#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 4.99 0.70 1.61 1.04 -1.26 -5.08 113.70 115.69 2cue s SER 2 Ca 0.00 -0.14 -0.17 0.00 0.48 0.00 0.00 55.95 56.12 2cue s SER 2 Cb 0.00 -1.20 -0.11 0.00 0.10 0.00 0.00 66.02 64.81 2cue s SER 2 CO 0.00 0.21 -0.01 -0.24 0.98 0.00 0.00 173.24 174.18 2cue n SER 3 N 0.85 -3.19 -2.11 7.02 2.88 -1.26 -4.45 113.62 113.36 2cue n SER 3 Ca -0.12 0.53 -0.02 0.00 -1.33 0.00 0.00 58.87 57.93 2cue n SER 3 Cb 0.52 -0.98 -0.02 0.00 -0.75 0.00 0.00 64.21 62.99 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 2.37 -3.98 3.31 0.46 0.00 -1.26 -4.96 105.19 101.14 2cue n GLY 4 Ca 0.07 0.53 -0.46 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.57 6.32 0.25 1.61 0.01 -1.26 -5.06 113.70 115.00 2cue s SER 5 Ca -0.09 -2.09 -0.07 0.00 1.31 0.00 0.00 55.95 55.01 2cue s SER 5 Cb 0.01 -2.19 -0.06 0.00 0.21 0.00 0.00 66.02 63.98 2cue s SER 5 CO 0.42 -0.76 0.53 -0.94 0.41 0.00 0.00 173.24 172.91 2cue s SER 6 N 3.07 6.53 0.00 2.44 1.04 -1.26 -4.97 113.70 120.55 2cue s SER 6 Ca 0.08 0.79 0.00 0.00 0.48 0.00 0.00 55.95 57.30 2cue s SER 6 Cb -0.24 -2.17 0.00 0.00 0.10 0.00 0.00 66.02 63.71 2cue s SER 6 CO -0.01 -0.11 0.00 0.61 0.98 0.00 0.00 173.24 174.71 2cue n GLY 7 N -0.46 1.84 3.15 7.32 0.00 -1.26 -5.12 105.19 110.66 2cue n GLY 7 Ca -0.01 -1.53 0.05 0.00 0.00 0.00 0.00 46.02 44.54 2cue n GLY 7 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2cue s GLN 8 N -5.03 0.19 0.97 1.61 0.74 -1.26 -5.09 119.66 111.79 2cue s GLN 8 Ca 0.00 0.26 -0.13 0.00 0.05 0.00 0.00 55.36 55.55 2cue s GLN 8 Cb 0.00 0.14 0.07 0.00 1.10 0.00 0.00 33.01 34.32 2cue s GLN 8 CO 0.00 -0.28 0.52 0.54 -0.55 0.00 0.00 175.29 175.52 2cue n ARG 9 N 5.32 -0.54 -0.06 1.67 5.12 -1.26 -4.99 116.66 121.92 2cue n ARG 9 Ca 0.01 -0.11 -0.10 0.00 -1.93 0.00 0.00 57.85 55.71 2cue n ARG 9 Cb 0.55 -1.94 -0.03 0.00 -1.16 0.00 0.00 32.46 29.88 2cue n ARG 9 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2cue n ASN 10 N -2.01 1.56 -4.75 0.55 3.02 -1.26 -5.01 115.26 107.36 2cue n ASN 10 Ca 0.07 0.26 -0.36 0.00 -0.03 0.00 0.00 54.58 54.52 2cue n ASN 10 Cb 0.54 -0.59 0.03 0.00 -0.61 0.00 0.00 39.78 39.15 2cue n ASN 10 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2cue s ARG 11 N -2.53 2.97 -0.70 3.52 6.06 -1.26 -4.94 118.95 122.07 2cue s ARG 11 Ca -0.22 1.80 -0.25 0.00 -2.50 0.00 0.00 55.73 54.56 2cue s ARG 11 Cb 0.05 -1.93 0.05 0.00 0.06 0.00 0.00 34.95 33.18 2cue s ARG 11 CO 0.30 -1.20 1.12 0.99 -2.50 0.00 0.00 175.30 174.02 2cue s THR 12 N -1.64 4.02 -0.05 4.11 2.01 -1.26 -4.89 115.64 117.94 2cue s THR 12 Ca 0.77 0.04 -0.13 0.00 0.31 0.00 0.00 61.69 62.68 2cue s THR 12 Cb -0.30 -4.80 -0.08 0.00 0.01 0.00 0.00 72.50 67.34 2cue s THR 12 CO 0.33 -1.65 0.52 0.28 -0.69 0.00 0.00 174.62 173.41 2cue h SER 13 N 9.79 -0.33 -3.59 3.53 0.02 -2.00 -3.46 113.55 117.51 2cue h SER 13 Ca -0.28 -0.04 -0.43 0.00 -0.84 0.00 0.00 61.79 60.20 2cue h SER 13 Cb 1.06 0.09 0.18 0.00 0.14 0.00 0.00 62.40 63.87 2cue h SER 13 CO 1.23 0.14 0.12 -0.36 -1.14 0.00 0.00 176.83 176.82 2cue s PHE 14 N -2.95 1.23 0.20 3.45 0.08 -1.26 -5.07 117.98 113.66 2cue s PHE 14 Ca -0.07 0.79 0.11 0.00 0.12 0.00 0.00 56.93 57.89 2cue s PHE 14 Cb 0.01 -3.29 -0.04 0.00 -0.57 0.00 0.00 43.02 39.13 2cue s PHE 14 CO 0.22 -3.55 -0.23 0.95 -0.10 0.00 0.00 175.22 172.50 2cue s THR 15 N -2.87 2.38 0.52 0.64 -4.23 -1.26 -4.99 115.64 105.84 2cue s THR 15 Ca 0.68 -2.05 0.29 0.00 -1.18 0.00 0.00 61.69 59.43 2cue s THR 15 Cb -0.16 -2.15 0.45 0.00 1.34 0.00 0.00 72.50 71.98 2cue s THR 15 CO 0.58 -0.13 1.91 -0.61 -0.54 0.00 0.00 174.62 175.83 2cue h GLN 16 N 3.13 0.04 -0.03 3.99 -0.00 -1.98 0.49 115.11 120.76 2cue h GLN 16 Ca -0.46 -0.00 -0.07 0.00 -0.00 0.00 0.00 58.65 58.12 2cue h GLN 16 Cb 1.21 -0.01 -0.01 0.00 0.00 0.00 0.00 27.48 28.67 2cue h GLN 16 CO 0.49 0.03 -0.33 0.93 0.00 0.00 0.00 178.83 179.95 2cue h GLU 17 N 0.04 0.05 0.08 1.69 4.39 -2.01 -2.22 114.58 116.60 2cue h GLU 17 Ca 0.39 -0.02 -0.34 0.00 0.34 0.00 0.00 59.36 59.73 2cue h GLU 17 Cb 1.48 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.10 2cue h GLU 17 CO -0.02 0.37 -1.86 1.04 -1.16 0.00 0.00 179.01 177.37 2cue n GLN 18 N -4.14 0.69 -0.28 2.33 6.02 0.14 -4.12 117.38 118.03 2cue n GLN 18 Ca -0.02 0.34 0.09 0.00 -0.01 0.00 0.00 57.00 57.39 2cue n GLN 18 Cb 0.38 -1.70 0.32 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 -0.26 0.93 -0.69 5.09 2.04 -0.71 0.18 117.51 124.09 2cue h ILE 19 Ca -0.43 -0.28 0.02 0.00 1.00 0.00 0.00 64.86 65.17 2cue h ILE 19 Cb 1.82 0.03 -0.04 0.00 -0.74 0.00 0.00 36.82 37.88 2cue h ILE 19 CO -0.02 0.15 0.44 1.05 0.00 0.00 0.00 178.15 179.76 2cue h GLU 20 N 0.83 0.84 0.01 2.37 4.11 -1.57 0.17 114.58 121.34 2cue h GLU 20 Ca 0.42 -0.05 -0.20 0.00 0.07 0.00 0.00 59.36 59.61 2cue h GLU 20 Cb 0.50 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2cue h GLU 20 CO -0.19 0.56 -0.92 0.00 0.07 0.00 0.00 179.01 178.52 2cue h ALA 21 N 1.28 0.48 0.00 1.06 0.00 -1.40 -2.63 119.26 118.05 2cue h ALA 21 Ca 0.27 -0.81 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 2cue h ALA 21 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2cue h ALA 21 CO -0.09 1.09 -0.19 -0.07 0.00 0.00 0.00 179.25 179.99 2cue h LEU 22 N 0.02 0.00 0.17 0.00 3.38 -0.17 -3.02 115.31 115.69 2cue h LEU 22 Ca -0.02 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.60 2cue h LEU 22 Cb 1.61 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.37 2cue h LEU 22 CO 0.13 0.19 -1.74 -0.33 0.09 0.00 0.00 178.44 176.77 2cue h GLU 23 N 0.00 0.37 -0.35 1.13 5.08 -0.66 -3.19 114.58 116.96 2cue h GLU 23 Ca -0.00 -0.63 0.00 0.00 -1.00 0.00 0.00 59.36 57.73 2cue h GLU 23 Cb 0.85 0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.31 2cue h GLU 23 CO 0.02 1.30 0.23 -0.22 -1.00 0.00 0.00 179.01 179.34 2cue h LYS 24 N 0.05 0.46 0.00 2.33 3.64 -1.47 0.44 116.57 122.01 2cue h LYS 24 Ca -0.35 -0.03 -0.11 0.00 -1.27 0.00 0.00 60.65 58.89 2cue h LYS 24 Cb 2.05 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.76 2cue h LYS 24 CO 0.15 0.31 -0.51 1.49 -2.27 0.00 0.00 179.45 178.62 2cue h GLU 25 N 0.47 0.00 0.17 1.90 4.57 -1.65 -3.29 114.58 116.75 2cue h GLU 25 Ca 0.13 0.00 -0.25 0.00 -1.18 0.00 0.00 59.36 58.06 2cue h GLU 25 Cb -0.05 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 28.57 2cue h GLU 25 CO -0.03 0.51 -1.07 0.35 -1.18 0.00 0.00 179.01 177.59 2cue h PHE 26 N 0.00 0.76 -0.10 0.92 3.04 -1.19 -1.69 116.94 118.68 2cue h PHE 26 Ca -0.01 -0.53 0.03 0.00 3.98 0.00 0.00 57.97 61.44 2cue h PHE 26 Cb 1.31 -0.04 -0.00 0.00 2.56 0.00 0.00 35.95 39.78 2cue h PHE 26 CO 0.00 1.40 0.20 1.05 -2.02 0.00 0.00 178.31 178.94 2cue h GLU 27 N -0.10 0.00 0.02 1.11 4.11 -1.04 -2.38 114.58 116.31 2cue h GLU 27 Ca -0.18 0.00 -0.39 0.00 0.07 0.00 0.00 59.36 58.86 2cue h GLU 27 Cb 1.83 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 31.02 2cue h GLU 27 CO 0.20 0.00 -2.25 -2.13 0.07 0.00 0.00 179.01 174.90 2cue n ARG 28 N -3.37 0.64 -3.72 1.06 0.63 -1.22 -4.98 116.66 105.69 2cue n ARG 28 Ca -0.00 0.26 -0.13 0.00 -0.92 0.00 0.00 57.85 57.06 2cue n ARG 28 Cb 0.29 -1.58 -0.13 0.00 0.45 0.00 0.00 32.46 31.49 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 -2.50 -0.07 -0.77 5.15 -1.32 -0.64 -5.02 115.64 110.47 2cue s THR 29 Ca -0.33 0.16 0.27 0.00 -1.21 0.00 0.00 61.69 60.58 2cue s THR 29 Cb 0.10 -0.37 0.28 0.00 -1.51 0.00 0.00 72.50 71.00 2cue s THR 29 CO 0.60 0.07 1.80 1.41 -2.21 0.00 0.00 174.62 176.28 2cue n HIS 30 N 4.33 0.80 -3.63 9.09 8.25 -1.24 -3.84 115.22 128.97 2cue n HIS 30 Ca -0.24 0.23 -0.28 0.00 -0.26 0.00 0.00 57.72 57.18 2cue n HIS 30 Cb 0.53 -0.88 -0.11 0.00 1.12 0.00 0.00 29.99 30.64 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 -3.09 2.24 -0.50 4.41 2.02 -1.26 -4.93 117.35 116.25 2cue s TYR 31 Ca 0.11 -2.78 -0.27 0.00 -0.37 0.00 0.00 57.07 53.76 2cue s TYR 31 Cb 0.13 -1.76 -0.02 0.00 -0.40 0.00 0.00 41.96 39.92 2cue s TYR 31 CO 0.59 -0.70 1.79 -1.25 -1.57 0.00 0.00 175.55 174.40 2cue s PRO 32 N -0.60 2.97 0.98 -1.71 0.04 -1.26 -4.98 135.00 130.44 2cue s PRO 32 Ca 0.29 0.91 -0.14 0.00 0.04 0.00 0.00 61.00 62.10 2cue s PRO 32 Cb -0.01 -4.28 0.13 0.00 0.04 0.00 0.00 34.50 30.37 2cue s PRO 32 CO -0.17 -2.31 0.13 -0.25 0.04 0.00 0.00 177.00 174.44 2cue n ASP 33 N 11.48 -2.85 -0.20 6.66 9.92 -1.26 -3.82 116.55 136.48 2cue n ASP 33 Ca 0.21 -0.30 0.10 0.00 -0.53 0.00 0.00 54.79 54.27 2cue n ASP 33 Cb 0.50 -0.75 0.40 0.00 -0.64 0.00 0.00 41.12 40.63 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 -2.45 0.90 0.00 2.53 3.04 -1.99 0.29 116.25 118.58 2cue h VAL 34 Ca -0.27 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.20 2cue h VAL 34 Cb 0.83 0.21 0.00 0.00 -2.01 0.00 0.00 31.29 30.31 2cue h VAL 34 CO 0.18 0.12 0.00 -0.26 -1.01 0.00 0.00 177.57 176.59 2cue h PHE 35 N 0.64 0.00 0.00 3.17 0.04 -2.00 -1.34 116.94 117.45 2cue h PHE 35 Ca 0.37 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.90 2cue h PHE 35 Cb 0.55 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.67 2cue h PHE 35 CO -0.00 0.00 -1.48 0.00 -0.60 0.00 0.00 178.31 176.23 2cue n ALA 36 N -1.99 0.86 -0.11 2.45 0.00 0.85 -3.54 120.51 119.02 2cue n ALA 36 Ca 0.00 -0.69 0.05 0.00 0.00 0.00 0.00 53.44 52.80 2cue n ALA 36 Cb 0.22 -0.20 0.38 0.00 0.00 0.00 0.00 19.45 19.85 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 0.66 0.43 0.00 3.08 -1.09 -0.44 114.38 116.02 2cue h ARG 37 Ca -0.36 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.63 2cue h ARG 37 Cb 1.22 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 31.13 2cue h ARG 37 CO -0.22 0.44 -0.21 0.93 -1.07 0.00 0.00 179.97 179.85 2cue h GLU 38 N 0.68 -0.55 -0.77 0.04 5.08 -1.44 0.88 114.58 118.50 2cue h GLU 38 Ca 0.25 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.75 2cue h GLU 38 Cb 0.13 0.13 -0.08 0.00 0.50 0.00 0.00 28.75 29.43 2cue h GLU 38 CO -0.07 -0.26 0.40 0.00 -1.00 0.00 0.00 179.01 178.08 2cue h ARG 39 N -1.01 0.63 -0.29 2.33 3.08 -1.56 -1.20 114.38 116.36 2cue h ARG 39 Ca -0.06 -0.04 -0.14 0.00 0.07 0.00 0.00 59.98 59.81 2cue h ARG 39 Cb 0.55 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 2cue h ARG 39 CO 0.10 0.41 -0.38 1.25 -1.07 0.00 0.00 179.97 180.28 2cue h LEU 40 N 0.64 0.72 -1.24 3.04 5.85 -1.11 -2.78 115.31 120.43 2cue h LEU 40 Ca 0.39 -0.32 0.34 0.00 0.84 0.00 0.00 57.88 59.12 2cue h LEU 40 Cb 0.43 -0.20 -0.12 0.00 0.37 0.00 0.00 40.66 41.14 2cue h LEU 40 CO -0.29 1.03 0.69 0.00 -0.34 0.00 0.00 178.44 179.53 2cue h ALA 41 N 1.01 2.28 0.00 1.25 0.00 0.47 0.97 119.26 125.24 2cue h ALA 41 Ca 0.05 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2cue h ALA 41 Cb 0.91 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.83 2cue h ALA 41 CO 0.08 -0.83 -1.05 0.00 0.00 0.00 0.00 179.25 177.44 2cue n ALA 42 N -2.42 2.96 0.18 0.00 0.00 -1.16 0.44 120.51 120.52 2cue n ALA 42 Ca 0.31 -0.33 0.04 0.00 0.00 0.00 0.00 53.44 53.46 2cue n ALA 42 Cb 1.09 -1.03 0.30 0.00 0.00 0.00 0.00 19.45 19.80 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 0.00 0.00 0.00 3.64 0.12 -3.29 116.57 117.04 2cue h LYS 43 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2cue h LYS 43 Cb 0.85 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.67 2cue h LYS 43 CO 0.00 0.43 0.00 0.44 -2.27 0.00 0.00 179.45 178.05 2cue n ILE 44 N -3.60 0.00 -2.84 2.00 -5.35 -0.50 -5.03 119.36 104.04 2cue n ILE 44 Ca -0.00 -0.35 -0.09 0.00 -0.27 0.00 0.00 62.75 62.03 2cue n ILE 44 Cb 0.53 1.18 0.04 0.00 -1.74 0.00 0.00 39.64 39.66 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 -0.28 -3.06 -4.30 7.28 2.03 -0.31 -4.88 116.55 113.04 2cue n ASP 45 Ca 0.00 -0.27 -0.26 0.00 0.52 0.00 0.00 54.79 54.79 2cue n ASP 45 Cb 0.05 -2.61 -0.13 0.00 -0.72 0.00 0.00 41.12 37.70 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 -3.96 2.26 0.28 -2.67 1.43 0.17 -4.99 118.68 111.20 2cue s LEU 46 Ca 0.14 -0.65 -0.29 0.00 -1.03 0.00 0.00 54.13 52.30 2cue s LEU 46 Cb -0.06 -0.99 -0.10 0.00 0.03 0.00 0.00 46.19 45.07 2cue s LEU 46 CO 0.34 0.12 1.25 -2.16 0.23 0.00 0.00 176.35 176.12 2cue s PRO 47 N -1.70 4.44 0.58 1.29 0.04 -1.26 -4.27 135.00 134.11 2cue s PRO 47 Ca 0.08 2.06 0.19 0.00 0.04 0.00 0.00 61.00 63.37 2cue s PRO 47 Cb -0.10 -3.14 1.03 0.00 0.04 0.00 0.00 34.50 32.33 2cue s PRO 47 CO 0.04 -0.09 1.54 1.49 0.04 0.00 0.00 177.00 180.02 2cue h GLU 48 N 4.01 0.00 0.23 4.56 4.81 -1.93 0.45 114.58 126.72 2cue h GLU 48 Ca -0.47 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.43 2cue h GLU 48 Cb 1.22 0.00 0.04 0.00 0.63 0.00 0.00 28.75 30.64 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 0.97 -0.15 0.26 2.92 0.00 -1.95 -3.28 119.26 118.02 2cue h ALA 49 Ca 0.00 -0.84 -0.01 0.00 0.00 0.00 0.00 54.91 54.06 2cue h ALA 49 Cb 0.97 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2cue h ALA 49 CO 0.00 0.66 -0.12 0.00 0.00 0.00 0.00 179.25 179.79 2cue h ARG 50 N 0.13 -0.33 -0.74 0.00 2.47 -0.45 -2.99 114.38 112.47 2cue h ARG 50 Ca -0.24 0.02 0.16 0.00 -1.26 0.00 0.00 59.98 58.66 2cue h ARG 50 Cb 2.11 0.08 -0.13 0.00 -1.65 0.00 0.00 29.97 30.37 2cue h ARG 50 CO 0.27 -0.16 -0.05 0.82 0.56 0.00 0.00 179.97 181.41 2cue h ILE 51 N -0.43 0.33 -0.49 2.04 2.04 -1.65 0.23 117.51 119.57 2cue h ILE 51 Ca -0.04 -0.02 0.10 0.00 1.00 0.00 0.00 64.86 65.90 2cue h ILE 51 Cb 0.33 0.25 -0.10 0.00 -0.74 0.00 0.00 36.82 36.56 2cue h ILE 51 CO 0.06 0.01 -0.18 1.56 0.00 0.00 0.00 178.15 179.60 2cue h GLN 52 N 0.07 -0.07 0.89 2.37 4.20 -1.58 -0.14 115.11 120.86 2cue h GLN 52 Ca 0.39 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 59.06 2cue h GLN 52 Cb 0.66 0.02 0.01 0.00 0.30 0.00 0.00 27.48 28.47 2cue h GLN 52 CO -0.68 -0.04 -0.43 0.28 -0.67 0.00 0.00 178.83 177.28 2cue h VAL 53 N -0.07 0.00 -1.10 -0.54 2.07 -0.95 0.64 116.25 116.30 2cue h VAL 53 Ca 0.23 -0.07 0.36 0.00 0.82 0.00 0.00 66.70 68.05 2cue h VAL 53 Cb 0.43 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 30.06 2cue h VAL 53 CO -0.54 0.00 0.66 -0.25 0.02 0.00 0.00 177.57 177.46 2cue h TRP 54 N -1.27 0.76 0.03 1.57 7.01 -0.93 1.01 115.95 124.14 2cue h TRP 54 Ca -0.12 0.03 -0.22 0.00 2.11 0.00 0.00 58.89 60.69 2cue h TRP 54 Cb 0.92 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.78 2cue h TRP 54 CO 0.01 -0.20 -0.97 0.74 -2.79 0.00 0.00 178.44 175.23 2cue h PHE 55 N 0.22 0.40 -0.23 2.65 -1.00 -0.78 -2.73 116.94 115.47 2cue h PHE 55 Ca 0.76 -0.24 -0.02 0.00 2.81 0.00 0.00 57.97 61.28 2cue h PHE 55 Cb 2.00 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 41.51 2cue h PHE 55 CO -0.01 1.08 0.06 1.03 -1.61 0.00 0.00 178.31 178.87 2cue h SER 56 N 0.13 0.35 -0.43 2.17 0.87 0.34 -2.74 113.55 114.23 2cue h SER 56 Ca -0.07 -0.22 -0.06 0.00 -1.23 0.00 0.00 61.79 60.20 2cue h SER 56 Cb 1.63 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 63.49 2cue h SER 56 CO 0.16 0.48 0.02 0.78 -0.53 0.00 0.00 176.83 177.73 2cue h ASN 57 N 0.20 0.73 -0.28 6.23 2.35 -1.10 -3.17 115.58 120.52 2cue h ASN 57 Ca 0.07 -0.30 0.07 0.00 -0.55 0.00 0.00 56.30 55.59 2cue h ASN 57 Cb 0.27 -0.19 -0.08 0.00 0.05 0.00 0.00 38.32 38.36 2cue h ASN 57 CO -0.00 0.84 -0.30 0.03 -1.65 0.00 0.00 177.43 176.35 2cue h ARG 58 N 0.59 -0.28 -1.26 0.81 2.47 -1.40 0.37 114.38 115.67 2cue h ARG 58 Ca 0.12 0.02 0.42 0.00 -1.26 0.00 0.00 59.98 59.29 2cue h ARG 58 Cb 0.46 0.06 -0.14 0.00 -1.65 0.00 0.00 29.97 28.71 2cue h ARG 58 CO 0.02 -0.19 0.79 0.00 0.56 0.00 0.00 179.97 181.15 2cue h ARG 59 N -0.29 0.09 -0.50 0.04 3.08 -1.46 1.11 114.38 116.45 2cue h ARG 59 Ca 0.14 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.11 2cue h ARG 59 Cb 0.52 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.53 2cue h ARG 59 CO -0.44 0.06 0.01 0.00 -1.07 0.00 0.00 179.97 178.53 2cue h ALA 60 N 1.67 0.67 -0.03 0.04 0.00 -1.01 0.10 119.26 120.70 2cue h ALA 60 Ca 0.82 -0.28 -0.20 0.00 0.00 0.00 0.00 54.91 55.25 2cue h ALA 60 Cb 2.46 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 20.06 2cue h ALA 60 CO -0.48 0.47 -0.85 -0.22 0.00 0.00 0.00 179.25 178.17 2cue h LYS 61 N 0.74 0.35 -0.25 0.00 3.64 0.12 -1.85 116.57 119.33 2cue h LYS 61 Ca 0.14 -0.34 -0.14 0.00 -1.27 0.00 0.00 60.65 59.04 2cue h LYS 61 Cb 0.50 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.41 2cue h LYS 61 CO 0.02 1.01 -0.40 2.35 -2.27 0.00 0.00 179.45 180.16 2cue h TRP 62 N 0.21 0.88 -0.14 1.91 7.01 -0.41 0.72 115.95 126.14 2cue h TRP 62 Ca -0.05 -0.30 -0.15 0.00 2.11 0.00 0.00 58.89 60.50 2cue h TRP 62 Cb 1.46 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 28.34 2cue h TRP 62 CO 0.05 1.08 -0.54 0.00 -2.79 0.00 0.00 178.44 176.23 2cue h ARG 63 N 0.43 0.41 0.01 2.65 3.08 -0.84 -0.73 114.38 119.39 2cue h ARG 63 Ca 0.02 -0.26 -0.27 0.00 0.07 0.00 0.00 59.98 59.54 2cue h ARG 63 Cb 1.00 0.03 0.02 0.00 0.08 0.00 0.00 29.97 31.10 2cue h ARG 63 CO 0.09 0.85 -1.06 0.07 -1.07 0.00 0.00 179.97 178.86 2cue h ARG 64 N 0.32 0.68 0.20 0.04 0.11 -1.31 -3.34 114.38 111.08 2cue h ARG 64 Ca 0.01 -0.74 -0.01 0.00 0.10 0.00 0.00 59.98 59.33 2cue h ARG 64 Cb 1.06 0.21 0.00 0.00 1.11 0.00 0.00 29.97 32.35 2cue h ARG 64 CO 0.09 1.32 -0.10 0.93 0.10 0.00 0.00 179.97 182.32 2cue h GLU 65 N 0.38 -0.26 -1.09 0.08 5.08 -0.83 -3.12 114.58 114.81 2cue h GLU 65 Ca -0.13 0.02 0.37 0.00 -1.00 0.00 0.00 59.36 58.62 2cue h GLU 65 Cb 1.71 0.06 -0.10 0.00 0.50 0.00 0.00 28.75 30.92 2cue h GLU 65 CO 0.21 0.12 0.71 -1.91 -1.00 0.00 0.00 179.01 177.14 2cue n GLU 66 N -5.00 -0.02 0.04 2.33 0.00 -0.28 0.79 120.64 118.48 2cue n GLU 66 Ca -0.09 0.94 -0.08 0.00 0.00 0.00 0.00 57.16 57.93 2cue n GLU 66 Cb 0.26 -1.88 -0.06 0.00 0.00 0.00 0.00 31.44 29.77 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 -0.20 -0.97 5.31 3.11 -1.66 -3.31 116.57 118.86 2cue h LYS 67 Ca 0.67 0.01 0.26 0.00 -2.81 0.00 0.00 60.65 58.79 2cue h LYS 67 Cb 2.23 0.04 -0.13 0.00 -1.00 0.00 0.00 32.23 33.37 2cue h LYS 67 CO -0.32 0.14 0.51 -0.07 -2.81 0.00 0.00 179.45 176.90 2cue h LEU 68 N -0.97 0.49 -1.10 5.20 3.38 0.44 0.38 115.31 123.12 2cue h LEU 68 Ca -0.02 0.16 0.18 0.00 0.09 0.00 0.00 57.88 58.29 2cue h LEU 68 Cb 0.43 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.19 2cue h LEU 68 CO 0.03 -0.01 0.61 -0.09 0.09 0.00 0.00 178.44 179.07 2cue h ARG 69 N 0.43 0.73 -0.14 1.13 2.43 -1.25 0.21 114.38 117.92 2cue h ARG 69 Ca 0.64 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.69 2cue h ARG 69 Cb 1.30 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 2cue h ARG 69 CO -0.54 0.48 -0.28 -0.97 -1.51 0.00 0.00 179.97 177.15 2cue h ASN 70 N 0.75 0.25 0.41 -3.80 -0.73 -0.32 -2.03 115.58 110.10 2cue h ASN 70 Ca 0.54 -0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.63 2cue h ASN 70 Cb 0.86 -0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.38 2cue h ASN 70 CO -0.32 0.53 0.00 0.00 -0.37 0.00 0.00 177.43 177.27 2cue n GLN 71 N -4.14 0.09 -0.67 6.67 1.13 0.72 -1.53 117.38 119.66 2cue n GLN 71 Ca -0.01 0.42 0.06 0.00 -1.94 0.00 0.00 57.00 55.53 2cue n GLN 71 Cb 0.38 -1.72 0.31 0.00 0.11 0.00 0.00 30.24 29.32 2cue n GLN 71 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2cue n ARG 72 N -1.90 3.55 -2.52 -1.09 3.00 -0.76 -4.93 116.66 112.01 2cue n ARG 72 Ca 0.02 -3.00 -0.11 0.00 -0.00 0.00 0.00 57.85 54.76 2cue n ARG 72 Cb 0.14 -2.02 -0.02 0.00 0.00 0.00 0.00 32.46 30.56 2cue n ARG 72 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.63 180.52 2cue n ARG 73 N -0.17 -1.82 -0.07 -0.14 -4.01 -0.58 -4.72 116.66 105.14 2cue n ARG 73 Ca 0.26 0.04 -0.09 0.00 -1.04 0.00 0.00 57.85 57.02 2cue n ARG 73 Cb 1.06 -3.20 -0.06 0.00 -3.04 0.00 0.00 32.46 27.22 2cue n ARG 73 CO 0.00 0.00 0.00 0.37 -3.04 0.00 0.00 177.63 174.96 2cue h GLN 74 N -0.22 0.00 -4.89 2.89 4.15 -1.80 -3.49 115.11 111.76 2cue h GLN 74 Ca -0.15 0.00 -0.30 0.00 0.77 0.00 0.00 58.65 58.97 2cue h GLN 74 Cb 0.80 0.00 -0.17 0.00 0.21 0.00 0.00 27.48 28.32 2cue h GLN 74 CO 0.23 0.45 -0.72 -1.12 -1.93 0.00 0.00 178.83 175.73 2cue s SER 75 N -6.01 1.41 0.00 -0.69 0.01 -1.26 -5.11 113.70 102.04 2cue s SER 75 Ca -0.14 -0.87 0.00 0.00 1.31 0.00 0.00 55.95 56.26 2cue s SER 75 Cb 0.01 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.26 2cue s SER 75 CO 0.34 -0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.29 2cue n GLY 76 N 0.37 -0.13 3.64 3.44 0.00 -1.26 -4.45 105.19 106.80 2cue n GLY 76 Ca -0.15 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 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 -2.00 3.94 -0.03 1.61 0.04 -1.26 -4.99 135.00 132.30 2cue s PRO 77 Ca 0.00 1.78 -0.21 0.00 0.04 0.00 0.00 61.00 62.61 2cue s PRO 77 Cb 0.00 -3.99 -0.05 0.00 0.04 0.00 0.00 34.50 30.50 2cue s PRO 77 CO 0.00 -1.12 0.59 0.45 0.04 0.00 0.00 177.00 176.97 2cue s SER 78 N 3.73 6.93 -0.35 6.66 0.15 -1.26 -5.05 113.70 124.51 2cue s SER 78 Ca 0.70 1.11 -0.12 0.00 0.70 0.00 0.00 55.95 58.34 2cue s SER 78 Cb -0.26 -2.36 0.01 0.00 -1.71 0.00 0.00 66.02 61.69 2cue s SER 78 CO 0.27 0.05 0.21 -0.55 1.20 0.00 0.00 173.24 174.42 2cue s SER 79 N 0.11 5.79 0.00 5.45 0.15 -1.26 -5.35 113.70 118.60 2cue s SER 79 Ca 0.31 -0.72 0.00 0.00 0.70 0.00 0.00 55.95 56.24 2cue s SER 79 Cb -0.18 -2.06 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 2cue s SER 79 CO 0.16 -0.31 0.12 0.61 1.20 0.00 0.00 173.24 175.02