#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 -6.50 -3.65 1.61 7.64 -1.26 -5.02 113.62 106.44 1x4o n SER 2 Ca 0.00 1.10 0.01 0.00 1.01 0.00 0.00 58.87 60.99 1x4o n SER 2 Cb 0.00 -4.00 -0.06 0.00 -1.01 0.00 0.00 64.21 59.14 1x4o n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4o s SER 3 N -1.19 -0.13 0.00 6.43 0.15 -1.26 -4.93 113.70 112.77 1x4o s SER 3 Ca -0.04 0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.82 1x4o s SER 3 Cb 0.00 0.96 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1x4o s SER 3 CO 0.51 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.53 1x4o n GLY 4 N 3.02 0.84 2.03 9.45 0.00 -1.26 -5.15 105.19 114.13 1x4o n GLY 4 Ca -0.17 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.01 1x4o n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x4o n SER 5 N 1.58 -8.77 0.00 1.61 7.64 -1.26 -5.08 113.62 109.34 1x4o n SER 5 Ca 0.00 1.35 0.00 0.00 1.01 0.00 0.00 58.87 61.23 1x4o n SER 5 Cb 0.00 -4.96 0.00 0.00 -1.01 0.00 0.00 64.21 58.24 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 1.85 0.00 0.00 6.43 2.88 -1.26 -5.11 113.62 118.42 1x4o n SER 6 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1x4o n SER 6 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 1.00 2.71 0.46 0.00 -1.26 -5.00 105.19 103.10 1x4o n GLY 7 Ca 0.00 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.37 1x4o n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1x4o s LYS 8 N 0.00 0.63 -0.11 1.61 0.00 -1.26 -4.96 119.74 115.65 1x4o s LYS 8 Ca 0.00 -0.84 -0.07 0.00 0.00 0.00 0.00 55.97 55.06 1x4o s LYS 8 Cb 0.00 -1.89 -0.05 0.00 0.00 0.00 0.00 37.83 35.89 1x4o s LYS 8 CO 0.00 -0.91 -0.17 0.28 0.00 0.00 0.00 175.35 174.55 1x4o n VAL 9 N 4.95 0.86 -1.17 1.79 0.31 -1.26 -5.12 118.33 118.69 1x4o n VAL 9 Ca -0.04 -0.09 0.13 0.00 -0.01 0.00 0.00 64.34 64.33 1x4o n VAL 9 Cb 0.43 -1.74 -0.05 0.00 -0.91 0.00 0.00 33.84 31.58 1x4o n VAL 9 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1x4o n SER 10 N -3.67 -6.21 -4.81 4.52 7.64 -1.26 -4.84 113.62 104.99 1x4o n SER 10 Ca -0.22 0.71 -0.30 0.00 1.01 0.00 0.00 58.87 60.07 1x4o n SER 10 Cb 0.59 -3.75 0.09 0.00 -1.01 0.00 0.00 64.21 60.13 1x4o n SER 10 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1x4o s PRO 11 N -3.09 2.16 0.00 1.43 0.04 -1.26 -4.79 135.00 129.50 1x4o s PRO 11 Ca 0.00 0.67 0.00 0.00 0.04 0.00 0.00 61.00 61.71 1x4o s PRO 11 Cb 0.00 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.62 1x4o s PRO 11 CO 0.00 -1.57 0.00 -0.35 0.04 0.00 0.00 177.00 175.12 1x4o n PRO 12 N -3.40 -0.12 -0.08 0.56 -0.04 -1.26 -4.94 135.00 125.70 1x4o n PRO 12 Ca 0.07 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.39 1x4o n PRO 12 Cb 0.56 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.95 1x4o n PRO 12 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x4o n GLU 13 N -0.94 0.37 -2.22 0.54 1.02 -1.26 -4.90 120.64 113.25 1x4o n GLU 13 Ca 0.00 0.12 -0.42 0.00 -0.02 0.00 0.00 57.16 56.85 1x4o n GLU 13 Cb 0.00 -1.20 -0.03 0.00 -0.02 0.00 0.00 31.44 30.19 1x4o n GLU 13 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1x4o s ASP 14 N -6.01 5.96 0.14 1.62 1.11 -1.26 -4.87 116.67 113.36 1x4o s ASP 14 Ca -0.22 0.67 -0.21 0.00 0.18 0.00 0.00 52.55 52.96 1x4o s ASP 14 Cb 0.07 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.53 1x4o s ASP 14 CO 0.33 -1.77 1.67 -0.33 1.18 0.00 0.00 175.17 176.24 1x4o h GLU 15 N 12.14 -0.14 -1.51 8.23 5.08 -2.00 0.80 114.58 137.19 1x4o h GLU 15 Ca -0.28 0.01 0.44 0.00 -1.00 0.00 0.00 59.36 58.53 1x4o h GLU 15 Cb 1.13 0.03 -0.07 0.00 0.50 0.00 0.00 28.75 30.34 1x4o h GLU 15 CO 1.13 -0.09 1.07 0.93 -1.00 0.00 0.00 179.01 181.04 1x4o h GLU 16 N -0.14 0.03 0.13 2.33 5.08 -2.00 0.28 114.58 120.29 1x4o h GLU 16 Ca 0.12 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1x4o h GLU 16 Cb 0.31 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1x4o h GLU 16 CO -0.28 0.02 -0.06 0.00 -1.00 0.00 0.00 179.01 177.69 1x4o h ALA 17 N 1.29 -0.18 -1.93 3.43 0.00 -1.26 -0.87 119.26 119.75 1x4o h ALA 17 Ca 0.75 -0.16 0.56 0.00 0.00 0.00 0.00 54.91 56.06 1x4o h ALA 17 Cb 2.86 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 20.64 1x4o h ALA 17 CO -0.08 -0.19 1.41 -0.22 0.00 0.00 0.00 179.25 180.17 1x4o h LYS 18 N -0.99 0.00 0.01 0.00 3.64 0.23 1.68 116.57 121.13 1x4o h LYS 18 Ca -0.02 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.21 1x4o h LYS 18 Cb 0.38 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 1x4o h LYS 18 CO 0.03 0.00 -0.80 -0.97 -2.27 0.00 0.00 179.45 175.44 1x4o h ASN 19 N 0.00 0.03 -0.27 4.20 -1.24 -1.28 -3.05 115.58 113.96 1x4o h ASN 19 Ca 0.92 -0.72 0.04 0.00 0.71 0.00 0.00 56.30 57.25 1x4o h ASN 19 Cb 3.72 -0.01 -0.04 0.00 0.73 0.00 0.00 38.32 42.72 1x4o h ASN 19 CO -0.01 1.32 0.04 -0.07 -1.29 0.00 0.00 177.43 177.42 1x4o h LEU 20 N -0.95 -0.01 0.17 0.34 3.38 0.29 0.13 115.31 118.66 1x4o h LEU 20 Ca -0.21 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1x4o h LEU 20 Cb 1.22 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1x4o h LEU 20 CO -0.11 0.03 -0.21 0.00 0.09 0.00 0.00 178.44 178.24 1x4o h ALA 21 N 1.21 -0.88 -0.49 1.53 0.00 0.17 0.18 119.26 120.98 1x4o h ALA 21 Ca 0.13 -0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.01 1x4o h ALA 21 Cb 0.14 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 18.35 1x4o h ALA 21 CO -0.18 -0.90 -0.35 1.49 0.00 0.00 0.00 179.25 179.31 1x4o h GLU 22 N -0.39 -0.08 -0.02 0.00 4.81 -1.40 0.43 114.58 117.94 1x4o h GLU 22 Ca -0.02 0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1x4o h GLU 22 Cb 0.35 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.74 1x4o h GLU 22 CO -0.04 -0.05 -0.02 0.87 -0.73 0.00 0.00 179.01 179.04 1x4o h LYS 23 N -0.08 -0.01 -1.36 1.92 1.57 -0.87 1.57 116.57 119.31 1x4o h LYS 23 Ca 0.08 0.00 0.48 0.00 -1.87 0.00 0.00 60.65 59.34 1x4o h LYS 23 Cb 0.29 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.46 1x4o h LYS 23 CO -0.50 -0.01 0.87 1.25 -0.57 0.00 0.00 179.45 180.49 1x4o h LEU 24 N -0.01 0.20 0.25 2.94 7.12 0.04 1.55 115.31 127.41 1x4o h LEU 24 Ca 0.00 0.16 -0.01 0.00 0.13 0.00 0.00 57.88 58.16 1x4o h LEU 24 Cb 0.02 0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.32 1x4o h LEU 24 CO -0.02 -0.28 -0.12 0.00 -0.13 0.00 0.00 178.44 177.89 1x4o h ALA 25 N 1.63 -0.48 -0.80 1.25 0.00 0.49 0.03 119.26 121.38 1x4o h ALA 25 Ca 0.88 -0.07 0.23 0.00 0.00 0.00 0.00 54.91 55.95 1x4o h ALA 25 Cb 2.81 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 20.70 1x4o h ALA 25 CO -0.49 -0.46 0.61 0.07 0.00 0.00 0.00 179.25 178.98 1x4o h ARG 26 N -0.73 0.00 0.28 0.00 -0.00 0.55 1.02 114.38 115.50 1x4o h ARG 26 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 59.93 1x4o h ARG 26 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.23 1x4o h ARG 26 CO 0.06 0.00 -0.13 0.35 -0.00 0.00 0.00 179.97 180.24 1x4o h PHE 27 N 0.00 -0.35 -0.92 4.08 3.57 0.20 -2.39 116.94 121.14 1x4o h PHE 27 Ca 0.38 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.88 1x4o h PHE 27 Cb 1.60 0.11 -0.05 0.00 2.79 0.00 0.00 35.95 40.40 1x4o h PHE 27 CO 0.00 -0.16 0.61 0.82 -2.23 0.00 0.00 178.31 177.35 1x4o h ILE 28 N -1.08 1.23 0.00 1.41 2.04 -0.04 0.21 117.51 121.28 1x4o h ILE 28 Ca -0.04 -0.42 -0.00 0.00 1.00 0.00 0.00 64.86 65.40 1x4o h ILE 28 Cb 0.34 -0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.31 1x4o h ILE 28 CO 0.06 0.23 -0.00 0.00 0.00 0.00 0.00 178.15 178.43 1x4o h ALA 29 N 1.43 1.01 -0.01 1.87 0.00 0.97 0.26 119.26 124.79 1x4o h ALA 29 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.25 1x4o h ALA 29 Cb -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1x4o h ALA 29 CO -0.08 0.01 -0.10 -3.47 0.00 0.00 0.00 179.25 175.61 1x4o n ASP 30 N -3.11 0.81 0.00 0.00 -0.08 0.70 -4.77 116.55 110.11 1x4o n ASP 30 Ca -0.01 -0.94 0.00 0.00 -1.51 0.00 0.00 54.79 52.33 1x4o n ASP 30 Cb 0.18 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.64 1x4o n ASP 30 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x4o n GLY 31 N 1.23 1.68 0.00 0.27 0.00 0.91 -5.07 105.19 104.21 1x4o n GLY 31 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 1.17 0.00 -0.02 0.00 -1.19 -4.95 105.19 105.21 1x4o n GLY 32 Ca 0.00 0.10 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 0.60 -0.10 1.61 -0.04 -1.26 -2.28 135.00 133.53 1x4o n PRO 33 Ca 0.00 0.03 -0.24 0.00 -0.04 0.00 0.00 63.50 63.24 1x4o n PRO 33 Cb 0.00 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 31.85 1x4o n PRO 33 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1x4o n GLU 34 N -1.10 0.62 -0.20 0.54 1.02 -1.26 -4.09 120.64 116.17 1x4o n GLU 34 Ca 0.15 0.35 -0.09 0.00 -0.02 0.00 0.00 57.16 57.56 1x4o n GLU 34 Cb 0.12 -1.62 0.02 0.00 -0.02 0.00 0.00 31.44 29.94 1x4o n GLU 34 CO 0.00 0.00 0.00 -0.24 1.18 0.00 0.00 177.13 178.07 1x4o h VAL 35 N -0.68 1.26 0.00 2.62 3.04 -1.88 -1.23 116.25 119.37 1x4o h VAL 35 Ca -0.52 -0.98 0.00 0.00 -1.01 0.00 0.00 66.70 64.19 1x4o h VAL 35 Cb 1.62 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 31.70 1x4o h VAL 35 CO -0.22 0.35 0.05 -1.84 -1.01 0.00 0.00 177.57 174.90 1x4o n GLU 36 N -4.34 0.11 -0.03 4.17 0.28 -0.97 0.14 120.64 120.00 1x4o n GLU 36 Ca 0.02 0.61 -0.03 0.00 -0.16 0.00 0.00 57.16 57.60 1x4o n GLU 36 Cb 0.27 -1.93 -0.01 0.00 1.43 0.00 0.00 31.44 31.20 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 -2.13 0.66 -0.36 3.84 -1.04 -0.53 -3.09 114.28 111.63 1x4o n THR 37 Ca -0.01 0.36 -0.01 0.00 -2.04 0.00 0.00 64.05 62.35 1x4o n THR 37 Cb 0.08 -1.91 0.12 0.00 -1.82 0.00 0.00 70.33 66.80 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 -0.46 1.20 0.02 12.58 5.03 -1.18 1.54 117.51 136.24 1x4o h ILE 38 Ca 0.00 -0.43 -0.00 0.00 -0.12 0.00 0.00 64.86 64.31 1x4o h ILE 38 Cb 0.29 -0.17 0.00 0.00 -3.03 0.00 0.00 36.82 33.90 1x4o h ILE 38 CO 0.00 0.23 -0.01 0.00 -0.68 0.00 0.00 178.15 177.69 1x4o h ALA 39 N 1.38 -0.03 0.40 1.87 0.00 0.93 -0.55 119.26 123.26 1x4o h ALA 39 Ca 0.37 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.20 1x4o h ALA 39 Cb -0.06 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1x4o h ALA 39 CO -0.10 -0.46 -0.19 -0.07 0.00 0.00 0.00 179.25 178.42 1x4o h LEU 40 N -0.14 -0.45 -1.52 0.00 3.38 -1.33 0.34 115.31 115.58 1x4o h LEU 40 Ca -0.00 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 57.94 1x4o h LEU 40 Cb 0.13 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1x4o h LEU 40 CO 0.00 -0.12 0.62 -0.61 0.09 0.00 0.00 178.44 178.43 1x4o h GLN 41 N -0.82 0.00 0.00 1.13 4.15 0.22 0.21 115.11 120.00 1x4o h GLN 41 Ca -0.05 0.00 -0.15 0.00 0.77 0.00 0.00 58.65 59.21 1x4o h GLN 41 Cb 0.54 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.21 1x4o h GLN 41 CO 0.09 0.00 -0.97 -0.91 -1.93 0.00 0.00 178.83 175.11 1x4o h ASN 42 N 0.00 0.00 -1.08 -0.69 2.35 -0.58 -3.36 115.58 112.22 1x4o h ASN 42 Ca 0.14 -0.37 0.30 0.00 -0.55 0.00 0.00 56.30 55.82 1x4o h ASN 42 Cb 1.38 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.67 1x4o h ASN 42 CO -0.00 1.24 0.73 0.78 -1.65 0.00 0.00 177.43 178.53 1x4o h ASN 43 N -1.00 0.27 -0.54 5.81 -0.26 0.21 0.15 115.58 120.22 1x4o h ASN 43 Ca -0.23 0.05 0.11 0.00 -0.56 0.00 0.00 56.30 55.67 1x4o h ASN 43 Cb 1.04 0.01 -0.11 0.00 -1.06 0.00 0.00 38.32 38.20 1x4o h ASN 43 CO -0.14 0.04 -0.21 0.03 -1.06 0.00 0.00 177.43 176.09 1x4o h ARG 44 N 0.23 -0.08 -0.13 0.81 3.08 -0.85 -0.62 114.38 116.82 1x4o h ARG 44 Ca 0.58 0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.64 1x4o h ARG 44 Cb 1.79 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 31.85 1x4o h ARG 44 CO -0.19 -0.05 0.08 0.93 -1.07 0.00 0.00 179.97 179.67 1x4o h GLU 45 N -0.08 0.18 -6.82 0.04 5.08 -0.88 -3.42 114.58 108.68 1x4o h GLU 45 Ca 0.25 -0.02 -0.52 0.00 -1.00 0.00 0.00 59.36 58.07 1x4o h GLU 45 Cb 0.47 -0.04 0.06 0.00 0.50 0.00 0.00 28.75 29.74 1x4o h GLU 45 CO -0.60 0.16 0.67 -0.80 -1.00 0.00 0.00 179.01 177.44 1x4o s ASN 46 N -5.36 6.77 -0.21 1.42 0.01 -0.24 -4.94 114.94 112.38 1x4o s ASN 46 Ca -0.13 2.64 -0.16 0.00 -0.71 0.00 0.00 52.86 54.50 1x4o s ASN 46 Cb 0.07 -2.64 -0.19 0.00 0.41 0.00 0.00 41.25 38.91 1x4o s ASN 46 CO 0.68 -0.57 0.09 0.00 -1.51 0.00 0.00 177.10 175.79 1x4o n GLN 47 N 1.43 0.61 -0.33 -0.60 6.02 -1.26 -4.22 117.38 119.03 1x4o n GLN 47 Ca 0.02 0.43 0.25 0.00 -0.01 0.00 0.00 57.00 57.69 1x4o n GLN 47 Cb 0.42 -1.67 0.48 0.00 1.02 0.00 0.00 30.24 30.48 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 -0.47 1.82 0.00 -1.58 0.00 -1.92 -1.11 119.26 116.01 1x4o h ALA 48 Ca -0.46 0.28 -0.41 0.00 0.00 0.00 0.00 54.91 54.32 1x4o h ALA 48 Cb 1.55 0.38 0.01 0.00 0.00 0.00 0.00 17.79 19.72 1x4o h ALA 48 CO -0.20 -0.78 2.43 1.19 0.00 0.00 0.00 179.25 181.89 1x4o n PHE 49 N -5.29 1.40 0.33 0.00 3.72 -1.26 -4.16 117.46 112.19 1x4o n PHE 49 Ca 0.32 -2.12 0.11 0.00 -0.05 0.00 0.00 57.45 55.72 1x4o n PHE 49 Cb 1.07 -1.83 0.00 0.00 -0.94 0.00 0.00 39.48 37.78 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 3.71 0.61 0.01 4.37 3.41 -0.42 -3.86 113.62 121.44 1x4o n SER 50 Ca 0.52 0.03 0.06 0.00 -0.26 0.00 0.00 58.87 59.21 1x4o n SER 50 Cb 0.27 0.80 0.27 0.00 -0.26 0.00 0.00 64.21 65.29 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 -2.25 0.04 0.11 7.33 1.16 -1.26 -0.17 117.46 122.42 1x4o n PHE 51 Ca 0.01 0.02 -0.17 0.00 -1.87 0.00 0.00 57.45 55.43 1x4o n PHE 51 Cb 0.49 -0.53 -0.13 0.00 -1.61 0.00 0.00 39.48 37.70 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 0.49 0.00 5.98 3.38 -1.92 -2.72 115.31 120.51 1x4o h LEU 52 Ca 0.00 -0.51 0.00 0.00 0.09 0.00 0.00 57.88 57.46 1x4o h LEU 52 Cb 0.21 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1x4o h LEU 52 CO 0.00 1.39 -0.73 -1.22 0.09 0.00 0.00 178.44 177.97 1x4o n TYR 53 N -3.58 0.18 -1.45 1.13 4.01 -0.78 -4.88 117.16 111.79 1x4o n TYR 53 Ca -0.09 0.08 -0.48 0.00 -0.16 0.00 0.00 57.90 57.24 1x4o n TYR 53 Cb 1.02 -0.48 -0.08 0.00 -0.31 0.00 0.00 39.34 39.50 1x4o n TYR 53 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1x4o n ASP 54 N -4.14 1.91 -0.03 7.72 8.00 0.77 -4.81 116.55 125.97 1x4o n ASP 54 Ca -0.10 0.29 -0.15 0.00 0.71 0.00 0.00 54.79 55.54 1x4o n ASP 54 Cb 0.38 -1.25 -0.11 0.00 -0.02 0.00 0.00 41.12 40.12 1x4o n ASP 54 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1x4o h PRO 55 N 13.07 0.15 -1.43 -0.24 0.13 -1.87 -3.16 132.00 138.64 1x4o h PRO 55 Ca -0.24 -0.14 0.42 0.00 -0.87 0.00 0.00 66.00 65.17 1x4o h PRO 55 Cb 1.32 0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.41 1x4o h PRO 55 CO 1.08 0.86 1.01 -0.91 -0.23 0.00 0.00 178.00 179.80 1x4o h ASN 56 N -0.51 0.08 -2.57 1.44 2.35 -1.98 -3.36 115.58 111.02 1x4o h ASN 56 Ca -0.02 0.03 -0.56 0.00 -0.55 0.00 0.00 56.30 55.19 1x4o h ASN 56 Cb 0.92 0.02 -0.03 0.00 0.05 0.00 0.00 38.32 39.28 1x4o h ASN 56 CO 0.04 -0.02 1.28 -0.55 -1.65 0.00 0.00 177.43 176.53 1x4o s SER 57 N -4.69 5.79 0.43 5.81 0.15 -1.20 -4.83 113.70 115.17 1x4o s SER 57 Ca -0.06 1.13 0.30 0.00 0.70 0.00 0.00 55.95 58.02 1x4o s SER 57 Cb 0.25 -2.53 1.45 0.00 -1.71 0.00 0.00 66.02 63.49 1x4o s SER 57 CO 0.84 -1.82 1.59 1.56 1.20 0.00 0.00 173.24 176.61 1x4o h GLN 58 N 13.20 0.03 -0.41 5.44 1.08 -1.88 0.28 115.11 132.85 1x4o h GLN 58 Ca -0.32 -0.00 0.07 0.00 -1.45 0.00 0.00 58.65 56.94 1x4o h GLN 58 Cb 1.17 -0.01 -0.09 0.00 -0.05 0.00 0.00 27.48 28.50 1x4o h GLN 58 CO 1.06 0.02 -0.45 0.78 -0.95 0.00 0.00 178.83 179.29 1x4o h GLY 59 N 0.04 -0.64 -0.76 3.46 0.00 -1.87 0.17 103.07 103.46 1x4o h GLY 59 Ca 0.86 0.58 0.19 0.00 0.00 0.00 0.00 47.33 48.96 1x4o h GLY 59 CO -0.49 -0.17 -0.17 -1.82 0.00 0.00 0.00 176.54 173.89 1x4o h TYR 60 N -0.34 -0.38 -0.49 5.60 3.20 -0.10 1.11 116.97 125.57 1x4o h TYR 60 Ca 0.13 0.08 -0.01 0.00 3.14 0.00 0.00 58.73 62.06 1x4o h TYR 60 Cb 0.59 0.31 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 1x4o h TYR 60 CO -0.65 -0.38 0.26 0.00 -1.64 0.00 0.00 178.16 175.76 1x4o h ARG 61 N 0.01 0.69 -0.14 1.82 3.08 -1.13 0.12 114.38 118.83 1x4o h ARG 61 Ca 0.45 -0.09 -0.06 0.00 0.07 0.00 0.00 59.98 60.35 1x4o h ARG 61 Cb 0.72 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 1x4o h ARG 61 CO -0.89 0.55 -0.19 -0.92 -1.07 0.00 0.00 179.97 177.45 1x4o h TYR 62 N 0.65 0.25 -0.24 3.04 5.03 0.20 -1.04 116.97 124.86 1x4o h TYR 62 Ca 0.17 -0.04 -0.18 0.00 2.58 0.00 0.00 58.73 61.26 1x4o h TYR 62 Cb 0.07 -0.07 0.00 0.00 1.55 0.00 0.00 36.73 38.29 1x4o h TYR 62 CO -0.01 0.42 -0.56 -0.92 -1.32 0.00 0.00 178.16 175.77 1x4o h TYR 63 N 0.22 1.02 -0.47 -3.82 3.20 0.16 -2.86 116.97 114.42 1x4o h TYR 63 Ca 0.04 -0.39 -0.11 0.00 3.14 0.00 0.00 58.73 61.41 1x4o h TYR 63 Cb 0.46 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1x4o h TYR 63 CO 0.01 1.20 -0.16 0.00 -1.64 0.00 0.00 178.16 177.57 1x4o h ARG 64 N 0.55 0.90 -0.06 1.82 2.47 -0.68 -1.82 114.38 117.57 1x4o h ARG 64 Ca -0.00 -0.34 0.03 0.00 -1.26 0.00 0.00 59.98 58.40 1x4o h ARG 64 Cb 1.17 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 29.41 1x4o h ARG 64 CO 0.12 0.99 -0.10 0.37 0.56 0.00 0.00 179.97 181.91 1x4o h GLN 65 N 0.80 -0.15 -0.68 0.04 4.15 -1.17 0.49 115.11 118.59 1x4o h GLN 65 Ca 0.12 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.53 1x4o h GLN 65 Cb 0.69 0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.38 1x4o h GLN 65 CO 0.05 -0.10 0.37 0.87 -1.93 0.00 0.00 178.83 178.09 1x4o h LYS 66 N -0.15 0.95 -0.21 1.69 1.79 -1.42 0.92 116.57 120.13 1x4o h LYS 66 Ca 0.06 -0.10 0.03 0.00 -2.18 0.00 0.00 60.65 58.45 1x4o h LYS 66 Cb 0.23 -0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 30.67 1x4o h LYS 66 CO -0.15 0.70 0.05 1.25 -1.08 0.00 0.00 179.45 180.23 1x4o h LEU 67 N 0.96 0.03 -0.18 2.94 5.85 -0.39 0.18 115.31 124.70 1x4o h LEU 67 Ca 0.24 0.03 -0.15 0.00 0.84 0.00 0.00 57.88 58.85 1x4o h LEU 67 Cb 0.04 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.10 1x4o h LEU 67 CO -0.04 0.05 -0.46 -0.78 -0.34 0.00 0.00 178.44 176.87 1x4o h ASP 68 N 0.14 0.71 -0.17 1.25 3.58 -0.32 -0.53 116.42 121.08 1x4o h ASP 68 Ca 0.10 -0.58 0.05 0.00 0.42 0.00 0.00 57.03 57.02 1x4o h ASP 68 Cb 0.08 -0.21 -0.07 0.00 1.72 0.00 0.00 39.33 40.86 1x4o h ASP 68 CO -0.12 1.16 -0.40 -0.08 -2.88 0.00 0.00 179.24 176.92 1x4o h GLU 69 N 0.29 -0.43 -0.36 0.28 4.57 0.13 -2.17 114.58 116.89 1x4o h GLU 69 Ca -0.01 0.03 -0.06 0.00 -1.18 0.00 0.00 59.36 58.15 1x4o h GLU 69 Cb 1.08 0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.75 1x4o h GLU 69 CO 0.10 -0.29 0.01 0.74 -1.18 0.00 0.00 179.01 178.39 1x4o h PHE 70 N -0.45 0.68 0.00 0.92 0.04 -0.71 -3.31 116.94 114.12 1x4o h PHE 70 Ca 0.09 -0.12 -0.64 0.00 2.80 0.00 0.00 57.97 60.10 1x4o h PHE 70 Cb 0.60 -0.18 0.02 0.00 2.20 0.00 0.00 35.95 38.59 1x4o h PHE 70 CO -0.49 0.72 2.68 0.54 -0.60 0.00 0.00 178.31 181.17 1x4o n ARG 71 N -4.51 2.10 0.00 1.51 1.74 -0.21 -4.76 116.66 112.54 1x4o n ARG 71 Ca -0.02 -2.06 0.00 0.00 -0.77 0.00 0.00 57.85 55.01 1x4o n ARG 71 Cb 0.27 -2.98 0.00 0.00 -1.02 0.00 0.00 32.46 28.73 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 6.24 0.00 -1.55 5.56 5.02 -1.24 -4.44 118.16 127.75 1x4o n LYS 72 Ca 0.51 0.79 -0.60 0.00 -2.02 0.00 0.00 58.31 56.99 1x4o n LYS 72 Cb 0.36 -1.34 -0.08 0.00 -0.02 0.00 0.00 35.03 33.95 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 -2.28 0.32 0.00 4.39 7.64 -1.26 -4.71 113.62 117.73 1x4o n SER 73 Ca 0.00 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1x4o n SER 73 Cb 0.00 -0.93 0.00 0.00 -1.01 0.00 0.00 64.21 62.27 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 2.05 0.55 0.13 0.23 0.00 -1.26 -4.96 105.19 101.93 1x4o n GLY 74 Ca 0.22 -1.71 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 1x4o n GLY 74 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4o h PRO 75 N 1.82 -0.20 -5.27 1.61 0.13 -1.93 -3.49 132.00 124.68 1x4o h PRO 75 Ca 0.00 0.01 -0.00 0.00 -0.87 0.00 0.00 66.00 65.14 1x4o h PRO 75 Cb 0.00 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.17 1x4o h PRO 75 CO 0.00 0.17 -0.57 0.43 -0.23 0.00 0.00 178.00 177.81 1x4o n SER 76 N -4.89 -7.98 -4.78 1.44 7.64 -1.26 -4.90 113.62 98.89 1x4o n SER 76 Ca -0.06 0.66 -0.41 0.00 1.01 0.00 0.00 58.87 60.06 1x4o n SER 76 Cb 0.23 -5.39 -0.01 0.00 -1.01 0.00 0.00 64.21 58.03 1x4o n SER 76 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1x4o s SER 77 N -2.48 6.44 0.00 6.43 0.15 -1.26 -5.24 113.70 117.74 1x4o s SER 77 Ca 0.22 2.97 0.00 0.00 0.70 0.00 0.00 55.95 59.83 1x4o s SER 77 Cb -0.06 -2.66 0.00 0.00 -1.71 0.00 0.00 66.02 61.59 1x4o s SER 77 CO 0.77 -0.80 0.00 0.61 1.20 0.00 0.00 173.24 175.02