue h GLU 66 N -0.80 0.09 -0.14 2.33 4.22 -0.70 0.39 114.58 119.96 2cue h GLU 66 Ca -0.01 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.43 2cue h GLU 66 Cb 0.58 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2cue h GLU 66 CO 0.02 0.06 0.08 -0.22 -2.18 0.00 0.00 179.01 176.78 2cue h LYS 67 N 0.09 0.17 -0.93 1.92 1.63 -1.62 -2.77 116.57 115.06 2cue h LYS 67 Ca 0.65 -0.01 0.22 0.00 -0.85 0.00 0.00 60.65 60.66 2cue h LYS 67 Cb 1.44 -0.04 -0.17 0.00 -0.60 0.00 0.00 32.23 32.86 2cue h LYS 67 CO -0.78 0.11 -0.08 -0.07 -3.45 0.00 0.00 179.45 175.18 2cue h LEU 68 N 0.18 -0.61 -0.53 5.20 3.38 -0.21 0.33 115.31 123.04 2cue h LEU 68 Ca 0.05 0.27 0.11 0.00 0.09 0.00 0.00 57.88 58.40 2cue h LEU 68 Cb -0.01 0.50 -0.10 0.00 0.09 0.00 0.00 40.66 41.14 2cue h LEU 68 CO -0.02 -0.31 -0.16 -0.09 0.09 0.00 0.00 178.44 177.95 2cue h ARG 69 N 0.02 -0.03 -0.65 1.13 2.43 -1.37 0.24 114.38 116.16 2cue h ARG 69 Ca 0.51 0.00 0.12 0.00 -0.81 0.00 0.00 59.98 59.80 2cue h ARG 69 Cb 0.94 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 30.45 2cue h ARG 69 CO -0.90 -0.02 0.44 -0.97 -1.51 0.00 0.00 179.97 177.01 2cue h ASN 70 N -0.03 0.36 0.33 -3.80 -1.24 -0.41 0.36 115.58 111.16 2cue h ASN 70 Ca 0.25 0.01 0.00 0.00 0.71 0.00 0.00 56.30 57.28 2cue h ASN 70 Cb 0.41 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.40 2cue h ASN 70 CO -0.56 0.21 0.00 0.00 -1.29 0.00 0.00 177.43 175.79 2cue n GLN 71 N -4.47 0.08 -0.31 6.67 1.13 0.84 -1.46 117.38 119.86 2cue n GLN 71 Ca 0.11 0.24 0.08 0.00 -1.94 0.00 0.00 57.00 55.49 2cue n GLN 71 Cb 0.43 -1.50 0.24 0.00 0.11 0.00 0.00 30.24 29.52 2cue n GLN 71 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2cue n ARG 72 N -1.40 2.96 -1.53 -1.09 5.12 0.13 -4.84 116.66 116.01 2cue n ARG 72 Ca 0.04 -2.40 -0.35 0.00 -1.93 0.00 0.00 57.85 53.21 2cue n ARG 72 Cb 0.12 -1.49 -0.10 0.00 -1.16 0.00 0.00 32.46 29.84 2cue n ARG 72 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2cue n ARG 73 N 0.82 0.51 -3.96 5.56 3.00 -0.54 -1.45 116.66 120.60 2cue n ARG 73 Ca 0.18 -0.08 -0.28 0.00 -0.00 0.00 0.00 57.85 57.66 2cue n ARG 73 Cb 0.58 -2.53 -0.00 0.00 0.00 0.00 0.00 32.46 30.51 2cue n ARG 73 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.63 178.67 2cue n GLN 74 N 8.51 -4.16 -2.53 -0.14 6.02 -1.26 -4.86 117.38 118.96 2cue n GLN 74 Ca 0.52 0.49 -0.41 0.00 -0.01 0.00 0.00 57.00 57.59 2cue n GLN 74 Cb 0.31 -5.04 -0.03 0.00 1.02 0.00 0.00 30.24 26.50 2cue n GLN 74 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2cue s SER 75 N -3.83 6.19 0.00 1.08 0.15 -0.52 -4.81 113.70 111.95 2cue s SER 75 Ca 0.35 -0.62 0.00 0.00 0.70 0.00 0.00 55.95 56.38 2cue s SER 75 Cb -0.18 -2.56 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 2cue s SER 75 CO 0.87 -1.80 0.00 0.61 1.20 0.00 0.00 173.24 174.12 2cue n GLY 76 N 5.69 0.28 0.19 9.45 0.00 -1.26 -4.72 105.19 114.82 2cue n GLY 76 Ca 0.10 -2.24 -0.04 0.00 0.00 0.00 0.00 46.02 43.84 2cue n GLY 76 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cue h PRO 77 N 0.00 0.29 -4.48 1.61 0.13 -1.99 -3.39 132.00 124.17 2cue h PRO 77 Ca 0.00 -0.15 -0.50 0.00 -0.87 0.00 0.00 66.00 64.48 2cue h PRO 77 Cb 0.00 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 31.07 2cue h PRO 77 CO 0.00 0.70 1.35 -1.13 -0.23 0.00 0.00 178.00 178.69 2cue n SER 78 N -3.99 0.38 -4.18 1.44 3.41 -1.26 0.90 113.62 110.31 2cue n SER 78 Ca -0.02 0.29 -0.30 0.00 -0.26 0.00 0.00 58.87 58.59 2cue n SER 78 Cb 0.52 -0.77 -0.06 0.00 -0.26 0.00 0.00 64.21 63.64 2cue n SER 78 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2cue n SER 79 N 7.96 -0.17 -0.57 4.04 2.88 -1.26 -4.79 113.62 121.71 2cue n SER 79 Ca 0.52 -1.14 0.14 0.00 -1.33 0.00 0.00 58.87 57.06 2cue n SER 79 Cb 0.01 -2.29 0.45 0.00 -0.75 0.00 0.00 64.21 61.62 2cue n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42