#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x4o s SER 2 N 0.00 -0.74 -0.32 1.61 1.04 -1.26 -5.11 113.70 108.92 1x4o s SER 2 Ca 0.00 0.60 -0.09 0.00 0.48 0.00 0.00 55.95 56.93 1x4o s SER 2 Cb 0.00 1.68 0.20 0.00 0.10 0.00 0.00 66.02 67.99 1x4o s SER 2 CO 0.00 -0.14 1.08 -0.44 0.98 0.00 0.00 173.24 174.72 1x4o s SER 3 N 2.81 -0.27 0.26 7.02 0.01 -1.26 -5.14 113.70 117.13 1x4o s SER 3 Ca 0.04 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 56.82 1x4o s SER 3 Cb -0.11 0.34 -0.14 0.00 0.21 0.00 0.00 66.02 66.33 1x4o s SER 3 CO -0.15 -0.02 1.23 0.61 0.41 0.00 0.00 173.24 175.32 1x4o n GLY 4 N 3.38 0.33 3.58 3.44 0.00 -1.26 -4.81 105.19 109.85 1x4o n GLY 4 Ca 0.07 0.43 -0.41 0.00 0.00 0.00 0.00 46.02 46.11 1x4o n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1x4o s SER 5 N -0.09 5.39 -0.28 1.61 1.04 -1.26 -4.89 113.70 115.21 1x4o s SER 5 Ca 0.65 1.28 -0.16 0.00 0.48 0.00 0.00 55.95 58.19 1x4o s SER 5 Cb -0.69 -2.52 0.11 0.00 0.10 0.00 0.00 66.02 63.02 1x4o s SER 5 CO 0.55 -2.11 0.82 -0.44 0.98 0.00 0.00 173.24 173.03 1x4o s SER 6 N 8.21 -0.75 0.00 7.02 0.01 -1.26 -5.16 113.70 121.77 1x4o s SER 6 Ca 0.87 1.20 0.00 0.00 1.31 0.00 0.00 55.95 59.33 1x4o s SER 6 Cb -0.23 1.31 0.00 0.00 0.21 0.00 0.00 66.02 67.31 1x4o s SER 6 CO 0.31 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1x4o n GLY 7 N 4.05 3.37 3.35 3.44 0.00 -1.26 -4.98 105.19 113.16 1x4o n GLY 7 Ca -0.19 -1.91 -0.46 0.00 0.00 0.00 0.00 46.02 43.46 1x4o n GLY 7 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1x4o s LYS 8 N -3.13 3.26 -0.59 1.61 2.36 -1.26 -5.01 119.74 116.98 1x4o s LYS 8 Ca 0.00 -1.84 -0.27 0.00 -2.55 0.00 0.00 55.97 51.31 1x4o s LYS 8 Cb 0.00 -4.39 0.03 0.00 -1.05 0.00 0.00 37.83 32.42 1x4o s LYS 8 CO 0.00 -1.42 1.15 0.08 1.55 0.00 0.00 175.35 176.71 1x4o s VAL 9 N 1.57 4.06 0.41 4.02 1.01 -1.26 -5.00 120.40 125.21 1x4o s VAL 9 Ca 0.13 0.75 0.08 0.00 0.00 0.00 0.00 61.98 62.94 1x4o s VAL 9 Cb -0.20 -4.71 -0.03 0.00 0.00 0.00 0.00 36.38 31.44 1x4o s VAL 9 CO -0.01 -1.34 0.29 -0.94 0.00 0.00 0.00 175.10 173.10 1x4o s SER 10 N 3.00 4.82 0.70 3.32 1.04 -1.26 -4.98 113.70 120.34 1x4o s SER 10 Ca 0.40 -0.85 -0.11 0.00 0.48 0.00 0.00 55.95 55.87 1x4o s SER 10 Cb -0.08 -0.56 0.01 0.00 0.10 0.00 0.00 66.02 65.48 1x4o s SER 10 CO 0.24 -0.58 1.06 -2.16 0.98 0.00 0.00 173.24 172.77 1x4o s PRO 11 N -4.03 2.88 1.03 4.02 0.04 -1.26 -4.33 135.00 133.35 1x4o s PRO 11 Ca 0.45 0.93 -0.17 0.00 0.04 0.00 0.00 61.00 62.24 1x4o s PRO 11 Cb -0.01 -1.99 0.25 0.00 0.04 0.00 0.00 34.50 32.80 1x4o s PRO 11 CO 0.26 -1.13 1.14 -0.35 0.04 0.00 0.00 177.00 176.95 1x4o n PRO 12 N -3.15 -2.10 -0.10 0.56 -0.04 -1.26 -5.01 135.00 123.90 1x4o n PRO 12 Ca 0.07 -1.79 -0.19 0.00 -0.04 0.00 0.00 63.50 61.56 1x4o n PRO 12 Cb 0.54 -1.41 -0.07 0.00 -0.04 0.00 0.00 33.50 32.52 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 -4.13 0.42 -1.70 0.54 1.02 -1.26 -4.90 120.64 110.63 1x4o n GLU 13 Ca 0.15 0.17 -0.41 0.00 -0.02 0.00 0.00 57.16 57.04 1x4o n GLU 13 Cb 0.55 -1.23 -0.03 0.00 -0.02 0.00 0.00 31.44 30.71 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 -6.54 5.29 0.13 1.62 1.11 -1.26 -4.85 116.67 112.16 1x4o s ASP 14 Ca -0.27 1.50 -0.31 0.00 0.18 0.00 0.00 52.55 53.65 1x4o s ASP 14 Cb 0.10 -2.51 -0.08 0.00 1.07 0.00 0.00 42.92 41.50 1x4o s ASP 14 CO 0.36 -2.15 1.57 -0.08 1.18 0.00 0.00 175.17 176.05 1x4o h GLU 15 N 15.70 -0.50 -1.50 8.23 4.81 -1.99 0.24 114.58 139.57 1x4o h GLU 15 Ca -0.35 0.03 0.49 0.00 -0.13 0.00 0.00 59.36 59.41 1x4o h GLU 15 Cb 1.23 0.11 -0.12 0.00 0.63 0.00 0.00 28.75 30.60 1x4o h GLU 15 CO 1.04 -0.33 1.01 0.39 -0.73 0.00 0.00 179.01 180.38 1x4o n GLU 16 N -5.44 -0.03 0.01 1.92 -0.58 -1.26 0.96 120.64 116.23 1x4o n GLU 16 Ca -0.05 1.18 -0.09 0.00 -0.42 0.00 0.00 57.16 57.79 1x4o n GLU 16 Cb 0.37 -2.42 -0.07 0.00 -0.57 0.00 0.00 31.44 28.75 1x4o n GLU 16 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1x4o h ALA 17 N 1.40 -0.14 -1.34 0.62 0.00 -0.95 0.98 119.26 119.82 1x4o h ALA 17 Ca 0.88 -0.22 0.39 0.00 0.00 0.00 0.00 54.91 55.95 1x4o h ALA 17 Cb 3.02 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 20.81 1x4o h ALA 17 CO -0.34 -0.18 1.13 -0.22 0.00 0.00 0.00 179.25 179.65 1x4o h LYS 18 N -0.94 0.00 0.00 0.00 3.64 0.19 1.30 116.57 120.76 1x4o h LYS 18 Ca -0.01 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.17 1x4o h LYS 18 Cb 0.49 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.28 1x4o h LYS 18 CO 0.02 0.00 -1.13 -0.97 -2.27 0.00 0.00 179.45 175.11 1x4o h ASN 19 N 0.00 0.00 0.04 4.20 -1.24 -1.06 -3.25 115.58 114.26 1x4o h ASN 19 Ca 0.64 -0.44 0.03 0.00 0.71 0.00 0.00 56.30 57.23 1x4o h ASN 19 Cb 2.90 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 41.90 1x4o h ASN 19 CO -0.01 1.38 -0.31 -0.07 -1.29 0.00 0.00 177.43 177.13 1x4o h LEU 20 N -1.00 -0.90 -0.14 0.34 3.38 0.26 0.33 115.31 117.57 1x4o h LEU 20 Ca -0.29 0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.81 1x4o h LEU 20 Cb 1.18 0.36 -0.03 0.00 0.09 0.00 0.00 40.66 42.26 1x4o h LEU 20 CO -0.18 -0.38 -0.24 0.00 0.09 0.00 0.00 178.44 177.73 1x4o h ALA 21 N 0.24 -0.55 -0.07 1.53 0.00 0.12 0.75 119.26 121.28 1x4o h ALA 21 Ca 0.05 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.96 1x4o h ALA 21 Cb 0.55 0.85 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1x4o h ALA 21 CO -0.23 -0.65 -0.17 1.49 0.00 0.00 0.00 179.25 179.68 1x4o h GLU 22 N -0.20 -0.16 -0.49 0.00 4.81 -1.54 0.17 114.58 117.18 1x4o h GLU 22 Ca 0.03 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.31 1x4o h GLU 22 Cb 0.27 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.63 1x4o h GLU 22 CO -0.23 -0.11 -0.30 0.87 -0.73 0.00 0.00 179.01 178.51 1x4o h LYS 23 N -0.17 -0.01 -0.65 1.92 1.57 -0.07 1.40 116.57 120.56 1x4o h LYS 23 Ca 0.01 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1x4o h LYS 23 Cb 0.21 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.44 1x4o h LYS 23 CO -0.15 -0.01 -0.40 1.25 -0.57 0.00 0.00 179.45 179.56 1x4o h LEU 24 N -0.01 -1.47 0.10 2.94 7.12 0.91 0.60 115.31 125.49 1x4o h LEU 24 Ca 0.08 0.22 0.01 0.00 0.13 0.00 0.00 57.88 58.32 1x4o h LEU 24 Cb 0.22 0.65 -0.04 0.00 -0.53 0.00 0.00 40.66 40.95 1x4o h LEU 24 CO -0.46 -0.17 -0.50 0.00 -0.13 0.00 0.00 178.44 177.18 1x4o h ALA 25 N -0.01 -0.97 -0.99 1.25 0.00 0.13 0.68 119.26 119.36 1x4o h ALA 25 Ca 0.10 -0.10 0.29 0.00 0.00 0.00 0.00 54.91 55.20 1x4o h ALA 25 Cb 0.29 0.88 -0.18 0.00 0.00 0.00 0.00 17.79 18.78 1x4o h ALA 25 CO -0.62 -1.09 0.09 0.00 0.00 0.00 0.00 179.25 177.62 1x4o h ARG 26 N -0.70 0.01 0.40 0.00 2.47 0.36 1.53 114.38 118.45 1x4o h ARG 26 Ca -0.00 -0.00 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 1x4o h ARG 26 Cb 0.71 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.03 1x4o h ARG 26 CO -0.27 0.01 -0.19 0.35 0.56 0.00 0.00 179.97 180.42 1x4o h PHE 27 N 0.01 -0.49 -0.92 3.04 3.57 0.17 -2.65 116.94 119.66 1x4o h PHE 27 Ca 0.63 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 62.33 1x4o h PHE 27 Cb 1.34 0.16 -0.07 0.00 2.79 0.00 0.00 35.95 40.17 1x4o h PHE 27 CO -0.44 -0.18 0.61 0.82 -2.23 0.00 0.00 178.31 176.89 1x4o h ILE 28 N -1.01 0.65 0.00 1.41 2.04 0.26 1.39 117.51 122.25 1x4o h ILE 28 Ca -0.05 -0.13 -0.05 0.00 1.00 0.00 0.00 64.86 65.62 1x4o h ILE 28 Cb 0.53 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.83 1x4o h ILE 28 CO 0.09 0.07 -0.22 0.00 0.00 0.00 0.00 178.15 178.09 1x4o h ALA 29 N 1.61 1.38 0.00 1.87 0.00 0.21 -0.45 119.26 123.88 1x4o h ALA 29 Ca 0.49 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 1x4o h ALA 29 Cb 1.24 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1x4o h ALA 29 CO -0.19 0.28 -0.03 0.22 0.00 0.00 0.00 179.25 179.53 1x4o h ASP 30 N 0.00 0.00 0.00 0.00 3.58 0.22 -3.43 116.42 116.79 1x4o h ASP 30 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1x4o h ASP 30 Cb 0.47 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.52 1x4o h ASP 30 CO 0.03 0.03 0.00 0.61 -2.88 0.00 0.00 179.24 177.03 1x4o n GLY 31 N 0.55 0.45 0.00 -0.78 0.00 -0.19 -5.11 105.19 100.11 1x4o n GLY 31 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.93 0.00 -0.02 0.00 -1.15 -4.95 105.19 105.00 1x4o n GLY 32 Ca 0.00 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.27 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 -0.12 1.61 -0.04 -1.26 -2.59 135.00 133.22 1x4o n PRO 33 Ca 0.00 0.02 -0.24 0.00 -0.04 0.00 0.00 63.50 63.24 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 -1.09 0.57 -0.27 0.54 2.13 -1.26 -3.79 120.64 117.46 1x4o n GLU 34 Ca 0.16 0.41 -0.03 0.00 0.66 0.00 0.00 57.16 58.36 1x4o n GLU 34 Cb 0.12 -1.61 0.09 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 1.11 0.00 6.31 3.04 -1.89 0.33 116.25 124.15 1x4o h VAL 35 Ca -0.48 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 64.89 1x4o h VAL 35 Cb 1.39 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.76 1x4o h VAL 35 CO -0.29 0.17 0.00 -1.84 -1.01 0.00 0.00 177.57 174.60 1x4o n GLU 36 N -4.62 0.13 -0.08 4.17 0.28 -1.07 0.20 120.64 119.64 1x4o n GLU 36 Ca 0.09 0.45 -0.23 0.00 -0.16 0.00 0.00 57.16 57.31 1x4o n GLU 36 Cb 0.09 -1.79 -0.12 0.00 1.43 0.00 0.00 31.44 31.05 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 -2.05 1.60 -0.07 3.84 -1.04 0.80 -3.53 114.28 113.83 1x4o n THR 37 Ca 0.01 -0.35 -0.14 0.00 -2.04 0.00 0.00 64.05 61.53 1x4o n THR 37 Cb 0.15 -1.84 -0.12 0.00 -1.82 0.00 0.00 70.33 66.70 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 -0.56 1.63 -0.94 12.58 5.03 -0.26 -1.72 117.51 133.27 1x4o h ILE 38 Ca -0.48 -2.25 0.17 0.00 -0.12 0.00 0.00 64.86 62.17 1x4o h ILE 38 Cb 1.66 3.11 -0.08 0.00 -3.03 0.00 0.00 36.82 38.48 1x4o h ILE 38 CO -0.15 0.55 0.60 0.00 -0.68 0.00 0.00 178.15 178.47 1x4o h ALA 39 N -0.10 1.83 0.06 1.87 0.00 0.20 0.43 119.26 123.56 1x4o h ALA 39 Ca -0.02 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1x4o h ALA 39 Cb 0.96 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.65 1x4o h ALA 39 CO -0.01 -0.12 -0.03 -0.07 0.00 0.00 0.00 179.25 179.02 1x4o h LEU 40 N 0.69 -0.07 -1.64 0.00 3.38 -1.61 0.45 115.31 116.52 1x4o h LEU 40 Ca 0.50 0.00 0.37 0.00 0.09 0.00 0.00 57.88 58.84 1x4o h LEU 40 Cb 0.83 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.55 1x4o h LEU 40 CO -0.25 -0.01 1.12 -0.61 0.09 0.00 0.00 178.44 178.78 1x4o h GLN 41 N -0.17 0.00 0.00 1.13 4.15 -1.06 0.25 115.11 119.42 1x4o h GLN 41 Ca -0.01 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 1x4o h GLN 41 Cb 0.06 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.75 1x4o h GLN 41 CO 0.01 0.00 -0.14 -0.91 -1.93 0.00 0.00 178.83 175.86 1x4o h ASN 42 N 0.00 0.00 -1.55 -0.69 2.35 -0.12 -3.31 115.58 112.26 1x4o h ASN 42 Ca 0.60 -0.02 0.45 0.00 -0.55 0.00 0.00 56.30 56.79 1x4o h ASN 42 Cb 2.83 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 41.14 1x4o h ASN 42 CO -0.01 0.58 1.16 0.78 -1.65 0.00 0.00 177.43 178.29 1x4o h ASN 43 N -1.00 0.00 -0.95 5.81 2.35 0.30 0.16 115.58 122.25 1x4o h ASN 43 Ca -0.00 0.00 0.22 0.00 -0.55 0.00 0.00 56.30 55.97 1x4o h ASN 43 Cb 0.16 0.00 -0.18 0.00 0.05 0.00 0.00 38.32 38.35 1x4o h ASN 43 CO -0.00 0.00 -0.11 0.54 -1.65 0.00 0.00 177.43 176.20 1x4o n ARG 44 N -3.96 -0.08 -0.06 0.81 1.74 0.40 0.14 116.66 115.64 1x4o n ARG 44 Ca 0.34 1.45 -0.10 0.00 -0.77 0.00 0.00 57.85 58.77 1x4o n ARG 44 Cb 1.64 -2.23 -0.03 0.00 -1.02 0.00 0.00 32.46 30.82 1x4o n ARG 44 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1x4o h GLU 45 N 0.00 0.30 -7.00 5.56 5.08 -0.90 -3.42 114.58 114.20 1x4o h GLU 45 Ca 0.51 -0.03 -0.53 0.00 -1.00 0.00 0.00 59.36 58.31 1x4o h GLU 45 Cb 0.93 -0.06 0.10 0.00 0.50 0.00 0.00 28.75 30.22 1x4o h GLU 45 CO -0.93 0.24 0.61 -0.80 -1.00 0.00 0.00 179.01 177.13 1x4o s ASN 46 N -5.45 5.85 -0.23 1.42 -0.87 0.37 -4.96 114.94 111.07 1x4o s ASN 46 Ca -0.13 2.69 -0.18 0.00 -1.57 0.00 0.00 52.86 53.66 1x4o s ASN 46 Cb 0.08 -2.63 -0.15 0.00 -0.02 0.00 0.00 41.25 38.53 1x4o s ASN 46 CO 0.70 -1.17 -0.03 0.00 -2.57 0.00 0.00 177.10 174.04 1x4o n GLN 47 N -0.42 0.57 -0.34 -0.60 1.13 -1.26 -4.30 117.38 112.16 1x4o n GLN 47 Ca 0.07 0.45 0.18 0.00 -1.94 0.00 0.00 57.00 55.77 1x4o n GLN 47 Cb 0.44 -1.65 0.36 0.00 0.11 0.00 0.00 30.24 29.51 1x4o n GLN 47 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1x4o h ALA 48 N -0.72 1.40 0.00 -1.58 0.00 -1.93 -0.27 119.26 116.16 1x4o h ALA 48 Ca -0.44 0.32 -0.40 0.00 0.00 0.00 0.00 54.91 54.39 1x4o h ALA 48 Cb 1.35 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 19.67 1x4o h ALA 48 CO -0.27 -0.65 2.16 1.19 0.00 0.00 0.00 179.25 181.68 1x4o n PHE 49 N -5.43 1.29 -0.01 0.00 3.72 -1.26 -4.07 117.46 111.70 1x4o n PHE 49 Ca 0.26 -2.08 0.04 0.00 -0.05 0.00 0.00 57.45 55.62 1x4o n PHE 49 Cb 0.88 -1.83 -0.13 0.00 -0.94 0.00 0.00 39.48 37.46 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 3.51 0.30 0.16 4.37 2.88 -0.12 -4.05 113.62 120.67 1x4o n SER 50 Ca 0.52 0.13 0.11 0.00 -1.33 0.00 0.00 58.87 58.30 1x4o n SER 50 Cb 0.34 1.16 0.57 0.00 -0.75 0.00 0.00 64.21 65.53 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 -2.57 0.75 0.11 0.66 1.16 -1.26 -0.87 117.46 115.45 1x4o n PHE 51 Ca -0.12 0.37 -0.18 0.00 -1.87 0.00 0.00 57.45 55.66 1x4o n PHE 51 Cb 0.77 -1.10 -0.14 0.00 -1.61 0.00 0.00 39.48 37.39 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 0.52 0.00 5.98 3.38 -1.92 -3.23 115.31 120.05 1x4o h LEU 52 Ca 0.00 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 57.39 1x4o h LEU 52 Cb 0.06 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.64 1x4o h LEU 52 CO 0.00 1.45 -0.00 1.88 0.09 0.00 0.00 178.44 181.86 1x4o h TYR 53 N 0.09 -0.00 -2.92 1.13 0.05 -1.22 -3.43 116.97 110.67 1x4o h TYR 53 Ca -0.18 -0.00 -0.57 0.00 0.05 0.00 0.00 58.73 58.04 1x4o h TYR 53 Cb 2.03 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.73 1x4o h TYR 53 CO 0.08 0.84 1.09 -0.51 -1.05 0.00 0.00 178.16 178.61 1x4o s ASP 54 N -6.11 6.42 0.13 3.88 1.11 -0.17 -4.87 116.67 117.07 1x4o s ASP 54 Ca -0.16 1.40 -0.06 0.00 0.18 0.00 0.00 52.55 53.91 1x4o s ASP 54 Cb -0.02 -2.53 -0.09 0.00 1.07 0.00 0.00 42.92 41.34 1x4o s ASP 54 CO 0.59 -1.26 1.32 1.55 1.18 0.00 0.00 175.17 178.55 1x4o h PRO 55 N 10.46 0.51 -1.60 8.23 0.13 -1.84 -3.19 132.00 144.70 1x4o h PRO 55 Ca -0.31 -0.49 -0.38 0.00 -0.87 0.00 0.00 66.00 63.94 1x4o h PRO 55 Cb 1.13 0.13 -0.16 0.00 0.13 0.00 0.00 31.00 32.24 1x4o h PRO 55 CO 1.02 1.13 0.44 0.09 -0.23 0.00 0.00 178.00 180.45 1x4o n ASN 56 N -3.81 6.54 -4.81 1.44 3.02 -1.26 -4.63 115.26 111.76 1x4o n ASN 56 Ca -0.07 -3.14 -0.22 0.00 -0.03 0.00 0.00 54.58 51.13 1x4o n ASN 56 Cb 0.80 -1.09 -0.04 0.00 -0.61 0.00 0.00 39.78 38.83 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 0.10 5.31 0.12 6.41 0.15 -1.21 -5.03 113.70 119.56 1x4o s SER 57 Ca 0.39 -0.40 0.04 0.00 0.70 0.00 0.00 55.95 56.68 1x4o s SER 57 Cb 0.29 -1.16 -0.18 0.00 -1.71 0.00 0.00 66.02 63.26 1x4o s SER 57 CO -0.05 -0.17 1.27 -0.61 1.20 0.00 0.00 173.24 174.88 1x4o h GLN 58 N 1.44 0.09 -0.24 5.44 4.15 -1.90 -2.95 115.11 121.13 1x4o h GLN 58 Ca -0.46 -0.14 -0.18 0.00 0.77 0.00 0.00 58.65 58.64 1x4o h GLN 58 Cb 1.25 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.98 1x4o h GLN 58 CO 0.60 1.03 -0.55 0.78 -1.93 0.00 0.00 178.83 178.76 1x4o h GLY 59 N 2.47 0.81 0.75 2.39 0.00 -1.93 -2.82 103.07 104.74 1x4o h GLY 59 Ca -0.04 -0.94 -0.01 0.00 0.00 0.00 0.00 47.33 46.33 1x4o h GLY 59 CO 0.15 0.85 -0.12 -1.82 0.00 0.00 0.00 176.54 175.59 1x4o h TYR 60 N 0.56 -0.32 -0.17 5.60 3.20 -1.61 0.51 116.97 124.75 1x4o h TYR 60 Ca 0.01 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.92 1x4o h TYR 60 Cb 1.13 0.11 -0.07 0.00 1.54 0.00 0.00 36.73 39.44 1x4o h TYR 60 CO 0.06 -0.03 -0.45 0.00 -1.64 0.00 0.00 178.16 176.10 1x4o h ARG 61 N -0.60 -0.48 -0.43 1.82 3.08 -1.57 0.31 114.38 116.50 1x4o h ARG 61 Ca -0.04 0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 1x4o h ARG 61 Cb 0.43 0.11 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 1x4o h ARG 61 CO 0.06 -0.32 0.20 -0.92 -1.07 0.00 0.00 179.97 177.92 1x4o h TYR 62 N -0.49 0.63 0.10 3.04 5.03 -1.52 -2.94 116.97 120.82 1x4o h TYR 62 Ca 0.07 -0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.35 1x4o h TYR 62 Cb 0.64 -0.19 -0.03 0.00 1.55 0.00 0.00 36.73 38.70 1x4o h TYR 62 CO -0.53 0.53 -0.30 -0.92 -1.32 0.00 0.00 178.16 175.62 1x4o h TYR 63 N 0.56 -0.87 -0.98 -3.82 3.20 0.88 -2.35 116.97 113.58 1x4o h TYR 63 Ca 0.15 0.02 0.16 0.00 3.14 0.00 0.00 58.73 62.20 1x4o h TYR 63 Cb 0.14 0.37 -0.17 0.00 1.54 0.00 0.00 36.73 38.61 1x4o h TYR 63 CO -0.01 -0.35 -0.35 0.00 -1.64 0.00 0.00 178.16 175.82 1x4o h ARG 64 N -0.45 -0.01 -0.89 1.82 2.47 -0.43 0.52 114.38 117.42 1x4o h ARG 64 Ca -0.01 0.00 0.15 0.00 -1.26 0.00 0.00 59.98 58.87 1x4o h ARG 64 Cb 0.45 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 28.61 1x4o h ARG 64 CO -0.15 -0.00 -0.32 0.37 0.56 0.00 0.00 179.97 180.43 1x4o h GLN 65 N -0.01 -0.03 -0.23 0.04 4.15 -1.24 0.74 115.11 118.53 1x4o h GLN 65 Ca 0.38 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.80 1x4o h GLN 65 Cb 0.63 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 1x4o h GLN 65 CO -0.99 -0.02 0.15 0.87 -1.93 0.00 0.00 178.83 176.91 1x4o h LYS 66 N -0.03 0.31 -0.65 1.69 1.79 0.28 0.83 116.57 120.80 1x4o h LYS 66 Ca 0.36 -0.02 0.12 0.00 -2.18 0.00 0.00 60.65 58.92 1x4o h LYS 66 Cb 0.61 -0.07 -0.09 0.00 -1.58 0.00 0.00 32.23 31.11 1x4o h LYS 66 CO -0.91 0.23 0.20 1.25 -1.08 0.00 0.00 179.45 179.14 1x4o h LEU 67 N 0.30 0.13 -0.39 2.94 5.85 0.15 0.51 115.31 124.79 1x4o h LEU 67 Ca 0.08 0.10 -0.17 0.00 0.84 0.00 0.00 57.88 58.74 1x4o h LEU 67 Cb -0.00 0.11 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 1x4o h LEU 67 CO -0.02 0.06 -0.48 -0.78 -0.34 0.00 0.00 178.44 176.89 1x4o h ASP 68 N 0.34 0.90 0.02 1.25 1.82 0.78 0.33 116.42 121.86 1x4o h ASP 68 Ca 0.34 -0.45 0.02 0.00 -0.39 0.00 0.00 57.03 56.55 1x4o h ASP 68 Cb 0.49 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 40.22 1x4o h ASP 68 CO -0.38 1.23 -0.14 -0.08 -1.61 0.00 0.00 179.24 178.26 1x4o h GLU 69 N 0.65 -0.24 -0.07 0.28 4.57 0.29 0.15 114.58 120.22 1x4o h GLU 69 Ca 0.03 0.02 -0.05 0.00 -1.18 0.00 0.00 59.36 58.18 1x4o h GLU 69 Cb 1.07 0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 1x4o h GLU 69 CO 0.11 -0.16 -0.15 0.74 -1.18 0.00 0.00 179.01 178.37 1x4o h PHE 70 N -0.24 0.29 -0.38 0.92 0.04 -0.08 -3.27 116.94 114.23 1x4o h PHE 70 Ca 0.04 -0.11 0.08 0.00 2.80 0.00 0.00 57.97 60.78 1x4o h PHE 70 Cb 0.29 -0.05 -0.09 0.00 2.20 0.00 0.00 35.95 38.30 1x4o h PHE 70 CO -0.19 0.75 -0.29 0.00 -0.60 0.00 0.00 178.31 177.99 1x4o h ARG 71 N -0.25 -0.22 -3.50 1.51 3.08 -0.22 -3.01 114.38 111.77 1x4o h ARG 71 Ca 0.00 0.01 -0.78 0.00 0.07 0.00 0.00 59.98 59.28 1x4o h ARG 71 Cb 0.74 0.05 -0.29 0.00 0.08 0.00 0.00 29.97 30.55 1x4o h ARG 71 CO 0.03 -0.15 0.38 1.63 -1.07 0.00 0.00 179.97 180.80 1x4o n LYS 72 N -5.41 3.43 -4.10 0.04 5.02 0.53 -4.99 118.16 112.68 1x4o n LYS 72 Ca 0.01 -4.47 -0.08 0.00 -2.02 0.00 0.00 58.31 51.76 1x4o n LYS 72 Cb 0.32 -2.53 -0.10 0.00 -0.02 0.00 0.00 35.03 32.71 1x4o n LYS 72 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1x4o s SER 73 N 0.98 0.58 0.40 4.39 0.15 -1.14 -4.75 113.70 114.32 1x4o s SER 73 Ca 0.31 -1.00 0.00 0.00 0.70 0.00 0.00 55.95 55.95 1x4o s SER 73 Cb -0.09 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.41 1x4o s SER 73 CO -0.08 -0.58 0.00 0.61 1.20 0.00 0.00 173.24 174.39 1x4o n GLY 74 N 0.09 -0.49 3.80 9.45 0.00 -1.26 -4.70 105.19 112.08 1x4o n GLY 74 Ca -0.14 -0.46 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.26 3.61 -0.29 1.61 0.04 -1.26 -5.06 135.00 133.39 1x4o s PRO 75 Ca 0.00 1.26 -0.14 0.00 0.04 0.00 0.00 61.00 62.16 1x4o s PRO 75 Cb 0.00 -2.07 0.10 0.00 0.04 0.00 0.00 34.50 32.57 1x4o s PRO 75 CO 0.00 -0.58 0.68 -1.12 0.04 0.00 0.00 177.00 176.02 1x4o s SER 76 N -2.41 -1.01 0.14 6.66 0.01 -1.26 -5.17 113.70 110.66 1x4o s SER 76 Ca 0.65 1.52 -0.05 0.00 1.31 0.00 0.00 55.95 59.38 1x4o s SER 76 Cb -0.16 1.71 -0.02 0.00 0.21 0.00 0.00 66.02 67.76 1x4o s SER 76 CO 0.28 -0.23 0.15 -0.94 0.41 0.00 0.00 173.24 172.91 1x4o s SER 77 N 2.08 0.20 0.00 2.44 1.04 -1.26 -5.20 113.70 113.00 1x4o s SER 77 Ca -0.09 -1.02 0.00 0.00 0.48 0.00 0.00 55.95 55.33 1x4o s SER 77 Cb -0.07 0.35 0.00 0.00 0.10 0.00 0.00 66.02 66.40 1x4o s SER 77 CO -0.20 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 173.85