#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 0.36 -0.77 1.61 0.01 -1.26 -5.09 113.70 108.56 1x4o s SER 2 Ca 0.00 -0.07 -0.26 0.00 1.31 0.00 0.00 55.95 56.93 1x4o s SER 2 Cb 0.00 -0.03 0.01 0.00 0.21 0.00 0.00 66.02 66.20 1x4o s SER 2 CO 0.00 0.03 1.59 -0.55 0.41 0.00 0.00 173.24 174.72 1x4o s SER 3 N -0.13 5.78 0.00 2.44 0.15 -1.26 -4.81 113.70 115.88 1x4o s SER 3 Ca 0.01 -0.40 0.00 0.00 0.70 0.00 0.00 55.95 56.25 1x4o s SER 3 Cb -0.01 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.74 1x4o s SER 3 CO -0.00 -2.09 0.00 0.61 1.20 0.00 0.00 173.24 172.96 1x4o n GLY 4 N 5.96 0.86 3.69 9.45 0.00 -1.26 -5.05 105.19 118.83 1x4o n GLY 4 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.81 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 0.39 6.92 -0.19 1.61 1.04 -1.26 -4.95 113.70 117.26 1x4o s SER 5 Ca 0.00 1.12 -0.16 0.00 0.48 0.00 0.00 55.95 57.40 1x4o s SER 5 Cb 0.00 -2.42 -0.07 0.00 0.10 0.00 0.00 66.02 63.63 1x4o s SER 5 CO 0.00 -0.26 -0.27 -1.20 0.98 0.00 0.00 173.24 172.49 1x4o n SER 6 N 4.59 1.91 -4.29 7.02 7.64 -1.26 -5.02 113.62 124.20 1x4o n SER 6 Ca 0.01 0.41 -0.21 0.00 1.01 0.00 0.00 58.87 60.09 1x4o n SER 6 Cb 0.50 -0.80 -0.11 0.00 -1.01 0.00 0.00 64.21 62.78 1x4o n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4o s GLY 7 N -4.87 1.26 -0.40 0.23 0.00 -1.26 -5.09 107.32 97.19 1x4o s GLY 7 Ca -0.28 -1.38 -0.02 0.00 0.00 0.00 0.00 44.72 43.04 1x4o s GLY 7 CO 0.41 -1.42 0.96 1.25 0.00 0.00 0.00 173.10 174.29 1x4o s LYS 8 N -2.58 0.50 0.26 2.90 2.36 -1.26 -5.16 119.74 116.75 1x4o s LYS 8 Ca 0.12 -0.45 0.05 0.00 -2.55 0.00 0.00 55.97 53.14 1x4o s LYS 8 Cb -0.06 -0.01 -0.02 0.00 -1.05 0.00 0.00 37.83 36.69 1x4o s LYS 8 CO 0.05 -0.63 0.20 1.33 1.55 0.00 0.00 175.35 177.85 1x4o n VAL 9 N 2.92 0.00 -4.26 4.02 0.24 -1.26 -5.18 118.33 114.81 1x4o n VAL 9 Ca 0.13 -1.85 -0.26 0.00 -2.04 0.00 0.00 64.34 60.32 1x4o n VAL 9 Cb 0.62 0.88 -0.08 0.00 -1.47 0.00 0.00 33.84 33.79 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 -2.80 4.31 0.66 -1.34 0.01 -1.26 -5.06 113.70 108.21 1x4o s SER 10 Ca 0.28 -1.19 -0.13 0.00 1.31 0.00 0.00 55.95 56.22 1x4o s SER 10 Cb 0.01 -0.32 -0.01 0.00 0.21 0.00 0.00 66.02 65.91 1x4o s SER 10 CO 0.20 -0.59 1.06 -2.16 0.41 0.00 0.00 173.24 172.15 1x4o s PRO 11 N -3.89 3.10 0.93 12.44 0.04 -1.26 -4.69 135.00 141.67 1x4o s PRO 11 Ca 0.37 1.03 -0.16 0.00 0.04 0.00 0.00 61.00 62.28 1x4o s PRO 11 Cb 0.04 -2.01 0.22 0.00 0.04 0.00 0.00 34.50 32.80 1x4o s PRO 11 CO 0.20 -0.98 1.03 -0.35 0.04 0.00 0.00 177.00 176.94 1x4o n PRO 12 N -2.73 -1.94 -0.13 0.56 -0.04 -1.26 -4.99 135.00 124.47 1x4o n PRO 12 Ca 0.08 -1.61 -0.27 0.00 -0.04 0.00 0.00 63.50 61.66 1x4o n PRO 12 Cb 0.53 -1.27 -0.11 0.00 -0.04 0.00 0.00 33.50 32.62 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 -3.84 0.59 -1.80 0.54 1.02 -1.26 -4.86 120.64 111.03 1x4o n GLU 13 Ca 0.13 0.31 -0.42 0.00 -0.02 0.00 0.00 57.16 57.16 1x4o n GLU 13 Cb 0.49 -1.55 -0.03 0.00 -0.02 0.00 0.00 31.44 30.34 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 -7.29 5.57 0.11 1.62 1.11 -1.26 -4.85 116.67 111.68 1x4o s ASP 14 Ca -0.36 1.50 -0.24 0.00 0.18 0.00 0.00 52.55 53.62 1x4o s ASP 14 Cb 0.13 -2.52 -0.07 0.00 1.07 0.00 0.00 42.92 41.52 1x4o s ASP 14 CO 0.53 -1.93 1.67 -0.33 1.18 0.00 0.00 175.17 176.29 1x4o h GLU 15 N 14.40 -0.26 -1.59 8.23 5.08 -2.00 -0.50 114.58 137.94 1x4o h GLU 15 Ca -0.36 0.02 0.47 0.00 -1.00 0.00 0.00 59.36 58.48 1x4o h GLU 15 Cb 1.21 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 30.44 1x4o h GLU 15 CO 1.02 -0.17 1.13 0.93 -1.00 0.00 0.00 179.01 180.91 1x4o h GLU 16 N -0.27 0.02 0.24 2.33 5.08 -2.00 0.31 114.58 120.29 1x4o h GLU 16 Ca 0.05 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1x4o h GLU 16 Cb 0.32 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1x4o h GLU 16 CO -0.14 0.01 -0.11 0.00 -1.00 0.00 0.00 179.01 177.77 1x4o h ALA 17 N 1.24 -0.32 -1.93 3.43 0.00 -1.49 0.49 119.26 120.69 1x4o h ALA 17 Ca 0.78 -0.13 0.56 0.00 0.00 0.00 0.00 54.91 56.12 1x4o h ALA 17 Cb 3.02 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 20.86 1x4o h ALA 17 CO -0.07 -0.32 1.40 -0.22 0.00 0.00 0.00 179.25 180.05 1x4o h LYS 18 N -1.04 0.00 0.00 0.00 3.64 0.09 1.51 116.57 120.77 1x4o h LYS 18 Ca -0.03 0.00 -0.14 0.00 -1.27 0.00 0.00 60.65 59.20 1x4o h LYS 18 Cb 0.35 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 1x4o h LYS 18 CO 0.05 0.00 -0.80 -0.97 -2.27 0.00 0.00 179.45 175.47 1x4o h ASN 19 N 0.00 0.00 -0.17 4.20 -0.73 -1.27 -3.14 115.58 114.46 1x4o h ASN 19 Ca 0.91 -0.66 0.04 0.00 1.87 0.00 0.00 56.30 58.46 1x4o h ASN 19 Cb 3.71 0.00 -0.04 0.00 0.27 0.00 0.00 38.32 42.26 1x4o h ASN 19 CO -0.01 1.30 -0.10 -0.07 -0.37 0.00 0.00 177.43 178.18 1x4o h LEU 20 N -1.00 -0.33 0.03 0.34 3.38 0.35 0.87 115.31 118.94 1x4o h LEU 20 Ca -0.22 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1x4o h LEU 20 Cb 1.17 0.18 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 1x4o h LEU 20 CO -0.13 -0.14 -0.13 0.00 0.09 0.00 0.00 178.44 178.13 1x4o h ALA 21 N 1.04 -0.67 -0.29 1.53 0.00 0.14 0.24 119.26 121.24 1x4o h ALA 21 Ca 0.10 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1x4o h ALA 21 Cb 0.24 0.55 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1x4o h ALA 21 CO -0.23 -0.71 -0.24 1.49 0.00 0.00 0.00 179.25 179.57 1x4o h GLU 22 N -0.19 -0.08 -0.52 0.00 4.81 -1.47 0.15 114.58 117.29 1x4o h GLU 22 Ca -0.00 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1x4o h GLU 22 Cb 0.19 0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 1x4o h GLU 22 CO -0.07 -0.05 -0.31 0.87 -0.73 0.00 0.00 179.01 178.72 1x4o h LYS 23 N -0.08 -0.01 -0.95 1.92 1.57 -0.69 1.53 116.57 119.86 1x4o h LYS 23 Ca 0.05 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.94 1x4o h LYS 23 Cb 0.21 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 32.39 1x4o h LYS 23 CO -0.32 -0.01 -0.52 1.25 -0.57 0.00 0.00 179.45 179.29 1x4o h LEU 24 N -0.01 -1.88 0.15 2.94 7.12 0.44 0.72 115.31 124.78 1x4o h LEU 24 Ca 0.08 0.32 0.01 0.00 0.13 0.00 0.00 57.88 58.42 1x4o h LEU 24 Cb 0.22 0.87 -0.03 0.00 -0.53 0.00 0.00 40.66 41.19 1x4o h LEU 24 CO -0.49 -0.26 -0.27 0.00 -0.13 0.00 0.00 178.44 177.29 1x4o h ALA 25 N 0.76 -0.47 -1.13 1.25 0.00 0.21 1.22 119.26 121.11 1x4o h ALA 25 Ca 0.22 -0.05 0.32 0.00 0.00 0.00 0.00 54.91 55.39 1x4o h ALA 25 Cb 0.49 0.42 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 1x4o h ALA 25 CO -0.93 -0.81 0.77 0.00 0.00 0.00 0.00 179.25 178.28 1x4o h ARG 26 N -0.49 0.18 0.00 0.00 2.47 0.55 1.50 114.38 118.58 1x4o h ARG 26 Ca 0.02 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 1x4o h ARG 26 Cb 0.51 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1x4o h ARG 26 CO -0.14 0.12 -0.21 0.35 0.56 0.00 0.00 179.97 180.65 1x4o h PHE 27 N 0.19 0.00 -0.41 3.04 3.57 0.21 -3.05 116.94 120.49 1x4o h PHE 27 Ca 0.60 0.00 0.12 0.00 3.53 0.00 0.00 57.97 62.22 1x4o h PHE 27 Cb 1.94 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 40.66 1x4o h PHE 27 CO -0.00 0.13 0.39 0.82 -2.23 0.00 0.00 178.31 177.42 1x4o h ILE 28 N -1.00 0.47 0.00 1.41 2.04 0.21 1.27 117.51 121.92 1x4o h ILE 28 Ca -0.01 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.74 1x4o h ILE 28 Cb 0.28 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1x4o h ILE 28 CO -0.01 0.00 -0.49 0.00 0.00 0.00 0.00 178.15 177.65 1x4o h ALA 29 N 1.60 0.78 0.00 1.87 0.00 0.20 -2.65 119.26 121.06 1x4o h ALA 29 Ca 0.19 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1x4o h ALA 29 Cb 0.98 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1x4o h ALA 29 CO -0.00 0.61 0.00 -3.47 0.00 0.00 0.00 179.25 176.39 1x4o n ASP 30 N -3.37 0.00 0.00 0.00 2.03 0.43 -4.71 116.55 110.93 1x4o n ASP 30 Ca 0.01 0.25 0.00 0.00 0.52 0.00 0.00 54.79 55.57 1x4o n ASP 30 Cb 0.66 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.64 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 1.28 1.17 0.00 0.27 0.00 -0.91 -5.06 105.19 101.93 1x4o n GLY 31 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.92 0.00 -0.02 0.00 -1.21 -4.94 105.19 103.10 1x4o n GLY 32 Ca 0.00 0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 0.59 -0.11 1.61 -0.04 -1.26 -2.48 135.00 133.30 1x4o n PRO 33 Ca 0.00 0.03 -0.25 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 -1.11 0.60 -0.29 0.54 1.02 -1.26 -4.09 120.64 116.05 1x4o n GLU 34 Ca 0.15 0.38 -0.05 0.00 -0.02 0.00 0.00 57.16 57.62 1x4o n GLU 34 Cb 0.12 -1.61 0.07 0.00 -0.02 0.00 0.00 31.44 29.99 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 -0.83 1.24 0.00 2.62 3.04 -1.88 0.26 116.25 120.69 1x4o h VAL 35 Ca -0.53 -0.63 0.00 0.00 -1.01 0.00 0.00 66.70 64.53 1x4o h VAL 35 Cb 1.55 0.21 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 1x4o h VAL 35 CO -0.27 0.28 0.01 -1.84 -1.01 0.00 0.00 177.57 174.73 1x4o n GLU 36 N -4.40 0.13 -0.08 4.17 0.28 -1.03 0.20 120.64 119.90 1x4o n GLU 36 Ca 0.07 0.63 -0.09 0.00 -0.16 0.00 0.00 57.16 57.61 1x4o n GLU 36 Cb 0.11 -1.92 -0.03 0.00 1.43 0.00 0.00 31.44 31.02 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 -2.19 1.45 -0.12 3.84 -1.04 -0.01 -3.28 114.28 112.94 1x4o n THR 37 Ca -0.01 0.15 -0.11 0.00 -2.04 0.00 0.00 64.05 62.03 1x4o n THR 37 Cb 0.04 -2.32 -0.03 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 1.27 -0.98 12.58 5.03 -0.99 1.43 117.51 134.85 1x4o h ILE 38 Ca -0.07 -1.09 0.03 0.00 -0.12 0.00 0.00 64.86 63.60 1x4o h ILE 38 Cb 0.75 1.30 -0.06 0.00 -3.03 0.00 0.00 36.82 35.78 1x4o h ILE 38 CO -0.04 0.36 0.65 0.00 -0.68 0.00 0.00 178.15 178.43 1x4o h ALA 39 N 0.82 1.35 0.05 1.87 0.00 0.20 0.34 119.26 123.88 1x4o h ALA 39 Ca 0.09 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1x4o h ALA 39 Cb 0.55 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.99 1x4o h ALA 39 CO 0.03 0.57 -0.57 -0.07 0.00 0.00 0.00 179.25 179.20 1x4o h LEU 40 N 1.26 0.42 -1.25 0.00 3.38 -1.48 -1.33 115.31 116.32 1x4o h LEU 40 Ca 0.39 -0.85 0.13 0.00 0.09 0.00 0.00 57.88 57.64 1x4o h LEU 40 Cb -0.03 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.52 1x4o h LEU 40 CO -0.11 1.22 0.57 1.56 0.09 0.00 0.00 178.44 181.77 1x4o h GLN 41 N -0.33 0.73 0.23 1.13 4.20 0.24 0.57 115.11 121.89 1x4o h GLN 41 Ca -0.09 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 1x4o h GLN 41 Cb 1.35 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.97 1x4o h GLN 41 CO 0.11 0.48 -0.11 -0.91 -0.67 0.00 0.00 178.83 177.73 1x4o h ASN 42 N 0.75 -0.27 -0.56 1.46 2.35 -0.38 -3.18 115.58 115.75 1x4o h ASN 42 Ca 0.44 -0.03 0.16 0.00 -0.55 0.00 0.00 56.30 56.33 1x4o h ASN 42 Cb 0.63 0.07 -0.02 0.00 0.05 0.00 0.00 38.32 39.05 1x4o h ASN 42 CO -0.20 0.21 0.63 0.78 -1.65 0.00 0.00 177.43 177.19 1x4o h ASN 43 N -1.07 0.00 -1.00 5.81 2.35 -0.89 0.39 115.58 121.16 1x4o h ASN 43 Ca -0.03 0.00 0.25 0.00 -0.55 0.00 0.00 56.30 55.97 1x4o h ASN 43 Cb 0.28 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 38.57 1x4o h ASN 43 CO 0.05 0.00 0.67 -0.09 -1.65 0.00 0.00 177.43 176.41 1x4o h ARG 44 N 0.00 0.31 0.11 0.81 1.12 0.17 -0.73 114.38 116.17 1x4o h ARG 44 Ca 0.27 -0.02 -0.28 0.00 -1.11 0.00 0.00 59.98 58.84 1x4o h ARG 44 Cb 1.53 -0.07 -0.01 0.00 -0.01 0.00 0.00 29.97 31.41 1x4o h ARG 44 CO -0.00 0.21 -1.42 0.93 -3.11 0.00 0.00 179.97 176.57 1x4o h GLU 45 N 0.32 0.23 -6.95 0.20 5.08 -0.38 -3.46 114.58 109.62 1x4o h GLU 45 Ca 0.54 -0.38 -0.54 0.00 -1.00 0.00 0.00 59.36 57.97 1x4o h GLU 45 Cb 1.50 0.14 0.11 0.00 0.50 0.00 0.00 28.75 31.00 1x4o h GLU 45 CO -0.20 1.18 0.76 -0.80 -1.00 0.00 0.00 179.01 178.96 1x4o s ASN 46 N -7.01 6.28 -0.15 1.42 -0.87 -0.28 -4.93 114.94 109.40 1x4o s ASN 46 Ca -0.21 3.02 -0.02 0.00 -1.57 0.00 0.00 52.86 54.08 1x4o s ASN 46 Cb 0.05 -2.67 -0.23 0.00 -0.02 0.00 0.00 41.25 38.38 1x4o s ASN 46 CO 0.75 -0.91 0.22 1.67 -2.57 0.00 0.00 177.10 176.25 1x4o n GLN 47 N 0.36 0.72 -0.24 -0.60 7.27 -1.26 -4.29 117.38 119.33 1x4o n GLN 47 Ca 0.02 0.22 -0.00 0.00 0.07 0.00 0.00 57.00 57.31 1x4o n GLN 47 Cb 0.40 -1.66 0.07 0.00 2.41 0.00 0.00 30.24 31.46 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 0.16 0.37 0.00 1.69 0.00 -1.92 -2.07 119.26 117.49 1x4o h ALA 48 Ca -0.46 0.26 -0.37 0.00 0.00 0.00 0.00 54.91 54.34 1x4o h ALA 48 Cb 2.01 0.60 0.01 0.00 0.00 0.00 0.00 17.79 20.41 1x4o h ALA 48 CO 0.04 -0.47 2.52 1.19 0.00 0.00 0.00 179.25 182.53 1x4o n PHE 49 N -5.47 1.32 0.51 0.00 3.72 -1.26 -4.16 117.46 112.11 1x4o n PHE 49 Ca 0.08 -1.93 0.11 0.00 -0.05 0.00 0.00 57.45 55.67 1x4o n PHE 49 Cb 0.37 -1.65 0.02 0.00 -0.94 0.00 0.00 39.48 37.28 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 4.15 0.61 0.00 4.37 3.41 -0.78 -3.85 113.62 121.53 1x4o n SER 50 Ca 0.44 -0.14 0.10 0.00 -0.26 0.00 0.00 58.87 59.00 1x4o n SER 50 Cb 0.14 0.79 0.43 0.00 -0.26 0.00 0.00 64.21 65.31 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 -2.04 0.00 0.06 7.33 1.16 -1.26 -0.72 117.46 121.99 1x4o n PHE 51 Ca 0.02 0.00 -0.10 0.00 -1.87 0.00 0.00 57.45 55.50 1x4o n PHE 51 Cb 0.45 -0.47 -0.13 0.00 -1.61 0.00 0.00 39.48 37.72 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 0.11 0.00 5.98 3.38 -1.90 -1.94 115.31 120.93 1x4o h LEU 52 Ca 0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1x4o h LEU 52 Cb 0.32 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1x4o h LEU 52 CO 0.00 1.10 -0.71 -1.22 0.09 0.00 0.00 178.44 177.70 1x4o n TYR 53 N -3.35 0.16 -1.48 1.13 4.01 -0.99 -4.88 117.16 111.76 1x4o n TYR 53 Ca -0.05 0.07 -0.47 0.00 -0.16 0.00 0.00 57.90 57.29 1x4o n TYR 53 Cb 0.98 -0.45 -0.06 0.00 -0.31 0.00 0.00 39.34 39.49 1x4o n TYR 53 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1x4o n ASP 54 N -4.07 2.22 -0.04 7.72 -0.08 0.10 -4.82 116.55 117.59 1x4o n ASP 54 Ca -0.10 0.25 -0.13 0.00 -1.51 0.00 0.00 54.79 53.30 1x4o n ASP 54 Cb 0.37 -1.33 -0.11 0.00 2.34 0.00 0.00 41.12 42.39 1x4o n ASP 54 CO 0.00 0.00 0.00 1.55 0.12 0.00 0.00 177.20 178.87 1x4o h PRO 55 N 13.67 -0.01 -1.41 -0.67 0.13 -1.87 -3.18 132.00 138.66 1x4o h PRO 55 Ca -0.28 0.00 0.41 0.00 -0.87 0.00 0.00 66.00 65.27 1x4o h PRO 55 Cb 1.30 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.35 1x4o h PRO 55 CO 1.05 0.73 0.98 -0.91 -0.23 0.00 0.00 178.00 179.62 1x4o h ASN 56 N -0.76 0.11 -2.80 1.44 2.35 -1.98 -3.38 115.58 110.56 1x4o h ASN 56 Ca -0.00 0.04 -0.54 0.00 -0.55 0.00 0.00 56.30 55.24 1x4o h ASN 56 Cb 0.74 0.03 -0.00 0.00 0.05 0.00 0.00 38.32 39.13 1x4o h ASN 56 CO 0.00 -0.03 0.93 -0.94 -1.65 0.00 0.00 177.43 175.74 1x4o s SER 57 N -4.70 6.77 0.56 5.81 1.04 -1.20 -4.85 113.70 117.13 1x4o s SER 57 Ca -0.06 2.18 0.31 0.00 0.48 0.00 0.00 55.95 58.86 1x4o s SER 57 Cb 0.26 -2.55 1.70 0.00 0.10 0.00 0.00 66.02 65.53 1x4o s SER 57 CO 0.83 -0.80 1.95 1.56 0.98 0.00 0.00 173.24 177.76 1x4o h GLN 58 N 8.34 0.00 -0.80 4.02 7.50 -1.87 -0.66 115.11 131.63 1x4o h GLN 58 Ca -0.38 0.00 0.01 0.00 0.50 0.00 0.00 58.65 58.78 1x4o h GLN 58 Cb 1.18 0.00 -0.04 0.00 0.05 0.00 0.00 27.48 28.66 1x4o h GLN 58 CO 0.92 0.00 0.52 0.78 -1.50 0.00 0.00 178.83 179.56 1x4o h GLY 59 N 0.00 1.13 0.99 3.46 0.00 -1.87 0.10 103.07 106.88 1x4o h GLY 59 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1x4o h GLY 59 CO 0.00 0.39 0.26 -1.82 0.00 0.00 0.00 176.54 175.37 1x4o h TYR 60 N 1.05 0.53 0.59 5.60 3.20 -0.28 0.16 116.97 127.82 1x4o h TYR 60 Ca 0.30 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.15 1x4o h TYR 60 Cb -0.09 -0.18 0.01 0.00 1.54 0.00 0.00 36.73 38.01 1x4o h TYR 60 CO -0.02 0.35 -0.28 0.00 -1.64 0.00 0.00 178.16 176.57 1x4o h ARG 61 N 0.55 -0.76 -0.85 1.82 -0.00 -1.55 -0.26 114.38 113.33 1x4o h ARG 61 Ca 0.15 0.05 0.19 0.00 -0.50 0.00 0.00 59.98 59.87 1x4o h ARG 61 Cb -0.03 0.17 -0.06 0.00 0.00 0.00 0.00 29.97 30.05 1x4o h ARG 61 CO -0.03 -0.45 0.57 -0.92 0.00 0.00 0.00 179.97 179.14 1x4o h TYR 62 N -1.04 0.45 -0.12 3.04 5.03 -0.76 0.12 116.97 123.70 1x4o h TYR 62 Ca -0.08 0.01 -0.06 0.00 2.58 0.00 0.00 58.73 61.18 1x4o h TYR 62 Cb 0.67 -0.14 -0.00 0.00 1.55 0.00 0.00 36.73 38.81 1x4o h TYR 62 CO 0.00 0.13 -0.16 -0.92 -1.32 0.00 0.00 178.16 175.90 1x4o h TYR 63 N 0.35 0.38 -0.72 -3.82 3.20 -0.49 -2.71 116.97 113.16 1x4o h TYR 63 Ca 0.43 -0.12 -0.01 0.00 3.14 0.00 0.00 58.73 62.17 1x4o h TYR 63 Cb 1.14 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 39.30 1x4o h TYR 63 CO -0.00 0.75 0.41 0.00 -1.64 0.00 0.00 178.16 177.69 1x4o h ARG 64 N -0.10 0.99 0.10 1.82 2.47 0.60 -1.55 114.38 118.71 1x4o h ARG 64 Ca 0.01 -0.10 0.02 0.00 -1.26 0.00 0.00 59.98 58.65 1x4o h ARG 64 Cb 0.71 -0.20 -0.04 0.00 -1.65 0.00 0.00 29.97 28.79 1x4o h ARG 64 CO 0.04 0.72 -0.29 0.37 0.56 0.00 0.00 179.97 181.37 1x4o h GLN 65 N 0.98 -0.47 -0.78 0.04 4.15 -0.83 -0.74 115.11 117.47 1x4o h GLN 65 Ca 0.26 0.03 0.10 0.00 0.77 0.00 0.00 58.65 59.81 1x4o h GLN 65 Cb 0.00 0.11 -0.07 0.00 0.21 0.00 0.00 27.48 27.73 1x4o h GLN 65 CO -0.04 -0.31 0.42 0.87 -1.93 0.00 0.00 178.83 177.83 1x4o h LYS 66 N -0.49 0.67 0.00 1.69 1.79 -1.25 0.16 116.57 119.14 1x4o h LYS 66 Ca 0.04 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1x4o h LYS 66 Cb 0.53 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 31.03 1x4o h LYS 66 CO -0.18 0.44 0.00 -0.11 -1.08 0.00 0.00 179.45 178.52 1x4o n LEU 67 N -4.81 0.00 -0.32 2.94 7.94 -0.60 -1.26 117.00 120.88 1x4o n LEU 67 Ca 0.13 0.99 0.17 0.00 -1.11 0.00 0.00 56.01 56.19 1x4o n LEU 67 Cb 0.29 -0.49 0.37 0.00 0.53 0.00 0.00 43.42 44.12 1x4o n LEU 67 CO 0.25 -0.49 1.09 -0.78 -1.11 0.00 0.00 177.39 176.35 1x4o h ASP 68 N 0.00 0.46 -0.31 1.96 3.58 -0.91 1.04 116.42 122.24 1x4o h ASP 68 Ca 0.00 0.16 0.04 0.00 0.42 0.00 0.00 57.03 57.65 1x4o h ASP 68 Cb 0.00 0.11 -0.07 0.00 1.72 0.00 0.00 39.33 41.09 1x4o h ASP 68 CO 0.00 -0.01 -0.53 -0.08 -2.88 0.00 0.00 179.24 175.74 1x4o h GLU 69 N 0.43 -0.42 0.01 0.28 4.22 0.26 0.50 114.58 119.86 1x4o h GLU 69 Ca 0.63 0.03 -0.00 0.00 0.08 0.00 0.00 59.36 60.09 1x4o h GLU 69 Cb 1.25 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.60 1x4o h GLU 69 CO -0.54 -0.28 -0.01 0.74 -2.18 0.00 0.00 179.01 176.74 1x4o h PHE 70 N -0.44 -0.01 -0.76 0.92 0.04 0.34 -3.30 116.94 113.73 1x4o h PHE 70 Ca 0.06 -0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.92 1x4o h PHE 70 Cb 0.60 0.00 -0.12 0.00 2.20 0.00 0.00 35.95 38.63 1x4o h PHE 70 CO -0.68 0.70 -0.50 0.00 -0.60 0.00 0.00 178.31 177.24 1x4o h ARG 71 N -0.76 -0.13 -3.14 1.51 3.08 0.12 -1.87 114.38 113.19 1x4o h ARG 71 Ca -0.00 0.01 -0.80 0.00 0.07 0.00 0.00 59.98 59.26 1x4o h ARG 71 Cb 0.72 0.03 -0.25 0.00 0.08 0.00 0.00 29.97 30.55 1x4o h ARG 71 CO 0.00 -0.09 1.07 1.63 -1.07 0.00 0.00 179.97 181.51 1x4o n LYS 72 N -5.36 4.20 0.20 0.04 5.02 0.17 -4.35 118.16 118.08 1x4o n LYS 72 Ca 0.03 -4.29 0.00 0.00 -2.02 0.00 0.00 58.31 52.02 1x4o n LYS 72 Cb 0.33 -2.62 0.00 0.00 -0.02 0.00 0.00 35.03 32.72 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 2.10 -3.05 -4.70 4.39 7.64 -0.71 -4.78 113.62 114.51 1x4o n SER 73 Ca 0.29 0.76 -0.32 0.00 1.01 0.00 0.00 58.87 60.61 1x4o n SER 73 Cb 0.34 2.91 0.13 0.00 -1.01 0.00 0.00 64.21 66.58 1x4o n SER 73 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4o s GLY 74 N -2.69 1.95 -0.07 0.23 0.00 -1.19 -4.98 107.32 100.56 1x4o s GLY 74 Ca 0.00 0.67 -0.18 0.00 0.00 0.00 0.00 44.72 45.22 1x4o s GLY 74 CO 0.00 1.08 0.67 -0.56 0.00 0.00 0.00 173.10 174.29 1x4o h PRO 75 N -1.18 -0.18 -1.75 2.90 0.13 -1.95 -3.49 132.00 126.48 1x4o h PRO 75 Ca -0.45 0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.79 1x4o h PRO 75 Cb 1.28 0.04 -0.21 0.00 0.13 0.00 0.00 31.00 32.24 1x4o h PRO 75 CO 0.46 0.22 0.54 -1.12 -0.23 0.00 0.00 178.00 177.87 1x4o s SER 76 N -5.52 -0.36 0.07 1.44 0.01 -1.26 -5.17 113.70 102.90 1x4o s SER 76 Ca -0.11 0.28 0.08 0.00 1.31 0.00 0.00 55.95 57.52 1x4o s SER 76 Cb -0.00 0.32 -0.03 0.00 0.21 0.00 0.00 66.02 66.51 1x4o s SER 76 CO 0.39 -0.41 -0.21 -0.55 0.41 0.00 0.00 173.24 172.87 1x4o s SER 77 N -1.53 3.66 0.00 2.44 0.15 -1.26 -5.25 113.70 111.91 1x4o s SER 77 Ca 0.00 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1x4o s SER 77 Cb -0.01 -0.49 0.00 0.00 -1.71 0.00 0.00 66.02 63.81 1x4o s SER 77 CO -0.01 0.23 0.00 0.61 1.20 0.00 0.00 173.24 175.26