#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 -7.02 -0.07 1.61 2.88 -1.26 -4.97 113.62 104.79 1x4o n SER 2 Ca 0.00 0.93 -0.04 0.00 -1.33 0.00 0.00 58.87 58.43 1x4o n SER 2 Cb 0.00 -3.42 -0.01 0.00 -0.75 0.00 0.00 64.21 60.02 1x4o n SER 2 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 1x4o h SER 3 N 3.45 0.00 -5.18 -3.46 4.64 -2.04 -3.50 113.55 107.46 1x4o h SER 3 Ca -0.02 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.19 1x4o h SER 3 Cb 0.52 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.69 1x4o h SER 3 CO 0.05 0.73 -0.33 0.61 -0.87 0.00 0.00 176.83 177.02 1x4o n GLY 4 N 1.63 -1.08 2.69 -0.77 0.00 -1.26 -5.02 105.19 101.39 1x4o n GLY 4 Ca -0.07 0.45 -0.03 0.00 0.00 0.00 0.00 46.02 46.37 1x4o n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x4o s SER 5 N -3.09 -0.54 -0.02 1.61 0.15 -1.26 -5.15 113.70 105.39 1x4o s SER 5 Ca 0.17 -0.65 0.02 0.00 0.70 0.00 0.00 55.95 56.20 1x4o s SER 5 Cb -0.02 0.71 0.00 0.00 -1.71 0.00 0.00 66.02 65.00 1x4o s SER 5 CO 0.68 -0.02 -0.08 -0.44 1.20 0.00 0.00 173.24 174.58 1x4o s SER 6 N 0.96 1.04 0.25 5.45 0.01 -1.26 -5.07 113.70 115.09 1x4o s SER 6 Ca 0.25 -0.16 -0.16 0.00 1.31 0.00 0.00 55.95 57.19 1x4o s SER 6 Cb 0.10 -0.23 0.01 0.00 0.21 0.00 0.00 66.02 66.10 1x4o s SER 6 CO -0.09 0.07 0.55 -0.83 0.41 0.00 0.00 173.24 173.35 1x4o s GLY 7 N 0.09 0.30 -0.20 3.44 0.00 -1.26 -5.07 107.32 104.62 1x4o s GLY 7 Ca -0.01 -0.66 -0.10 0.00 0.00 0.00 0.00 44.72 43.95 1x4o s GLY 7 CO 0.00 -0.44 0.15 1.25 0.00 0.00 0.00 173.10 174.06 1x4o s LYS 8 N -3.98 4.19 -0.40 2.90 2.20 -1.26 -4.66 119.74 118.73 1x4o s LYS 8 Ca 0.18 -0.20 0.11 0.00 -0.36 0.00 0.00 55.97 55.70 1x4o s LYS 8 Cb -0.02 -3.43 0.42 0.00 -1.51 0.00 0.00 37.83 33.29 1x4o s LYS 8 CO 0.07 0.28 1.00 1.33 -0.36 0.00 0.00 175.35 177.67 1x4o n VAL 9 N 3.59 1.65 -1.33 4.02 0.24 -1.26 -5.10 118.33 120.14 1x4o n VAL 9 Ca -0.16 -4.18 0.15 0.00 -2.04 0.00 0.00 64.34 58.12 1x4o n VAL 9 Cb 0.52 -0.39 -0.08 0.00 -1.47 0.00 0.00 33.84 32.42 1x4o n VAL 9 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1x4o n SER 10 N -0.22 -7.01 -4.80 -1.34 3.41 -1.26 -4.87 113.62 97.52 1x4o n SER 10 Ca 0.25 1.16 -0.30 0.00 -0.26 0.00 0.00 58.87 59.72 1x4o n SER 10 Cb 0.70 -4.47 0.09 0.00 -0.26 0.00 0.00 64.21 60.28 1x4o n SER 10 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1x4o s PRO 11 N -4.09 2.09 1.11 4.33 0.04 -1.26 -4.80 135.00 132.42 1x4o s PRO 11 Ca 0.00 0.64 -0.18 0.00 0.04 0.00 0.00 61.00 61.50 1x4o s PRO 11 Cb 0.00 -1.92 0.26 0.00 0.04 0.00 0.00 34.50 32.88 1x4o s PRO 11 CO 0.00 -1.62 1.23 -1.25 0.04 0.00 0.00 177.00 175.40 1x4o s PRO 12 N -5.15 -0.50 0.12 0.56 0.04 -1.26 -4.99 135.00 123.81 1x4o s PRO 12 Ca 0.61 -0.33 0.19 0.00 0.04 0.00 0.00 61.00 61.51 1x4o s PRO 12 Cb -0.14 -1.71 -0.08 0.00 0.04 0.00 0.00 34.50 32.61 1x4o s PRO 12 CO 0.54 -3.19 0.90 -1.91 0.04 0.00 0.00 177.00 173.38 1x4o n GLU 13 N -4.33 0.62 -3.37 4.56 2.13 -1.26 -4.78 120.64 114.21 1x4o n GLU 13 Ca 0.16 0.16 -0.40 0.00 0.66 0.00 0.00 57.16 57.74 1x4o n GLU 13 Cb 0.59 -1.81 -0.09 0.00 0.27 0.00 0.00 31.44 30.41 1x4o n GLU 13 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1x4o s ASP 14 N -5.55 6.23 0.13 4.31 1.01 -1.26 -4.96 116.67 116.58 1x4o s ASP 14 Ca -0.02 -0.04 -0.19 0.00 0.71 0.00 0.00 52.55 53.01 1x4o s ASP 14 Cb 0.09 -2.21 -0.02 0.00 1.01 0.00 0.00 42.92 41.79 1x4o s ASP 14 CO 0.80 -0.32 1.75 -0.33 0.21 0.00 0.00 175.17 177.29 1x4o h GLU 15 N 8.38 0.21 -1.17 8.23 4.39 -2.01 -1.03 114.58 131.57 1x4o h GLU 15 Ca -0.30 -0.01 0.33 0.00 0.34 0.00 0.00 59.36 59.72 1x4o h GLU 15 Cb 1.14 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 29.68 1x4o h GLU 15 CO 0.69 0.14 0.81 0.93 -1.16 0.00 0.00 179.01 180.42 1x4o h GLU 16 N 0.21 0.14 0.50 2.33 5.08 -1.99 0.35 114.58 121.21 1x4o h GLU 16 Ca 0.11 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1x4o h GLU 16 Cb 0.06 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1x4o h GLU 16 CO -0.10 0.09 -0.24 0.00 -1.00 0.00 0.00 179.01 177.76 1x4o h ALA 17 N 1.49 -0.68 -1.61 3.43 0.00 -1.61 0.80 119.26 121.09 1x4o h ALA 17 Ca 0.61 -0.17 0.51 0.00 0.00 0.00 0.00 54.91 55.86 1x4o h ALA 17 Cb 2.08 0.26 -0.11 0.00 0.00 0.00 0.00 17.79 20.02 1x4o h ALA 17 CO -0.15 -0.65 1.10 1.17 0.00 0.00 0.00 179.25 180.72 1x4o n LYS 18 N -5.23 -0.02 -0.08 0.00 4.81 0.06 0.20 118.16 117.89 1x4o n LYS 18 Ca -0.09 1.15 -0.11 0.00 -0.87 0.00 0.00 58.31 58.38 1x4o n LYS 18 Cb 0.29 -2.42 -0.06 0.00 0.02 0.00 0.00 35.03 32.85 1x4o n LYS 18 CO 0.00 0.00 0.00 -0.97 1.17 0.00 0.00 177.40 177.60 1x4o h ASN 19 N 0.00 0.00 0.06 3.14 -0.73 -1.24 -3.21 115.58 113.60 1x4o h ASN 19 Ca 0.89 -0.31 0.02 0.00 1.87 0.00 0.00 56.30 58.76 1x4o h ASN 19 Cb 3.18 0.00 -0.05 0.00 0.27 0.00 0.00 38.32 41.72 1x4o h ASN 19 CO -0.26 1.01 -0.49 -0.07 -0.37 0.00 0.00 177.43 177.25 1x4o h LEU 20 N -1.00 -1.48 -0.04 0.34 3.38 0.53 0.28 115.31 117.31 1x4o h LEU 20 Ca -0.12 0.17 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1x4o h LEU 20 Cb 0.78 0.56 -0.01 0.00 0.09 0.00 0.00 40.66 42.08 1x4o h LEU 20 CO -0.08 -0.52 -0.05 0.00 0.09 0.00 0.00 178.44 177.89 1x4o h ALA 21 N -0.32 -0.30 -0.16 1.53 0.00 0.20 0.65 119.26 120.86 1x4o h ALA 21 Ca 0.02 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1x4o h ALA 21 Cb 0.72 0.79 -0.02 0.00 0.00 0.00 0.00 17.79 19.27 1x4o h ALA 21 CO -0.31 -0.32 -0.13 1.49 0.00 0.00 0.00 179.25 179.98 1x4o h GLU 22 N -0.03 -0.04 -0.65 0.00 4.81 -1.50 0.13 114.58 117.30 1x4o h GLU 22 Ca 0.01 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.30 1x4o h GLU 22 Cb 0.05 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.36 1x4o h GLU 22 CO -0.06 -0.02 -0.39 0.87 -0.73 0.00 0.00 179.01 178.68 1x4o h LYS 23 N -0.04 -0.00 -0.62 1.92 1.57 -0.10 1.56 116.57 120.85 1x4o h LYS 23 Ca 0.03 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.86 1x4o h LYS 23 Cb 0.11 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.34 1x4o h LYS 23 CO -0.17 -0.00 -0.37 -0.11 -0.57 0.00 0.00 179.45 178.23 1x4o n LEU 24 N -4.48 -0.66 0.03 2.94 -0.00 0.22 0.70 117.00 115.76 1x4o n LEU 24 Ca 0.01 1.48 -0.11 0.00 -0.00 0.00 0.00 56.01 57.39 1x4o n LEU 24 Cb 0.17 -0.33 -0.04 0.00 -0.00 0.00 0.00 43.42 43.22 1x4o n LEU 24 CO -0.10 -1.09 0.67 0.00 -0.00 0.00 0.00 177.39 176.87 1x4o h ALA 25 N -0.07 -0.35 -1.04 1.96 0.00 0.13 1.10 119.26 120.99 1x4o h ALA 25 Ca 0.10 0.01 0.33 0.00 0.00 0.00 0.00 54.91 55.35 1x4o h ALA 25 Cb 0.25 0.52 -0.14 0.00 0.00 0.00 0.00 17.79 18.42 1x4o h ALA 25 CO -0.58 -0.77 0.61 0.00 0.00 0.00 0.00 179.25 178.51 1x4o h ARG 26 N -0.40 0.29 0.00 0.00 2.47 0.50 1.55 114.38 118.80 1x4o h ARG 26 Ca 0.08 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.78 1x4o h ARG 26 Cb 0.51 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.77 1x4o h ARG 26 CO -0.29 0.20 -0.05 0.35 0.56 0.00 0.00 179.97 180.74 1x4o h PHE 27 N 0.30 0.00 -0.22 3.04 3.57 0.24 -3.10 116.94 120.77 1x4o h PHE 27 Ca 0.73 0.00 0.06 0.00 3.53 0.00 0.00 57.97 62.30 1x4o h PHE 27 Cb 1.77 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.50 1x4o h PHE 27 CO -0.01 0.00 0.49 0.82 -2.23 0.00 0.00 178.31 177.38 1x4o h ILE 28 N -0.97 0.14 -0.00 1.41 2.04 0.19 1.47 117.51 121.79 1x4o h ILE 28 Ca 0.00 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.65 1x4o h ILE 28 Cb 0.05 0.56 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1x4o h ILE 28 CO 0.00 0.00 -0.90 0.00 0.00 0.00 0.00 178.15 177.25 1x4o h ALA 29 N 1.23 0.45 0.00 1.87 0.00 0.21 -2.73 119.26 120.29 1x4o h ALA 29 Ca 0.11 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.31 1x4o h ALA 29 Cb 1.08 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1x4o h ALA 29 CO -0.00 0.86 0.00 -0.25 0.00 0.00 0.00 179.25 179.85 1x4o n ASP 30 N -3.71 0.00 0.00 0.00 9.92 0.50 -4.60 116.55 118.66 1x4o n ASP 30 Ca -0.05 0.42 0.00 0.00 -0.53 0.00 0.00 54.79 54.63 1x4o n ASP 30 Cb 0.81 -0.46 0.00 0.00 -0.64 0.00 0.00 41.12 40.83 1x4o n ASP 30 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x4o n GLY 31 N 0.03 1.22 0.00 0.44 0.00 -1.04 -5.11 105.19 100.73 1x4o n GLY 31 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 0.83 0.00 -0.02 0.00 -1.18 -4.95 105.19 104.87 1x4o n GLY 32 Ca 0.00 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.29 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 -2.46 135.00 133.35 1x4o n PRO 33 Ca 0.00 0.02 -0.25 0.00 -0.04 0.00 0.00 63.50 63.23 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 -1.91 -0.04 0.00 0.00 175.50 173.55 1x4o n GLU 34 N -1.09 0.59 -0.23 0.54 2.13 -1.26 -3.90 120.64 117.43 1x4o n GLU 34 Ca 0.16 0.38 -0.06 0.00 0.66 0.00 0.00 57.16 58.30 1x4o n GLU 34 Cb 0.11 -1.61 0.04 0.00 0.27 0.00 0.00 31.44 30.25 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 -0.87 1.21 0.00 6.31 3.04 -1.88 0.84 116.25 124.90 1x4o h VAL 35 Ca -0.54 -0.54 0.00 0.00 -1.01 0.00 0.00 66.70 64.61 1x4o h VAL 35 Cb 1.53 0.40 0.00 0.00 -2.01 0.00 0.00 31.29 31.21 1x4o h VAL 35 CO -0.29 0.23 0.00 -1.84 -1.01 0.00 0.00 177.57 174.66 1x4o n GLU 36 N -4.53 0.14 -0.11 4.17 0.28 -1.03 0.20 120.64 119.76 1x4o n GLU 36 Ca 0.05 0.54 -0.21 0.00 -0.16 0.00 0.00 57.16 57.38 1x4o n GLU 36 Cb 0.10 -1.87 -0.09 0.00 1.43 0.00 0.00 31.44 31.01 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 -2.15 1.52 -0.03 3.84 -1.04 -0.03 -3.42 114.28 112.97 1x4o n THR 37 Ca -0.00 -0.08 -0.14 0.00 -2.04 0.00 0.00 64.05 61.79 1x4o n THR 37 Cb 0.10 -2.06 -0.10 0.00 -1.82 0.00 0.00 70.33 66.44 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 1.49 -0.89 12.58 5.03 -0.61 0.33 117.51 134.43 1x4o h ILE 38 Ca -0.38 -1.71 0.10 0.00 -0.12 0.00 0.00 64.86 62.75 1x4o h ILE 38 Cb 1.27 2.51 -0.07 0.00 -3.03 0.00 0.00 36.82 37.51 1x4o h ILE 38 CO -0.23 0.47 0.58 0.00 -0.68 0.00 0.00 178.15 178.29 1x4o h ALA 39 N 0.36 1.66 0.06 1.87 0.00 0.21 -0.27 119.26 123.15 1x4o h ALA 39 Ca -0.01 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1x4o h ALA 39 Cb 0.87 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1x4o h ALA 39 CO 0.04 0.15 -0.03 -0.07 0.00 0.00 0.00 179.25 179.34 1x4o h LEU 40 N 0.86 -0.07 -1.16 0.00 3.38 -1.57 0.32 115.31 117.08 1x4o h LEU 40 Ca 0.42 -0.57 0.36 0.00 0.09 0.00 0.00 57.88 58.19 1x4o h LEU 40 Cb 0.45 0.02 -0.14 0.00 0.09 0.00 0.00 40.66 41.08 1x4o h LEU 40 CO -0.18 0.62 0.66 1.56 0.09 0.00 0.00 178.44 181.19 1x4o h GLN 41 N -0.86 0.21 0.00 1.13 4.20 0.25 0.66 115.11 120.72 1x4o h GLN 41 Ca -0.01 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 1x4o h GLN 41 Cb 0.63 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 1x4o h GLN 41 CO 0.01 0.14 -0.07 -0.91 -0.67 0.00 0.00 178.83 177.33 1x4o h ASN 42 N 0.22 0.00 -1.07 1.46 2.35 -1.09 -3.31 115.58 114.14 1x4o h ASN 42 Ca 0.76 -0.45 0.37 0.00 -0.55 0.00 0.00 56.30 56.43 1x4o h ASN 42 Cb 1.99 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 40.21 1x4o h ASN 42 CO -0.54 0.77 0.63 0.78 -1.65 0.00 0.00 177.43 177.42 1x4o h ASN 43 N -1.00 0.41 -0.90 5.81 2.35 0.11 0.12 115.58 122.47 1x4o h ASN 43 Ca -0.01 0.19 0.09 0.00 -0.55 0.00 0.00 56.30 56.01 1x4o h ASN 43 Cb 0.51 0.16 -0.12 0.00 0.05 0.00 0.00 38.32 38.92 1x4o h ASN 43 CO -0.01 -0.21 -0.57 0.03 -1.65 0.00 0.00 177.43 175.03 1x4o h ARG 44 N 0.20 -0.06 -0.62 0.81 2.47 0.15 0.44 114.38 117.76 1x4o h ARG 44 Ca 0.77 0.00 0.13 0.00 -1.26 0.00 0.00 59.98 59.62 1x4o h ARG 44 Cb 2.00 0.01 -0.10 0.00 -1.65 0.00 0.00 29.97 30.24 1x4o h ARG 44 CO -0.59 -0.04 0.07 0.93 0.56 0.00 0.00 179.97 180.90 1x4o h GLU 45 N -0.06 0.18 -6.59 0.04 5.08 -0.92 -3.39 114.58 108.91 1x4o h GLU 45 Ca 0.16 -0.01 -0.53 0.00 -1.00 0.00 0.00 59.36 57.98 1x4o h GLU 45 Cb 0.45 -0.04 0.04 0.00 0.50 0.00 0.00 28.75 29.70 1x4o h GLU 45 CO -0.89 0.12 0.81 -0.80 -1.00 0.00 0.00 179.01 177.25 1x4o s ASN 46 N -5.26 6.69 -0.00 1.42 -0.87 0.15 -4.91 114.94 112.17 1x4o s ASN 46 Ca -0.13 2.51 -0.02 0.00 -1.57 0.00 0.00 52.86 53.64 1x4o s ASN 46 Cb 0.19 -2.59 -0.27 0.00 -0.02 0.00 0.00 41.25 38.55 1x4o s ASN 46 CO 0.74 -0.74 0.84 1.56 -2.57 0.00 0.00 177.10 176.92 1x4o h GLN 47 N 6.64 0.23 -0.50 -0.60 4.20 -1.77 -3.35 115.11 119.96 1x4o h GLN 47 Ca -0.43 -0.40 0.09 0.00 0.06 0.00 0.00 58.65 57.97 1x4o h GLN 47 Cb 1.21 0.15 -0.10 0.00 0.30 0.00 0.00 27.48 29.03 1x4o h GLN 47 CO 0.88 1.09 -0.39 0.00 -0.67 0.00 0.00 178.83 179.74 1x4o h ALA 48 N 0.51 -0.26 0.00 3.87 0.00 -1.90 -2.86 119.26 118.62 1x4o h ALA 48 Ca -0.25 0.11 -0.57 0.00 0.00 0.00 0.00 54.91 54.20 1x4o h ALA 48 Cb 2.01 0.85 0.06 0.00 0.00 0.00 0.00 17.79 20.72 1x4o h ALA 48 CO 0.15 -0.78 2.08 1.19 0.00 0.00 0.00 179.25 181.89 1x4o n PHE 49 N -5.42 1.32 0.35 0.00 3.72 -1.26 -4.33 117.46 111.85 1x4o n PHE 49 Ca 0.01 -1.48 0.11 0.00 -0.05 0.00 0.00 57.45 56.04 1x4o n PHE 49 Cb 0.35 -1.44 -0.02 0.00 -0.94 0.00 0.00 39.48 37.43 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 7.27 0.56 0.00 4.37 3.41 -1.08 -3.86 113.62 124.29 1x4o n SER 50 Ca 0.46 -0.05 0.13 0.00 -0.26 0.00 0.00 58.87 59.14 1x4o n SER 50 Cb 0.35 0.94 0.69 0.00 -0.26 0.00 0.00 64.21 65.94 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 -2.18 0.00 0.07 7.33 1.16 -1.26 -1.70 117.46 120.88 1x4o n PHE 51 Ca 0.00 0.00 0.06 0.00 -1.87 0.00 0.00 57.45 55.64 1x4o n PHE 51 Cb 0.49 -0.15 -0.04 0.00 -1.61 0.00 0.00 39.48 38.17 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 0.00 0.00 5.98 3.38 -1.93 -2.92 115.31 119.81 1x4o h LEU 52 Ca 0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 1x4o h LEU 52 Cb 0.12 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1x4o h LEU 52 CO 0.00 0.30 -1.56 -1.22 0.09 0.00 0.00 178.44 176.05 1x4o n TYR 53 N -2.80 0.08 -1.55 1.13 4.01 -1.00 -4.89 117.16 112.14 1x4o n TYR 53 Ca -0.05 0.03 -0.46 0.00 -0.16 0.00 0.00 57.90 57.27 1x4o n TYR 53 Cb 0.70 -0.72 -0.04 0.00 -0.31 0.00 0.00 39.34 38.97 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 -4.39 2.92 0.00 7.72 8.00 -0.69 -4.83 116.55 125.29 1x4o n ASP 54 Ca -0.29 0.30 -0.18 0.00 0.71 0.00 0.00 54.79 55.33 1x4o n ASP 54 Cb 0.65 -1.46 -0.10 0.00 -0.02 0.00 0.00 41.12 40.19 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 14.00 0.56 -1.80 -0.24 0.13 -1.90 -3.24 132.00 139.50 1x4o h PRO 55 Ca -0.37 -0.55 -0.41 0.00 -0.87 0.00 0.00 66.00 63.81 1x4o h PRO 55 Cb 1.27 0.14 -0.15 0.00 0.13 0.00 0.00 31.00 32.39 1x4o h PRO 55 CO 0.98 1.17 0.35 -1.71 -0.23 0.00 0.00 178.00 178.56 1x4o n ASN 56 N -4.09 6.39 -4.63 1.44 5.15 -1.26 -4.47 115.26 113.78 1x4o n ASN 56 Ca -0.10 -3.10 -0.24 0.00 -0.60 0.00 0.00 54.58 50.55 1x4o n ASN 56 Cb 0.72 -1.17 -0.08 0.00 -0.53 0.00 0.00 39.78 38.72 1x4o n ASN 56 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1x4o s SER 57 N 0.40 4.52 0.27 1.20 0.01 -1.22 -5.02 113.70 113.85 1x4o s SER 57 Ca 0.48 -0.62 0.12 0.00 1.31 0.00 0.00 55.95 57.24 1x4o s SER 57 Cb 0.32 -0.84 0.33 0.00 0.21 0.00 0.00 66.02 66.04 1x4o s SER 57 CO -0.12 0.02 1.58 1.56 0.41 0.00 0.00 173.24 176.70 1x4o h GLN 58 N 2.11 0.00 0.01 12.44 4.20 -1.90 -2.22 115.11 129.75 1x4o h GLN 58 Ca -0.45 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.26 1x4o h GLN 58 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1x4o h GLN 58 CO 0.59 0.62 -0.00 0.78 -0.67 0.00 0.00 178.83 180.15 1x4o h GLY 59 N 2.13 -0.01 0.89 3.46 0.00 -1.92 -2.67 103.07 104.95 1x4o h GLY 59 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 47.33 47.35 1x4o h GLY 59 CO 0.08 -0.00 0.38 -1.82 0.00 0.00 0.00 176.54 175.18 1x4o h TYR 60 N -0.78 0.72 0.59 5.60 3.20 -1.56 0.81 116.97 125.55 1x4o h TYR 60 Ca -0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 1x4o h TYR 60 Cb 0.76 -0.23 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1x4o h TYR 60 CO 0.19 0.42 -0.38 0.00 -1.64 0.00 0.00 178.16 176.75 1x4o h ARG 61 N 0.76 -0.89 -0.02 1.82 3.08 -1.49 0.29 114.38 117.92 1x4o h ARG 61 Ca 0.25 0.06 -0.05 0.00 0.07 0.00 0.00 59.98 60.31 1x4o h ARG 61 Cb 0.01 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 1x4o h ARG 61 CO -0.10 -0.59 -0.20 -0.92 -1.07 0.00 0.00 179.97 177.09 1x4o h TYR 62 N -0.93 0.04 -0.63 3.04 5.03 -1.28 -2.37 116.97 119.88 1x4o h TYR 62 Ca -0.07 -0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.16 1x4o h TYR 62 Cb 0.76 -0.01 -0.03 0.00 1.55 0.00 0.00 36.73 39.00 1x4o h TYR 62 CO -0.11 0.24 0.09 -0.92 -1.32 0.00 0.00 178.16 176.14 1x4o h TYR 63 N 0.04 1.09 -0.06 -3.82 3.20 0.11 -2.97 116.97 114.56 1x4o h TYR 63 Ca 0.01 -0.14 -0.00 0.00 3.14 0.00 0.00 58.73 61.73 1x4o h TYR 63 Cb 0.37 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.34 1x4o h TYR 63 CO 0.00 0.92 0.03 0.00 -1.64 0.00 0.00 178.16 177.47 1x4o h ARG 64 N 0.96 0.09 -0.29 1.82 2.47 -0.42 -1.53 114.38 117.49 1x4o h ARG 64 Ca 0.19 -0.01 0.04 0.00 -1.26 0.00 0.00 59.98 58.94 1x4o h ARG 64 Cb 0.43 -0.02 -0.06 0.00 -1.65 0.00 0.00 29.97 28.67 1x4o h ARG 64 CO 0.01 0.16 -0.43 0.37 0.56 0.00 0.00 179.97 180.64 1x4o h GLN 65 N -0.00 -0.31 -0.98 0.04 -0.00 -1.38 0.47 115.11 112.96 1x4o h GLN 65 Ca 0.02 0.02 0.17 0.00 -0.00 0.00 0.00 58.65 58.87 1x4o h GLN 65 Cb 0.10 0.07 -0.09 0.00 0.00 0.00 0.00 27.48 27.55 1x4o h GLN 65 CO -0.00 -0.20 0.61 0.87 0.00 0.00 0.00 178.83 180.10 1x4o h LYS 66 N -0.32 0.72 -0.65 1.69 1.79 -1.48 0.93 116.57 119.25 1x4o h LYS 66 Ca 0.05 -0.04 0.03 0.00 -2.18 0.00 0.00 60.65 58.51 1x4o h LYS 66 Cb 0.46 -0.16 -0.04 0.00 -1.58 0.00 0.00 32.23 30.91 1x4o h LYS 66 CO -0.44 0.48 0.40 1.25 -1.08 0.00 0.00 179.45 180.05 1x4o h LEU 67 N 0.74 0.66 -0.16 2.94 5.85 0.61 0.44 115.31 126.39 1x4o h LEU 67 Ca 0.53 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 59.06 1x4o h LEU 67 Cb 0.85 -0.14 0.01 0.00 0.37 0.00 0.00 40.66 41.75 1x4o h LEU 67 CO -0.30 0.46 -0.64 -0.78 -0.34 0.00 0.00 178.44 176.83 1x4o h ASP 68 N 0.79 0.84 -0.42 1.25 3.58 0.33 0.59 116.42 123.37 1x4o h ASP 68 Ca 0.26 -0.62 0.04 0.00 0.42 0.00 0.00 57.03 57.13 1x4o h ASP 68 Cb 0.02 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.78 1x4o h ASP 68 CO -0.10 1.32 0.19 -0.08 -2.88 0.00 0.00 179.24 177.68 1x4o h GLU 69 N 0.41 0.37 0.35 0.28 4.57 0.13 0.18 114.58 120.87 1x4o h GLU 69 Ca -0.04 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1x4o h GLU 69 Cb 1.28 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.79 1x4o h GLU 69 CO 0.13 0.24 -0.17 0.74 -1.18 0.00 0.00 179.01 178.78 1x4o h PHE 70 N 0.38 -0.43 -0.86 0.92 0.04 -0.14 -3.29 116.94 113.56 1x4o h PHE 70 Ca 0.19 -0.01 0.16 0.00 2.80 0.00 0.00 57.97 61.11 1x4o h PHE 70 Cb 0.13 0.14 -0.16 0.00 2.20 0.00 0.00 35.95 38.27 1x4o h PHE 70 CO -0.12 -0.15 -0.27 0.00 -0.60 0.00 0.00 178.31 177.16 1x4o h ARG 71 N -1.04 -0.02 -6.13 1.51 3.08 -0.82 -3.46 114.38 107.50 1x4o h ARG 71 Ca -0.05 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.74 1x4o h ARG 71 Cb 0.48 0.01 0.01 0.00 0.08 0.00 0.00 29.97 30.54 1x4o h ARG 71 CO 0.08 -0.02 -0.86 1.63 -1.07 0.00 0.00 179.97 179.73 1x4o n LYS 72 N -5.53 -1.90 -1.60 0.04 4.76 0.04 -4.60 118.16 109.38 1x4o n LYS 72 Ca 0.11 1.48 0.00 0.00 -2.87 0.00 0.00 58.31 57.04 1x4o n LYS 72 Cb 0.42 -3.47 0.00 0.00 -1.84 0.00 0.00 35.03 30.14 1x4o n LYS 72 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 1x4o n SER 73 N -0.89 -8.43 0.00 4.39 7.64 -1.26 -5.08 113.62 109.99 1x4o n SER 73 Ca -0.07 1.16 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1x4o n SER 73 Cb 0.61 -4.22 0.00 0.00 -1.01 0.00 0.00 64.21 59.59 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 0.34 0.98 0.06 0.23 0.00 -1.26 -5.10 105.19 100.43 1x4o n GLY 74 Ca 0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 -0.12 -1.62 1.61 0.13 -1.98 -3.46 132.00 126.56 1x4o h PRO 75 Ca 0.00 0.01 -0.21 0.00 -0.87 0.00 0.00 66.00 64.92 1x4o h PRO 75 Cb 0.00 0.03 -0.27 0.00 0.13 0.00 0.00 31.00 30.89 1x4o h PRO 75 CO 0.00 -0.08 -0.56 -1.12 -0.23 0.00 0.00 178.00 176.01 1x4o s SER 76 N -3.61 0.20 -0.01 1.44 0.01 -1.26 -4.86 113.70 105.60 1x4o s SER 76 Ca -0.02 -0.83 -0.18 0.00 1.31 0.00 0.00 55.95 56.23 1x4o s SER 76 Cb 0.00 1.13 -0.10 0.00 0.21 0.00 0.00 66.02 67.26 1x4o s SER 76 CO 0.05 -0.29 0.80 -1.28 0.41 0.00 0.00 173.24 172.94 1x4o h SER 77 N 7.58 -0.55 -0.01 2.44 0.87 -2.01 -3.53 113.55 118.33 1x4o h SER 77 Ca -0.01 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1x4o h SER 77 Cb 1.11 0.14 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1x4o h SER 77 CO 0.21 -0.18 0.00 0.61 -0.53 0.00 0.00 176.83 176.93