#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 1.24 0.00 1.61 7.64 -1.26 -4.97 113.62 117.88 1x4o n SER 2 Ca 0.00 0.98 0.00 0.00 1.01 0.00 0.00 58.87 60.86 1x4o n SER 2 Cb 0.00 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 61.82 1x4o n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x4o n SER 3 N 0.13 0.00 -3.15 6.43 7.64 -1.26 -5.15 113.62 118.26 1x4o n SER 3 Ca 0.10 0.00 0.04 0.00 1.01 0.00 0.00 58.87 60.02 1x4o n SER 3 Cb 0.42 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.61 1x4o n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x4o s GLY 4 N 0.00 -1.00 -0.39 0.23 0.00 -1.26 -5.10 107.32 99.80 1x4o s GLY 4 Ca 0.00 1.72 0.02 0.00 0.00 0.00 0.00 44.72 46.46 1x4o s GLY 4 CO 0.00 3.65 0.27 -0.45 0.00 0.00 0.00 173.10 176.56 1x4o s SER 5 N 2.87 2.56 -0.26 1.64 0.15 -1.26 -5.07 113.70 114.34 1x4o s SER 5 Ca 0.15 -2.58 -0.03 0.00 0.70 0.00 0.00 55.95 54.19 1x4o s SER 5 Cb -0.11 -0.51 0.15 0.00 -1.71 0.00 0.00 66.02 63.84 1x4o s SER 5 CO -0.22 -0.25 0.46 -0.94 1.20 0.00 0.00 173.24 173.49 1x4o s SER 6 N 0.58 -0.35 0.35 5.45 1.04 -1.26 -5.16 113.70 114.36 1x4o s SER 6 Ca 0.23 0.53 -0.04 0.00 0.48 0.00 0.00 55.95 57.15 1x4o s SER 6 Cb -0.13 1.50 0.02 0.00 0.10 0.00 0.00 66.02 67.50 1x4o s SER 6 CO -0.07 -0.28 0.53 0.61 0.98 0.00 0.00 173.24 175.02 1x4o n GLY 7 N 5.39 1.91 2.86 7.32 0.00 -1.26 -5.16 105.19 116.25 1x4o n GLY 7 Ca -0.03 -1.54 -0.22 0.00 0.00 0.00 0.00 46.02 44.22 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 -2.66 0.89 0.38 1.61 -2.85 -1.26 -5.14 119.74 110.71 1x4o s LYS 8 Ca 0.26 -0.07 0.04 0.00 -1.00 0.00 0.00 55.97 55.19 1x4o s LYS 8 Cb -0.02 -1.00 -0.03 0.00 -2.06 0.00 0.00 37.83 34.71 1x4o s LYS 8 CO 0.19 -0.17 0.11 0.14 0.10 0.00 0.00 175.35 175.72 1x4o s VAL 9 N 1.33 0.71 0.36 1.79 -7.23 -1.26 -5.17 120.40 110.92 1x4o s VAL 9 Ca -0.04 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.21 1x4o s VAL 9 Cb -0.14 -2.47 -0.05 0.00 0.56 0.00 0.00 36.38 34.29 1x4o s VAL 9 CO -0.02 0.00 0.11 -0.94 -0.31 0.00 0.00 175.10 173.94 1x4o s SER 10 N -3.55 4.47 0.81 4.85 1.04 -1.26 -5.09 113.70 114.97 1x4o s SER 10 Ca 0.28 -0.91 -0.12 0.00 0.48 0.00 0.00 55.95 55.68 1x4o s SER 10 Cb 0.04 -0.61 0.08 0.00 0.10 0.00 0.00 66.02 65.63 1x4o s SER 10 CO 0.15 -0.34 1.10 -2.16 0.98 0.00 0.00 173.24 172.97 1x4o s PRO 11 N -3.82 1.95 1.07 4.02 0.04 -1.26 -4.63 135.00 132.38 1x4o s PRO 11 Ca 0.38 0.59 -0.17 0.00 0.04 0.00 0.00 61.00 61.83 1x4o s PRO 11 Cb -0.00 -1.91 0.24 0.00 0.04 0.00 0.00 34.50 32.87 1x4o s PRO 11 CO 0.22 -1.70 1.22 -1.25 0.04 0.00 0.00 177.00 175.52 1x4o s PRO 12 N -5.17 -0.21 -0.21 0.56 0.04 -1.26 -4.80 135.00 123.95 1x4o s PRO 12 Ca 0.61 -0.22 -0.16 0.00 0.04 0.00 0.00 61.00 61.27 1x4o s PRO 12 Cb -0.14 -1.73 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 1x4o s PRO 12 CO 0.54 -3.01 -0.27 0.39 0.04 0.00 0.00 177.00 174.69 1x4o n GLU 13 N -4.23 0.54 -1.63 4.56 1.02 -1.26 -4.89 120.64 114.75 1x4o n GLU 13 Ca 0.14 0.31 -0.45 0.00 -0.02 0.00 0.00 57.16 57.14 1x4o n GLU 13 Cb 0.59 -1.52 -0.04 0.00 -0.02 0.00 0.00 31.44 30.46 1x4o n GLU 13 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1x4o n ASP 14 N -4.42 3.53 0.25 1.62 9.92 -1.26 -4.86 116.55 121.33 1x4o n ASP 14 Ca -0.27 0.66 -0.16 0.00 -0.53 0.00 0.00 54.79 54.50 1x4o n ASP 14 Cb 0.60 -1.47 -0.08 0.00 -0.64 0.00 0.00 41.12 39.53 1x4o n ASP 14 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1x4o h GLU 15 N 11.77 -0.71 -1.78 -1.24 4.81 -2.00 -1.16 114.58 124.28 1x4o h GLU 15 Ca -0.45 0.05 0.53 0.00 -0.13 0.00 0.00 59.36 59.36 1x4o h GLU 15 Cb 1.26 0.16 -0.09 0.00 0.63 0.00 0.00 28.75 30.71 1x4o h GLU 15 CO 0.96 -0.47 1.26 0.93 -0.73 0.00 0.00 179.01 180.96 1x4o h GLU 16 N -0.73 0.01 0.12 1.92 5.08 -2.00 0.72 114.58 119.70 1x4o h GLU 16 Ca -0.04 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.31 1x4o h GLU 16 Cb 0.63 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1x4o h GLU 16 CO 0.00 0.01 -0.06 0.00 -1.00 0.00 0.00 179.01 177.96 1x4o h ALA 17 N 1.16 -0.17 -1.61 3.43 0.00 -1.61 0.90 119.26 121.37 1x4o h ALA 17 Ca 0.88 -0.21 0.47 0.00 0.00 0.00 0.00 54.91 56.05 1x4o h ALA 17 Cb 3.42 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 21.21 1x4o h ALA 17 CO -0.09 -0.20 1.26 -0.22 0.00 0.00 0.00 179.25 180.00 1x4o h LYS 18 N -0.94 0.00 0.00 0.00 3.64 0.11 1.23 116.57 120.61 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 0.48 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 1x4o h LYS 18 CO 0.03 0.00 -0.98 -0.97 -2.27 0.00 0.00 179.45 175.26 1x4o h ASN 19 N 0.00 0.00 0.10 4.20 -1.24 -1.29 -3.26 115.58 114.09 1x4o h ASN 19 Ca 0.76 -0.36 0.02 0.00 0.71 0.00 0.00 56.30 57.43 1x4o h ASN 19 Cb 3.28 0.00 -0.05 0.00 0.73 0.00 0.00 38.32 42.28 1x4o h ASN 19 CO -0.01 1.24 -0.43 -0.07 -1.29 0.00 0.00 177.43 176.87 1x4o h LEU 20 N -1.00 -1.29 -0.32 0.34 3.38 0.25 0.22 115.31 116.89 1x4o h LEU 20 Ca -0.23 0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.92 1x4o h LEU 20 Cb 1.03 0.49 -0.05 0.00 0.09 0.00 0.00 40.66 42.22 1x4o h LEU 20 CO -0.14 -0.49 -0.34 0.00 0.09 0.00 0.00 178.44 177.56 1x4o h ALA 21 N -0.19 -0.54 -0.05 1.53 0.00 0.10 0.70 119.26 120.81 1x4o h ALA 21 Ca 0.02 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1x4o h ALA 21 Cb 0.69 1.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 1x4o h ALA 21 CO -0.26 -0.72 -0.09 1.49 0.00 0.00 0.00 179.25 179.67 1x4o h GLU 22 N -0.19 -0.07 -0.26 0.00 4.81 -1.51 0.50 114.58 117.86 1x4o h GLU 22 Ca 0.05 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1x4o h GLU 22 Cb 0.33 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.70 1x4o h GLU 22 CO -0.40 -0.05 -0.17 -0.22 -0.73 0.00 0.00 179.01 177.44 1x4o h LYS 23 N -0.08 -0.02 -0.86 1.92 3.11 -0.15 1.55 116.57 122.05 1x4o h LYS 23 Ca 0.01 0.00 0.08 0.00 -2.81 0.00 0.00 60.65 57.93 1x4o h LYS 23 Cb 0.10 0.01 -0.11 0.00 -1.00 0.00 0.00 32.23 31.23 1x4o h LYS 23 CO -0.09 -0.01 -0.53 1.25 -2.81 0.00 0.00 179.45 177.26 1x4o h LEU 24 N -0.02 -1.94 0.11 5.20 7.12 0.72 0.39 115.31 126.88 1x4o h LEU 24 Ca 0.04 0.29 0.01 0.00 0.13 0.00 0.00 57.88 58.36 1x4o h LEU 24 Cb 0.13 0.85 -0.04 0.00 -0.53 0.00 0.00 40.66 41.07 1x4o h LEU 24 CO -0.26 -0.22 -0.48 0.00 -0.13 0.00 0.00 178.44 177.35 1x4o h ALA 25 N 0.31 -0.96 -1.00 1.25 0.00 0.19 0.76 119.26 119.81 1x4o h ALA 25 Ca 0.14 -0.10 0.31 0.00 0.00 0.00 0.00 54.91 55.26 1x4o h ALA 25 Cb 0.39 0.86 -0.18 0.00 0.00 0.00 0.00 17.79 18.86 1x4o h ALA 25 CO -0.82 -1.08 0.16 0.54 0.00 0.00 0.00 179.25 178.05 1x4o n ARG 26 N -5.20 -0.07 0.19 0.00 1.74 0.51 0.20 116.66 114.03 1x4o n ARG 26 Ca -0.08 1.47 -0.09 0.00 -0.77 0.00 0.00 57.85 58.38 1x4o n ARG 26 Cb 0.38 -2.41 -0.05 0.00 -1.02 0.00 0.00 32.46 29.36 1x4o n ARG 26 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 1x4o h PHE 27 N 0.00 -0.51 -0.97 -1.55 3.57 0.13 -2.76 116.94 114.85 1x4o h PHE 27 Ca 0.67 -0.01 0.27 0.00 3.53 0.00 0.00 57.97 62.43 1x4o h PHE 27 Cb 1.52 0.17 -0.05 0.00 2.79 0.00 0.00 35.95 40.37 1x4o h PHE 27 CO -0.38 -0.29 0.68 0.82 -2.23 0.00 0.00 178.31 176.92 1x4o h ILE 28 N -1.13 0.54 -0.14 1.41 2.04 0.24 1.47 117.51 121.95 1x4o h ILE 28 Ca -0.06 -0.04 -0.09 0.00 1.00 0.00 0.00 64.86 65.68 1x4o h ILE 28 Cb 0.45 0.41 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1x4o h ILE 28 CO 0.09 0.02 -0.30 0.00 0.00 0.00 0.00 178.15 177.96 1x4o h ALA 29 N 1.54 1.24 0.00 1.87 0.00 0.23 -0.78 119.26 123.36 1x4o h ALA 29 Ca 0.48 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1x4o h ALA 29 Cb 1.71 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1x4o h ALA 29 CO -0.07 0.51 0.00 -3.47 0.00 0.00 0.00 179.25 176.22 1x4o n ASP 30 N -4.11 0.00 0.00 0.00 -0.08 0.50 -4.65 116.55 108.21 1x4o n ASP 30 Ca -0.01 0.45 0.00 0.00 -1.51 0.00 0.00 54.79 53.72 1x4o n ASP 30 Cb 0.40 -0.48 0.00 0.00 2.34 0.00 0.00 41.12 43.38 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 0.35 1.32 0.00 0.27 0.00 -0.31 -5.11 105.19 101.71 1x4o n GLY 31 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 0.77 0.00 -0.02 0.00 -1.13 -4.94 105.19 104.86 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 0.59 -0.10 1.61 -0.04 -1.26 -2.20 135.00 133.61 1x4o n PRO 33 Ca 0.00 0.03 -0.23 0.00 -0.04 0.00 0.00 63.50 63.25 1x4o n PRO 33 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 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 -1.10 0.64 -0.16 0.54 2.13 -1.26 -4.10 120.64 117.32 1x4o n GLU 34 Ca 0.15 0.31 -0.11 0.00 0.66 0.00 0.00 57.16 58.18 1x4o n GLU 34 Cb 0.12 -1.61 -0.00 0.00 0.27 0.00 0.00 31.44 30.21 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 -0.52 1.27 0.00 6.31 3.04 -1.88 -1.78 116.25 122.70 1x4o h VAL 35 Ca -0.52 -1.22 0.00 0.00 -1.01 0.00 0.00 66.70 63.94 1x4o h VAL 35 Cb 1.70 1.10 0.00 0.00 -2.01 0.00 0.00 31.29 32.09 1x4o h VAL 35 CO -0.18 0.42 0.06 -1.84 -1.01 0.00 0.00 177.57 175.03 1x4o n GLU 36 N -4.25 0.12 -0.05 4.17 0.28 -0.93 0.17 120.64 120.14 1x4o n GLU 36 Ca -0.00 0.61 -0.04 0.00 -0.16 0.00 0.00 57.16 57.57 1x4o n GLU 36 Cb 0.38 -1.95 -0.01 0.00 1.43 0.00 0.00 31.44 31.29 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 0.92 -0.30 3.84 -1.04 -0.73 -3.15 114.28 111.67 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 0.09 -2.07 0.07 0.00 -1.82 0.00 0.00 70.33 66.61 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 -0.64 1.24 -0.01 12.58 5.03 -1.14 1.10 117.51 135.67 1x4o h ILE 38 Ca 0.00 -0.59 -0.00 0.00 -0.12 0.00 0.00 64.86 64.15 1x4o h ILE 38 Cb 0.40 0.14 -0.00 0.00 -3.03 0.00 0.00 36.82 34.33 1x4o h ILE 38 CO 0.00 0.26 0.01 0.00 -0.68 0.00 0.00 178.15 177.74 1x4o h ALA 39 N 1.24 0.02 0.23 1.87 0.00 0.14 0.39 119.26 123.14 1x4o h ALA 39 Ca 0.29 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1x4o h ALA 39 Cb 0.02 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1x4o h ALA 39 CO -0.05 -0.46 -0.11 -0.07 0.00 0.00 0.00 179.25 178.56 1x4o h LEU 40 N -0.04 -0.26 -1.51 0.00 3.38 -1.41 -2.00 115.31 113.48 1x4o h LEU 40 Ca 0.00 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1x4o h LEU 40 Cb 0.05 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1x4o h LEU 40 CO -0.00 0.03 0.03 -0.61 0.09 0.00 0.00 178.44 177.97 1x4o h GLN 41 N -0.55 0.00 0.26 1.13 4.15 0.14 0.14 115.11 120.37 1x4o h GLN 41 Ca -0.03 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 1x4o h GLN 41 Cb 0.41 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.10 1x4o h GLN 41 CO 0.05 0.00 -0.12 -0.97 -1.93 0.00 0.00 178.83 175.86 1x4o h ASN 42 N 0.00 -0.29 0.04 -0.69 -0.73 0.52 -3.18 115.58 111.26 1x4o h ASN 42 Ca 0.00 -0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.06 1x4o h ASN 42 Cb 0.05 0.08 0.00 0.00 0.27 0.00 0.00 38.32 38.72 1x4o h ASN 42 CO 0.00 0.20 0.00 -0.46 -0.37 0.00 0.00 177.43 176.80 1x4o n ASN 43 N -5.00 0.00 -0.33 1.15 0.23 -0.79 -3.98 115.26 106.54 1x4o n ASN 43 Ca -0.06 -0.80 0.04 0.00 -0.53 0.00 0.00 54.58 53.22 1x4o n ASN 43 Cb 0.19 -0.03 0.10 0.00 -2.08 0.00 0.00 39.78 37.97 1x4o n ASN 43 CO 0.00 0.00 0.00 -1.14 -0.93 0.00 0.00 177.26 175.19 1x4o n ARG 44 N -1.03 -0.12 -0.01 -3.83 0.63 0.43 0.30 116.66 113.04 1x4o n ARG 44 Ca 0.20 1.39 -0.13 0.00 -0.92 0.00 0.00 57.85 58.39 1x4o n ARG 44 Cb 0.11 -2.07 -0.10 0.00 0.45 0.00 0.00 32.46 30.85 1x4o n ARG 44 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1x4o h GLU 45 N 0.00 -0.00 -6.64 -0.14 5.08 -1.80 -3.43 114.58 107.64 1x4o h GLU 45 Ca 0.39 0.00 -0.54 0.00 -1.00 0.00 0.00 59.36 58.21 1x4o h GLU 45 Cb 0.62 0.00 0.07 0.00 0.50 0.00 0.00 28.75 29.93 1x4o h GLU 45 CO -0.91 0.47 0.91 0.09 -1.00 0.00 0.00 179.01 178.56 1x4o n ASN 46 N -4.87 3.66 -0.05 1.42 3.02 0.15 -4.89 115.26 113.71 1x4o n ASN 46 Ca -0.08 1.09 -0.10 0.00 -0.03 0.00 0.00 54.58 55.45 1x4o n ASN 46 Cb 0.24 -1.53 -0.15 0.00 -0.61 0.00 0.00 39.78 37.73 1x4o n ASN 46 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1x4o n GLN 47 N 3.35 0.66 -0.30 3.52 6.02 -1.26 -4.18 117.38 125.19 1x4o n GLN 47 Ca 0.15 0.20 0.15 0.00 -0.01 0.00 0.00 57.00 57.48 1x4o n GLN 47 Cb 0.33 -1.70 0.32 0.00 1.02 0.00 0.00 30.24 30.21 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 0.92 1.39 -0.06 -1.58 0.00 -1.92 0.30 119.26 118.30 1x4o h ALA 48 Ca -0.38 0.21 -0.34 0.00 0.00 0.00 0.00 54.91 54.40 1x4o h ALA 48 Cb 2.08 0.28 -0.06 0.00 0.00 0.00 0.00 17.79 20.10 1x4o h ALA 48 CO 0.06 -0.47 0.73 1.19 0.00 0.00 0.00 179.25 180.76 1x4o n PHE 49 N -5.19 0.77 0.57 0.00 3.01 -1.26 -4.22 117.46 111.14 1x4o n PHE 49 Ca 0.23 -1.94 0.12 0.00 1.01 0.00 0.00 57.45 56.87 1x4o n PHE 49 Cb 0.72 -1.79 0.17 0.00 -0.01 0.00 0.00 39.48 38.57 1x4o n PHE 49 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1x4o n SER 50 N 2.59 0.70 0.03 4.37 3.41 0.09 -3.66 113.62 121.15 1x4o n SER 50 Ca 0.52 0.13 0.05 0.00 -0.26 0.00 0.00 58.87 59.31 1x4o n SER 50 Cb 0.71 0.15 0.25 0.00 -0.26 0.00 0.00 64.21 65.06 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 -2.12 0.18 0.08 7.33 1.16 -1.26 0.41 117.46 123.25 1x4o n PHE 51 Ca 0.03 0.08 -0.05 0.00 -1.87 0.00 0.00 57.45 55.65 1x4o n PHE 51 Cb 0.44 -0.63 -0.06 0.00 -1.61 0.00 0.00 39.48 37.62 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 -2.96 115.31 119.78 1x4o h LEU 52 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1x4o h LEU 52 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1x4o h LEU 52 CO 0.00 0.87 -0.53 -1.22 0.09 0.00 0.00 178.44 177.65 1x4o n TYR 53 N -3.38 0.00 -1.43 1.13 4.01 -0.25 -4.94 117.16 112.30 1x4o n TYR 53 Ca 0.00 0.00 -0.46 0.00 -0.16 0.00 0.00 57.90 57.28 1x4o n TYR 53 Cb 0.87 -0.26 -0.14 0.00 -0.31 0.00 0.00 39.34 39.49 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 -3.91 0.49 0.02 7.72 9.92 0.17 -4.75 116.55 126.21 1x4o n ASP 54 Ca -0.07 0.30 -0.18 0.00 -0.53 0.00 0.00 54.79 54.31 1x4o n ASP 54 Cb 0.28 -0.94 -0.08 0.00 -0.64 0.00 0.00 41.12 39.74 1x4o n ASP 54 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1x4o h PRO 55 N 11.38 0.68 -0.83 -0.24 0.13 -1.89 -3.22 132.00 138.01 1x4o h PRO 55 Ca -0.07 -0.66 0.20 0.00 -0.87 0.00 0.00 66.00 64.59 1x4o h PRO 55 Cb 1.34 0.17 -0.12 0.00 0.13 0.00 0.00 31.00 32.52 1x4o h PRO 55 CO 1.30 1.26 0.28 -0.91 -0.23 0.00 0.00 178.00 179.70 1x4o h ASN 56 N 0.42 0.16 -2.69 1.44 4.21 -1.99 -3.39 115.58 113.73 1x4o h ASN 56 Ca -0.09 0.16 -0.53 0.00 1.21 0.00 0.00 56.30 57.05 1x4o h ASN 56 Cb 1.57 0.18 0.03 0.00 -1.12 0.00 0.00 38.32 38.98 1x4o h ASN 56 CO 0.18 -0.04 0.99 -0.55 -1.29 0.00 0.00 177.43 176.72 1x4o s SER 57 N -5.19 6.56 0.58 5.81 0.15 -1.22 -4.85 113.70 115.54 1x4o s SER 57 Ca -0.12 2.58 0.30 0.00 0.70 0.00 0.00 55.95 59.41 1x4o s SER 57 Cb 0.24 -2.57 1.80 0.00 -1.71 0.00 0.00 66.02 63.78 1x4o s SER 57 CO 0.77 -0.89 2.23 -0.61 1.20 0.00 0.00 173.24 175.94 1x4o h GLN 58 N 7.93 0.00 -0.08 5.44 5.75 -1.88 -2.68 115.11 129.59 1x4o h GLN 58 Ca -0.43 0.00 0.04 0.00 -0.15 0.00 0.00 58.65 58.11 1x4o h GLN 58 Cb 1.20 0.00 -0.06 0.00 1.07 0.00 0.00 27.48 29.70 1x4o h GLN 58 CO 0.93 0.02 -0.30 0.78 -2.65 0.00 0.00 178.83 177.61 1x4o h GLY 59 N 0.14 -0.43 -0.66 2.39 0.00 -1.87 -1.64 103.07 101.02 1x4o h GLY 59 Ca -0.00 0.36 0.20 0.00 0.00 0.00 0.00 47.33 47.89 1x4o h GLY 59 CO 0.00 -0.22 -0.08 -1.82 0.00 0.00 0.00 176.54 174.42 1x4o h TYR 60 N -0.40 -0.22 0.23 5.60 3.20 -1.29 0.50 116.97 124.58 1x4o h TYR 60 Ca 0.08 0.07 -0.00 0.00 3.14 0.00 0.00 58.73 62.02 1x4o h TYR 60 Cb 0.53 0.23 -0.01 0.00 1.54 0.00 0.00 36.73 39.02 1x4o h TYR 60 CO -0.36 -0.34 -0.17 0.00 -1.64 0.00 0.00 178.16 175.65 1x4o h ARG 61 N 0.04 -0.39 -0.12 1.82 3.08 -1.46 0.26 114.38 117.60 1x4o h ARG 61 Ca 0.46 0.03 0.04 0.00 0.07 0.00 0.00 59.98 60.57 1x4o h ARG 61 Cb 0.81 0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 1x4o h ARG 61 CO -0.82 -0.26 0.10 -0.92 -1.07 0.00 0.00 179.97 177.00 1x4o h TYR 62 N -0.41 0.00 0.07 3.04 5.03 0.10 0.18 116.97 124.99 1x4o h TYR 62 Ca -0.01 0.00 -0.27 0.00 2.58 0.00 0.00 58.73 61.03 1x4o h TYR 62 Cb 0.36 0.00 0.03 0.00 1.55 0.00 0.00 36.73 38.66 1x4o h TYR 62 CO -0.11 0.00 -1.10 -0.92 -1.32 0.00 0.00 178.16 174.70 1x4o h TYR 63 N 0.00 0.97 -0.42 -3.82 5.03 0.83 -2.89 116.97 116.67 1x4o h TYR 63 Ca 0.06 -0.58 -0.15 0.00 2.58 0.00 0.00 58.73 60.64 1x4o h TYR 63 Cb 0.26 -0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.44 1x4o h TYR 63 CO 0.00 1.42 -0.33 0.00 -1.32 0.00 0.00 178.16 177.93 1x4o h ARG 64 N 0.25 0.97 0.53 1.82 2.47 0.57 -2.90 114.38 118.09 1x4o h ARG 64 Ca -0.16 -0.48 -0.02 0.00 -1.26 0.00 0.00 59.98 58.07 1x4o h ARG 64 Cb 1.78 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 30.09 1x4o h ARG 64 CO 0.21 1.14 -0.37 0.37 0.56 0.00 0.00 179.97 181.89 1x4o h GLN 65 N 0.81 -0.83 -1.01 0.04 4.15 -0.77 -1.23 115.11 116.26 1x4o h GLN 65 Ca 0.08 0.06 0.27 0.00 0.77 0.00 0.00 58.65 59.82 1x4o h GLN 65 Cb 0.92 0.19 -0.13 0.00 0.21 0.00 0.00 27.48 28.67 1x4o h GLN 65 CO 0.09 -0.56 0.60 0.87 -1.93 0.00 0.00 178.83 177.90 1x4o h LYS 66 N -0.87 0.48 0.75 1.69 1.79 -1.53 1.13 116.57 120.02 1x4o h LYS 66 Ca -0.06 -0.03 -0.04 0.00 -2.18 0.00 0.00 60.65 58.35 1x4o h LYS 66 Cb 0.72 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 1x4o h LYS 66 CO 0.03 0.32 -0.40 1.25 -1.08 0.00 0.00 179.45 179.57 1x4o h LEU 67 N 0.50 -0.98 -1.46 2.94 5.85 -1.13 0.62 115.31 121.64 1x4o h LEU 67 Ca 0.66 0.04 0.07 0.00 0.84 0.00 0.00 57.88 59.50 1x4o h LEU 67 Cb 1.38 0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.64 1x4o h LEU 67 CO -0.49 -0.65 0.45 -0.78 -0.34 0.00 0.00 178.44 176.63 1x4o h ASP 68 N -1.06 0.57 0.58 1.25 1.82 0.08 0.52 116.42 120.19 1x4o h ASP 68 Ca -0.10 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.52 1x4o h ASP 68 Cb 0.83 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.71 1x4o h ASP 68 CO 0.14 0.36 -0.48 -0.08 -1.61 0.00 0.00 179.24 177.57 1x4o h GLU 69 N 0.65 -0.99 -0.13 0.28 4.22 0.17 -1.37 114.58 117.40 1x4o h GLU 69 Ca 0.30 0.07 -0.02 0.00 0.08 0.00 0.00 59.36 59.79 1x4o h GLU 69 Cb 0.33 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 1x4o h GLU 69 CO -0.10 -0.66 0.01 0.74 -2.18 0.00 0.00 179.01 176.82 1x4o h PHE 70 N -1.03 0.24 -0.93 0.92 0.04 -0.42 -2.00 116.94 113.76 1x4o h PHE 70 Ca -0.08 -0.04 0.13 0.00 2.80 0.00 0.00 57.97 60.78 1x4o h PHE 70 Cb 0.87 -0.06 -0.14 0.00 2.20 0.00 0.00 35.95 38.81 1x4o h PHE 70 CO -0.19 0.44 -0.45 0.00 -0.60 0.00 0.00 178.31 177.50 1x4o h ARG 71 N -0.03 -0.04 0.00 1.51 3.08 0.10 -2.57 114.38 116.43 1x4o h ARG 71 Ca 0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1x4o h ARG 71 Cb 0.34 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.40 1x4o h ARG 71 CO 0.00 -0.02 0.00 1.63 -1.07 0.00 0.00 179.97 180.51 1x4o n LYS 72 N -5.40 0.00 -0.67 0.04 4.76 -0.52 -5.04 118.16 111.32 1x4o n LYS 72 Ca 0.06 0.45 0.00 0.00 -2.87 0.00 0.00 58.31 55.95 1x4o n LYS 72 Cb 0.35 -1.35 0.00 0.00 -1.84 0.00 0.00 35.03 32.19 1x4o n LYS 72 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1x4o n SER 73 N -1.84 -3.26 0.00 4.39 2.88 -0.76 -5.11 113.62 109.92 1x4o n SER 73 Ca 0.00 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1x4o n SER 73 Cb 0.00 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.13 1x4o n SER 73 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x4o n GLY 74 N 0.18 -0.36 3.56 0.46 0.00 -1.26 -5.08 105.19 102.69 1x4o n GLY 74 Ca 0.00 0.36 -0.36 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 3.03 -0.07 1.61 0.04 -1.26 -4.81 135.00 133.54 1x4o s PRO 75 Ca 0.00 -0.46 -0.07 0.00 0.04 0.00 0.00 61.00 60.51 1x4o s PRO 75 Cb 0.00 -4.95 -0.04 0.00 0.04 0.00 0.00 34.50 29.55 1x4o s PRO 75 CO 0.00 -2.68 0.30 0.66 0.04 0.00 0.00 177.00 175.32 1x4o h SER 76 N 11.08 -0.21 -3.43 6.66 4.64 -2.05 -3.48 113.55 126.76 1x4o h SER 76 Ca 0.03 -0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.37 1x4o h SER 76 Cb 1.04 0.05 -0.24 0.00 -0.31 0.00 0.00 62.40 62.94 1x4o h SER 76 CO 1.30 0.26 0.29 -0.44 -0.87 0.00 0.00 176.83 177.38 1x4o s SER 77 N -5.27 -0.61 0.00 4.97 0.01 -1.26 -5.36 113.70 106.18 1x4o s SER 77 Ca -0.04 1.13 0.00 0.00 1.31 0.00 0.00 55.95 58.35 1x4o s SER 77 Cb 0.00 1.17 0.00 0.00 0.21 0.00 0.00 66.02 67.40 1x4o s SER 77 CO 0.12 -0.19 0.00 0.61 0.41 0.00 0.00 173.24 174.19