#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 -7.73 -4.71 1.61 2.88 -1.26 -5.03 113.62 99.38 1x4o n SER 2 Ca 0.00 0.44 -0.23 0.00 -1.33 0.00 0.00 58.87 57.75 1x4o n SER 2 Cb 0.00 -5.06 -0.06 0.00 -0.75 0.00 0.00 64.21 58.33 1x4o n SER 2 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1x4o s SER 3 N -2.53 4.90 -0.30 -3.46 0.01 -1.26 -5.13 113.70 105.94 1x4o s SER 3 Ca 0.25 -0.47 -0.23 0.00 1.31 0.00 0.00 55.95 56.80 1x4o s SER 3 Cb -0.06 -1.06 0.18 0.00 0.21 0.00 0.00 66.02 65.29 1x4o s SER 3 CO 0.78 0.01 1.34 -0.83 0.41 0.00 0.00 173.24 174.94 1x4o s GLY 4 N -3.59 0.31 0.90 3.44 0.00 -1.26 -5.16 107.32 101.96 1x4o s GLY 4 Ca 0.31 3.44 -0.14 0.00 0.00 0.00 0.00 44.72 48.34 1x4o s GLY 4 CO 0.21 2.07 0.39 1.44 0.00 0.00 0.00 173.10 177.21 1x4o n SER 5 N 1.98 -2.02 -0.09 1.64 7.64 -1.26 -4.97 113.62 116.53 1x4o n SER 5 Ca -0.12 0.39 -0.10 0.00 1.01 0.00 0.00 58.87 60.05 1x4o n SER 5 Cb 0.57 -1.19 -0.04 0.00 -1.01 0.00 0.00 64.21 62.54 1x4o n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x4o n SER 6 N -0.86 1.89 0.00 6.43 2.88 -1.26 -5.08 113.62 117.62 1x4o n SER 6 Ca 0.07 0.44 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1x4o n SER 6 Cb 0.53 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 1x4o n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4o n GLY 7 N 1.49 -0.09 3.69 0.46 0.00 -1.26 -4.76 105.19 104.72 1x4o n GLY 7 Ca -0.17 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.40 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 0.00 4.13 -0.09 1.61 1.02 -1.26 -5.07 119.74 120.07 1x4o s LYS 8 Ca 0.00 -0.21 0.02 0.00 0.02 0.00 0.00 55.97 55.79 1x4o s LYS 8 Cb 0.00 -3.49 0.01 0.00 -0.52 0.00 0.00 37.83 33.83 1x4o s LYS 8 CO 0.00 0.15 -0.13 0.08 -0.92 0.00 0.00 175.35 174.53 1x4o s VAL 9 N 0.79 1.31 0.30 3.17 1.01 -1.26 -5.14 120.40 120.57 1x4o s VAL 9 Ca 0.09 -0.54 0.10 0.00 0.00 0.00 0.00 61.98 61.62 1x4o s VAL 9 Cb -0.13 -1.21 -0.06 0.00 0.00 0.00 0.00 36.38 34.99 1x4o s VAL 9 CO 0.02 0.40 -0.14 -0.94 0.00 0.00 0.00 175.10 174.45 1x4o s SER 10 N 0.94 3.46 0.58 3.32 1.04 -1.26 -5.10 113.70 116.68 1x4o s SER 10 Ca -0.09 -1.11 -0.16 0.00 0.48 0.00 0.00 55.95 55.07 1x4o s SER 10 Cb -0.15 -0.29 -0.04 0.00 0.10 0.00 0.00 66.02 65.64 1x4o s SER 10 CO -0.00 -0.12 1.05 -2.16 0.98 0.00 0.00 173.24 172.99 1x4o s PRO 11 N -3.59 3.40 0.85 4.02 0.04 -1.26 -4.66 135.00 133.81 1x4o s PRO 11 Ca 0.30 1.17 -0.12 0.00 0.04 0.00 0.00 61.00 62.40 1x4o s PRO 11 Cb -0.01 -2.05 0.10 0.00 0.04 0.00 0.00 34.50 32.59 1x4o s PRO 11 CO 0.14 -0.74 1.12 -1.25 0.04 0.00 0.00 177.00 176.31 1x4o s PRO 12 N -4.08 1.63 -0.18 0.56 0.04 -1.26 -5.02 135.00 126.69 1x4o s PRO 12 Ca 0.63 0.46 -0.21 0.00 0.04 0.00 0.00 61.00 61.92 1x4o s PRO 12 Cb -0.15 -1.88 -0.18 0.00 0.04 0.00 0.00 34.50 32.32 1x4o s PRO 12 CO 0.36 -1.90 0.30 0.93 0.04 0.00 0.00 177.00 176.74 1x4o h GLU 13 N -1.29 0.00 -5.89 4.56 5.08 -1.96 -3.45 114.58 111.63 1x4o h GLU 13 Ca -0.49 0.00 -0.63 0.00 -1.00 0.00 0.00 59.36 57.25 1x4o h GLU 13 Cb 1.30 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 1x4o h GLU 13 CO 0.61 0.85 1.47 -0.25 -1.00 0.00 0.00 179.01 180.69 1x4o n ASP 14 N -4.51 2.25 0.08 1.42 9.92 -1.26 -4.82 116.55 119.63 1x4o n ASP 14 Ca -0.22 0.26 -0.12 0.00 -0.53 0.00 0.00 54.79 54.18 1x4o n ASP 14 Cb 0.55 -1.33 -0.06 0.00 -0.64 0.00 0.00 41.12 39.64 1x4o n ASP 14 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1x4o h GLU 15 N 13.61 -0.17 -1.43 -1.24 4.81 -1.99 -1.12 114.58 127.04 1x4o h GLU 15 Ca -0.28 0.01 0.42 0.00 -0.13 0.00 0.00 59.36 59.38 1x4o h GLU 15 Cb 1.30 0.04 -0.07 0.00 0.63 0.00 0.00 28.75 30.65 1x4o h GLU 15 CO 1.04 -0.12 1.01 0.93 -0.73 0.00 0.00 179.01 181.15 1x4o h GLU 16 N -0.18 0.05 0.12 1.92 5.08 -2.00 0.20 114.58 119.77 1x4o h GLU 16 Ca 0.01 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1x4o h GLU 16 Cb 0.19 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1x4o h GLU 16 CO -0.05 0.03 -0.06 0.00 -1.00 0.00 0.00 179.01 177.94 1x4o h ALA 17 N 1.34 -0.16 -1.55 3.43 0.00 -1.61 0.12 119.26 120.82 1x4o h ALA 17 Ca 0.72 -0.14 0.45 0.00 0.00 0.00 0.00 54.91 55.93 1x4o h ALA 17 Cb 2.70 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 20.49 1x4o h ALA 17 CO -0.10 -0.17 1.24 -0.22 0.00 0.00 0.00 179.25 180.00 1x4o h LYS 18 N -1.00 0.00 0.00 0.00 3.64 0.20 1.56 116.57 120.97 1x4o h LYS 18 Ca -0.02 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.16 1x4o h LYS 18 Cb 0.34 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 1x4o h LYS 18 CO 0.03 0.00 -1.11 -0.97 -2.27 0.00 0.00 179.45 175.13 1x4o h ASN 19 N 0.00 0.00 0.12 4.20 -0.73 -1.17 -3.22 115.58 114.78 1x4o h ASN 19 Ca 0.74 -0.52 0.02 0.00 1.87 0.00 0.00 56.30 58.40 1x4o h ASN 19 Cb 3.20 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 41.76 1x4o h ASN 19 CO -0.01 1.41 -0.26 -0.07 -0.37 0.00 0.00 177.43 178.13 1x4o h LEU 20 N -1.00 -0.74 -0.14 0.34 3.38 0.31 0.21 115.31 117.67 1x4o h LEU 20 Ca -0.30 0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.78 1x4o h LEU 20 Cb 1.23 0.28 -0.05 0.00 0.09 0.00 0.00 40.66 42.21 1x4o h LEU 20 CO -0.18 -0.35 -0.37 0.00 0.09 0.00 0.00 178.44 177.62 1x4o h ALA 21 N 0.26 -0.72 -0.08 1.53 0.00 0.17 0.49 119.26 120.91 1x4o h ALA 21 Ca 0.03 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.92 1x4o h ALA 21 Cb 0.49 0.91 -0.03 0.00 0.00 0.00 0.00 17.79 19.16 1x4o h ALA 21 CO -0.15 -0.86 -0.21 1.49 0.00 0.00 0.00 179.25 179.52 1x4o h GLU 22 N -0.37 -0.19 -0.79 0.00 4.81 -1.51 -0.01 114.58 116.53 1x4o h GLU 22 Ca 0.03 0.01 0.07 0.00 -0.13 0.00 0.00 59.36 59.34 1x4o h GLU 22 Cb 0.45 0.04 -0.10 0.00 0.63 0.00 0.00 28.75 29.78 1x4o h GLU 22 CO -0.33 -0.13 -0.48 0.87 -0.73 0.00 0.00 179.01 178.21 1x4o h LYS 23 N -0.20 -0.02 -0.60 1.92 1.57 -0.29 1.52 116.57 120.46 1x4o h LYS 23 Ca 0.02 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.85 1x4o h LYS 23 Cb 0.25 0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.49 1x4o h LYS 23 CO -0.18 -0.02 -0.37 1.25 -0.57 0.00 0.00 179.45 179.56 1x4o h LEU 24 N -0.03 -1.35 -0.04 2.94 7.12 0.52 1.23 115.31 125.71 1x4o h LEU 24 Ca 0.13 0.20 0.04 0.00 0.13 0.00 0.00 57.88 58.38 1x4o h LEU 24 Cb 0.35 0.59 -0.05 0.00 -0.53 0.00 0.00 40.66 41.02 1x4o h LEU 24 CO -0.75 -0.15 -0.24 0.00 -0.13 0.00 0.00 178.44 177.16 1x4o h ALA 25 N -0.09 -0.30 -0.91 1.25 0.00 0.10 0.45 119.26 119.77 1x4o h ALA 25 Ca 0.10 0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.26 1x4o h ALA 25 Cb 0.26 0.44 -0.13 0.00 0.00 0.00 0.00 17.79 18.37 1x4o h ALA 25 CO -0.57 -0.73 0.38 -0.09 0.00 0.00 0.00 179.25 178.23 1x4o h ARG 26 N -0.36 0.33 0.00 0.00 2.43 0.47 1.44 114.38 118.69 1x4o h ARG 26 Ca 0.07 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 1x4o h ARG 26 Cb 0.46 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1x4o h ARG 26 CO -0.25 0.22 0.00 0.34 -1.51 0.00 0.00 179.97 178.77 1x4o n PHE 27 N -5.09 0.00 -0.39 2.20 7.35 0.40 -2.66 117.46 119.26 1x4o n PHE 27 Ca 0.23 0.00 0.31 0.00 -0.76 0.00 0.00 57.45 57.24 1x4o n PHE 27 Cb 0.71 -0.49 0.59 0.00 0.35 0.00 0.00 39.48 40.64 1x4o n PHE 27 CO 0.00 0.00 0.00 0.82 -0.76 0.00 0.00 176.76 176.82 1x4o h ILE 28 N 0.00 0.25 -0.57 -2.13 2.04 0.08 1.46 117.51 118.64 1x4o h ILE 28 Ca 0.00 -0.07 0.05 0.00 1.00 0.00 0.00 64.86 65.84 1x4o h ILE 28 Cb 0.00 0.04 -0.05 0.00 -0.74 0.00 0.00 36.82 36.07 1x4o h ILE 28 CO 0.00 0.04 0.30 0.00 0.00 0.00 0.00 178.15 178.49 1x4o h ALA 29 N 1.65 0.74 0.00 1.87 0.00 0.19 0.44 119.26 124.16 1x4o h ALA 29 Ca 0.75 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.68 1x4o h ALA 29 Cb 2.16 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1x4o h ALA 29 CO -0.42 -0.02 0.00 -0.25 0.00 0.00 0.00 179.25 178.55 1x4o n ASP 30 N -4.84 0.46 0.00 0.00 8.00 0.50 -4.44 116.55 116.23 1x4o n ASP 30 Ca 0.06 0.68 0.00 0.00 0.71 0.00 0.00 54.79 56.24 1x4o n ASP 30 Cb 0.14 -0.75 0.00 0.00 -0.02 0.00 0.00 41.12 40.49 1x4o n ASP 30 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x4o n GLY 31 N -0.92 0.76 0.00 0.44 0.00 0.15 -4.69 105.19 100.93 1x4o n GLY 31 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.90 0.00 -0.02 0.00 -0.99 -4.33 105.19 103.96 1x4o n GLY 32 Ca 0.00 0.07 0.11 0.00 0.00 0.00 0.00 46.02 46.20 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 0.30 -0.10 1.61 -0.04 -1.26 -2.38 135.00 133.13 1x4o n PRO 33 Ca 0.00 0.07 -0.21 0.00 -0.04 0.00 0.00 63.50 63.33 1x4o n PRO 33 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 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 -1.30 0.55 -0.31 0.54 2.13 -1.26 -3.98 120.64 117.02 1x4o n GLU 34 Ca 0.10 0.56 -0.02 0.00 0.66 0.00 0.00 57.16 58.46 1x4o n GLU 34 Cb 0.19 -1.73 0.14 0.00 0.27 0.00 0.00 31.44 30.31 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 1.24 0.00 6.31 3.04 -1.89 0.91 116.25 124.87 1x4o h VAL 35 Ca -0.33 -0.53 0.00 0.00 -1.01 0.00 0.00 66.70 64.82 1x4o h VAL 35 Cb 1.24 0.01 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 1x4o h VAL 35 CO -0.20 0.26 0.00 -1.84 -1.01 0.00 0.00 177.57 174.78 1x4o n GLU 36 N -4.36 0.12 -0.08 4.17 0.28 -1.00 0.20 120.64 119.96 1x4o n GLU 36 Ca 0.10 0.62 -0.10 0.00 -0.16 0.00 0.00 57.16 57.62 1x4o n GLU 36 Cb 0.06 -1.89 -0.04 0.00 1.43 0.00 0.00 31.44 31.00 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 -2.14 1.46 -0.09 3.84 -1.04 0.26 -3.26 114.28 113.31 1x4o n THR 37 Ca -0.01 0.13 -0.12 0.00 -2.04 0.00 0.00 64.05 62.01 1x4o n THR 37 Cb 0.03 -2.30 -0.04 0.00 -1.82 0.00 0.00 70.33 66.20 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 1.29 -0.46 12.58 5.03 -1.05 0.77 117.51 134.67 1x4o h ILE 38 Ca -0.10 -1.20 0.03 0.00 -0.12 0.00 0.00 64.86 63.47 1x4o h ILE 38 Cb 0.79 1.49 -0.04 0.00 -3.03 0.00 0.00 36.82 36.04 1x4o h ILE 38 CO -0.06 0.38 0.25 0.00 -0.68 0.00 0.00 178.15 178.04 1x4o h ALA 39 N 0.75 0.59 -0.32 1.87 0.00 0.21 0.25 119.26 122.61 1x4o h ALA 39 Ca 0.06 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1x4o h ALA 39 Cb 0.63 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1x4o h ALA 39 CO 0.04 -0.09 -0.42 -0.07 0.00 0.00 0.00 179.25 178.71 1x4o h LEU 40 N 0.49 0.92 -2.09 0.00 3.38 -1.51 -0.28 115.31 116.22 1x4o h LEU 40 Ca 0.20 -0.50 0.08 0.00 0.09 0.00 0.00 57.88 57.75 1x4o h LEU 40 Cb 0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 1x4o h LEU 40 CO -0.12 1.23 0.24 1.56 0.09 0.00 0.00 178.44 181.44 1x4o h GLN 41 N 0.63 0.00 0.00 1.13 4.20 0.12 0.61 115.11 121.80 1x4o h GLN 41 Ca 0.04 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.72 1x4o h GLN 41 Cb 1.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.80 1x4o h GLN 41 CO 0.10 0.00 -0.37 -0.97 -0.67 0.00 0.00 178.83 176.92 1x4o h ASN 42 N 0.00 0.00 -0.97 1.46 -0.73 -0.66 -3.35 115.58 111.34 1x4o h ASN 42 Ca 0.13 -0.15 0.26 0.00 1.87 0.00 0.00 56.30 58.41 1x4o h ASN 42 Cb 0.60 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 39.13 1x4o h ASN 42 CO -0.00 0.77 0.67 0.78 -0.37 0.00 0.00 177.43 179.28 1x4o h ASN 43 N -1.00 0.23 -0.81 1.15 -0.26 -0.71 0.15 115.58 114.33 1x4o h ASN 43 Ca -0.04 0.03 0.20 0.00 -0.56 0.00 0.00 56.30 55.93 1x4o h ASN 43 Cb 0.46 -0.01 -0.13 0.00 -1.06 0.00 0.00 38.32 37.59 1x4o h ASN 43 CO -0.02 0.07 0.15 -0.09 -1.06 0.00 0.00 177.43 176.48 1x4o h ARG 44 N 0.21 0.19 -0.40 0.81 2.43 0.10 0.25 114.38 117.97 1x4o h ARG 44 Ca 0.50 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.59 1x4o h ARG 44 Cb 1.58 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.07 1x4o h ARG 44 CO -0.13 0.13 0.00 0.93 -1.51 0.00 0.00 179.97 179.40 1x4o h GLU 45 N 0.20 0.70 -6.79 0.20 5.08 -0.85 -3.43 114.58 109.69 1x4o h GLU 45 Ca 0.47 -0.22 -0.51 0.00 -1.00 0.00 0.00 59.36 58.10 1x4o h GLU 45 Cb 0.89 -0.06 0.03 0.00 0.50 0.00 0.00 28.75 30.10 1x4o h GLU 45 CO -0.62 0.79 0.53 1.21 -1.00 0.00 0.00 179.01 179.92 1x4o s ASN 46 N -6.19 7.12 -0.01 1.42 3.84 0.87 -4.94 114.94 117.06 1x4o s ASN 46 Ca -0.13 2.35 0.17 0.00 0.21 0.00 0.00 52.86 55.47 1x4o s ASN 46 Cb 0.10 -2.63 -0.19 0.00 -0.55 0.00 0.00 41.25 37.98 1x4o s ASN 46 CO 0.79 -0.28 0.61 0.00 -2.79 0.00 0.00 177.10 175.43 1x4o n GLN 47 N 1.43 0.64 -0.07 0.43 6.02 -1.26 -4.27 117.38 120.30 1x4o n GLN 47 Ca 0.00 0.13 -0.08 0.00 -0.01 0.00 0.00 57.00 57.04 1x4o n GLN 47 Cb 0.44 -1.71 -0.02 0.00 1.02 0.00 0.00 30.24 29.97 1x4o n GLN 47 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1x4o h ALA 48 N 1.38 -0.17 0.00 -1.58 0.00 -1.92 -3.04 119.26 113.94 1x4o h ALA 48 Ca -0.23 0.08 -0.54 0.00 0.00 0.00 0.00 54.91 54.22 1x4o h ALA 48 Cb 1.67 0.59 0.07 0.00 0.00 0.00 0.00 17.79 20.12 1x4o h ALA 48 CO 0.04 -0.70 1.99 1.19 0.00 0.00 0.00 179.25 181.77 1x4o n PHE 49 N -5.40 1.15 -0.01 0.00 3.72 -1.26 -4.32 117.46 111.34 1x4o n PHE 49 Ca -0.00 -1.38 -0.05 0.00 -0.05 0.00 0.00 57.45 55.97 1x4o n PHE 49 Cb 0.31 -1.36 -0.12 0.00 -0.94 0.00 0.00 39.48 37.37 1x4o n PHE 49 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1x4o n SER 50 N 7.22 0.74 0.00 4.37 3.41 -1.15 -3.83 113.62 124.37 1x4o n SER 50 Ca 0.44 0.34 0.03 0.00 -0.26 0.00 0.00 58.87 59.43 1x4o n SER 50 Cb 0.34 0.19 0.15 0.00 -0.26 0.00 0.00 64.21 64.63 1x4o n SER 50 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 1x4o n PHE 51 N -2.94 0.00 0.09 7.33 1.16 -1.26 -0.90 117.46 120.95 1x4o n PHE 51 Ca -0.16 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.23 1x4o n PHE 51 Cb 0.98 -0.50 -0.15 0.00 -1.61 0.00 0.00 39.48 38.20 1x4o n PHE 51 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 1x4o h LEU 52 N 0.00 0.54 0.00 5.98 3.38 -1.93 -3.05 115.31 120.23 1x4o h LEU 52 Ca 0.00 -0.67 -0.00 0.00 0.09 0.00 0.00 57.88 57.30 1x4o h LEU 52 Cb 0.12 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 1x4o h LEU 52 CO 0.00 1.54 -0.30 1.88 0.09 0.00 0.00 178.44 181.66 1x4o h TYR 53 N 0.09 0.00 -1.27 1.13 0.05 -1.42 -3.45 116.97 112.11 1x4o h TYR 53 Ca -0.24 0.00 -0.62 0.00 0.05 0.00 0.00 58.73 57.92 1x4o h TYR 53 Cb 2.06 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 39.78 1x4o h TYR 53 CO 0.08 0.02 1.48 -0.25 -1.05 0.00 0.00 178.16 178.45 1x4o n ASP 54 N -4.68 2.27 0.18 3.88 9.92 -0.08 -4.77 116.55 123.27 1x4o n ASP 54 Ca -0.04 0.23 0.14 0.00 -0.53 0.00 0.00 54.79 54.59 1x4o n ASP 54 Cb 0.16 -1.34 0.44 0.00 -0.64 0.00 0.00 41.12 39.74 1x4o n ASP 54 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1x4o h PRO 55 N 13.85 0.00 -0.79 -0.24 0.13 -1.87 -2.98 132.00 140.10 1x4o h PRO 55 Ca -0.28 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.33 1x4o h PRO 55 Cb 1.30 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 32.13 1x4o h PRO 55 CO 1.05 0.00 0.17 0.09 -0.23 0.00 0.00 178.00 179.08 1x4o n ASN 56 N -2.68 5.36 -4.70 1.44 3.02 -1.26 -4.65 115.26 111.79 1x4o n ASN 56 Ca 0.03 -3.76 -0.34 0.00 -0.03 0.00 0.00 54.58 50.48 1x4o n ASN 56 Cb 0.37 -0.71 -0.09 0.00 -0.61 0.00 0.00 39.78 38.74 1x4o n ASN 56 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1x4o s SER 57 N -2.42 5.28 0.48 6.41 0.15 -1.12 -4.99 113.70 117.48 1x4o s SER 57 Ca 0.56 0.10 0.17 0.00 0.70 0.00 0.00 55.95 57.48 1x4o s SER 57 Cb 0.46 -1.46 1.18 0.00 -1.71 0.00 0.00 66.02 64.49 1x4o s SER 57 CO 0.02 0.33 2.04 1.56 1.20 0.00 0.00 173.24 178.39 1x4o h GLN 58 N 4.74 0.19 -0.09 5.44 4.20 -1.93 -0.36 115.11 127.30 1x4o h GLN 58 Ca -0.50 -0.01 -0.22 0.00 0.06 0.00 0.00 58.65 57.98 1x4o h GLN 58 Cb 1.19 -0.04 0.01 0.00 0.30 0.00 0.00 27.48 28.93 1x4o h GLN 58 CO 0.56 0.13 -0.81 0.78 -0.67 0.00 0.00 178.83 178.82 1x4o h GLY 59 N 0.20 0.67 0.81 3.46 0.00 -1.93 -2.92 103.07 103.36 1x4o h GLY 59 Ca 0.18 -0.99 -0.02 0.00 0.00 0.00 0.00 47.33 46.50 1x4o h GLY 59 CO -0.03 0.88 -0.18 -1.82 0.00 0.00 0.00 176.54 175.39 1x4o h TYR 60 N 0.40 -0.47 -0.13 5.60 3.20 -1.00 0.49 116.97 125.06 1x4o h TYR 60 Ca -0.06 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.84 1x4o h TYR 60 Cb 1.42 0.16 -0.07 0.00 1.54 0.00 0.00 36.73 39.78 1x4o h TYR 60 CO 0.07 -0.19 -0.43 0.00 -1.64 0.00 0.00 178.16 175.98 1x4o h ARG 61 N -0.70 -0.48 -0.89 1.82 3.08 -1.33 0.62 114.38 116.50 1x4o h ARG 61 Ca -0.05 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1x4o h ARG 61 Cb 0.50 0.11 -0.04 0.00 0.08 0.00 0.00 29.97 30.61 1x4o h ARG 61 CO 0.09 -0.32 0.48 -0.92 -1.07 0.00 0.00 179.97 178.23 1x4o h TYR 62 N -0.50 1.22 0.50 3.04 5.03 -1.52 -2.88 116.97 121.86 1x4o h TYR 62 Ca 0.07 -0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.33 1x4o h TYR 62 Cb 0.63 -0.39 0.00 0.00 1.55 0.00 0.00 36.73 38.52 1x4o h TYR 62 CO -0.49 0.84 -0.27 -0.92 -1.32 0.00 0.00 178.16 176.00 1x4o h TYR 63 N 1.24 -0.71 -0.86 -3.82 5.03 0.13 -2.62 116.97 115.36 1x4o h TYR 63 Ca 0.31 -0.01 0.22 0.00 2.58 0.00 0.00 58.73 61.83 1x4o h TYR 63 Cb 0.03 0.24 -0.14 0.00 1.55 0.00 0.00 36.73 38.41 1x4o h TYR 63 CO 0.01 -0.43 0.14 0.00 -1.32 0.00 0.00 178.16 176.57 1x4o h ARG 64 N -0.72 0.15 0.16 1.82 2.47 0.34 -0.07 114.38 118.52 1x4o h ARG 64 Ca -0.06 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 1x4o h ARG 64 Cb 0.57 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 28.83 1x4o h ARG 64 CO 0.09 0.10 -0.39 0.37 0.56 0.00 0.00 179.97 180.69 1x4o h GLN 65 N 0.15 -0.59 -0.89 0.04 4.15 -1.26 0.52 115.11 117.23 1x4o h GLN 65 Ca 0.52 0.04 0.22 0.00 0.77 0.00 0.00 58.65 60.20 1x4o h GLN 65 Cb 1.03 0.13 -0.12 0.00 0.21 0.00 0.00 27.48 28.73 1x4o h GLN 65 CO -0.70 -0.39 0.38 0.87 -1.93 0.00 0.00 178.83 177.06 1x4o h LYS 66 N -0.61 0.38 -0.48 1.69 1.79 -0.86 1.61 116.57 120.09 1x4o h LYS 66 Ca -0.01 -0.02 0.07 0.00 -2.18 0.00 0.00 60.65 58.50 1x4o h LYS 66 Cb 0.59 -0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 31.09 1x4o h LYS 66 CO -0.18 0.25 0.14 1.25 -1.08 0.00 0.00 179.45 179.83 1x4o h LEU 67 N 0.39 0.09 -0.16 2.94 5.85 0.14 0.57 115.31 125.14 1x4o h LEU 67 Ca 0.55 0.07 -0.20 0.00 0.84 0.00 0.00 57.88 59.14 1x4o h LEU 67 Cb 1.04 0.08 0.01 0.00 0.37 0.00 0.00 40.66 42.15 1x4o h LEU 67 CO -0.53 0.08 -0.68 -0.78 -0.34 0.00 0.00 178.44 176.19 1x4o h ASP 68 N 0.29 0.88 -0.58 1.25 3.58 0.21 0.41 116.42 122.46 1x4o h ASP 68 Ca 0.23 -0.62 0.08 0.00 0.42 0.00 0.00 57.03 57.15 1x4o h ASP 68 Cb 0.28 -0.26 -0.06 0.00 1.72 0.00 0.00 39.33 41.01 1x4o h ASP 68 CO -0.27 1.35 0.24 -0.08 -2.88 0.00 0.00 179.24 177.60 1x4o h GLU 69 N 0.46 0.43 0.01 0.28 4.57 0.30 -0.08 114.58 120.55 1x4o h GLU 69 Ca -0.04 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.11 1x4o h GLU 69 Cb 1.31 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1x4o h GLU 69 CO 0.14 0.29 -0.01 0.74 -1.18 0.00 0.00 179.01 178.99 1x4o h PHE 70 N 0.45 -0.01 -1.00 0.92 0.04 0.12 -3.34 116.94 114.11 1x4o h PHE 70 Ca 0.28 -0.00 0.19 0.00 2.80 0.00 0.00 57.97 61.24 1x4o h PHE 70 Cb 0.30 0.00 -0.18 0.00 2.20 0.00 0.00 35.95 38.28 1x4o h PHE 70 CO -0.15 0.40 -0.28 0.54 -0.60 0.00 0.00 178.31 178.22 1x4o n ARG 71 N -4.72 -0.13 0.00 1.51 1.74 0.15 -4.66 116.66 110.54 1x4o n ARG 71 Ca -0.04 1.55 0.00 0.00 -0.77 0.00 0.00 57.85 58.59 1x4o n ARG 71 Cb 0.20 -2.32 0.00 0.00 -1.02 0.00 0.00 32.46 29.32 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 -5.59 0.00 -3.11 5.56 4.76 -0.05 -3.96 118.16 115.77 1x4o n LYS 72 Ca 0.15 0.00 0.04 0.00 -2.87 0.00 0.00 58.31 55.63 1x4o n LYS 72 Cb 0.48 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.66 1x4o n LYS 72 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1x4o s SER 73 N 0.00 -0.98 0.19 4.39 1.04 -1.26 -5.03 113.70 112.04 1x4o s SER 73 Ca 0.00 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1x4o s SER 73 Cb 0.00 1.53 0.00 0.00 0.10 0.00 0.00 66.02 67.65 1x4o s SER 73 CO 0.00 -0.16 0.00 0.61 0.98 0.00 0.00 173.24 174.67 1x4o n GLY 74 N 4.98 -1.89 3.81 7.32 0.00 -1.25 -4.89 105.19 113.27 1x4o n GLY 74 Ca 0.08 -1.35 -0.32 0.00 0.00 0.00 0.00 46.02 44.43 1x4o n GLY 74 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x4o s PRO 75 N -0.05 3.23 -1.08 1.61 0.04 -1.26 -4.81 135.00 132.68 1x4o s PRO 75 Ca 0.00 1.09 -0.13 0.00 0.04 0.00 0.00 61.00 62.00 1x4o s PRO 75 Cb 0.00 -2.03 0.20 0.00 0.04 0.00 0.00 34.50 32.72 1x4o s PRO 75 CO 0.00 -0.87 1.20 0.45 0.04 0.00 0.00 177.00 177.81 1x4o s SER 76 N -3.19 7.03 -0.04 6.66 0.15 -1.26 -4.76 113.70 118.29 1x4o s SER 76 Ca 0.61 -2.97 -0.04 0.00 0.70 0.00 0.00 55.95 54.25 1x4o s SER 76 Cb -0.15 -2.32 0.01 0.00 -1.71 0.00 0.00 66.02 61.86 1x4o s SER 76 CO 0.43 -0.64 0.07 -0.24 1.20 0.00 0.00 173.24 174.07 1x4o n SER 77 N 4.69 -5.28 0.00 5.45 2.88 -1.26 -4.99 113.62 115.11 1x4o n SER 77 Ca 0.28 1.32 0.00 0.00 -1.33 0.00 0.00 58.87 59.13 1x4o n SER 77 Cb 0.43 -4.32 0.00 0.00 -0.75 0.00 0.00 64.21 59.57 1x4o n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42