#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 -0.70 0.33 1.61 0.15 -1.26 -5.12 113.70 108.71 1x4o s SER 2 Ca 0.00 1.30 0.00 0.00 0.70 0.00 0.00 55.95 57.95 1x4o s SER 2 Cb 0.00 1.30 0.00 0.00 -1.71 0.00 0.00 66.02 65.61 1x4o s SER 2 CO 0.00 -0.28 0.00 -0.24 1.20 0.00 0.00 173.24 173.92 1x4o n SER 3 N 2.43 -8.04 0.00 5.45 2.88 -1.26 -5.07 113.62 110.01 1x4o n SER 3 Ca -0.14 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1x4o n SER 3 Cb 0.55 -3.94 0.00 0.00 -0.75 0.00 0.00 64.21 60.07 1x4o n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4o n GLY 4 N 0.19 3.34 3.72 0.46 0.00 -1.26 -5.10 105.19 106.54 1x4o n GLY 4 Ca 0.00 -0.43 -0.08 0.00 0.00 0.00 0.00 46.02 45.50 1x4o n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x4o s SER 5 N 0.00 -0.12 0.46 1.61 0.01 -1.26 -5.18 113.70 109.22 1x4o s SER 5 Ca 0.00 -0.83 0.08 0.00 1.31 0.00 0.00 55.95 56.51 1x4o s SER 5 Cb 0.00 0.67 0.01 0.00 0.21 0.00 0.00 66.02 66.91 1x4o s SER 5 CO 0.00 -1.28 0.49 -0.44 0.41 0.00 0.00 173.24 172.42 1x4o s SER 6 N -2.99 5.15 0.00 2.44 0.01 -1.26 -4.96 113.70 112.09 1x4o s SER 6 Ca 0.17 -0.75 0.00 0.00 1.31 0.00 0.00 55.95 56.68 1x4o s SER 6 Cb -0.03 -0.32 0.00 0.00 0.21 0.00 0.00 66.02 65.88 1x4o s SER 6 CO 0.09 -0.85 0.00 0.61 0.41 0.00 0.00 173.24 173.50 1x4o n GLY 7 N -1.76 0.86 3.03 3.44 0.00 -1.26 -5.14 105.19 104.36 1x4o n GLY 7 Ca 0.06 -0.76 -0.31 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.00 2.35 0.00 1.61 3.01 -1.26 -5.08 119.74 118.38 1x4o s LYS 8 Ca 0.00 -0.65 0.00 0.00 -1.01 0.00 0.00 55.97 54.31 1x4o s LYS 8 Cb 0.00 -2.23 0.00 0.00 -1.01 0.00 0.00 37.83 34.59 1x4o s LYS 8 CO 0.00 -0.27 0.00 1.33 0.51 0.00 0.00 175.35 176.92 1x4o n VAL 9 N 4.73 0.00 -4.39 3.17 0.24 -1.26 -5.19 118.33 115.63 1x4o n VAL 9 Ca -0.17 0.00 -0.20 0.00 -2.04 0.00 0.00 64.34 61.93 1x4o n VAL 9 Cb 0.49 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.76 1x4o n VAL 9 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1x4o s SER 10 N 0.46 2.37 0.88 -1.34 0.01 -1.26 -5.08 113.70 109.73 1x4o s SER 10 Ca 0.00 -1.22 -0.12 0.00 1.31 0.00 0.00 55.95 55.92 1x4o s SER 10 Cb 0.00 -0.09 0.12 0.00 0.21 0.00 0.00 66.02 66.26 1x4o s SER 10 CO 0.00 -0.44 1.13 -2.16 0.41 0.00 0.00 173.24 172.18 1x4o s PRO 11 N -3.80 1.40 0.73 12.44 0.04 -1.26 -4.27 135.00 140.27 1x4o s PRO 11 Ca 0.30 0.38 -0.12 0.00 0.04 0.00 0.00 61.00 61.60 1x4o s PRO 11 Cb 0.05 -1.86 0.18 0.00 0.04 0.00 0.00 34.50 32.91 1x4o s PRO 11 CO 0.11 -2.04 0.81 -0.35 0.04 0.00 0.00 177.00 175.57 1x4o n PRO 12 N -3.68 -1.63 -0.62 0.56 -0.04 -1.07 -4.90 135.00 123.63 1x4o n PRO 12 Ca 0.07 -1.26 0.06 0.00 -0.04 0.00 0.00 63.50 62.32 1x4o n PRO 12 Cb 0.58 -0.99 0.21 0.00 -0.04 0.00 0.00 33.50 33.26 1x4o n PRO 12 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1x4o n GLU 13 N -3.28 1.59 -3.62 0.54 2.13 -1.26 -4.95 120.64 111.79 1x4o n GLU 13 Ca 0.11 -3.31 -0.18 0.00 0.66 0.00 0.00 57.16 54.44 1x4o n GLU 13 Cb 0.39 -1.61 -0.15 0.00 0.27 0.00 0.00 31.44 30.34 1x4o n GLU 13 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1x4o s ASP 14 N -3.23 1.01 0.10 4.31 2.15 -1.26 -5.05 116.67 114.70 1x4o s ASP 14 Ca 0.38 0.14 -0.33 0.00 0.43 0.00 0.00 52.55 53.17 1x4o s ASP 14 Cb 0.37 0.29 -0.13 0.00 -0.30 0.00 0.00 42.92 43.15 1x4o s ASP 14 CO -0.07 -0.27 1.58 -0.08 -0.17 0.00 0.00 175.17 176.16 1x4o h GLU 15 N 8.35 -0.76 -1.63 4.34 4.81 -1.98 0.38 114.58 128.09 1x4o h GLU 15 Ca -0.14 0.05 0.50 0.00 -0.13 0.00 0.00 59.36 59.63 1x4o h GLU 15 Cb 1.13 0.17 -0.10 0.00 0.63 0.00 0.00 28.75 30.58 1x4o h GLU 15 CO 0.19 -0.50 1.13 0.93 -0.73 0.00 0.00 179.01 180.03 1x4o h GLU 16 N -0.78 0.03 0.00 1.92 4.39 -1.99 0.57 114.58 118.72 1x4o h GLU 16 Ca -0.01 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 1x4o h GLU 16 Cb 0.74 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.38 1x4o h GLU 16 CO -0.15 0.02 -0.27 0.00 -1.16 0.00 0.00 179.01 177.45 1x4o h ALA 17 N 1.29 0.05 -0.89 3.43 0.00 -1.45 -1.05 119.26 120.63 1x4o h ALA 17 Ca 0.86 -0.53 0.26 0.00 0.00 0.00 0.00 54.91 55.50 1x4o h ALA 17 Cb 3.15 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 21.07 1x4o h ALA 17 CO -0.18 0.17 0.92 -0.22 0.00 0.00 0.00 179.25 179.93 1x4o h LYS 18 N -1.00 0.00 0.00 0.00 3.64 0.41 1.16 116.57 120.77 1x4o h LYS 18 Ca -0.06 0.00 -0.26 0.00 -1.27 0.00 0.00 60.65 59.05 1x4o h LYS 18 Cb 0.81 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.59 1x4o h LYS 18 CO -0.04 0.00 -1.42 -1.71 -2.27 0.00 0.00 179.45 174.01 1x4o n ASN 19 N -3.56 1.87 0.15 4.20 5.15 0.32 -3.60 115.26 119.80 1x4o n ASN 19 Ca 0.19 0.41 -0.14 0.00 -0.60 0.00 0.00 54.58 54.44 1x4o n ASN 19 Cb 1.21 -0.95 -0.07 0.00 -0.53 0.00 0.00 39.78 39.44 1x4o n ASN 19 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1x4o h LEU 20 N -0.99 -0.95 -0.29 1.20 3.38 0.11 0.29 115.31 118.06 1x4o h LEU 20 Ca -0.39 0.10 0.03 0.00 0.09 0.00 0.00 57.88 57.71 1x4o h LEU 20 Cb 1.35 0.35 -0.06 0.00 0.09 0.00 0.00 40.66 42.39 1x4o h LEU 20 CO -0.24 -0.44 -0.38 0.00 0.09 0.00 0.00 178.44 177.47 1x4o h ALA 21 N -0.04 -0.63 -0.02 1.53 0.00 0.92 0.62 119.26 121.65 1x4o h ALA 21 Ca 0.01 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.93 1x4o h ALA 21 Cb 0.61 1.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.38 1x4o h ALA 21 CO -0.15 -0.81 -0.18 1.49 0.00 0.00 0.00 179.25 179.60 1x4o h GLU 22 N -0.27 -0.21 -0.31 0.00 4.22 -1.56 0.20 114.58 116.66 1x4o h GLU 22 Ca 0.05 0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.53 1x4o h GLU 22 Cb 0.40 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1x4o h GLU 22 CO -0.41 -0.14 -0.19 0.87 -2.18 0.00 0.00 179.01 176.96 1x4o h LYS 23 N -0.21 -0.01 -0.65 1.92 1.57 -0.03 1.52 116.57 120.67 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 0.24 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.47 1x4o h LYS 23 CO -0.13 -0.00 -0.40 1.25 -0.57 0.00 0.00 179.45 179.60 1x4o h LEU 24 N -0.01 -1.45 -0.09 2.94 7.12 0.49 0.76 115.31 125.07 1x4o h LEU 24 Ca 0.05 0.22 0.03 0.00 0.13 0.00 0.00 57.88 58.31 1x4o h LEU 24 Cb 0.13 0.64 -0.06 0.00 -0.53 0.00 0.00 40.66 40.84 1x4o h LEU 24 CO -0.30 -0.16 -0.50 0.00 -0.13 0.00 0.00 178.44 177.35 1x4o h ALA 25 N -0.01 -0.81 -0.84 1.25 0.00 0.12 0.50 119.26 119.46 1x4o h ALA 25 Ca 0.10 -0.05 0.19 0.00 0.00 0.00 0.00 54.91 55.15 1x4o h ALA 25 Cb 0.28 0.92 -0.16 0.00 0.00 0.00 0.00 17.79 18.83 1x4o h ALA 25 CO -0.62 -1.04 -0.11 0.00 0.00 0.00 0.00 179.25 177.47 1x4o h ARG 26 N -0.59 0.03 0.25 0.00 2.47 0.43 1.47 114.38 118.44 1x4o h ARG 26 Ca 0.04 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 1x4o h ARG 26 Cb 0.68 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.00 1x4o h ARG 26 CO -0.40 0.02 -0.12 0.35 0.56 0.00 0.00 179.97 180.38 1x4o h PHE 27 N 0.03 -0.31 -1.10 3.04 3.57 0.21 -2.33 116.94 120.05 1x4o h PHE 27 Ca 0.44 -0.01 0.32 0.00 3.53 0.00 0.00 57.97 62.25 1x4o h PHE 27 Cb 0.75 0.10 -0.12 0.00 2.79 0.00 0.00 35.95 39.47 1x4o h PHE 27 CO -0.57 -0.19 0.69 0.82 -2.23 0.00 0.00 178.31 176.83 1x4o h ILE 28 N -0.39 0.36 -0.95 1.41 2.04 0.53 1.45 117.51 121.96 1x4o h ILE 28 Ca -0.03 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 65.78 1x4o h ILE 28 Cb 0.25 0.03 -0.06 0.00 -0.74 0.00 0.00 36.82 36.30 1x4o h ILE 28 CO 0.06 0.06 0.61 0.00 0.00 0.00 0.00 178.15 178.87 1x4o h ALA 29 N 1.68 1.30 0.00 1.87 0.00 0.21 0.51 119.26 124.83 1x4o h ALA 29 Ca 0.69 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1x4o h ALA 29 Cb 1.81 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1x4o h ALA 29 CO -0.42 0.40 0.00 -0.25 0.00 0.00 0.00 179.25 178.99 1x4o n ASP 30 N -4.53 0.67 0.00 0.00 8.00 0.49 -4.55 116.55 116.63 1x4o n ASP 30 Ca 0.14 0.70 0.00 0.00 0.71 0.00 0.00 54.79 56.34 1x4o n ASP 30 Cb 0.16 -0.83 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 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 -0.31 0.51 0.00 0.44 0.00 0.18 -5.11 105.19 100.89 1x4o n GLY 31 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -1.00 0.00 -0.02 0.00 -1.04 -4.95 105.19 103.18 1x4o n GLY 32 Ca 0.00 0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.24 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 0.20 -0.08 1.61 -0.04 -1.26 -2.83 135.00 132.60 1x4o n PRO 33 Ca 0.00 0.09 -0.08 0.00 -0.04 0.00 0.00 63.50 63.47 1x4o n PRO 33 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 -1.37 0.47 -0.34 0.54 4.71 -1.26 -4.18 120.64 119.22 1x4o n GLU 34 Ca 0.09 0.53 0.17 0.00 -0.01 0.00 0.00 57.16 57.94 1x4o n GLU 34 Cb 0.21 -1.70 0.39 0.00 -1.01 0.00 0.00 31.44 29.32 1x4o n GLU 34 CO 0.00 0.00 0.00 -0.24 0.09 0.00 0.00 177.13 176.98 1x4o h VAL 35 N -1.00 0.61 0.00 2.62 3.04 -1.90 1.45 116.25 121.07 1x4o h VAL 35 Ca -0.07 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.41 1x4o h VAL 35 Cb 0.66 -0.06 0.00 0.00 -2.01 0.00 0.00 31.29 29.88 1x4o h VAL 35 CO -0.04 0.11 0.11 1.05 -1.01 0.00 0.00 177.57 177.79 1x4o h GLU 36 N 0.62 0.00 0.00 4.17 4.11 -1.70 1.46 114.58 123.24 1x4o h GLU 36 Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.03 1x4o h GLU 36 Cb 1.13 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1x4o h GLU 36 CO -0.39 0.00 -0.40 2.41 0.07 0.00 0.00 179.01 180.70 1x4o n THR 37 N -2.21 0.93 -0.31 -1.06 -1.04 0.49 -3.12 114.28 107.97 1x4o n THR 37 Ca -0.01 0.31 -0.05 0.00 -2.04 0.00 0.00 64.05 62.26 1x4o n THR 37 Cb 0.14 -2.08 0.08 0.00 -1.82 0.00 0.00 70.33 66.65 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 -0.65 1.25 -0.25 12.58 5.03 -1.16 1.47 117.51 135.77 1x4o h ILE 38 Ca 0.00 -0.62 -0.01 0.00 -0.12 0.00 0.00 64.86 64.12 1x4o h ILE 38 Cb 0.40 0.13 -0.01 0.00 -3.03 0.00 0.00 36.82 34.30 1x4o h ILE 38 CO 0.00 0.28 0.13 0.00 -0.68 0.00 0.00 178.15 177.88 1x4o h ALA 39 N 1.24 0.33 0.32 1.87 0.00 0.18 0.23 119.26 123.43 1x4o h ALA 39 Ca 0.29 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1x4o h ALA 39 Cb 0.04 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1x4o h ALA 39 CO -0.05 -0.13 -0.15 -0.07 0.00 0.00 0.00 179.25 178.84 1x4o h LEU 40 N 0.29 -0.36 -1.93 0.00 3.38 -1.37 -2.49 115.31 112.83 1x4o h LEU 40 Ca 0.09 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1x4o h LEU 40 Cb 0.08 0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1x4o h LEU 40 CO -0.01 0.06 0.28 -0.61 0.09 0.00 0.00 178.44 178.25 1x4o h GLN 41 N -0.87 0.00 0.22 1.13 4.15 0.21 1.52 115.11 121.47 1x4o h GLN 41 Ca -0.04 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.37 1x4o h GLN 41 Cb 0.52 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.22 1x4o h GLN 41 CO 0.07 0.00 -0.11 -0.91 -1.93 0.00 0.00 178.83 175.96 1x4o h ASN 42 N 0.00 -0.25 1.02 -0.69 2.35 -0.24 -3.30 115.58 114.47 1x4o h ASN 42 Ca 0.00 0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1x4o h ASN 42 Cb 0.57 0.07 -0.00 0.00 0.05 0.00 0.00 38.32 39.00 1x4o h ASN 42 CO 0.00 0.20 -0.10 -0.55 -1.65 0.00 0.00 177.43 175.33 1x4o h ASN 43 N -1.06 0.00 -0.81 5.81 7.08 -0.81 -2.94 115.58 122.86 1x4o h ASN 43 Ca -0.03 0.00 0.23 0.00 -3.08 0.00 0.00 56.30 53.42 1x4o h ASN 43 Cb 0.23 0.00 -0.03 0.00 -2.08 0.00 0.00 38.32 36.44 1x4o h ASN 43 CO 0.05 0.10 0.81 -0.09 -2.08 0.00 0.00 177.43 176.21 1x4o h ARG 44 N 0.00 0.00 0.24 4.14 1.12 0.20 0.96 114.38 121.04 1x4o h ARG 44 Ca -0.00 0.00 -0.32 0.00 -1.11 0.00 0.00 59.98 58.54 1x4o h ARG 44 Cb 0.63 0.00 0.04 0.00 -0.01 0.00 0.00 29.97 30.63 1x4o h ARG 44 CO 0.01 0.00 -1.42 0.93 -3.11 0.00 0.00 179.97 176.39 1x4o h GLU 45 N 0.00 0.54 -6.90 0.20 4.39 -1.66 -3.45 114.58 107.69 1x4o h GLU 45 Ca 0.38 -0.90 -0.46 0.00 0.34 0.00 0.00 59.36 58.72 1x4o h GLU 45 Cb 1.99 0.33 -0.02 0.00 -0.10 0.00 0.00 28.75 30.95 1x4o h GLU 45 CO -0.00 1.43 0.26 -0.80 -1.16 0.00 0.00 179.01 178.73 1x4o s ASN 46 N -7.54 6.97 -0.10 1.42 -0.87 0.33 -4.98 114.94 110.18 1x4o s ASN 46 Ca -0.09 1.59 0.15 0.00 -1.57 0.00 0.00 52.86 52.93 1x4o s ASN 46 Cb 0.04 -2.49 -0.24 0.00 -0.02 0.00 0.00 41.25 38.54 1x4o s ASN 46 CO 0.94 -0.24 0.45 1.67 -2.57 0.00 0.00 177.10 177.35 1x4o n GLN 47 N -0.25 0.65 -0.24 -0.60 7.27 -1.26 -4.27 117.38 118.68 1x4o n GLN 47 Ca 0.04 0.19 -0.01 0.00 0.07 0.00 0.00 57.00 57.29 1x4o n GLN 47 Cb 0.53 -1.69 0.06 0.00 2.41 0.00 0.00 30.24 31.54 1x4o n GLN 47 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1x4o h ALA 48 N 1.00 0.31 -0.12 1.69 0.00 -1.93 -2.94 119.26 117.26 1x4o h ALA 48 Ca -0.38 0.25 -0.57 0.00 0.00 0.00 0.00 54.91 54.20 1x4o h ALA 48 Cb 2.10 0.65 0.03 0.00 0.00 0.00 0.00 17.79 20.57 1x4o h ALA 48 CO 0.06 -0.50 1.98 1.19 0.00 0.00 0.00 179.25 181.98 1x4o n PHE 49 N -5.47 2.06 0.21 0.00 3.72 -1.26 -4.40 117.46 112.32 1x4o n PHE 49 Ca 0.08 -1.70 0.11 0.00 -0.05 0.00 0.00 57.45 55.89 1x4o n PHE 49 Cb 0.37 -1.91 -0.09 0.00 -0.94 0.00 0.00 39.48 36.91 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 9.19 0.40 0.00 4.37 3.41 -1.11 -3.98 113.62 125.90 1x4o n SER 50 Ca 0.48 -0.04 0.10 0.00 -0.26 0.00 0.00 58.87 59.16 1x4o n SER 50 Cb 0.42 1.30 0.56 0.00 -0.26 0.00 0.00 64.21 66.23 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 -2.24 0.00 -0.06 7.33 1.16 -1.26 -1.52 117.46 120.87 1x4o n PHE 51 Ca -0.01 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.38 1x4o n PHE 51 Cb 0.52 -0.15 -0.13 0.00 -1.61 0.00 0.00 39.48 38.11 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 -1.15 2.57 -0.04 5.98 4.77 -1.26 -3.16 117.00 124.73 1x4o n LEU 52 Ca 0.12 0.07 -0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1x4o n LEU 52 Cb 0.12 -0.90 -0.00 0.00 -2.33 0.00 0.00 43.42 40.31 1x4o n LEU 52 CO 0.13 0.85 0.01 1.88 -1.33 0.00 0.00 177.39 178.93 1x4o h TYR 53 N 0.04 -0.01 -1.68 -1.77 0.05 -1.68 -3.44 116.97 108.48 1x4o h TYR 53 Ca -0.49 -0.00 -0.61 0.00 0.05 0.00 0.00 58.73 57.68 1x4o h TYR 53 Cb 1.99 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 39.73 1x4o h TYR 53 CO 0.05 -0.01 1.48 -0.25 -1.05 0.00 0.00 178.16 178.38 1x4o n ASP 54 N -4.23 2.87 0.11 3.88 8.00 -0.57 -4.81 116.55 121.80 1x4o n ASP 54 Ca -0.00 0.25 -0.03 0.00 0.71 0.00 0.00 54.79 55.71 1x4o n ASP 54 Cb 0.00 -1.46 0.07 0.00 -0.02 0.00 0.00 41.12 39.71 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 14.34 0.00 -1.72 -0.24 0.13 -1.89 -3.20 132.00 139.43 1x4o h PRO 55 Ca -0.36 -0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 64.08 1x4o h PRO 55 Cb 1.27 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.14 1x4o h PRO 55 CO 0.98 0.76 0.90 0.09 -0.23 0.00 0.00 178.00 180.50 1x4o n ASN 56 N -3.65 7.40 -4.75 1.44 3.02 -1.26 -4.50 115.26 112.95 1x4o n ASN 56 Ca -0.01 -3.71 -0.28 0.00 -0.03 0.00 0.00 54.58 50.56 1x4o n ASN 56 Cb 0.73 -1.07 -0.06 0.00 -0.61 0.00 0.00 39.78 38.77 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 -1.02 5.32 0.56 6.41 0.15 -1.21 -5.00 113.70 118.92 1x4o s SER 57 Ca 0.55 -0.16 0.34 0.00 0.70 0.00 0.00 55.95 57.39 1x4o s SER 57 Cb 0.44 -1.34 1.58 0.00 -1.71 0.00 0.00 66.02 64.99 1x4o s SER 57 CO -0.27 0.11 2.07 1.56 1.20 0.00 0.00 173.24 177.91 1x4o h GLN 58 N 2.80 0.00 0.02 5.44 1.08 -1.92 -2.08 115.11 120.45 1x4o h GLN 58 Ca -0.47 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.44 1x4o h GLN 58 Cb 1.19 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.58 1x4o h GLN 58 CO 0.62 0.04 -1.59 0.41 -0.95 0.00 0.00 178.83 177.37 1x4o n GLY 59 N -0.32 -0.73 0.37 3.46 0.00 -1.26 -2.60 105.19 104.10 1x4o n GLY 59 Ca -0.01 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.16 1x4o n GLY 59 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1x4o h TYR 60 N -0.83 0.80 -0.09 1.61 5.03 -1.49 0.58 116.97 122.58 1x4o h TYR 60 Ca -0.42 0.02 0.00 0.00 2.58 0.00 0.00 58.73 60.91 1x4o h TYR 60 Cb 1.47 -0.25 -0.00 0.00 1.55 0.00 0.00 36.73 39.49 1x4o h TYR 60 CO 0.07 0.29 0.06 0.00 -1.32 0.00 0.00 178.16 177.26 1x4o h ARG 61 N 0.68 0.12 -0.13 1.82 3.08 -1.55 0.40 114.38 118.79 1x4o h ARG 61 Ca 0.44 -0.01 -0.16 0.00 0.07 0.00 0.00 59.98 60.33 1x4o h ARG 61 Cb 0.73 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1x4o h ARG 61 CO -0.20 0.10 -0.59 -0.92 -1.07 0.00 0.00 179.97 177.29 1x4o h TYR 62 N 0.11 0.55 -0.01 3.04 5.03 -1.32 -2.57 116.97 121.80 1x4o h TYR 62 Ca 0.03 -0.21 -0.10 0.00 2.58 0.00 0.00 58.73 61.04 1x4o h TYR 62 Cb 0.01 -0.10 -0.01 0.00 1.55 0.00 0.00 36.73 38.17 1x4o h TYR 62 CO -0.07 0.91 -0.45 -0.92 -1.32 0.00 0.00 178.16 176.32 1x4o h TYR 63 N 0.33 0.03 -0.11 -3.82 5.03 0.41 -2.72 116.97 116.11 1x4o h TYR 63 Ca -0.00 -0.01 -0.21 0.00 2.58 0.00 0.00 58.73 61.09 1x4o h TYR 63 Cb 1.12 -0.01 0.00 0.00 1.55 0.00 0.00 36.73 39.40 1x4o h TYR 63 CO 0.04 0.47 -0.77 0.00 -1.32 0.00 0.00 178.16 176.57 1x4o h ARG 64 N 0.02 0.62 0.20 1.82 2.47 -0.05 -2.69 114.38 116.78 1x4o h ARG 64 Ca -0.00 -0.51 -0.01 0.00 -1.26 0.00 0.00 59.98 58.20 1x4o h ARG 64 Cb 0.80 0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 29.23 1x4o h ARG 64 CO 0.06 1.13 -0.11 0.37 0.56 0.00 0.00 179.97 181.98 1x4o h GLN 65 N 0.42 -0.29 -0.39 0.04 4.15 -1.23 -1.44 115.11 116.37 1x4o h GLN 65 Ca -0.05 0.02 0.06 0.00 0.77 0.00 0.00 58.65 59.45 1x4o h GLN 65 Cb 1.38 0.07 -0.05 0.00 0.21 0.00 0.00 27.48 29.08 1x4o h GLN 65 CO 0.15 -0.19 0.07 0.87 -1.93 0.00 0.00 178.83 177.80 1x4o h LYS 66 N -0.30 0.19 -0.06 1.69 1.79 -1.54 0.23 116.57 118.58 1x4o h LYS 66 Ca -0.02 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1x4o h LYS 66 Cb 0.24 -0.04 -0.03 0.00 -1.58 0.00 0.00 32.23 30.81 1x4o h LYS 66 CO 0.03 0.13 -0.27 1.25 -1.08 0.00 0.00 179.45 179.51 1x4o h LEU 67 N 0.20 -0.87 -1.24 2.94 5.85 -1.14 0.23 115.31 121.28 1x4o h LEU 67 Ca 0.19 0.10 0.20 0.00 0.84 0.00 0.00 57.88 59.21 1x4o h LEU 67 Cb 0.22 0.34 -0.09 0.00 0.37 0.00 0.00 40.66 41.50 1x4o h LEU 67 CO -0.25 -0.25 0.62 -0.78 -0.34 0.00 0.00 178.44 177.44 1x4o h ASP 68 N -0.30 0.61 0.24 1.25 3.58 -0.95 1.17 116.42 122.03 1x4o h ASP 68 Ca 0.01 0.07 -0.01 0.00 0.42 0.00 0.00 57.03 57.53 1x4o h ASP 68 Cb 0.35 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.35 1x4o h ASP 68 CO -0.22 0.22 -0.26 -0.08 -2.88 0.00 0.00 179.24 176.03 1x4o h GLU 69 N 0.60 -0.49 0.15 0.28 4.22 0.20 -0.39 114.58 119.16 1x4o h GLU 69 Ca 0.54 0.03 -0.01 0.00 0.08 0.00 0.00 59.36 60.00 1x4o h GLU 69 Cb 1.06 0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1x4o h GLU 69 CO -0.29 -0.32 -0.07 0.74 -2.18 0.00 0.00 179.01 176.88 1x4o h PHE 70 N -0.50 -0.19 -0.33 0.92 0.04 0.10 -2.41 116.94 114.57 1x4o h PHE 70 Ca -0.03 -0.00 0.03 0.00 2.80 0.00 0.00 57.97 60.76 1x4o h PHE 70 Cb 0.44 0.06 -0.04 0.00 2.20 0.00 0.00 35.95 38.61 1x4o h PHE 70 CO -0.17 0.14 -0.20 0.00 -0.60 0.00 0.00 178.31 177.48 1x4o h ARG 71 N -0.54 -0.00 0.00 1.51 3.08 0.14 -2.16 114.38 116.40 1x4o h ARG 71 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1x4o h ARG 71 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.46 1x4o h ARG 71 CO 0.03 -0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.56 1x4o n LYS 72 N -3.75 0.00 -3.68 0.04 5.02 -0.16 -4.36 118.16 111.28 1x4o n LYS 72 Ca 0.01 0.55 -0.38 0.00 -2.02 0.00 0.00 58.31 56.47 1x4o n LYS 72 Cb 0.09 -1.34 -0.12 0.00 -0.02 0.00 0.00 35.03 33.64 1x4o n LYS 72 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1x4o s SER 73 N -2.44 5.44 0.00 4.39 0.01 -0.91 -4.66 113.70 115.54 1x4o s SER 73 Ca 0.00 -0.72 0.00 0.00 1.31 0.00 0.00 55.95 56.54 1x4o s SER 73 Cb 0.00 -1.96 0.00 0.00 0.21 0.00 0.00 66.02 64.27 1x4o s SER 73 CO 0.00 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.02 1x4o n GLY 74 N 4.94 4.67 3.80 3.44 0.00 -0.84 -3.90 105.19 117.29 1x4o n GLY 74 Ca -0.14 -1.76 -0.33 0.00 0.00 0.00 0.00 46.02 43.80 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 3.16 3.57 -0.38 1.61 0.04 -1.26 -4.31 135.00 137.43 1x4o s PRO 75 Ca 0.00 1.25 -0.31 0.00 0.04 0.00 0.00 61.00 61.98 1x4o s PRO 75 Cb 0.00 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.52 1x4o s PRO 75 CO 0.00 -0.61 0.55 0.45 0.04 0.00 0.00 177.00 177.43 1x4o n SER 76 N -1.56 -5.89 -1.43 6.66 2.88 -1.26 -4.61 113.62 108.41 1x4o n SER 76 Ca 0.09 0.01 0.18 0.00 -1.33 0.00 0.00 58.87 57.81 1x4o n SER 76 Cb 0.53 -1.97 -0.08 0.00 -0.75 0.00 0.00 64.21 61.94 1x4o n SER 76 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x4o n SER 77 N 0.06 -8.10 0.00 -3.46 2.88 -1.26 -5.21 113.62 98.53 1x4o n SER 77 Ca -0.06 1.21 0.00 0.00 -1.33 0.00 0.00 58.87 58.69 1x4o n SER 77 Cb 0.63 -4.78 0.00 0.00 -0.75 0.00 0.00 64.21 59.31 1x4o n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42