#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4o n SER 2 N 0.00 -8.28 0.10 1.61 7.64 -1.26 -5.05 113.62 108.37 1x4o n SER 2 Ca 0.00 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1x4o n SER 2 Cb 0.00 -4.17 0.00 0.00 -1.01 0.00 0.00 64.21 59.03 1x4o n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x4o n SER 3 N 0.51 0.19 0.00 6.43 7.64 -1.26 -5.15 113.62 121.98 1x4o n SER 3 Ca 0.00 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.21 1x4o n SER 3 Cb 0.00 0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 1x4o n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4o n GLY 4 N 2.11 0.50 3.20 0.23 0.00 -1.26 -5.02 105.19 104.94 1x4o n GLY 4 Ca 0.00 -1.48 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 1x4o n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4o s SER 5 N -4.00 0.23 0.06 1.61 0.15 -1.26 -5.17 113.70 105.32 1x4o s SER 5 Ca 0.00 -0.90 -0.27 0.00 0.70 0.00 0.00 55.95 55.48 1x4o s SER 5 Cb 0.00 0.32 0.07 0.00 -1.71 0.00 0.00 66.02 64.70 1x4o s SER 5 CO 0.00 -0.73 0.65 -0.44 1.20 0.00 0.00 173.24 173.92 1x4o s SER 6 N -2.94 -0.60 0.00 5.45 0.01 -1.26 -5.16 113.70 109.21 1x4o s SER 6 Ca 0.12 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1x4o s SER 6 Cb 0.06 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.85 1x4o s SER 6 CO -0.06 -0.79 0.00 0.61 0.41 0.00 0.00 173.24 173.41 1x4o n GLY 7 N 0.19 3.22 3.57 3.44 0.00 -1.26 -5.04 105.19 109.31 1x4o n GLY 7 Ca -0.17 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 1x4o n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x4o s LYS 8 N 3.52 1.85 -0.24 1.61 1.02 -1.26 -4.88 119.74 121.36 1x4o s LYS 8 Ca 0.00 -0.14 -0.08 0.00 0.02 0.00 0.00 55.97 55.77 1x4o s LYS 8 Cb 0.00 -4.96 -0.03 0.00 -0.52 0.00 0.00 37.83 32.32 1x4o s LYS 8 CO 0.00 -4.38 0.08 0.08 -0.92 0.00 0.00 175.35 170.21 1x4o s VAL 9 N 13.69 4.53 0.32 3.17 1.01 -1.26 -5.09 120.40 136.77 1x4o s VAL 9 Ca 0.81 -0.10 0.10 0.00 0.00 0.00 0.00 61.98 62.79 1x4o s VAL 9 Cb -0.08 -3.11 -0.06 0.00 0.00 0.00 0.00 36.38 33.13 1x4o s VAL 9 CO 0.09 0.35 -0.12 -0.94 0.00 0.00 0.00 175.10 174.48 1x4o s SER 10 N 1.40 3.75 0.73 3.32 1.04 -1.26 -5.05 113.70 117.62 1x4o s SER 10 Ca 0.06 -1.11 -0.11 0.00 0.48 0.00 0.00 55.95 55.27 1x4o s SER 10 Cb -0.15 -0.36 0.03 0.00 0.10 0.00 0.00 66.02 65.64 1x4o s SER 10 CO 0.04 -0.12 1.07 -2.16 0.98 0.00 0.00 173.24 173.06 1x4o s PRO 11 N -3.59 2.66 0.96 4.02 0.04 -1.26 -4.34 135.00 133.49 1x4o s PRO 11 Ca 0.32 0.86 -0.14 0.00 0.04 0.00 0.00 61.00 62.08 1x4o s PRO 11 Cb -0.01 -1.97 0.17 0.00 0.04 0.00 0.00 34.50 32.73 1x4o s PRO 11 CO 0.16 -1.27 1.16 -1.25 0.04 0.00 0.00 177.00 175.85 1x4o s PRO 12 N -5.08 0.76 -0.67 0.56 0.04 -1.26 -4.90 135.00 124.45 1x4o s PRO 12 Ca 0.59 0.14 0.02 0.00 0.04 0.00 0.00 61.00 61.79 1x4o s PRO 12 Cb -0.14 -1.81 0.37 0.00 0.04 0.00 0.00 34.50 32.96 1x4o s PRO 12 CO 0.55 -2.42 1.44 0.39 0.04 0.00 0.00 177.00 176.99 1x4o n GLU 13 N -3.89 3.54 -3.21 4.56 1.02 -1.26 -4.89 120.64 116.51 1x4o n GLU 13 Ca 0.09 -4.35 0.04 0.00 -0.02 0.00 0.00 57.16 52.92 1x4o n GLU 13 Cb 0.59 -2.29 -0.02 0.00 -0.02 0.00 0.00 31.44 29.70 1x4o n GLU 13 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1x4o s ASP 14 N -2.52 -0.72 0.15 1.62 -1.08 -1.26 -5.05 116.67 107.82 1x4o s ASP 14 Ca 0.48 0.55 -0.21 0.00 -0.52 0.00 0.00 52.55 52.84 1x4o s ASP 14 Cb 0.35 1.64 0.03 0.00 -1.46 0.00 0.00 42.92 43.48 1x4o s ASP 14 CO -0.23 -0.13 1.65 -0.08 0.52 0.00 0.00 175.17 176.89 1x4o h GLU 15 N 7.90 -0.19 -1.25 4.34 4.81 -1.98 0.36 114.58 128.58 1x4o h GLU 15 Ca -0.16 0.01 0.36 0.00 -0.13 0.00 0.00 59.36 59.44 1x4o h GLU 15 Cb 1.16 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.51 1x4o h GLU 15 CO 0.03 -0.12 0.87 1.49 -0.73 0.00 0.00 179.01 180.55 1x4o h GLU 16 N -0.19 0.09 0.00 1.92 4.81 -1.99 0.72 114.58 119.93 1x4o h GLU 16 Ca 0.13 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1x4o h GLU 16 Cb 0.40 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1x4o h GLU 16 CO -0.35 0.06 -0.24 0.00 -0.73 0.00 0.00 179.01 177.75 1x4o h ALA 17 N 1.43 0.04 -1.37 2.92 0.00 -1.08 -1.41 119.26 119.77 1x4o h ALA 17 Ca 0.63 -0.45 0.40 0.00 0.00 0.00 0.00 54.91 55.49 1x4o h ALA 17 Cb 2.29 0.16 -0.05 0.00 0.00 0.00 0.00 17.79 20.19 1x4o h ALA 17 CO -0.10 0.16 1.15 -0.22 0.00 0.00 0.00 179.25 180.24 1x4o h LYS 18 N -1.00 0.00 0.00 0.00 3.64 0.17 1.22 116.57 120.60 1x4o h LYS 18 Ca -0.05 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.16 1x4o h LYS 18 Cb 0.68 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.48 1x4o h LYS 18 CO -0.03 0.00 -1.02 -0.97 -2.27 0.00 0.00 179.45 175.16 1x4o h ASN 19 N 0.00 0.00 -0.11 4.20 -0.73 -1.08 -3.22 115.58 114.64 1x4o h ASN 19 Ca 0.65 -0.42 0.04 0.00 1.87 0.00 0.00 56.30 58.44 1x4o h ASN 19 Cb 2.95 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 41.49 1x4o h ASN 19 CO -0.01 1.30 -0.27 -0.07 -0.37 0.00 0.00 177.43 178.02 1x4o h LEU 20 N -1.00 -0.83 -0.02 0.34 3.38 0.11 0.38 115.31 117.66 1x4o h LEU 20 Ca -0.26 0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.85 1x4o h LEU 20 Cb 1.11 0.36 -0.02 0.00 0.09 0.00 0.00 40.66 42.19 1x4o h LEU 20 CO -0.15 -0.32 -0.20 0.00 0.09 0.00 0.00 178.44 177.86 1x4o h ALA 21 N 0.54 -0.63 -0.26 1.53 0.00 0.10 0.54 119.26 121.07 1x4o h ALA 21 Ca 0.09 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1x4o h ALA 21 Cb 0.49 0.70 -0.05 0.00 0.00 0.00 0.00 17.79 18.93 1x4o h ALA 21 CO -0.31 -0.69 -0.34 1.49 0.00 0.00 0.00 179.25 179.39 1x4o h GLU 22 N -0.23 -0.23 -0.26 0.00 4.81 -1.50 0.26 114.58 117.43 1x4o h GLU 22 Ca 0.01 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 1x4o h GLU 22 Cb 0.25 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.65 1x4o h GLU 22 CO -0.14 -0.15 -0.20 0.87 -0.73 0.00 0.00 179.01 178.65 1x4o h LYS 23 N -0.24 -0.06 -0.97 1.92 1.57 0.00 1.23 116.57 120.02 1x4o h LYS 23 Ca 0.05 0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.92 1x4o h LYS 23 Cb 0.36 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 32.57 1x4o h LYS 23 CO -0.37 -0.04 -0.59 1.25 -0.57 0.00 0.00 179.45 179.13 1x4o h LEU 24 N -0.06 -2.15 0.10 2.94 7.12 0.63 1.07 115.31 124.96 1x4o h LEU 24 Ca 0.04 0.33 0.01 0.00 0.13 0.00 0.00 57.88 58.39 1x4o h LEU 24 Cb 0.18 0.95 -0.03 0.00 -0.53 0.00 0.00 40.66 41.22 1x4o h LEU 24 CO -0.28 -0.24 -0.38 0.00 -0.13 0.00 0.00 178.44 177.41 1x4o h ALA 25 N 0.48 -0.88 -0.90 1.25 0.00 0.12 1.06 119.26 120.39 1x4o h ALA 25 Ca 0.16 -0.08 0.24 0.00 0.00 0.00 0.00 54.91 55.23 1x4o h ALA 25 Cb 0.42 0.76 -0.15 0.00 0.00 0.00 0.00 17.79 18.82 1x4o h ALA 25 CO -0.92 -0.97 0.15 -0.09 0.00 0.00 0.00 179.25 177.42 1x4o h ARG 26 N -0.55 0.12 0.65 0.00 2.43 0.33 1.48 114.38 118.84 1x4o h ARG 26 Ca -0.01 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 1x4o h ARG 26 Cb 0.55 -0.03 0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1x4o h ARG 26 CO -0.19 0.08 -0.31 0.35 -1.51 0.00 0.00 179.97 178.38 1x4o h PHE 27 N 0.12 -0.81 -0.95 2.20 3.57 0.23 -1.95 116.94 119.35 1x4o h PHE 27 Ca 0.56 -0.02 0.20 0.00 3.53 0.00 0.00 57.97 62.24 1x4o h PHE 27 Cb 1.14 0.27 -0.08 0.00 2.79 0.00 0.00 35.95 40.07 1x4o h PHE 27 CO -0.34 -0.51 0.61 0.82 -2.23 0.00 0.00 178.31 176.66 1x4o h ILE 28 N -1.17 0.68 0.00 1.41 2.04 0.24 1.44 117.51 122.16 1x4o h ILE 28 Ca -0.09 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 1x4o h ILE 28 Cb 0.67 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.84 1x4o h ILE 28 CO 0.15 0.10 -0.13 0.00 0.00 0.00 0.00 178.15 178.26 1x4o h ALA 29 N 1.62 1.25 0.00 1.87 0.00 0.21 0.65 119.26 124.86 1x4o h ALA 29 Ca 0.52 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.30 1x4o h ALA 29 Cb 1.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1x4o h ALA 29 CO -0.25 0.17 0.00 -3.47 0.00 0.00 0.00 179.25 175.69 1x4o n ASP 30 N -3.61 0.46 0.00 0.00 2.03 0.49 -4.73 116.55 111.19 1x4o n ASP 30 Ca -0.02 0.54 0.00 0.00 0.52 0.00 0.00 54.79 55.84 1x4o n ASP 30 Cb 0.26 -0.67 0.00 0.00 -0.72 0.00 0.00 41.12 39.99 1x4o n ASP 30 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1x4o n GLY 31 N 1.36 0.85 0.00 0.27 0.00 0.21 -5.09 105.19 102.79 1x4o n GLY 31 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1x4o n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x4o n GLY 32 N 5.00 1.15 0.00 -0.02 0.00 -1.17 -4.95 105.19 105.20 1x4o n GLY 32 Ca 0.00 0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.23 1x4o n GLY 32 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4o n PRO 33 N 0.00 0.61 -0.10 1.61 -0.04 -1.26 -2.95 135.00 132.87 1x4o n PRO 33 Ca 0.00 0.02 -0.14 0.00 -0.04 0.00 0.00 63.50 63.35 1x4o n PRO 33 Cb 0.00 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 31.91 1x4o n PRO 33 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1x4o n GLU 34 N -1.09 0.52 -0.30 0.54 2.13 -1.26 -4.13 120.64 117.05 1x4o n GLU 34 Ca 0.16 0.40 0.09 0.00 0.66 0.00 0.00 57.16 58.46 1x4o n GLU 34 Cb 0.11 -1.59 0.25 0.00 0.27 0.00 0.00 31.44 30.48 1x4o n GLU 34 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1x4o h VAL 35 N -1.00 0.63 0.00 6.31 3.04 -1.90 1.46 116.25 124.80 1x4o h VAL 35 Ca -0.19 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.31 1x4o h VAL 35 Cb 1.00 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 1x4o h VAL 35 CO -0.12 0.10 0.00 -1.84 -1.01 0.00 0.00 177.57 174.70 1x4o n GLU 36 N -4.94 0.12 -0.08 4.17 0.28 -1.15 0.19 120.64 119.22 1x4o n GLU 36 Ca 0.19 0.62 -0.08 0.00 -0.16 0.00 0.00 57.16 57.73 1x4o n GLU 36 Cb 0.51 -1.91 -0.03 0.00 1.43 0.00 0.00 31.44 31.44 1x4o n GLU 36 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1x4o n THR 37 N -2.17 1.45 -0.14 3.84 -1.04 0.49 -3.22 114.28 113.49 1x4o n THR 37 Ca -0.01 0.17 -0.10 0.00 -2.04 0.00 0.00 64.05 62.06 1x4o n THR 37 Cb 0.03 -2.34 -0.01 0.00 -1.82 0.00 0.00 70.33 66.19 1x4o n THR 37 CO 0.00 0.00 0.00 0.40 -0.64 0.00 0.00 175.07 174.83 1x4o h ILE 38 N -1.00 1.26 -0.59 12.58 5.03 -0.95 1.21 117.51 135.06 1x4o h ILE 38 Ca -0.05 -1.02 0.02 0.00 -0.12 0.00 0.00 64.86 63.69 1x4o h ILE 38 Cb 0.71 1.12 -0.03 0.00 -3.03 0.00 0.00 36.82 35.58 1x4o h ILE 38 CO -0.03 0.34 0.38 0.00 -0.68 0.00 0.00 178.15 178.16 1x4o h ALA 39 N 0.89 0.76 -0.09 1.87 0.00 0.18 0.82 119.26 123.68 1x4o h ALA 39 Ca 0.11 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 1x4o h ALA 39 Cb 0.48 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 1x4o h ALA 39 CO 0.02 0.14 -0.76 -0.07 0.00 0.00 0.00 179.25 178.58 1x4o h LEU 40 N 0.76 0.61 -1.29 0.00 3.38 -1.47 0.12 115.31 117.42 1x4o h LEU 40 Ca 0.23 -0.41 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 1x4o h LEU 40 Cb -0.04 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1x4o h LEU 40 CO -0.07 1.17 -0.35 1.56 0.09 0.00 0.00 178.44 180.83 1x4o h GLN 41 N 0.35 0.00 0.00 1.13 4.20 0.22 -2.12 115.11 118.89 1x4o h GLN 41 Ca -0.04 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 1x4o h GLN 41 Cb 1.35 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.13 1x4o h GLN 41 CO 0.14 0.35 -0.13 -0.97 -0.67 0.00 0.00 178.83 177.55 1x4o h ASN 42 N 0.00 0.00 -1.63 1.46 -0.73 0.80 -3.31 115.58 112.16 1x4o h ASN 42 Ca -0.00 -0.03 0.48 0.00 1.87 0.00 0.00 56.30 58.62 1x4o h ASN 42 Cb 0.63 0.00 -0.08 0.00 0.27 0.00 0.00 38.32 39.14 1x4o h ASN 42 CO 0.05 0.58 1.16 0.78 -0.37 0.00 0.00 177.43 179.62 1x4o h ASN 43 N -1.00 0.05 -0.89 1.15 2.35 -0.79 0.69 115.58 117.15 1x4o h ASN 43 Ca -0.00 0.03 0.24 0.00 -0.55 0.00 0.00 56.30 56.01 1x4o h ASN 43 Cb 0.16 0.02 -0.14 0.00 0.05 0.00 0.00 38.32 38.41 1x4o h ASN 43 CO -0.00 -0.03 0.24 0.03 -1.65 0.00 0.00 177.43 176.02 1x4o h ARG 44 N 0.02 0.20 -0.10 0.81 2.47 -1.47 0.58 114.38 116.90 1x4o h ARG 44 Ca 0.81 -0.01 -0.20 0.00 -1.26 0.00 0.00 59.98 59.32 1x4o h ARG 44 Cb 3.12 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 31.40 1x4o h ARG 44 CO -0.09 0.13 -0.76 0.93 0.56 0.00 0.00 179.97 180.74 1x4o h GLU 45 N 0.21 0.55 -6.62 0.04 4.39 0.21 -3.43 114.58 109.93 1x4o h GLU 45 Ca 0.56 -0.46 -0.52 0.00 0.34 0.00 0.00 59.36 59.28 1x4o h GLU 45 Cb 1.14 0.10 0.01 0.00 -0.10 0.00 0.00 28.75 29.90 1x4o h GLU 45 CO -0.66 1.08 0.53 -0.80 -1.16 0.00 0.00 179.01 178.01 1x4o s ASN 46 N -7.03 7.14 -0.08 1.42 -0.87 0.20 -4.94 114.94 110.78 1x4o s ASN 46 Ca -0.07 2.14 -0.08 0.00 -1.57 0.00 0.00 52.86 53.27 1x4o s ASN 46 Cb 0.10 -2.60 -0.28 0.00 -0.02 0.00 0.00 41.25 38.44 1x4o s ASN 46 CO 0.87 -0.34 0.52 -0.61 -2.57 0.00 0.00 177.10 174.96 1x4o h GLN 47 N 5.55 0.32 -0.78 -0.60 4.15 -1.85 -3.37 115.11 118.54 1x4o h GLN 47 Ca -0.44 -0.55 0.12 0.00 0.77 0.00 0.00 58.65 58.56 1x4o h GLN 47 Cb 1.21 0.20 -0.13 0.00 0.21 0.00 0.00 27.48 28.97 1x4o h GLN 47 CO 0.75 1.25 -0.37 0.00 -1.93 0.00 0.00 178.83 178.53 1x4o h ALA 48 N 0.12 0.01 0.00 3.38 0.00 -1.92 -2.43 119.26 118.43 1x4o h ALA 48 Ca -0.38 0.21 -0.44 0.00 0.00 0.00 0.00 54.91 54.30 1x4o h ALA 48 Cb 2.06 0.91 0.04 0.00 0.00 0.00 0.00 17.79 20.81 1x4o h ALA 48 CO 0.13 -0.67 2.09 1.19 0.00 0.00 0.00 179.25 181.99 1x4o n PHE 49 N -5.45 1.15 0.51 0.00 3.72 -1.26 -4.22 117.46 111.92 1x4o n PHE 49 Ca 0.07 -1.49 0.11 0.00 -0.05 0.00 0.00 57.45 56.08 1x4o n PHE 49 Cb 0.37 -1.40 -0.05 0.00 -0.94 0.00 0.00 39.48 37.47 1x4o n PHE 49 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1x4o n SER 50 N 6.08 0.56 0.00 4.37 2.88 -0.91 -3.96 113.62 122.63 1x4o n SER 50 Ca 0.40 -0.29 0.10 0.00 -1.33 0.00 0.00 58.87 57.74 1x4o n SER 50 Cb 0.24 1.07 0.51 0.00 -0.75 0.00 0.00 64.21 65.29 1x4o n SER 50 CO 0.00 0.00 0.00 2.22 -1.23 0.00 0.00 175.04 176.03 1x4o n PHE 51 N -1.97 0.00 0.49 0.66 1.16 -1.26 -1.72 117.46 114.83 1x4o n PHE 51 Ca 0.01 0.00 0.11 0.00 -1.87 0.00 0.00 57.45 55.70 1x4o n PHE 51 Cb 0.45 -0.24 -0.00 0.00 -1.61 0.00 0.00 39.48 38.08 1x4o n PHE 51 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 1x4o n LEU 52 N -1.24 0.59 -2.54 5.98 4.77 -1.25 -2.87 117.00 120.44 1x4o n LEU 52 Ca 0.10 -0.01 -0.32 0.00 -0.03 0.00 0.00 56.01 55.76 1x4o n LEU 52 Cb 0.14 -0.08 0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1x4o n LEU 52 CO 0.14 0.03 0.75 -1.22 -1.33 0.00 0.00 177.39 175.76 1x4o n TYR 53 N -2.03 3.17 0.00 -1.77 4.01 -0.70 -4.84 117.16 115.00 1x4o n TYR 53 Ca 0.01 -2.73 0.00 0.00 -0.16 0.00 0.00 57.90 55.02 1x4o n TYR 53 Cb 0.45 -0.60 0.00 0.00 -0.31 0.00 0.00 39.34 38.88 1x4o n TYR 53 CO 0.00 0.00 0.00 -0.40 -0.46 0.00 0.00 176.86 176.00 1x4o n ASP 54 N -0.57 0.00 0.10 7.72 5.68 -1.25 -5.04 116.55 123.19 1x4o n ASP 54 Ca 0.47 0.00 -0.05 0.00 -0.50 0.00 0.00 54.79 54.71 1x4o n ASP 54 Cb 0.56 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.60 1x4o n ASP 54 CO 0.00 0.00 0.00 1.55 -1.33 0.00 0.00 177.20 177.42 1x4o h PRO 55 N 0.00 0.08 -0.47 0.11 0.13 -1.88 -3.21 132.00 126.76 1x4o h PRO 55 Ca 0.00 -0.07 0.07 0.00 -0.87 0.00 0.00 66.00 65.12 1x4o h PRO 55 Cb 0.00 0.02 -0.06 0.00 0.13 0.00 0.00 31.00 31.09 1x4o h PRO 55 CO 0.00 0.81 0.15 -0.91 -0.23 0.00 0.00 178.00 177.81 1x4o h ASN 56 N 0.05 0.13 -3.48 1.44 4.21 -1.97 -3.37 115.58 112.59 1x4o h ASN 56 Ca -0.02 0.06 -0.50 0.00 1.21 0.00 0.00 56.30 57.06 1x4o h ASN 56 Cb 1.35 0.06 0.21 0.00 -1.12 0.00 0.00 38.32 38.83 1x4o h ASN 56 CO 0.11 0.10 -0.28 -1.20 -1.29 0.00 0.00 177.43 174.87 1x4o n SER 57 N -5.03 -1.27 0.14 5.81 7.64 -1.21 -4.91 113.62 114.78 1x4o n SER 57 Ca 0.04 0.19 0.05 0.00 1.01 0.00 0.00 58.87 60.16 1x4o n SER 57 Cb 0.19 -1.27 0.04 0.00 -1.01 0.00 0.00 64.21 62.16 1x4o n SER 57 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1x4o h GLN 58 N -1.99 0.00 -0.66 1.43 4.20 -1.86 -3.24 115.11 112.98 1x4o h GLN 58 Ca -0.49 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.31 1x4o h GLN 58 Cb 1.30 0.00 -0.07 0.00 0.30 0.00 0.00 27.48 29.01 1x4o h GLN 58 CO 0.40 0.30 0.30 0.78 -0.67 0.00 0.00 178.83 179.94 1x4o h GLY 59 N 3.70 0.96 0.33 3.46 0.00 -1.87 -0.19 103.07 109.46 1x4o h GLY 59 Ca -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1x4o h GLY 59 CO 0.04 0.03 -0.13 -1.82 0.00 0.00 0.00 176.54 174.66 1x4o h TYR 60 N 0.52 -0.34 -0.95 5.60 3.20 -1.62 -2.05 116.97 121.34 1x4o h TYR 60 Ca 0.33 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.35 1x4o h TYR 60 Cb 0.36 0.11 -0.16 0.00 1.54 0.00 0.00 36.73 38.58 1x4o h TYR 60 CO -0.13 -0.09 -0.35 0.00 -1.64 0.00 0.00 178.16 175.96 1x4o h ARG 61 N -1.04 -0.02 0.23 1.82 3.08 -1.56 1.28 114.38 118.17 1x4o h ARG 61 Ca -0.04 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.00 1x4o h ARG 61 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1x4o h ARG 61 CO 0.06 -0.01 -0.11 -0.92 -1.07 0.00 0.00 179.97 177.92 1x4o h TYR 62 N -0.02 -0.28 -0.20 3.04 5.03 -1.13 -1.86 116.97 121.55 1x4o h TYR 62 Ca 0.36 -0.01 0.06 0.00 2.58 0.00 0.00 58.73 61.72 1x4o h TYR 62 Cb 0.62 0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.98 1x4o h TYR 62 CO -0.82 -0.12 0.16 -0.92 -1.32 0.00 0.00 178.16 175.14 1x4o h TYR 63 N -0.38 0.00 -0.03 -3.82 5.03 0.04 -1.66 116.97 116.15 1x4o h TYR 63 Ca -0.03 0.00 -0.01 0.00 2.58 0.00 0.00 58.73 61.27 1x4o h TYR 63 Cb 0.29 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.57 1x4o h TYR 63 CO -0.04 0.00 -0.02 0.00 -1.32 0.00 0.00 178.16 176.78 1x4o h ARG 64 N 0.00 0.07 -0.39 1.82 2.47 0.21 -2.33 114.38 116.23 1x4o h ARG 64 Ca 0.09 -0.03 0.08 0.00 -1.26 0.00 0.00 59.98 58.86 1x4o h ARG 64 Cb 0.42 -0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.66 1x4o h ARG 64 CO -0.00 0.49 -0.10 0.37 0.56 0.00 0.00 179.97 181.29 1x4o h GLN 65 N -0.35 -0.00 -0.99 0.04 5.75 -0.52 0.10 115.11 119.13 1x4o h GLN 65 Ca 0.01 0.00 0.08 0.00 -0.15 0.00 0.00 58.65 58.59 1x4o h GLN 65 Cb 0.48 0.00 -0.07 0.00 1.07 0.00 0.00 27.48 28.95 1x4o h GLN 65 CO 0.01 -0.00 0.64 0.87 -2.65 0.00 0.00 178.83 177.69 1x4o h LYS 66 N -0.00 1.07 -0.22 1.69 1.79 -1.47 1.48 116.57 120.91 1x4o h LYS 66 Ca 0.19 -0.06 0.04 0.00 -2.18 0.00 0.00 60.65 58.64 1x4o h LYS 66 Cb 0.29 -0.24 -0.04 0.00 -1.58 0.00 0.00 32.23 30.66 1x4o h LYS 66 CO -0.40 0.71 -0.05 1.25 -1.08 0.00 0.00 179.45 179.88 1x4o h LEU 67 N 1.10 -0.18 -0.18 2.94 5.85 -0.26 0.41 115.31 124.99 1x4o h LEU 67 Ca 0.45 0.06 -0.15 0.00 0.84 0.00 0.00 57.88 59.08 1x4o h LEU 67 Cb 0.27 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.43 1x4o h LEU 67 CO -0.20 -0.06 -0.49 -0.78 -0.34 0.00 0.00 178.44 176.57 1x4o h ASP 68 N 0.01 0.74 -0.28 1.25 1.82 -0.06 -0.08 116.42 119.82 1x4o h ASP 68 Ca 0.10 -0.58 0.07 0.00 -0.39 0.00 0.00 57.03 56.23 1x4o h ASP 68 Cb 0.16 -0.21 -0.07 0.00 0.68 0.00 0.00 39.33 39.88 1x4o h ASP 68 CO -0.22 1.19 -0.23 -0.08 -1.61 0.00 0.00 179.24 178.29 1x4o h GLU 69 N 0.32 -0.21 -0.24 0.28 4.57 0.25 -2.25 114.58 117.30 1x4o h GLU 69 Ca -0.01 0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 1x4o h GLU 69 Cb 1.11 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 29.74 1x4o h GLU 69 CO 0.11 -0.14 -0.18 0.74 -1.18 0.00 0.00 179.01 178.36 1x4o h PHE 70 N -0.22 0.64 0.00 0.92 0.04 -0.23 -3.31 116.94 114.79 1x4o h PHE 70 Ca 0.15 -0.18 -0.60 0.00 2.80 0.00 0.00 57.97 60.14 1x4o h PHE 70 Cb 0.45 -0.14 0.01 0.00 2.20 0.00 0.00 35.95 38.47 1x4o h PHE 70 CO -0.40 0.85 2.98 0.54 -0.60 0.00 0.00 178.31 181.68 1x4o n ARG 71 N -4.43 2.54 0.00 1.51 1.74 -0.05 -4.77 116.66 113.22 1x4o n ARG 71 Ca -0.04 -2.04 0.00 0.00 -0.77 0.00 0.00 57.85 55.00 1x4o n ARG 71 Cb 0.39 -2.87 0.00 0.00 -1.02 0.00 0.00 32.46 28.96 1x4o n ARG 71 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1x4o n LYS 72 N 5.24 0.00 -2.75 5.56 5.02 -1.23 -4.80 118.16 125.20 1x4o n LYS 72 Ca 0.56 0.51 -0.04 0.00 -2.02 0.00 0.00 58.31 57.31 1x4o n LYS 72 Cb 0.29 -1.07 0.01 0.00 -0.02 0.00 0.00 35.03 34.24 1x4o n LYS 72 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1x4o n SER 73 N -1.21 -7.80 0.00 4.39 7.64 -1.26 -5.02 113.62 110.37 1x4o n SER 73 Ca 0.00 0.91 0.00 0.00 1.01 0.00 0.00 58.87 60.79 1x4o n SER 73 Cb 0.00 -5.23 0.00 0.00 -1.01 0.00 0.00 64.21 57.97 1x4o n SER 73 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x4o n GLY 74 N 0.13 4.21 3.26 0.23 0.00 -1.26 -4.96 105.19 106.80 1x4o n GLY 74 Ca 0.06 -1.52 -0.39 0.00 0.00 0.00 0.00 46.02 44.17 1x4o n GLY 74 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x4o n PRO 75 N -1.73 2.30 -4.14 1.61 -0.04 -1.26 -4.86 135.00 126.87 1x4o n PRO 75 Ca 0.00 -2.56 -0.23 0.00 -0.04 0.00 0.00 63.50 60.66 1x4o n PRO 75 Cb 0.00 -3.36 -0.17 0.00 -0.04 0.00 0.00 33.50 29.93 1x4o n PRO 75 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1x4o s SER 76 N 4.74 1.60 -0.25 3.54 1.04 -1.26 -4.93 113.70 118.18 1x4o s SER 76 Ca 0.57 -0.21 -0.22 0.00 0.48 0.00 0.00 55.95 56.57 1x4o s SER 76 Cb 0.08 -0.65 0.03 0.00 0.10 0.00 0.00 66.02 65.58 1x4o s SER 76 CO 0.06 -0.07 0.37 -1.54 0.98 0.00 0.00 173.24 173.04 1x4o n SER 77 N 4.41 -6.00 0.00 7.02 3.41 -1.26 -5.05 113.62 116.15 1x4o n SER 77 Ca -0.18 0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1x4o n SER 77 Cb 0.51 -1.67 0.00 0.00 -0.26 0.00 0.00 64.21 62.79 1x4o n SER 77 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49