#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 1.09 -4.21 1.61 7.64 -1.26 -4.96 113.62 113.53 2cue n SER 2 Ca 0.00 0.18 -0.34 0.00 1.01 0.00 0.00 58.87 59.72 2cue n SER 2 Cb 0.00 -0.63 -0.15 0.00 -1.01 0.00 0.00 64.21 62.43 2cue n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2cue s SER 3 N -5.09 4.00 0.00 6.43 1.04 -1.26 -5.08 113.70 113.74 2cue s SER 3 Ca -0.16 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 55.59 2cue s SER 3 Cb 0.02 -1.64 0.00 0.00 0.10 0.00 0.00 66.02 64.51 2cue s SER 3 CO 0.24 -0.06 0.00 0.61 0.98 0.00 0.00 173.24 175.01 2cue n GLY 4 N 4.69 5.17 3.65 7.32 0.00 -1.26 -5.18 105.19 119.58 2cue n GLY 4 Ca -0.18 -1.64 0.00 0.00 0.00 0.00 0.00 46.02 44.20 2cue n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2cue s SER 5 N 1.00 -0.09 -0.07 1.61 0.15 -1.26 -5.16 113.70 109.87 2cue s SER 5 Ca 0.00 -0.19 0.03 0.00 0.70 0.00 0.00 55.95 56.49 2cue s SER 5 Cb 0.00 0.23 0.01 0.00 -1.71 0.00 0.00 66.02 64.55 2cue s SER 5 CO 0.00 -0.43 -0.14 -0.94 1.20 0.00 0.00 173.24 172.93 2cue s SER 6 N -2.93 2.01 -0.38 5.45 1.04 -1.26 -4.92 113.70 112.72 2cue s SER 6 Ca 0.13 -0.35 -0.12 0.00 0.48 0.00 0.00 55.95 56.10 2cue s SER 6 Cb 0.03 -0.93 0.02 0.00 0.10 0.00 0.00 66.02 65.24 2cue s SER 6 CO -0.03 0.06 0.39 0.61 0.98 0.00 0.00 173.24 175.25 2cue n GLY 7 N 3.76 -2.18 3.09 7.32 0.00 -1.26 -5.05 105.19 110.87 2cue n GLY 7 Ca -0.22 0.96 -0.20 0.00 0.00 0.00 0.00 46.02 46.55 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 -2.23 0.95 -0.22 1.61 -1.52 -1.26 -5.12 119.66 111.87 2cue s GLN 8 Ca 0.17 -0.54 -0.21 0.00 -1.95 0.00 0.00 55.36 52.83 2cue s GLN 8 Cb -0.04 -0.92 -0.02 0.00 -0.22 0.00 0.00 33.01 31.80 2cue s GLN 8 CO 0.76 0.24 0.63 0.50 -0.25 0.00 0.00 175.29 177.17 2cue s ARG 9 N -0.58 4.17 -0.24 2.91 6.06 -1.26 -4.93 118.95 125.08 2cue s ARG 9 Ca 0.03 0.58 -0.09 0.00 -2.50 0.00 0.00 55.73 53.76 2cue s ARG 9 Cb -0.06 -3.61 -0.12 0.00 0.06 0.00 0.00 34.95 31.23 2cue s ARG 9 CO 0.00 -0.31 -0.29 0.09 -2.50 0.00 0.00 175.30 172.30 2cue n ASN 10 N 5.30 1.86 -3.59 -2.12 3.02 -1.26 -5.07 115.26 113.40 2cue n ASN 10 Ca -0.01 0.19 -0.11 0.00 -0.03 0.00 0.00 54.58 54.61 2cue n ASN 10 Cb 0.49 -0.63 -0.04 0.00 -0.61 0.00 0.00 39.78 38.99 2cue n ASN 10 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2cue s ARG 11 N -2.45 1.08 0.05 3.52 3.03 -1.26 -5.18 118.95 117.75 2cue s ARG 11 Ca -0.33 -0.57 0.07 0.00 2.03 0.00 0.00 55.73 56.92 2cue s ARG 11 Cb 0.12 0.48 -0.03 0.00 -1.03 0.00 0.00 34.95 34.50 2cue s ARG 11 CO 0.46 -0.43 -0.19 -0.08 -1.13 0.00 0.00 175.30 173.94 2cue s THR 12 N -3.49 1.50 -0.24 4.99 -1.32 -1.26 -5.06 115.64 110.76 2cue s THR 12 Ca 0.01 -1.19 -0.15 0.00 -1.21 0.00 0.00 61.69 59.15 2cue s THR 12 Cb 0.01 -1.32 -0.09 0.00 -1.51 0.00 0.00 72.50 69.58 2cue s THR 12 CO -0.10 0.10 -0.35 -1.20 -2.21 0.00 0.00 174.62 170.86 2cue n SER 13 N 1.75 1.93 -4.62 8.08 7.64 -1.26 -5.01 113.62 122.14 2cue n SER 13 Ca -0.18 0.33 -0.29 0.00 1.01 0.00 0.00 58.87 59.75 2cue n SER 13 Cb 0.54 -0.78 0.20 0.00 -1.01 0.00 0.00 64.21 63.16 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 -2.67 1.88 0.10 1.43 0.40 -1.26 -5.06 117.98 112.81 2cue s PHE 14 Ca -0.34 1.06 0.08 0.00 -0.60 0.00 0.00 56.93 57.12 2cue s PHE 14 Cb 0.10 -3.21 -0.04 0.00 0.51 0.00 0.00 43.02 40.38 2cue s PHE 14 CO 0.46 -3.18 -0.16 0.95 0.70 0.00 0.00 175.22 173.99 2cue s THR 15 N -2.81 2.99 0.40 0.64 -4.23 -1.26 -4.98 115.64 106.38 2cue s THR 15 Ca 0.66 -1.40 0.21 0.00 -1.18 0.00 0.00 61.69 59.98 2cue s THR 15 Cb -0.20 -2.36 0.41 0.00 1.34 0.00 0.00 72.50 71.68 2cue s THR 15 CO 0.60 0.13 1.72 -0.61 -0.54 0.00 0.00 174.62 175.92 2cue h GLN 16 N 3.80 0.30 -0.32 3.99 -0.00 -1.98 0.92 115.11 121.83 2cue h GLN 16 Ca -0.49 -0.02 -0.05 0.00 -0.00 0.00 0.00 58.65 58.09 2cue h GLN 16 Cb 1.17 -0.07 -0.02 0.00 0.00 0.00 0.00 27.48 28.56 2cue h GLN 16 CO 0.48 0.20 -0.03 0.93 0.00 0.00 0.00 178.83 180.41 2cue h GLU 17 N 0.31 0.50 0.09 1.69 4.39 -2.00 -0.97 114.58 118.58 2cue h GLU 17 Ca 0.67 -0.11 -0.30 0.00 0.34 0.00 0.00 59.36 59.96 2cue h GLU 17 Cb 1.79 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 30.36 2cue h GLU 17 CO -0.36 0.55 -1.53 1.96 -1.16 0.00 0.00 179.01 178.47 2cue h GLN 18 N 0.47 0.19 -0.28 2.33 4.20 0.33 -3.34 115.11 119.02 2cue h GLN 18 Ca 0.10 -0.33 -0.03 0.00 0.06 0.00 0.00 58.65 58.45 2cue h GLN 18 Cb 0.36 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 2cue h GLN 18 CO 0.01 1.02 0.06 0.82 -0.67 0.00 0.00 178.83 180.07 2cue h ILE 19 N 0.05 1.22 -0.82 2.54 2.04 -0.27 -0.84 117.51 121.43 2cue h ILE 19 Ca -0.24 -0.75 0.16 0.00 1.00 0.00 0.00 64.86 65.03 2cue h ILE 19 Cb 1.99 1.18 -0.10 0.00 -0.74 0.00 0.00 36.82 39.15 2cue h ILE 19 CO 0.14 0.25 0.37 1.05 0.00 0.00 0.00 178.15 179.96 2cue h GLU 20 N 0.29 0.48 0.00 2.37 4.11 -1.32 0.61 114.58 121.12 2cue h GLU 20 Ca 0.09 -0.03 -0.18 0.00 0.07 0.00 0.00 59.36 59.30 2cue h GLU 20 Cb 0.31 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 2cue h GLU 20 CO 0.00 0.32 -0.84 0.00 0.07 0.00 0.00 179.01 178.56 2cue h ALA 21 N 1.59 0.59 0.00 1.06 0.00 -1.64 -2.56 119.26 118.30 2cue h ALA 21 Ca 0.47 -0.73 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 2cue h ALA 21 Cb 0.74 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2cue h ALA 21 CO -0.42 0.96 -0.57 -0.07 0.00 0.00 0.00 179.25 179.15 2cue h LEU 22 N 0.06 0.00 0.13 0.00 3.38 0.58 -2.87 115.31 116.59 2cue h LEU 22 Ca -0.03 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.66 2cue h LEU 22 Cb 1.47 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.22 2cue h LEU 22 CO 0.12 0.57 -1.29 -0.33 0.09 0.00 0.00 178.44 177.60 2cue h GLU 23 N 0.00 0.28 -0.11 1.13 5.08 0.14 -2.85 114.58 118.25 2cue h GLU 23 Ca -0.01 -0.48 -0.08 0.00 -1.00 0.00 0.00 59.36 57.79 2cue h GLU 23 Cb 1.13 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 2cue h GLU 23 CO 0.07 1.22 -0.30 -0.22 -1.00 0.00 0.00 179.01 178.78 2cue h LYS 24 N 0.08 0.21 0.00 2.33 3.64 -1.43 -0.75 116.57 120.64 2cue h LYS 24 Ca -0.15 -0.07 -0.10 0.00 -1.27 0.00 0.00 60.65 59.06 2cue h LYS 24 Cb 1.99 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.78 2cue h LYS 24 CO 0.20 0.50 -0.57 1.49 -2.27 0.00 0.00 179.45 178.80 2cue h GLU 25 N 0.18 0.00 0.23 1.90 4.57 -1.57 -3.32 114.58 116.58 2cue h GLU 25 Ca 0.03 0.00 -0.31 0.00 -1.18 0.00 0.00 59.36 57.90 2cue h GLU 25 Cb 0.63 0.00 0.03 0.00 -0.16 0.00 0.00 28.75 29.26 2cue h GLU 25 CO 0.05 0.39 -1.36 0.35 -1.18 0.00 0.00 179.01 177.26 2cue h PHE 26 N 0.00 0.89 -0.15 0.92 3.04 -1.21 -2.07 116.94 118.36 2cue h PHE 26 Ca -0.02 -0.65 0.04 0.00 3.98 0.00 0.00 57.97 61.32 2cue h PHE 26 Cb 1.35 -0.04 -0.01 0.00 2.56 0.00 0.00 35.95 39.82 2cue h PHE 26 CO 0.00 1.52 0.19 1.05 -2.02 0.00 0.00 178.31 179.06 2cue h GLU 27 N 0.04 0.00 0.00 1.11 4.11 -1.24 -2.81 114.58 115.79 2cue h GLU 27 Ca -0.24 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 58.90 2cue h GLU 27 Cb 2.06 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 31.27 2cue h GLU 27 CO 0.25 0.00 -1.68 -2.13 0.07 0.00 0.00 179.01 175.52 2cue n ARG 28 N -3.65 0.56 -3.94 1.06 0.63 -1.23 -4.96 116.66 105.14 2cue n ARG 28 Ca 0.01 0.44 -0.20 0.00 -0.92 0.00 0.00 57.85 57.18 2cue n ARG 28 Cb 0.31 -1.64 -0.17 0.00 0.45 0.00 0.00 32.46 31.41 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 -2.43 0.34 -0.76 5.15 -1.32 -0.78 -5.01 115.64 110.83 2cue s THR 29 Ca -0.32 0.05 0.26 0.00 -1.21 0.00 0.00 61.69 60.47 2cue s THR 29 Cb 0.09 -0.44 0.26 0.00 -1.51 0.00 0.00 72.50 70.90 2cue s THR 29 CO 0.52 0.21 1.78 1.41 -2.21 0.00 0.00 174.62 176.33 2cue n HIS 30 N 4.49 0.66 -3.54 9.09 8.25 -1.24 -3.98 115.22 128.95 2cue n HIS 30 Ca -0.18 0.21 -0.27 0.00 -0.26 0.00 0.00 57.72 57.21 2cue n HIS 30 Cb 0.50 -0.83 -0.11 0.00 1.12 0.00 0.00 29.99 30.67 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 -3.11 1.79 -0.40 4.41 2.02 -1.26 -4.92 117.35 115.87 2cue s TYR 31 Ca 0.10 -2.59 -0.28 0.00 -0.37 0.00 0.00 57.07 53.93 2cue s TYR 31 Cb 0.13 -1.43 -0.01 0.00 -0.40 0.00 0.00 41.96 40.24 2cue s TYR 31 CO 0.52 -0.75 1.74 -1.25 -1.57 0.00 0.00 175.55 174.24 2cue s PRO 32 N -0.33 3.24 1.12 -1.71 0.04 -1.26 -4.99 135.00 131.12 2cue s PRO 32 Ca 0.30 1.17 -0.16 0.00 0.04 0.00 0.00 61.00 62.36 2cue s PRO 32 Cb 0.00 -4.20 0.24 0.00 0.04 0.00 0.00 34.50 30.58 2cue s PRO 32 CO -0.18 -1.97 0.53 -0.25 0.04 0.00 0.00 177.00 175.17 2cue n ASP 33 N 10.48 -3.36 -0.09 6.66 8.00 -1.26 -3.96 116.55 133.03 2cue n ASP 33 Ca 0.21 -0.54 0.08 0.00 0.71 0.00 0.00 54.79 55.25 2cue n ASP 33 Cb 0.48 -0.82 0.44 0.00 -0.02 0.00 0.00 41.12 41.20 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 -3.02 0.99 0.00 2.53 3.04 -1.98 0.13 116.25 117.94 2cue h VAL 34 Ca -0.26 -0.19 -0.01 0.00 -1.01 0.00 0.00 66.70 65.23 2cue h VAL 34 Cb 0.86 0.39 -0.00 0.00 -2.01 0.00 0.00 31.29 30.52 2cue h VAL 34 CO 0.16 0.10 -0.05 -0.26 -1.01 0.00 0.00 177.57 176.51 2cue h PHE 35 N 0.55 0.00 0.00 3.17 0.04 -1.99 -0.76 116.94 117.95 2cue h PHE 35 Ca 0.25 0.00 -0.30 0.00 2.80 0.00 0.00 57.97 60.72 2cue h PHE 35 Cb 0.30 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.40 2cue h PHE 35 CO -0.00 0.05 -1.66 0.00 -0.60 0.00 0.00 178.31 176.10 2cue n ALA 36 N -2.14 0.91 -0.22 2.45 0.00 0.25 -3.50 120.51 118.27 2cue n ALA 36 Ca -0.01 -0.70 0.00 0.00 0.00 0.00 0.00 53.44 52.74 2cue n ALA 36 Cb 0.25 -0.30 0.24 0.00 0.00 0.00 0.00 19.45 19.65 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 0.99 0.36 0.00 3.08 -0.98 -0.45 114.38 116.38 2cue h ARG 37 Ca -0.45 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.52 2cue h ARG 37 Cb 1.38 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2cue h ARG 37 CO -0.27 0.66 -0.17 0.93 -1.07 0.00 0.00 179.97 180.05 2cue h GLU 38 N 1.02 -0.46 -0.81 0.04 5.08 -1.33 0.78 114.58 118.90 2cue h GLU 38 Ca 0.27 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.76 2cue h GLU 38 Cb -0.11 0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.18 2cue h GLU 38 CO -0.06 -0.15 0.46 0.00 -1.00 0.00 0.00 179.01 178.27 2cue h ARG 39 N -0.86 0.76 -0.29 2.33 3.08 -1.56 -1.46 114.38 116.39 2cue h ARG 39 Ca -0.05 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.82 2cue h ARG 39 Cb 0.53 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 2cue h ARG 39 CO 0.08 0.50 -0.38 1.25 -1.07 0.00 0.00 179.97 180.35 2cue h LEU 40 N 0.78 0.70 -1.23 3.04 5.85 -1.08 -2.85 115.31 120.52 2cue h LEU 40 Ca 0.39 -0.31 0.33 0.00 0.84 0.00 0.00 57.88 59.13 2cue h LEU 40 Cb 0.34 -0.20 -0.12 0.00 0.37 0.00 0.00 40.66 41.05 2cue h LEU 40 CO -0.24 1.01 0.68 0.00 -0.34 0.00 0.00 178.44 179.55 2cue h ALA 41 N 1.02 2.25 0.00 1.25 0.00 0.29 0.93 119.26 125.00 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 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.82 2cue h ALA 41 CO 0.08 -0.79 -0.99 0.00 0.00 0.00 0.00 179.25 177.55 2cue n ALA 42 N -2.41 2.67 0.12 0.00 0.00 -1.15 0.42 120.51 120.14 2cue n ALA 42 Ca 0.31 -0.26 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 2cue n ALA 42 Cb 1.06 -1.09 0.12 0.00 0.00 0.00 0.00 19.45 19.54 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 0.06 0.00 0.00 3.64 0.10 -3.28 116.57 117.09 2cue h LYS 43 Ca 0.00 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2cue h LYS 43 Cb 0.94 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2cue h LYS 43 CO 0.00 0.71 0.00 0.44 -2.27 0.00 0.00 179.45 178.33 2cue n ILE 44 N -3.77 0.43 -3.44 2.00 -5.35 -0.18 -5.02 119.36 104.03 2cue n ILE 44 Ca -0.01 -0.64 -0.18 0.00 -0.27 0.00 0.00 62.75 61.65 2cue n ILE 44 Cb 0.66 0.86 0.07 0.00 -1.74 0.00 0.00 39.64 39.49 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 -0.21 -3.20 -4.16 7.28 8.00 -0.30 -4.84 116.55 119.12 2cue n ASP 45 Ca 0.00 -0.70 -0.19 0.00 0.71 0.00 0.00 54.79 54.62 2cue n ASP 45 Cb 0.16 -4.89 -0.12 0.00 -0.02 0.00 0.00 41.12 36.26 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 -6.17 2.25 0.20 0.64 1.43 0.17 -5.00 118.68 112.20 2cue s LEU 46 Ca 0.14 -0.58 -0.30 0.00 -1.03 0.00 0.00 54.13 52.36 2cue s LEU 46 Cb -0.02 -0.52 -0.09 0.00 0.03 0.00 0.00 46.19 45.59 2cue s LEU 46 CO 0.75 -0.06 1.30 -2.16 0.23 0.00 0.00 176.35 176.42 2cue s PRO 47 N -1.60 4.40 0.65 1.29 0.04 -1.26 -4.31 135.00 134.20 2cue s PRO 47 Ca -0.01 2.05 0.17 0.00 0.04 0.00 0.00 61.00 63.24 2cue s PRO 47 Cb -0.10 -3.19 0.85 0.00 0.04 0.00 0.00 34.50 32.10 2cue s PRO 47 CO 0.02 -0.24 1.46 1.49 0.04 0.00 0.00 177.00 179.78 2cue h GLU 48 N 5.29 0.00 0.09 4.56 4.81 -1.93 0.82 114.58 128.21 2cue h GLU 48 Ca -0.45 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.50 2cue h GLU 48 Cb 1.21 0.00 0.03 0.00 0.63 0.00 0.00 28.75 30.62 2cue h GLU 48 CO 0.77 0.00 -1.14 0.00 -0.73 0.00 0.00 179.01 177.91 2cue h ALA 49 N 0.69 0.01 0.24 2.92 0.00 -1.96 -3.26 119.26 117.92 2cue h ALA 49 Ca 0.07 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.23 2cue h ALA 49 Cb 1.51 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.40 2cue h ALA 49 CO -0.00 0.64 -0.12 0.00 0.00 0.00 0.00 179.25 179.78 2cue h ARG 50 N 0.23 -0.31 -0.72 0.00 2.47 0.31 -2.90 114.38 113.46 2cue h ARG 50 Ca -0.17 0.02 0.16 0.00 -1.26 0.00 0.00 59.98 58.73 2cue h ARG 50 Cb 1.82 0.07 -0.13 0.00 -1.65 0.00 0.00 29.97 30.08 2cue h ARG 50 CO 0.22 -0.18 0.01 0.82 0.56 0.00 0.00 179.97 181.40 2cue h ILE 51 N -0.36 0.38 -0.66 2.04 2.04 -1.64 0.99 117.51 120.30 2cue h ILE 51 Ca -0.03 -0.04 0.13 0.00 1.00 0.00 0.00 64.86 65.92 2cue h ILE 51 Cb 0.27 0.26 -0.10 0.00 -0.74 0.00 0.00 36.82 36.52 2cue h ILE 51 CO 0.05 0.02 0.15 1.56 0.00 0.00 0.00 178.15 179.93 2cue h GLN 52 N 0.11 0.26 0.65 2.37 4.20 -1.55 -0.49 115.11 120.66 2cue h GLN 52 Ca 0.39 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 59.05 2cue h GLN 52 Cb 0.68 -0.06 0.01 0.00 0.30 0.00 0.00 27.48 28.40 2cue h GLN 52 CO -0.63 0.17 -0.31 0.28 -0.67 0.00 0.00 178.83 177.67 2cue h VAL 53 N 0.27 0.00 -0.95 -0.54 2.07 -0.76 -0.73 116.25 115.60 2cue h VAL 53 Ca 0.36 -0.21 0.30 0.00 0.82 0.00 0.00 66.70 67.97 2cue h VAL 53 Cb 0.57 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.18 2cue h VAL 53 CO -0.45 0.00 0.31 -0.25 0.02 0.00 0.00 177.57 177.20 2cue h TRP 54 N -1.08 0.46 -0.21 1.57 7.01 -0.98 0.90 115.95 123.62 2cue h TRP 54 Ca -0.09 0.05 -0.15 0.00 2.11 0.00 0.00 58.89 60.81 2cue h TRP 54 Cb 0.67 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.68 2cue h TRP 54 CO 0.03 -0.31 -0.49 0.74 -2.79 0.00 0.00 178.44 175.61 2cue h PHE 55 N 0.14 0.69 0.83 2.65 -1.00 -1.04 -2.69 116.94 116.52 2cue h PHE 55 Ca 0.66 -0.23 -0.04 0.00 2.81 0.00 0.00 57.97 61.17 2cue h PHE 55 Cb 1.48 -0.14 0.01 0.00 3.61 0.00 0.00 35.95 40.91 2cue h PHE 55 CO -0.22 0.95 -0.40 1.03 -1.61 0.00 0.00 178.31 178.05 2cue h SER 56 N 0.45 -0.95 -0.77 2.17 0.87 0.23 -2.28 113.55 113.27 2cue h SER 56 Ca 0.02 0.03 0.09 0.00 -1.23 0.00 0.00 61.79 60.71 2cue h SER 56 Cb 1.02 0.25 -0.05 0.00 -0.44 0.00 0.00 62.40 63.18 2cue h SER 56 CO 0.09 -0.68 0.50 0.78 -0.53 0.00 0.00 176.83 177.00 2cue h ASN 57 N -1.12 0.62 -0.05 6.23 2.35 -1.28 -2.20 115.58 120.14 2cue h ASN 57 Ca -0.11 0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.67 2cue h ASN 57 Cb 0.86 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 39.09 2cue h ASN 57 CO 0.19 0.37 -0.08 0.03 -1.65 0.00 0.00 177.43 176.29 2cue h ARG 58 N 0.69 -0.12 -1.01 0.81 2.47 -1.18 -2.01 114.38 114.03 2cue h ARG 58 Ca 0.35 0.01 0.29 0.00 -1.26 0.00 0.00 59.98 59.38 2cue h ARG 58 Cb 0.45 0.03 -0.14 0.00 -1.65 0.00 0.00 29.97 28.66 2cue h ARG 58 CO -0.13 -0.08 0.59 0.00 0.56 0.00 0.00 179.97 180.91 2cue h ARG 59 N -0.12 0.41 0.00 0.04 3.08 -0.82 1.11 114.38 118.07 2cue h ARG 59 Ca 0.05 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.98 2cue h ARG 59 Cb 0.19 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2cue h ARG 59 CO -0.12 0.27 -0.45 0.00 -1.07 0.00 0.00 179.97 178.60 2cue h ALA 60 N 1.79 1.18 0.00 0.04 0.00 -1.38 0.10 119.26 120.98 2cue h ALA 60 Ca 0.70 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2cue h ALA 60 Cb 1.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 2cue h ALA 60 CO -0.54 0.56 -0.52 -0.22 0.00 0.00 0.00 179.25 178.53 2cue h LYS 61 N 0.00 0.00 0.08 0.00 3.64 0.14 -2.98 116.57 117.46 2cue h LYS 61 Ca -0.00 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.08 2cue h LYS 61 Cb 0.83 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.63 2cue h LYS 61 CO 0.06 0.15 -1.61 2.35 -2.27 0.00 0.00 179.45 178.13 2cue h TRP 62 N 0.00 0.31 -0.24 1.91 7.01 -0.30 -3.06 115.95 121.58 2cue h TRP 62 Ca -0.02 -0.23 -0.06 0.00 2.11 0.00 0.00 58.89 60.69 2cue h TRP 62 Cb 1.16 -0.01 -0.01 0.00 -2.10 0.00 0.00 29.16 28.19 2cue h TRP 62 CO 0.00 1.63 -0.13 0.00 -2.79 0.00 0.00 178.44 177.15 2cue h ARG 63 N -0.38 0.39 0.01 2.65 3.08 -0.94 0.19 114.38 119.38 2cue h ARG 63 Ca -0.37 -0.11 -0.26 0.00 0.07 0.00 0.00 59.98 59.32 2cue h ARG 63 Cb 1.72 -0.05 0.02 0.00 0.08 0.00 0.00 29.97 31.74 2cue h ARG 63 CO -0.02 0.53 -1.03 0.07 -1.07 0.00 0.00 179.97 178.45 2cue h ARG 64 N 0.37 0.60 0.28 0.04 0.11 -1.68 -3.29 114.38 110.81 2cue h ARG 64 Ca 0.07 -0.66 -0.01 0.00 0.10 0.00 0.00 59.98 59.48 2cue h ARG 64 Cb 0.46 0.19 0.00 0.00 1.11 0.00 0.00 29.97 31.73 2cue h ARG 64 CO 0.03 1.26 -0.14 0.93 0.10 0.00 0.00 179.97 182.15 2cue h GLU 65 N 0.33 -0.37 -0.77 0.08 5.08 -1.39 -3.23 114.58 114.31 2cue h GLU 65 Ca -0.12 0.02 0.32 0.00 -1.00 0.00 0.00 59.36 58.58 2cue h GLU 65 Cb 1.68 0.08 -0.13 0.00 0.50 0.00 0.00 28.75 30.88 2cue h GLU 65 CO 0.19 -0.20 0.42 -1.91 -1.00 0.00 0.00 179.01 176.52 2cue n GLU 66 N -5.03 -0.04 0.06 2.33 0.00 0.63 0.17 120.64 118.76 2cue n GLU 66 Ca -0.05 1.03 -0.13 0.00 0.00 0.00 0.00 57.16 58.01 2cue n GLU 66 Cb 0.17 -1.86 -0.08 0.00 0.00 0.00 0.00 31.44 29.67 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 -0.13 -1.36 5.31 1.63 -1.62 -2.68 116.57 117.71 2cue h LYS 67 Ca 0.64 0.01 0.40 0.00 -0.85 0.00 0.00 60.65 60.84 2cue h LYS 67 Cb 1.71 0.03 -0.07 0.00 -0.60 0.00 0.00 32.23 33.31 2cue h LYS 67 CO -0.56 0.12 0.96 -0.07 -3.45 0.00 0.00 179.45 176.45 2cue h LEU 68 N -0.36 0.07 0.02 5.20 3.38 0.17 0.84 115.31 124.62 2cue h LEU 68 Ca -0.01 0.02 -0.27 0.00 0.09 0.00 0.00 57.88 57.71 2cue h LEU 68 Cb 0.30 0.01 0.02 0.00 0.09 0.00 0.00 40.66 41.08 2cue h LEU 68 CO 0.02 -0.01 -1.14 -0.09 0.09 0.00 0.00 178.44 177.31 2cue h ARG 69 N 0.05 0.48 -0.45 1.13 2.43 -1.24 -3.01 114.38 113.77 2cue h ARG 69 Ca 0.67 -0.63 -0.13 0.00 -0.81 0.00 0.00 59.98 59.09 2cue h ARG 69 Cb 2.56 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 32.30 2cue h ARG 69 CO -0.07 1.26 -0.23 -0.97 -1.51 0.00 0.00 179.97 178.44 2cue h ASN 70 N 0.22 0.96 1.00 -3.80 -1.24 0.89 0.52 115.58 114.13 2cue h ASN 70 Ca -0.14 -0.36 0.00 0.00 0.71 0.00 0.00 56.30 56.51 2cue h ASN 70 Cb 1.81 -0.26 0.00 0.00 0.73 0.00 0.00 38.32 40.60 2cue h ASN 70 CO 0.21 1.14 0.00 0.06 -1.29 0.00 0.00 177.43 177.55 2cue h GLN 71 N 0.81 0.00 0.04 6.67 3.07 -1.08 -3.00 115.11 121.62 2cue h GLN 71 Ca 0.10 0.00 -0.34 0.00 0.09 0.00 0.00 58.65 58.51 2cue h GLN 71 Cb 0.79 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.31 2cue h GLN 71 CO 0.07 0.00 -1.98 -2.13 0.09 0.00 0.00 178.83 174.88 2cue n ARG 72 N -3.09 0.69 -1.23 0.06 0.63 -1.00 -4.97 116.66 107.75 2cue n ARG 72 Ca 0.01 0.23 -0.42 0.00 -0.92 0.00 0.00 57.85 56.75 2cue n ARG 72 Cb 0.30 -1.70 -0.02 0.00 0.45 0.00 0.00 32.46 31.48 2cue n ARG 72 CO 0.00 0.00 0.00 -2.13 -2.51 0.00 0.00 177.63 172.99 2cue n ARG 73 N -3.18 0.00 -3.97 -0.14 0.63 0.14 -4.94 116.66 105.20 2cue n ARG 73 Ca -0.27 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.35 2cue n ARG 73 Cb 1.06 -0.88 -0.15 0.00 0.45 0.00 0.00 32.46 32.93 2cue n ARG 73 CO 0.00 0.00 0.00 -1.14 -2.51 0.00 0.00 177.63 173.98 2cue s GLN 74 N -0.88 1.64 0.14 -0.14 2.00 -1.26 -5.01 119.66 116.15 2cue s GLN 74 Ca 0.56 -1.31 -0.27 0.00 -2.00 0.00 0.00 55.36 52.35 2cue s GLN 74 Cb -0.80 -2.76 -0.02 0.00 0.80 0.00 0.00 33.01 30.23 2cue s GLN 74 CO 0.50 -0.72 1.60 0.77 -0.50 0.00 0.00 175.29 176.94 2cue h SER 75 N 7.84 -1.13 -4.03 6.67 0.02 -1.99 -3.42 113.55 117.51 2cue h SER 75 Ca -0.14 0.16 -0.54 0.00 -0.84 0.00 0.00 61.79 60.44 2cue h SER 75 Cb 1.04 0.48 0.11 0.00 0.14 0.00 0.00 62.40 64.17 2cue h SER 75 CO 0.46 -0.38 0.57 -0.83 -1.14 0.00 0.00 176.83 175.51 2cue s GLY 76 N -2.64 2.85 -0.69 -3.77 0.00 -1.26 -4.89 107.32 96.92 2cue s GLY 76 Ca -0.15 1.20 -0.26 0.00 0.00 0.00 0.00 44.72 45.51 2cue s GLY 76 CO 0.66 1.71 1.88 2.56 0.00 0.00 0.00 173.10 179.90 2cue s PRO 77 N -2.82 2.61 -1.11 2.90 0.04 -1.26 -4.90 135.00 130.46 2cue s PRO 77 Ca 0.68 0.37 -0.23 0.00 0.04 0.00 0.00 61.00 61.87 2cue s PRO 77 Cb -0.37 -4.56 -0.07 0.00 0.04 0.00 0.00 34.50 29.54 2cue s PRO 77 CO 0.44 -2.90 1.93 -1.12 0.04 0.00 0.00 177.00 175.38 2cue s SER 78 N 8.08 5.12 0.15 6.66 0.01 -1.26 -4.92 113.70 127.55 2cue s SER 78 Ca 0.68 -1.41 0.07 0.00 1.31 0.00 0.00 55.95 56.60 2cue s SER 78 Cb -0.11 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 2cue s SER 78 CO 0.15 -2.92 -0.00 -0.55 0.41 0.00 0.00 173.24 170.32 2cue s SER 79 N 6.85 4.83 0.00 2.44 0.15 -1.26 -5.24 113.70 121.47 2cue s SER 79 Ca 0.68 -0.34 0.00 0.00 0.70 0.00 0.00 55.95 56.99 2cue s SER 79 Cb -0.02 -1.06 0.00 0.00 -1.71 0.00 0.00 66.02 63.23 2cue s SER 79 CO 0.09 0.11 0.00 0.61 1.20 0.00 0.00 173.24 175.25