#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 -0.39 -0.92 1.61 1.04 -1.26 -4.97 113.70 108.81 2cue s SER 2 Ca 0.00 -0.29 -0.05 0.00 0.48 0.00 0.00 55.95 56.09 2cue s SER 2 Cb 0.00 0.63 0.01 0.00 0.10 0.00 0.00 66.02 66.75 2cue s SER 2 CO 0.00 -1.10 0.79 -0.24 0.98 0.00 0.00 173.24 173.68 2cue n SER 3 N -0.41 -4.37 0.00 7.02 2.88 -1.26 -4.84 113.62 112.65 2cue n SER 3 Ca -0.10 -0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.05 2cue n SER 3 Cb 0.62 -3.65 0.00 0.00 -0.75 0.00 0.00 64.21 60.43 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 -1.45 0.21 2.70 0.46 0.00 -1.26 -5.12 105.19 100.73 2cue n GLY 4 Ca -0.04 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.67 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 3.50 0.15 1.61 0.01 -1.26 -4.99 113.70 112.72 2cue s SER 5 Ca 0.00 -3.16 -0.26 0.00 1.31 0.00 0.00 55.95 53.83 2cue s SER 5 Cb 0.00 -1.11 0.00 0.00 0.21 0.00 0.00 66.02 65.13 2cue s SER 5 CO 0.00 -0.18 1.58 0.28 0.41 0.00 0.00 173.24 175.33 2cue h SER 6 N 6.00 -1.30 -4.45 2.44 0.02 -2.03 -3.48 113.55 110.75 2cue h SER 6 Ca 0.11 0.20 0.00 0.00 -0.84 0.00 0.00 61.79 61.26 2cue h SER 6 Cb 0.86 0.57 0.00 0.00 0.14 0.00 0.00 62.40 63.97 2cue h SER 6 CO 0.54 -0.37 0.00 0.61 -1.14 0.00 0.00 176.83 176.47 2cue n GLY 7 N -1.42 0.74 3.58 -3.77 0.00 -1.26 -4.76 105.19 98.29 2cue n GLY 7 Ca -0.01 -1.60 -0.24 0.00 0.00 0.00 0.00 46.02 44.17 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 -4.09 2.12 -0.08 1.61 -1.52 -1.26 -4.76 119.66 111.68 2cue s GLN 8 Ca 0.00 -0.85 -0.01 0.00 -1.95 0.00 0.00 55.36 52.55 2cue s GLN 8 Cb 0.00 -5.15 0.01 0.00 -0.22 0.00 0.00 33.01 27.66 2cue s GLN 8 CO 0.00 -4.35 2.21 0.54 -0.25 0.00 0.00 175.29 173.44 2cue n ARG 9 N 8.32 1.32 -3.59 2.91 1.74 -1.26 -4.54 116.66 121.56 2cue n ARG 9 Ca 0.44 -0.50 -0.28 0.00 -0.77 0.00 0.00 57.85 56.74 2cue n ARG 9 Cb 0.47 -1.27 -0.11 0.00 -1.02 0.00 0.00 32.46 30.52 2cue n ARG 9 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2cue s ASN 10 N 1.58 2.80 -0.73 0.55 4.22 -1.26 -5.06 114.94 117.04 2cue s ASN 10 Ca 0.16 -3.25 -0.16 0.00 -2.14 0.00 0.00 52.86 47.47 2cue s ASN 10 Cb 0.10 -0.88 0.17 0.00 1.28 0.00 0.00 41.25 41.91 2cue s ASN 10 CO -0.01 -0.16 0.74 -0.13 -2.04 0.00 0.00 177.10 175.51 2cue s ARG 11 N -0.36 3.36 0.00 3.55 1.81 -1.26 -4.75 118.95 121.30 2cue s ARG 11 Ca 0.28 -2.00 0.00 0.00 -1.72 0.00 0.00 55.73 52.29 2cue s ARG 11 Cb -0.03 -4.43 0.00 0.00 -0.45 0.00 0.00 34.95 30.04 2cue s ARG 11 CO -0.16 -1.41 0.11 -2.37 -0.68 0.00 0.00 175.30 170.79 2cue n THR 12 N 4.74 0.00 0.39 0.02 5.66 -1.26 -4.60 114.28 119.23 2cue n THR 12 Ca 0.04 -0.50 0.13 0.00 -3.05 0.00 0.00 64.05 60.68 2cue n THR 12 Cb 0.45 1.00 0.52 0.00 -1.55 0.00 0.00 70.33 70.75 2cue n THR 12 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 2cue h SER 13 N 0.00 0.00 -4.96 1.09 4.64 -2.06 -3.45 113.55 108.81 2cue h SER 13 Ca 0.00 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.34 2cue h SER 13 Cb 0.00 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 61.98 2cue h SER 13 CO 0.00 0.00 0.26 -0.36 -0.87 0.00 0.00 176.83 175.86 2cue s PHE 14 N -3.36 -0.45 0.16 4.77 0.08 -1.26 -5.15 117.98 112.77 2cue s PHE 14 Ca 0.04 0.22 0.09 0.00 0.12 0.00 0.00 56.93 57.40 2cue s PHE 14 Cb 0.09 0.58 -0.04 0.00 -0.57 0.00 0.00 43.02 43.08 2cue s PHE 14 CO 0.43 -0.86 -0.13 -0.08 -0.10 0.00 0.00 175.22 174.48 2cue s THR 15 N -3.67 3.01 0.35 0.64 -1.32 -1.26 -4.97 115.64 108.42 2cue s THR 15 Ca 0.03 -1.66 0.15 0.00 -1.21 0.00 0.00 61.69 59.01 2cue s THR 15 Cb -0.02 -2.46 0.34 0.00 -1.51 0.00 0.00 72.50 68.86 2cue s THR 15 CO -0.09 -0.05 1.69 -0.61 -2.21 0.00 0.00 174.62 173.34 2cue h GLN 16 N 3.16 0.36 -0.67 7.08 -0.00 -1.97 0.87 115.11 123.94 2cue h GLN 16 Ca -0.47 -0.02 0.06 0.00 -0.00 0.00 0.00 58.65 58.21 2cue h GLN 16 Cb 1.20 -0.08 -0.04 0.00 0.00 0.00 0.00 27.48 28.55 2cue h GLN 16 CO 0.51 0.24 0.44 0.93 0.00 0.00 0.00 178.83 180.95 2cue h GLU 17 N 0.37 0.67 0.14 1.69 5.08 -2.00 -0.55 114.58 119.98 2cue h GLU 17 Ca 0.71 -0.04 -0.34 0.00 -1.00 0.00 0.00 59.36 58.68 2cue h GLU 17 Cb 1.63 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 30.72 2cue h GLU 17 CO -0.53 0.45 -1.79 1.96 -1.00 0.00 0.00 179.01 178.10 2cue h GLN 18 N 0.69 0.29 -0.56 2.33 4.20 0.23 -3.34 115.11 118.95 2cue h GLN 18 Ca 0.28 -0.50 0.03 0.00 0.06 0.00 0.00 58.65 58.52 2cue h GLN 18 Cb 0.24 0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 2cue h GLN 18 CO -0.09 1.18 0.37 0.82 -0.67 0.00 0.00 178.83 180.45 2cue h ILE 19 N 0.08 1.09 -0.66 2.54 2.04 -0.15 0.10 117.51 122.54 2cue h ILE 19 Ca -0.35 -0.23 -0.05 0.00 1.00 0.00 0.00 64.86 65.23 2cue h ILE 19 Cb 2.06 0.35 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 2cue h ILE 19 CO 0.14 0.12 0.20 1.05 0.00 0.00 0.00 178.15 179.66 2cue h GLU 20 N 0.68 1.02 0.00 2.37 4.11 -1.24 0.12 114.58 121.63 2cue h GLU 20 Ca 0.22 -0.21 -0.17 0.00 0.07 0.00 0.00 59.36 59.27 2cue h GLU 20 Cb 0.05 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2cue h GLU 20 CO -0.06 0.88 -0.86 0.00 0.07 0.00 0.00 179.01 179.04 2cue h ALA 21 N 1.23 0.50 0.00 1.06 0.00 -1.44 -2.89 119.26 117.72 2cue h ALA 21 Ca 0.22 -0.76 -0.18 0.00 0.00 0.00 0.00 54.91 54.18 2cue h ALA 21 Cb 0.29 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2cue h ALA 21 CO -0.01 1.02 -0.87 -0.07 0.00 0.00 0.00 179.25 179.32 2cue h LEU 22 N 0.00 0.00 0.01 0.00 3.38 -0.49 -3.04 115.31 115.17 2cue h LEU 22 Ca -0.03 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 2cue h LEU 22 Cb 1.63 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.39 2cue h LEU 22 CO 0.10 0.87 -0.37 -0.33 0.09 0.00 0.00 178.44 178.80 2cue h GLU 23 N 0.00 0.23 -0.78 1.13 4.39 -0.83 -3.08 114.58 115.64 2cue h GLU 23 Ca -0.01 -0.26 0.06 0.00 0.34 0.00 0.00 59.36 59.49 2cue h GLU 23 Cb 1.55 0.08 -0.05 0.00 -0.10 0.00 0.00 28.75 30.23 2cue h GLU 23 CO 0.11 1.00 0.51 -0.22 -1.16 0.00 0.00 179.01 179.25 2cue h LYS 24 N -0.43 0.82 -0.00 2.33 3.64 -1.60 -0.19 116.57 121.13 2cue h LYS 24 Ca -0.05 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.20 2cue h LYS 24 Cb 1.13 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 32.76 2cue h LYS 24 CO 0.07 0.54 -0.40 1.49 -2.27 0.00 0.00 179.45 178.88 2cue h GLU 25 N 0.85 0.01 0.09 1.90 4.57 -1.59 -2.98 114.58 117.42 2cue h GLU 25 Ca 0.33 -0.00 -0.28 0.00 -1.18 0.00 0.00 59.36 58.23 2cue h GLU 25 Cb 0.23 -0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.84 2cue h GLU 25 CO -0.12 0.41 -1.17 0.35 -1.18 0.00 0.00 179.01 177.30 2cue h PHE 26 N 0.01 0.84 -0.37 0.92 3.04 -1.00 -2.18 116.94 118.20 2cue h PHE 26 Ca -0.00 -0.52 0.11 0.00 3.98 0.00 0.00 57.97 61.53 2cue h PHE 26 Cb 0.72 -0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.15 2cue h PHE 26 CO 0.00 1.37 0.29 0.93 -2.02 0.00 0.00 178.31 178.88 2cue h GLU 27 N 0.24 0.00 0.05 1.11 5.08 -1.00 -2.49 114.58 117.57 2cue h GLU 27 Ca -0.15 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.89 2cue h GLU 27 Cb 1.84 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.06 2cue h GLU 27 CO 0.22 0.00 -1.73 -2.13 -1.00 0.00 0.00 179.01 174.37 2cue n ARG 28 N -4.22 0.65 -3.70 2.33 3.00 -1.20 -4.93 116.66 108.60 2cue n ARG 28 Ca 0.06 0.40 -0.17 0.00 -0.00 0.00 0.00 57.85 58.14 2cue n ARG 28 Cb 0.48 -1.70 -0.16 0.00 0.00 0.00 0.00 32.46 31.07 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 -2.46 -0.14 -0.73 5.15 -1.32 -0.82 -5.01 115.64 110.31 2cue s THR 29 Ca -0.27 0.34 0.24 0.00 -1.21 0.00 0.00 61.69 60.78 2cue s THR 29 Cb 0.07 -0.19 0.24 0.00 -1.51 0.00 0.00 72.50 71.10 2cue s THR 29 CO 0.66 0.14 1.72 1.41 -2.21 0.00 0.00 174.62 176.34 2cue n HIS 30 N 4.96 0.58 -3.55 9.09 8.25 -1.22 -3.95 115.22 129.38 2cue n HIS 30 Ca -0.11 0.20 -0.28 0.00 -0.26 0.00 0.00 57.72 57.27 2cue n HIS 30 Cb 0.50 -0.82 -0.11 0.00 1.12 0.00 0.00 29.99 30.68 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 -3.15 1.67 -0.36 4.41 2.02 -1.26 -4.97 117.35 115.71 2cue s TYR 31 Ca 0.08 -2.46 -0.28 0.00 -0.37 0.00 0.00 57.07 54.03 2cue s TYR 31 Cb 0.12 -1.41 -0.01 0.00 -0.40 0.00 0.00 41.96 40.25 2cue s TYR 31 CO 0.45 -0.76 1.71 -1.25 -1.57 0.00 0.00 175.55 174.12 2cue s PRO 32 N -0.09 3.37 0.73 -1.71 0.04 -1.26 -5.00 135.00 131.08 2cue s PRO 32 Ca 0.27 1.28 -0.12 0.00 0.04 0.00 0.00 61.00 62.47 2cue s PRO 32 Cb -0.05 -4.16 0.19 0.00 0.04 0.00 0.00 34.50 30.52 2cue s PRO 32 CO -0.14 -1.82 0.45 -0.25 0.04 0.00 0.00 177.00 175.28 2cue n ASP 33 N 10.02 -2.96 -0.22 6.66 8.00 -1.26 -4.16 116.55 132.63 2cue n ASP 33 Ca 0.21 -0.48 0.01 0.00 0.71 0.00 0.00 54.79 55.24 2cue n ASP 33 Cb 0.47 -0.50 0.25 0.00 -0.02 0.00 0.00 41.12 41.32 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 -2.77 1.19 0.00 2.53 3.04 -1.98 0.15 116.25 118.41 2cue h VAL 34 Ca -0.20 -0.35 -0.00 0.00 -1.01 0.00 0.00 66.70 65.14 2cue h VAL 34 Cb 0.67 0.08 -0.00 0.00 -2.01 0.00 0.00 31.29 30.03 2cue h VAL 34 CO 0.12 0.19 -0.02 -0.26 -1.01 0.00 0.00 177.57 176.59 2cue h PHE 35 N 1.02 0.00 0.00 3.17 0.04 -2.00 -1.53 116.94 117.64 2cue h PHE 35 Ca 0.28 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.81 2cue h PHE 35 Cb -0.10 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.01 2cue h PHE 35 CO -0.00 0.02 -1.48 0.00 -0.60 0.00 0.00 178.31 176.25 2cue n ALA 36 N -2.11 0.85 -0.23 2.45 0.00 -0.24 -3.63 120.51 117.60 2cue n ALA 36 Ca -0.01 -0.68 0.08 0.00 0.00 0.00 0.00 53.44 52.84 2cue n ALA 36 Cb 0.23 -0.22 0.35 0.00 0.00 0.00 0.00 19.45 19.81 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 0.73 0.46 0.00 3.08 -0.78 -0.47 114.38 116.41 2cue h ARG 37 Ca -0.36 -0.04 -0.02 0.00 0.07 0.00 0.00 59.98 59.62 2cue h ARG 37 Cb 1.23 -0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2cue h ARG 37 CO -0.22 0.49 -0.22 0.93 -1.07 0.00 0.00 179.97 179.88 2cue h GLU 38 N 0.76 -0.60 -0.77 0.04 5.08 -1.47 0.25 114.58 117.86 2cue h GLU 38 Ca 0.37 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.88 2cue h GLU 38 Cb 0.43 0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.74 2cue h GLU 38 CO -0.14 -0.29 0.39 0.00 -1.00 0.00 0.00 179.01 177.97 2cue h ARG 39 N -0.95 0.61 -0.34 2.33 2.47 -1.55 -1.48 114.38 115.48 2cue h ARG 39 Ca -0.06 -0.04 -0.16 0.00 -1.26 0.00 0.00 59.98 58.46 2cue h ARG 39 Cb 0.58 -0.14 -0.01 0.00 -1.65 0.00 0.00 29.97 28.76 2cue h ARG 39 CO 0.10 0.41 -0.43 1.25 0.56 0.00 0.00 179.97 181.86 2cue h LEU 40 N 0.63 0.92 -1.32 3.04 5.85 -1.09 -2.69 115.31 120.67 2cue h LEU 40 Ca 0.39 -0.44 0.33 0.00 0.84 0.00 0.00 57.88 59.00 2cue h LEU 40 Cb 0.45 -0.26 -0.11 0.00 0.37 0.00 0.00 40.66 41.11 2cue h LEU 40 CO -0.30 1.22 0.71 0.00 -0.34 0.00 0.00 178.44 179.73 2cue h ALA 41 N 0.82 2.34 0.00 1.25 0.00 0.59 0.95 119.26 125.21 2cue h ALA 41 Ca 0.05 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2cue h ALA 41 Cb 1.01 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2cue h ALA 41 CO 0.10 -0.84 -0.98 0.00 0.00 0.00 0.00 179.25 177.53 2cue n ALA 42 N -2.46 2.96 0.16 0.00 0.00 -1.15 0.50 120.51 120.53 2cue n ALA 42 Ca 0.30 -0.32 0.04 0.00 0.00 0.00 0.00 53.44 53.46 2cue n ALA 42 Cb 1.06 -1.05 0.23 0.00 0.00 0.00 0.00 19.45 19.68 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 -3.30 116.57 117.03 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 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2cue h LYS 43 CO 0.00 0.47 0.00 0.44 -2.27 0.00 0.00 179.45 178.09 2cue n ILE 44 N -3.48 0.00 -2.98 2.00 -5.35 -0.46 -5.02 119.36 104.08 2cue n ILE 44 Ca 0.00 -0.36 -0.11 0.00 -0.27 0.00 0.00 62.75 62.01 2cue n ILE 44 Cb 0.60 1.19 0.04 0.00 -1.74 0.00 0.00 39.64 39.73 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 -0.22 -3.82 -4.39 7.28 2.03 -0.25 -4.89 116.55 112.29 2cue n ASP 45 Ca 0.00 -0.26 -0.30 0.00 0.52 0.00 0.00 54.79 54.75 2cue n ASP 45 Cb 0.05 -2.67 -0.14 0.00 -0.72 0.00 0.00 41.12 37.65 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 -4.02 2.32 0.20 -2.67 1.43 0.18 -4.99 118.68 111.14 2cue s LEU 46 Ca 0.24 -0.63 -0.30 0.00 -1.03 0.00 0.00 54.13 52.41 2cue s LEU 46 Cb -0.11 -1.31 -0.09 0.00 0.03 0.00 0.00 46.19 44.72 2cue s LEU 46 CO 0.35 0.22 1.30 -2.16 0.23 0.00 0.00 176.35 176.29 2cue s PRO 47 N -1.64 4.40 0.65 1.29 0.04 -1.26 -4.25 135.00 134.23 2cue s PRO 47 Ca 0.13 2.04 0.17 0.00 0.04 0.00 0.00 61.00 63.38 2cue s PRO 47 Cb -0.10 -3.19 0.85 0.00 0.04 0.00 0.00 34.50 32.09 2cue s PRO 47 CO 0.05 -0.23 1.46 1.49 0.04 0.00 0.00 177.00 179.81 2cue h GLU 48 N 5.26 0.00 0.08 4.56 4.81 -1.93 0.95 114.58 128.32 2cue h GLU 48 Ca -0.45 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.51 2cue h GLU 48 Cb 1.21 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.61 2cue h GLU 48 CO 0.76 0.00 -1.15 0.00 -0.73 0.00 0.00 179.01 177.89 2cue h ALA 49 N 0.69 0.11 0.53 2.92 0.00 -1.96 -3.27 119.26 118.28 2cue h ALA 49 Ca 0.06 -0.76 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 2cue h ALA 49 Cb 1.50 0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.35 2cue h ALA 49 CO -0.00 0.75 -0.25 0.00 0.00 0.00 0.00 179.25 179.75 2cue h ARG 50 N 0.26 -0.68 -0.86 0.00 2.47 0.60 -3.05 114.38 113.11 2cue h ARG 50 Ca -0.15 0.05 0.21 0.00 -1.26 0.00 0.00 59.98 58.83 2cue h ARG 50 Cb 1.82 0.15 -0.15 0.00 -1.65 0.00 0.00 29.97 30.14 2cue h ARG 50 CO 0.21 -0.40 0.02 0.82 0.56 0.00 0.00 179.97 181.18 2cue h ILE 51 N -0.84 0.20 -0.69 2.04 2.04 -1.65 0.31 117.51 118.92 2cue h ILE 51 Ca -0.07 -0.03 0.15 0.00 1.00 0.00 0.00 64.86 65.91 2cue h ILE 51 Cb 0.60 0.12 -0.11 0.00 -0.74 0.00 0.00 36.82 36.69 2cue h ILE 51 CO 0.12 0.01 0.09 1.56 0.00 0.00 0.00 178.15 179.94 2cue h GLN 52 N 0.07 0.19 0.56 2.37 4.20 -1.58 0.65 115.11 121.57 2cue h GLN 52 Ca 0.49 -0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.17 2cue h GLN 52 Cb 0.93 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.68 2cue h GLN 52 CO -0.78 0.12 -0.27 0.28 -0.67 0.00 0.00 178.83 177.52 2cue h VAL 53 N 0.19 0.00 -0.95 -0.54 2.07 -0.41 -1.05 116.25 115.56 2cue h VAL 53 Ca 0.38 -0.26 0.30 0.00 0.82 0.00 0.00 66.70 67.93 2cue h VAL 53 Cb 0.64 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.26 2cue h VAL 53 CO -0.53 0.00 0.34 -0.25 0.02 0.00 0.00 177.57 177.14 2cue h TRP 54 N -1.01 0.51 -0.21 1.57 7.01 -1.02 0.91 115.95 123.72 2cue h TRP 54 Ca -0.08 0.05 -0.14 0.00 2.11 0.00 0.00 58.89 60.83 2cue h TRP 54 Cb 0.57 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.55 2cue h TRP 54 CO 0.03 -0.29 -0.47 0.74 -2.79 0.00 0.00 178.44 175.66 2cue h PHE 55 N 0.17 0.66 -0.49 2.65 -1.00 -0.86 -2.77 116.94 115.29 2cue h PHE 55 Ca 0.66 -0.21 -0.01 0.00 2.81 0.00 0.00 57.97 61.22 2cue h PHE 55 Cb 1.48 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 40.88 2cue h PHE 55 CO -0.20 0.91 0.26 1.03 -1.61 0.00 0.00 178.31 178.71 2cue h SER 56 N 0.43 0.61 -0.18 2.17 0.87 0.22 -2.43 113.55 115.25 2cue h SER 56 Ca 0.02 -0.10 -0.07 0.00 -1.23 0.00 0.00 61.79 60.42 2cue h SER 56 Cb 0.99 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 2cue h SER 56 CO 0.09 0.53 -0.10 0.78 -0.53 0.00 0.00 176.83 177.61 2cue h ASN 57 N 0.64 0.51 -0.03 6.23 2.35 -1.13 -3.02 115.58 121.14 2cue h ASN 57 Ca 0.17 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.79 2cue h ASN 57 Cb 0.06 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 2cue h ASN 57 CO -0.03 0.65 0.02 0.03 -1.65 0.00 0.00 177.43 176.45 2cue h ARG 58 N 0.49 0.04 -0.92 0.81 2.47 -1.16 -2.58 114.38 113.54 2cue h ARG 58 Ca 0.09 -0.00 0.25 0.00 -1.26 0.00 0.00 59.98 59.06 2cue h ARG 58 Cb 0.47 -0.01 -0.14 0.00 -1.65 0.00 0.00 29.97 28.64 2cue h ARG 58 CO 0.03 0.06 0.37 0.00 0.56 0.00 0.00 179.97 180.98 2cue h ARG 59 N 0.01 0.30 -0.06 0.04 3.08 -1.32 0.92 114.38 117.34 2cue h ARG 59 Ca 0.01 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 2cue h ARG 59 Cb 0.03 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 2cue h ARG 59 CO -0.00 0.20 -0.39 0.00 -1.07 0.00 0.00 179.97 178.70 2cue h ALA 60 N 1.77 1.24 0.00 0.04 0.00 -1.51 0.22 119.26 121.02 2cue h ALA 60 Ca 0.60 -0.38 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 2cue h ALA 60 Cb 1.22 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.92 2cue h ALA 60 CO -0.60 0.54 -0.63 -0.22 0.00 0.00 0.00 179.25 178.33 2cue h LYS 61 N 0.11 0.00 0.08 0.00 3.64 0.93 -2.76 116.57 118.57 2cue h LYS 61 Ca 0.01 0.00 -0.24 0.00 -1.27 0.00 0.00 60.65 59.15 2cue h LYS 61 Cb 0.74 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 2cue h LYS 61 CO 0.06 0.49 -1.26 2.35 -2.27 0.00 0.00 179.45 178.82 2cue h TRP 62 N 0.00 0.32 -0.54 1.91 7.01 0.28 -3.06 115.95 121.87 2cue h TRP 62 Ca -0.02 -0.23 -0.04 0.00 2.11 0.00 0.00 58.89 60.70 2cue h TRP 62 Cb 1.42 -0.01 -0.02 0.00 -2.10 0.00 0.00 29.16 28.44 2cue h TRP 62 CO 0.00 1.49 0.18 0.00 -2.79 0.00 0.00 178.44 177.32 2cue h ARG 63 N -0.49 0.83 -0.49 2.65 3.08 -0.70 0.13 114.38 119.40 2cue h ARG 63 Ca -0.28 -0.17 -0.06 0.00 0.07 0.00 0.00 59.98 59.53 2cue h ARG 63 Cb 1.61 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.52 2cue h ARG 63 CO 0.01 0.75 0.06 0.07 -1.07 0.00 0.00 179.97 179.79 2cue h ARG 64 N 0.74 0.83 -0.08 0.04 0.11 -1.65 -3.16 114.38 111.21 2cue h ARG 64 Ca 0.17 -0.23 -0.02 0.00 0.10 0.00 0.00 59.98 60.00 2cue h ARG 64 Cb 0.26 -0.09 -0.00 0.00 1.11 0.00 0.00 29.97 31.25 2cue h ARG 64 CO -0.01 0.84 -0.03 0.93 0.10 0.00 0.00 179.97 181.80 2cue h GLU 65 N 0.70 0.16 -1.37 0.08 5.08 -1.41 -2.99 114.58 114.83 2cue h GLU 65 Ca 0.15 -0.07 0.43 0.00 -1.00 0.00 0.00 59.36 58.87 2cue h GLU 65 Cb 0.42 -0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.55 2cue h GLU 65 CO 0.01 0.51 0.91 1.49 -1.00 0.00 0.00 179.01 180.93 2cue h GLU 66 N -0.20 0.09 0.25 2.33 4.22 -0.71 0.10 114.58 120.67 2cue h GLU 66 Ca 0.02 -0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.44 2cue h GLU 66 Cb 0.46 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.69 2cue h GLU 66 CO 0.01 0.06 -0.12 -0.22 -2.18 0.00 0.00 179.01 176.56 2cue h LYS 67 N 0.10 -0.32 -1.24 1.92 3.11 -1.50 -2.89 116.57 115.75 2cue h LYS 67 Ca 0.80 0.02 0.42 0.00 -2.81 0.00 0.00 60.65 59.08 2cue h LYS 67 Cb 2.61 0.07 -0.12 0.00 -1.00 0.00 0.00 32.23 33.79 2cue h LYS 67 CO -0.33 -0.09 0.80 1.28 -2.81 0.00 0.00 179.45 178.31 2cue n LEU 68 N -4.99 0.18 0.04 5.20 4.77 -0.01 0.21 117.00 122.39 2cue n LEU 68 Ca -0.06 1.20 -0.20 0.00 -0.03 0.00 0.00 56.01 56.93 2cue n LEU 68 Cb 0.19 -0.59 -0.12 0.00 -2.33 0.00 0.00 43.42 40.57 2cue n LEU 68 CO 0.16 -1.30 0.11 0.03 -1.33 0.00 0.00 177.39 175.05 2cue h ARG 69 N 0.00 0.48 -0.69 3.23 3.08 -1.50 -3.23 114.38 115.75 2cue h ARG 69 Ca 0.78 -0.60 0.19 0.00 0.07 0.00 0.00 59.98 60.42 2cue h ARG 69 Cb 2.54 0.19 -0.03 0.00 0.08 0.00 0.00 29.97 32.75 2cue h ARG 69 CO -0.39 1.23 0.49 -0.97 -1.07 0.00 0.00 179.97 179.26 2cue h ASN 70 N 0.01 0.05 0.38 7.04 -0.73 0.27 0.27 115.58 122.86 2cue h ASN 70 Ca -0.13 0.00 -0.12 0.00 1.87 0.00 0.00 56.30 57.93 2cue h ASN 70 Cb 1.58 -0.01 -0.01 0.00 0.27 0.00 0.00 38.32 40.15 2cue h ASN 70 CO 0.17 0.02 -0.50 1.56 -0.37 0.00 0.00 177.43 178.31 2cue h GLN 71 N 0.05 0.14 -0.45 6.67 1.08 -1.39 -2.94 115.11 118.27 2cue h GLN 71 Ca 0.33 -0.08 0.04 0.00 -1.45 0.00 0.00 58.65 57.49 2cue h GLN 71 Cb 1.24 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.65 2cue h GLN 71 CO -0.02 0.61 0.30 -0.09 -0.95 0.00 0.00 178.83 178.69 2cue h ARG 72 N 0.11 0.42 -6.44 1.46 1.12 -0.54 -3.39 114.38 107.13 2cue h ARG 72 Ca 0.00 -0.03 -0.62 0.00 -1.11 0.00 0.00 59.98 58.23 2cue h ARG 72 Cb 0.93 -0.10 0.09 0.00 -0.01 0.00 0.00 29.97 30.88 2cue h ARG 72 CO 0.07 0.28 0.32 -2.13 -3.11 0.00 0.00 179.97 175.40 2cue n ARG 73 N -4.48 1.44 -4.04 0.20 3.00 -1.11 -1.26 116.66 110.41 2cue n ARG 73 Ca 0.05 0.51 -0.33 0.00 -0.00 0.00 0.00 57.85 58.09 2cue n ARG 73 Cb 0.20 -2.01 -0.07 0.00 0.00 0.00 0.00 32.46 30.57 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 1.51 -0.82 -2.15 -0.14 6.02 -1.26 -4.89 117.38 115.66 2cue n GLN 74 Ca 0.12 0.10 -0.20 0.00 -0.01 0.00 0.00 57.00 57.02 2cue n GLN 74 Cb 0.28 -3.64 0.11 0.00 1.02 0.00 0.00 30.24 28.02 2cue n GLN 74 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 2cue n SER 75 N -2.06 0.96 -4.80 1.08 3.41 -0.39 -5.08 113.62 106.74 2cue n SER 75 Ca -0.02 -1.87 -0.32 0.00 -0.26 0.00 0.00 58.87 56.41 2cue n SER 75 Cb 0.44 -0.60 0.04 0.00 -0.26 0.00 0.00 64.21 63.84 2cue n SER 75 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2cue s GLY 76 N -4.81 1.85 0.25 5.00 0.00 -1.26 -4.97 107.32 103.38 2cue s GLY 76 Ca 0.57 0.24 0.02 0.00 0.00 0.00 0.00 44.72 45.55 2cue s GLY 76 CO 0.38 0.56 1.62 -0.56 0.00 0.00 0.00 173.10 175.11 2cue h PRO 77 N -0.35 0.41 -5.68 2.90 0.13 -2.00 -3.43 132.00 123.98 2cue h PRO 77 Ca -0.45 -0.22 -0.59 0.00 -0.87 0.00 0.00 66.00 63.88 2cue h PRO 77 Cb 1.22 0.01 -0.03 0.00 0.13 0.00 0.00 31.00 32.33 2cue h PRO 77 CO 0.56 0.78 1.54 -1.13 -0.23 0.00 0.00 178.00 179.52 2cue n SER 78 N -4.01 1.72 -3.90 1.44 3.41 -1.26 -4.90 113.62 106.13 2cue n SER 78 Ca -0.02 0.15 -0.30 0.00 -0.26 0.00 0.00 58.87 58.44 2cue n SER 78 Cb 0.52 -1.25 -0.15 0.00 -0.26 0.00 0.00 64.21 63.06 2cue n SER 78 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 2cue s SER 79 N 8.81 4.00 0.00 4.04 0.01 -1.26 -5.20 113.70 124.10 2cue s SER 79 Ca 1.13 -1.43 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2cue s SER 79 Cb -0.81 -1.16 0.00 0.00 0.21 0.00 0.00 66.02 64.26 2cue s SER 79 CO 0.44 -0.30 0.00 0.61 0.41 0.00 0.00 173.24 174.40