#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x57 s SER 2 N 0.00 6.50 -0.40 1.61 1.04 -1.26 -4.88 113.70 116.31 1x57 s SER 2 Ca 0.00 -3.47 0.04 0.00 0.48 0.00 0.00 55.95 52.99 1x57 s SER 2 Cb 0.00 -2.05 0.11 0.00 0.10 0.00 0.00 66.02 64.18 1x57 s SER 2 CO 0.00 -0.29 0.13 -0.44 0.98 0.00 0.00 173.24 173.63 1x57 s SER 3 N 0.75 4.50 -0.37 7.02 0.01 -1.26 -4.89 113.70 119.46 1x57 s SER 3 Ca 0.26 -2.42 -0.13 0.00 1.31 0.00 0.00 55.95 54.97 1x57 s SER 3 Cb -0.10 -1.54 0.02 0.00 0.21 0.00 0.00 66.02 64.61 1x57 s SER 3 CO -0.10 -0.33 0.52 0.61 0.41 0.00 0.00 173.24 174.35 1x57 n GLY 4 N 3.89 -1.23 3.70 3.44 0.00 -1.26 -4.98 105.19 108.75 1x57 n GLY 4 Ca 0.04 1.05 -0.42 0.00 0.00 0.00 0.00 46.02 46.69 1x57 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1x57 s SER 5 N -2.39 7.20 -1.47 1.61 0.15 -1.26 -4.30 113.70 113.24 1x57 s SER 5 Ca 0.21 1.79 -0.03 0.00 0.70 0.00 0.00 55.95 58.61 1x57 s SER 5 Cb -0.06 -2.57 0.03 0.00 -1.71 0.00 0.00 66.02 61.71 1x57 s SER 5 CO 0.66 -0.42 0.46 -1.20 1.20 0.00 0.00 173.24 173.94 1x57 n SER 6 N 4.32 -0.80 -0.96 5.45 7.64 -1.26 -4.83 113.62 123.18 1x57 n SER 6 Ca 0.08 -1.02 0.00 0.00 1.01 0.00 0.00 58.87 58.94 1x57 n SER 6 Cb 0.48 -2.92 0.00 0.00 -1.01 0.00 0.00 64.21 60.76 1x57 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x57 n GLY 7 N -1.92 1.16 3.39 0.23 0.00 -1.26 -4.72 105.19 102.07 1x57 n GLY 7 Ca -0.24 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.65 1x57 n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1x57 s ASP 8 N 0.89 -0.44 0.00 1.61 2.15 -1.26 -5.08 116.67 114.53 1x57 s ASP 8 Ca 0.00 0.01 0.20 0.00 0.43 0.00 0.00 52.55 53.19 1x57 s ASP 8 Cb 0.00 0.53 0.53 0.00 -0.30 0.00 0.00 42.92 43.68 1x57 s ASP 8 CO 0.00 -0.84 1.45 -1.14 -0.17 0.00 0.00 175.17 174.46 1x57 n ARG 9 N -0.03 2.34 -3.37 4.34 3.00 -1.26 -4.60 116.66 117.08 1x57 n ARG 9 Ca -0.17 -2.07 -0.27 0.00 -0.00 0.00 0.00 57.85 55.34 1x57 n ARG 9 Cb 0.63 -1.47 -0.10 0.00 0.00 0.00 0.00 32.46 31.52 1x57 n ARG 9 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.63 179.18 1x57 n VAL 10 N 1.21 -1.14 -1.82 5.15 3.14 -1.26 -5.11 118.33 118.50 1x57 n VAL 10 Ca 0.19 -3.51 -0.42 0.00 -2.96 0.00 0.00 64.34 57.65 1x57 n VAL 10 Cb 0.51 -1.69 -0.02 0.00 -1.06 0.00 0.00 33.84 31.58 1x57 n VAL 10 CO 0.00 0.00 0.00 -0.89 -6.46 0.00 0.00 176.83 169.48 1x57 s THR 11 N -0.12 2.19 0.74 1.55 2.01 -1.26 -4.98 115.64 115.77 1x57 s THR 11 Ca 0.33 0.16 -0.15 0.00 0.31 0.00 0.00 61.69 62.34 1x57 s THR 11 Cb 0.06 -3.10 0.03 0.00 0.01 0.00 0.00 72.50 69.50 1x57 s THR 11 CO -0.19 0.02 1.14 0.18 -0.69 0.00 0.00 174.62 175.08 1x57 n LEU 12 N 2.67 4.48 -0.29 4.42 7.99 -1.26 -4.73 117.00 130.28 1x57 n LEU 12 Ca 0.10 0.67 -0.01 0.00 -0.01 0.00 0.00 56.01 56.76 1x57 n LEU 12 Cb 0.37 -1.48 0.12 0.00 -0.11 0.00 0.00 43.42 42.32 1x57 n LEU 12 CO 0.63 -1.65 1.18 -0.33 -1.51 0.00 0.00 177.39 175.71 1x57 h GLU 13 N -0.32 0.94 0.32 3.23 5.08 -1.97 -0.10 114.58 121.75 1x57 h GLU 13 Ca -0.48 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 57.81 1x57 h GLU 13 Cb 1.32 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1x57 h GLU 13 CO 0.48 0.62 -0.18 0.28 -1.00 0.00 0.00 179.01 179.21 1x57 h VAL 14 N 0.97 0.00 -0.60 3.13 2.07 -1.91 -1.51 116.25 118.39 1x57 h VAL 14 Ca 0.34 0.00 0.17 0.00 0.82 0.00 0.00 66.70 68.04 1x57 h VAL 14 Cb 0.09 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.83 1x57 h VAL 14 CO -0.14 0.00 0.45 1.23 0.02 0.00 0.00 177.57 179.13 1x57 h GLY 15 N -0.46 0.00 0.37 2.17 0.00 -1.64 -0.17 103.07 103.35 1x57 h GLY 15 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1x57 h GLY 15 CO 0.05 0.00 -0.10 1.70 0.00 0.00 0.00 176.54 178.19 1x57 h LYS 16 N 0.00 -0.27 -0.94 4.80 3.64 -0.97 -2.35 116.57 120.48 1x57 h LYS 16 Ca 0.29 0.02 0.03 0.00 -1.27 0.00 0.00 60.65 59.72 1x57 h LYS 16 Cb 1.19 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 33.02 1x57 h LYS 16 CO -0.00 0.10 0.62 0.28 -2.27 0.00 0.00 179.45 178.18 1x57 h VAL 17 N -0.91 1.17 0.45 2.00 2.07 -0.36 0.11 116.25 120.78 1x57 h VAL 17 Ca -0.03 -0.41 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1x57 h VAL 17 Cb 0.50 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.12 1x57 h VAL 17 CO 0.05 0.22 -0.45 0.40 0.02 0.00 0.00 177.57 177.80 1x57 h ILE 18 N 1.20 0.00 -0.79 4.57 2.04 -1.16 0.38 117.51 123.74 1x57 h ILE 18 Ca 0.37 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.18 1x57 h ILE 18 Cb -0.00 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.04 1x57 h ILE 18 CO -0.11 0.00 0.30 -0.61 0.00 0.00 0.00 178.15 177.73 1x57 h GLN 19 N -0.90 1.19 -0.38 2.37 4.15 -0.82 -0.75 115.11 119.96 1x57 h GLN 19 Ca -0.06 -0.22 0.03 0.00 0.77 0.00 0.00 58.65 59.17 1x57 h GLN 19 Cb 0.78 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 28.25 1x57 h GLN 19 CO -0.06 0.97 0.19 1.96 -1.93 0.00 0.00 178.83 179.96 1x57 h GLN 20 N 1.15 0.39 -0.32 1.69 4.20 -0.72 0.38 115.11 121.88 1x57 h GLN 20 Ca 0.26 -0.02 -0.08 0.00 0.06 0.00 0.00 58.65 58.87 1x57 h GLN 20 Cb 0.23 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1x57 h GLN 20 CO -0.02 0.26 -0.12 0.78 -0.67 0.00 0.00 178.83 179.06 1x57 h GLY 21 N 0.40 0.69 0.50 3.46 0.00 -0.44 -0.33 103.07 107.35 1x57 h GLY 21 Ca 0.16 -0.60 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1x57 h GLY 21 CO -0.11 0.55 -0.50 3.21 0.00 0.00 0.00 176.54 179.70 1x57 h ARG 22 N 0.41 -0.94 -0.39 4.80 3.08 -0.99 -2.83 114.38 117.53 1x57 h ARG 22 Ca 0.08 0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.22 1x57 h ARG 22 Cb 0.63 0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.87 1x57 h ARG 22 CO 0.04 -0.63 0.26 -0.56 -1.07 0.00 0.00 179.97 178.01 1x57 h GLN 23 N -0.97 0.38 0.00 0.04 3.07 -0.89 -0.42 115.11 116.32 1x57 h GLN 23 Ca -0.06 -0.02 0.00 0.00 0.09 0.00 0.00 58.65 58.66 1x57 h GLN 23 Cb 0.86 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 28.33 1x57 h GLN 23 CO -0.08 0.25 0.00 0.45 0.09 0.00 0.00 178.83 179.55 1x57 n SER 24 N -4.48 0.00 0.00 0.06 2.88 -0.14 -2.78 113.62 109.16 1x57 n SER 24 Ca 0.04 0.36 0.00 0.00 -1.33 0.00 0.00 58.87 57.94 1x57 n SER 24 Cb 0.16 -0.42 0.00 0.00 -0.75 0.00 0.00 64.21 63.20 1x57 n SER 24 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1x57 n LYS 25 N -1.42 0.82 -2.70 -1.46 5.02 -0.28 -5.01 118.16 113.13 1x57 n LYS 25 Ca 0.04 -0.74 -0.20 0.00 -2.02 0.00 0.00 58.31 55.40 1x57 n LYS 25 Cb 0.13 -0.69 0.01 0.00 -0.02 0.00 0.00 35.03 34.45 1x57 n LYS 25 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1x57 n GLY 26 N -0.15 -0.51 3.64 0.72 0.00 -0.54 -4.96 105.19 103.40 1x57 n GLY 26 Ca 0.00 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 1x57 n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x57 s LEU 27 N -6.20 4.08 0.97 0.99 1.43 -0.50 -5.00 118.68 114.44 1x57 s LEU 27 Ca 0.13 0.99 -0.14 0.00 -1.03 0.00 0.00 54.13 54.09 1x57 s LEU 27 Cb -0.06 -3.16 0.17 0.00 0.03 0.00 0.00 46.19 43.17 1x57 s LEU 27 CO 0.17 -0.51 1.14 0.28 0.23 0.00 0.00 176.35 177.65 1x57 s THR 28 N 2.83 1.95 0.29 5.49 -1.32 -1.26 -4.50 115.64 119.12 1x57 s THR 28 Ca 0.34 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.80 1x57 s THR 28 Cb -0.15 -2.69 0.21 0.00 -1.51 0.00 0.00 72.50 68.36 1x57 s THR 28 CO 0.08 0.00 1.90 1.56 -2.21 0.00 0.00 174.62 175.95 1x57 h GLN 29 N -1.73 0.97 -0.32 7.08 4.20 -1.97 -0.82 115.11 122.53 1x57 h GLN 29 Ca -0.50 -0.12 0.02 0.00 0.06 0.00 0.00 58.65 58.12 1x57 h GLN 29 Cb 1.32 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.90 1x57 h GLN 29 CO 0.56 0.73 0.21 0.87 -0.67 0.00 0.00 178.83 180.53 1x57 h LYS 30 N 0.97 0.33 -0.33 1.46 1.57 -1.93 -0.42 116.57 118.23 1x57 h LYS 30 Ca 0.24 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.84 1x57 h LYS 30 Cb 0.06 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.29 1x57 h LYS 30 CO -0.04 0.22 -0.45 -0.44 -0.57 0.00 0.00 179.45 178.18 1x57 h ASP 31 N 0.34 0.93 -0.14 0.86 3.32 -1.51 -1.54 116.42 118.68 1x57 h ASP 31 Ca 0.13 -0.45 -0.01 0.00 0.02 0.00 0.00 57.03 56.71 1x57 h ASP 31 Cb 0.08 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1x57 h ASP 31 CO -0.03 1.24 0.03 0.25 -1.72 0.00 0.00 179.24 179.01 1x57 h LEU 32 N 0.69 0.22 -0.39 1.55 7.12 -0.81 -0.34 115.31 123.35 1x57 h LEU 32 Ca 0.04 -0.23 0.08 0.00 0.13 0.00 0.00 57.88 57.90 1x57 h LEU 32 Cb 1.04 -0.06 -0.08 0.00 -0.53 0.00 0.00 40.66 41.03 1x57 h LEU 32 CO 0.10 0.39 -0.16 0.00 -0.13 0.00 0.00 178.44 178.64 1x57 h ALA 33 N 0.83 0.15 -0.25 1.25 0.00 -1.05 -1.25 119.26 118.94 1x57 h ALA 33 Ca 0.04 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1x57 h ALA 33 Cb 0.26 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1x57 h ALA 33 CO 0.00 -0.53 0.14 1.15 0.00 0.00 0.00 179.25 180.01 1x57 h THR 34 N -0.09 1.11 0.00 0.00 2.02 -1.19 0.12 112.91 114.88 1x57 h THR 34 Ca 0.19 -0.30 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1x57 h THR 34 Cb 0.38 0.86 -0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1x57 h THR 34 CO -0.45 0.11 -0.01 0.11 0.37 0.00 0.00 175.52 175.65 1x57 h LYS 35 N 0.29 0.00 -0.01 6.66 1.57 -0.02 -1.93 116.57 123.13 1x57 h LYS 35 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 1x57 h LYS 35 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1x57 h LYS 35 CO -0.01 0.01 -0.10 0.44 -0.57 0.00 0.00 179.45 179.22 1x57 n ILE 36 N -3.14 0.00 -3.59 1.86 -5.35 -0.57 -4.78 119.36 103.79 1x57 n ILE 36 Ca -0.02 -0.45 -0.21 0.00 -0.27 0.00 0.00 62.75 61.81 1x57 n ILE 36 Cb 0.17 1.17 0.00 0.00 -1.74 0.00 0.00 39.64 39.24 1x57 n ILE 36 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 1x57 n ASN 37 N 0.17 -5.61 -3.50 7.28 5.15 0.28 -5.06 115.26 113.97 1x57 n ASN 37 Ca 0.05 -0.65 -0.18 0.00 -0.60 0.00 0.00 54.58 53.20 1x57 n ASN 37 Cb 0.23 -2.51 -0.08 0.00 -0.53 0.00 0.00 39.78 36.89 1x57 n ASN 37 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1x57 s GLU 38 N -4.20 1.67 0.27 1.20 0.41 -0.36 -5.02 118.70 112.67 1x57 s GLU 38 Ca 0.05 -1.94 -0.29 0.00 -0.41 0.00 0.00 54.97 52.38 1x57 s GLU 38 Cb -0.01 0.32 -0.09 0.00 -1.78 0.00 0.00 34.13 32.57 1x57 s GLU 38 CO 0.86 -0.61 0.96 0.15 -0.49 0.00 0.00 175.26 176.13 1x57 s LYS 39 N -3.56 4.74 0.07 1.61 1.02 -1.26 -4.36 119.74 118.00 1x57 s LYS 39 Ca 0.40 1.47 0.13 0.00 0.02 0.00 0.00 55.97 57.99 1x57 s LYS 39 Cb 0.03 -3.11 0.56 0.00 -0.52 0.00 0.00 37.83 34.79 1x57 s LYS 39 CO 0.25 0.40 1.40 -0.35 -0.92 0.00 0.00 175.35 176.13 1x57 n PRO 40 N 1.14 0.04 0.13 -1.68 -0.04 -1.26 -1.30 135.00 132.04 1x57 n PRO 40 Ca -0.01 0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 1x57 n PRO 40 Cb 0.48 -1.60 0.11 0.00 -0.04 0.00 0.00 33.50 32.46 1x57 n PRO 40 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1x57 h GLN 41 N 0.00 0.00 -0.29 0.54 5.75 -1.93 -2.77 115.11 116.41 1x57 h GLN 41 Ca 0.00 0.00 -0.11 0.00 -0.15 0.00 0.00 58.65 58.39 1x57 h GLN 41 Cb 0.18 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.72 1x57 h GLN 41 CO 0.00 0.62 -0.29 -0.39 -2.65 0.00 0.00 178.83 176.12 1x57 h VAL 42 N 0.00 1.28 0.03 2.39 -1.51 -1.59 -2.18 116.25 114.66 1x57 h VAL 42 Ca -0.01 -1.38 0.00 0.00 -1.23 0.00 0.00 66.70 64.08 1x57 h VAL 42 Cb 1.27 1.37 -0.00 0.00 -2.13 0.00 0.00 31.29 31.80 1x57 h VAL 42 CO 0.08 0.44 -0.03 0.40 -1.23 0.00 0.00 177.57 177.24 1x57 h ILE 43 N 0.51 0.94 -0.17 7.19 1.08 -1.55 0.25 117.51 125.76 1x57 h ILE 43 Ca 0.06 0.00 -0.04 0.00 -0.39 0.00 0.00 64.86 64.50 1x57 h ILE 43 Cb 0.76 0.94 -0.01 0.00 -3.07 0.00 0.00 36.82 35.44 1x57 h ILE 43 CO 0.06 0.00 -0.07 0.00 -0.69 0.00 0.00 178.15 177.45 1x57 h ALA 44 N 0.91 1.57 0.00 1.87 0.00 -1.46 -1.93 119.26 120.23 1x57 h ALA 44 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.63 1x57 h ALA 44 Cb 0.06 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1x57 h ALA 44 CO -0.01 0.31 -0.55 -0.44 0.00 0.00 0.00 179.25 178.56 1x57 h ASP 45 N 0.24 0.00 -0.21 0.00 5.19 -0.67 -2.59 116.42 118.39 1x57 h ASP 45 Ca 0.05 0.00 -0.14 0.00 -0.62 0.00 0.00 57.03 56.32 1x57 h ASP 45 Cb 0.29 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 1x57 h ASP 45 CO 0.01 0.55 -0.38 1.88 -3.12 0.00 0.00 179.24 178.18 1x57 h TYR 46 N 0.00 0.88 0.29 4.55 0.05 0.20 0.91 116.97 123.86 1x57 h TYR 46 Ca -0.01 -0.25 0.00 0.00 0.05 0.00 0.00 58.73 58.52 1x57 h TYR 46 Cb 1.12 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.64 1x57 h TYR 46 CO 0.00 1.00 -0.37 0.93 -1.05 0.00 0.00 178.16 178.68 1x57 h GLU 47 N 0.61 -0.69 0.00 4.88 5.08 -1.36 -3.12 114.58 119.98 1x57 h GLU 47 Ca 0.05 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1x57 h GLU 47 Cb 0.92 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1x57 h GLU 47 CO 0.08 -0.46 0.00 0.77 -1.00 0.00 0.00 179.01 178.41 1x57 h SER 48 N -0.71 0.00 0.00 1.42 0.02 -1.15 -3.38 113.55 109.75 1x57 h SER 48 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 1x57 h SER 48 Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.21 1x57 h SER 48 CO -0.11 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.19 1x57 n GLY 49 N -0.36 1.07 0.22 -3.77 0.00 0.15 -4.93 105.19 97.57 1x57 n GLY 49 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1x57 n GLY 49 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1x57 h ARG 50 N 3.30 0.00 -6.37 1.61 3.08 -1.41 -3.39 114.38 111.19 1x57 h ARG 50 Ca 0.00 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.48 1x57 h ARG 50 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 1x57 h ARG 50 CO 0.00 0.10 0.85 0.00 -1.07 0.00 0.00 179.97 179.86 1x57 s ALA 51 N -3.30 3.43 -0.24 0.04 0.00 -0.85 -4.97 121.76 115.87 1x57 s ALA 51 Ca 0.05 -0.14 -0.29 0.00 0.00 0.00 0.00 51.96 51.57 1x57 s ALA 51 Cb 0.07 -3.71 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 1x57 s ALA 51 CO 0.65 -1.63 1.67 0.42 0.00 0.00 0.00 175.76 176.87 1x57 s ILE 52 N 3.79 3.63 -0.33 0.00 -1.09 -1.26 -4.66 121.20 121.28 1x57 s ILE 52 Ca 0.46 0.69 -0.29 0.00 -2.23 0.00 0.00 60.65 59.28 1x57 s ILE 52 Cb -0.11 -3.68 0.01 0.00 -1.58 0.00 0.00 42.46 37.09 1x57 s ILE 52 CO 0.18 -0.32 1.23 -2.16 -1.23 0.00 0.00 174.94 172.64 1x57 s PRO 53 N 4.91 3.92 0.00 2.79 0.04 -1.26 -5.00 135.00 140.40 1x57 s PRO 53 Ca 0.74 1.11 0.03 0.00 0.04 0.00 0.00 61.00 62.92 1x57 s PRO 53 Cb -0.25 -3.85 -0.03 0.00 0.04 0.00 0.00 34.50 30.41 1x57 s PRO 53 CO 0.31 -1.12 -0.06 1.21 0.04 0.00 0.00 177.00 177.38 1x57 s ASN 54 N 2.52 4.69 0.28 6.66 2.47 -1.26 -4.98 114.94 125.32 1x57 s ASN 54 Ca 0.53 -0.13 0.02 0.00 0.42 0.00 0.00 52.86 53.70 1x57 s ASN 54 Cb -0.14 -1.11 0.59 0.00 -1.45 0.00 0.00 41.25 39.14 1x57 s ASN 54 CO 0.23 0.28 1.81 -1.13 -3.72 0.00 0.00 177.10 174.57 1x57 h ASN 55 N 4.51 0.83 0.25 -4.21 -1.24 -1.98 -0.10 115.58 113.64 1x57 h ASN 55 Ca -0.48 0.07 0.00 0.00 0.71 0.00 0.00 56.30 56.59 1x57 h ASN 55 Cb 1.17 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 40.09 1x57 h ASN 55 CO 0.54 0.39 -0.49 -0.61 -1.29 0.00 0.00 177.43 175.97 1x57 h GLN 56 N 0.88 -0.77 -0.33 6.67 4.15 -1.99 -0.03 115.11 123.68 1x57 h GLN 56 Ca 0.51 0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.93 1x57 h GLN 56 Cb 0.62 0.18 -0.01 0.00 0.21 0.00 0.00 27.48 28.47 1x57 h GLN 56 CO -0.31 -0.52 0.01 0.28 -1.93 0.00 0.00 178.83 176.37 1x57 h VAL 57 N -0.80 1.25 -0.73 2.39 2.07 -1.77 -2.66 116.25 116.00 1x57 h VAL 57 Ca -0.03 -0.93 0.14 0.00 0.82 0.00 0.00 66.70 66.71 1x57 h VAL 57 Cb 0.76 1.21 -0.10 0.00 -1.52 0.00 0.00 31.29 31.65 1x57 h VAL 57 CO -0.20 0.30 0.27 -0.07 0.02 0.00 0.00 177.57 177.90 1x57 h LEU 58 N 0.38 0.22 -0.65 2.57 3.38 -0.92 0.26 115.31 120.55 1x57 h LEU 58 Ca 0.09 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.22 1x57 h LEU 58 Cb 0.42 0.10 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 1x57 h LEU 58 CO 0.01 0.08 0.39 1.23 0.09 0.00 0.00 178.44 180.24 1x57 h GLY 59 N 0.40 0.95 0.98 0.83 0.00 -0.70 -0.50 103.07 105.03 1x57 h GLY 59 Ca 0.40 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.39 1x57 h GLY 59 CO -0.41 0.21 0.07 0.50 0.00 0.00 0.00 176.54 176.91 1x57 h LYS 60 N 0.74 0.80 -0.29 4.80 1.57 -0.77 -2.39 116.57 121.04 1x57 h LYS 60 Ca 0.28 -0.22 -0.01 0.00 -1.87 0.00 0.00 60.65 58.83 1x57 h LYS 60 Cb 0.09 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1x57 h LYS 60 CO -0.14 0.81 0.15 0.82 -0.57 0.00 0.00 179.45 180.52 1x57 h ILE 61 N 0.67 1.10 -0.17 1.86 2.04 -0.58 -1.69 117.51 120.75 1x57 h ILE 61 Ca 0.15 -0.26 0.02 0.00 1.00 0.00 0.00 64.86 65.76 1x57 h ILE 61 Cb 0.40 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1x57 h ILE 61 CO 0.01 0.11 0.05 -0.33 0.00 0.00 0.00 178.15 177.99 1x57 h GLU 62 N 0.40 0.12 0.00 2.37 5.08 -0.56 -0.44 114.58 121.54 1x57 h GLU 62 Ca 0.10 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1x57 h GLU 62 Cb 0.03 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1x57 h GLU 62 CO -0.02 0.08 -0.04 0.00 -1.00 0.00 0.00 179.01 178.03 1x57 h ARG 63 N 0.12 0.00 0.48 2.33 3.08 -1.42 0.34 114.38 119.31 1x57 h ARG 63 Ca 0.07 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1x57 h ARG 63 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1x57 h ARG 63 CO -0.08 0.04 -0.23 0.00 -1.07 0.00 0.00 179.97 178.62 1x57 h ALA 64 N 1.96 -0.65 0.00 0.04 0.00 -0.15 -3.32 119.26 117.14 1x57 h ALA 64 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1x57 h ALA 64 Cb 0.46 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1x57 h ALA 64 CO 0.01 -0.86 -1.80 0.44 0.00 0.00 0.00 179.25 177.04 1x57 n ILE 65 N -5.36 0.00 -0.86 0.00 -5.35 -1.00 -5.00 119.36 101.78 1x57 n ILE 65 Ca -0.12 -0.40 0.00 0.00 -0.27 0.00 0.00 62.75 61.96 1x57 n ILE 65 Cb 0.27 0.20 0.00 0.00 -1.74 0.00 0.00 39.64 38.37 1x57 n ILE 65 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1x57 n GLY 66 N 1.32 0.53 3.39 3.28 0.00 0.12 -4.95 105.19 108.87 1x57 n GLY 66 Ca -0.02 -0.86 -0.20 0.00 0.00 0.00 0.00 46.02 44.94 1x57 n GLY 66 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x57 s LEU 67 N 0.00 2.54 0.29 0.99 1.43 -1.08 -1.98 118.68 120.86 1x57 s LEU 67 Ca 0.00 -1.08 -0.29 0.00 -1.03 0.00 0.00 54.13 51.72 1x57 s LEU 67 Cb 0.00 -0.71 -0.10 0.00 0.03 0.00 0.00 46.19 45.41 1x57 s LEU 67 CO 0.00 -0.21 1.16 -0.54 0.23 0.00 0.00 176.35 176.99 1x57 s LYS 68 N -3.66 4.56 0.00 1.70 1.02 0.98 -4.27 119.74 120.07 1x57 s LYS 68 Ca 0.26 1.92 0.00 0.00 0.02 0.00 0.00 55.97 58.17 1x57 s LYS 68 Cb 0.00 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.16 1x57 s LYS 68 CO 0.10 0.09 0.44 1.28 -0.92 0.00 0.00 175.35 176.34 1x57 n LEU 69 N 1.14 0.89 -4.32 3.17 7.99 -1.26 -1.26 117.00 123.34 1x57 n LEU 69 Ca -0.01 -0.93 -0.21 0.00 -0.01 0.00 0.00 56.01 54.85 1x57 n LEU 69 Cb 0.44 0.00 -0.11 0.00 -0.11 0.00 0.00 43.42 43.64 1x57 n LEU 69 CO 0.56 0.22 -0.48 -0.13 -1.51 0.00 0.00 177.39 176.04 1x57 s ARG 70 N -0.17 1.25 0.19 3.23 1.81 -1.26 -4.92 118.95 119.08 1x57 s ARG 70 Ca 0.00 -1.39 0.00 0.00 -1.72 0.00 0.00 55.73 52.62 1x57 s ARG 70 Cb 0.00 -1.29 0.00 0.00 -0.45 0.00 0.00 34.95 33.21 1x57 s ARG 70 CO 0.01 0.26 0.00 0.41 -0.68 0.00 0.00 175.30 175.30 1x57 n GLY 71 N 0.32 -2.86 0.00 -3.53 0.00 -1.26 -4.31 105.19 93.55 1x57 n GLY 71 Ca -0.13 -1.33 0.10 0.00 0.00 0.00 0.00 46.02 44.66 1x57 n GLY 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1x57 n LYS 72 N -2.71 0.38 0.00 1.61 5.02 -1.26 -0.78 118.16 120.43 1x57 n LYS 72 Ca -0.03 0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 1x57 n LYS 72 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 1x57 n LYS 72 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1x57 n ASP 73 N -1.21 0.16 -4.58 4.39 8.00 -1.26 -4.90 116.55 117.14 1x57 n ASP 73 Ca 0.11 -1.33 -0.49 0.00 0.71 0.00 0.00 54.79 53.79 1x57 n ASP 73 Cb 0.14 -0.08 -0.04 0.00 -0.02 0.00 0.00 41.12 41.11 1x57 n ASP 73 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1x57 n ILE 74 N -0.34 0.81 -0.52 0.53 3.06 0.04 -0.77 119.36 122.17 1x57 n ILE 74 Ca 0.00 -0.20 0.00 0.00 -2.50 0.00 0.00 62.75 60.05 1x57 n ILE 74 Cb 0.04 -0.86 0.00 0.00 0.54 0.00 0.00 39.64 39.36 1x57 n ILE 74 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1x57 n GLY 75 N 2.07 1.93 3.79 4.50 0.00 -0.39 -4.93 105.19 112.15 1x57 n GLY 75 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1x57 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x57 s LYS 76 N -0.02 3.46 0.75 1.61 -0.14 0.05 -4.78 119.74 120.67 1x57 s LYS 76 Ca 0.00 1.42 -0.11 0.00 -1.36 0.00 0.00 55.97 55.92 1x57 s LYS 76 Cb 0.00 -2.04 0.04 0.00 -1.68 0.00 0.00 37.83 34.15 1x57 s LYS 76 CO 0.00 -0.72 1.08 -1.25 -0.76 0.00 0.00 175.35 173.70 1x57 s PRO 77 N -3.49 2.47 -0.13 -1.68 0.04 -1.26 -0.01 135.00 130.93 1x57 s PRO 77 Ca 0.68 1.01 -0.07 0.00 0.04 0.00 0.00 61.00 62.67 1x57 s PRO 77 Cb -0.19 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.38 1x57 s PRO 77 CO 0.28 -1.45 0.12 0.96 0.04 0.00 0.00 177.00 176.94 1x57 s ILE 78 N -2.99 5.30 -0.95 0.56 -4.36 -0.84 -4.60 121.20 113.32 1x57 s ILE 78 Ca 0.60 0.13 0.00 0.00 -0.26 0.00 0.00 60.65 61.12 1x57 s ILE 78 Cb -0.16 -3.32 0.00 0.00 1.25 0.00 0.00 42.46 40.24 1x57 s ILE 78 CO 0.55 0.59 0.00 -1.84 0.24 0.00 0.00 174.94 174.49 1x57 n GLU 79 N 2.23 -1.58 -0.18 0.37 0.28 -1.26 -4.50 120.64 116.00 1x57 n GLU 79 Ca -0.19 0.53 -0.02 0.00 -0.16 0.00 0.00 57.16 57.32 1x57 n GLU 79 Cb 0.54 -4.84 -0.02 0.00 1.43 0.00 0.00 31.44 28.56 1x57 n GLU 79 CO 0.00 0.00 0.00 0.36 -0.16 0.00 0.00 177.13 177.33 1x57 n LYS 80 N -1.98 0.00 -0.13 3.44 2.85 -1.26 -4.91 118.16 116.17 1x57 n LYS 80 Ca -0.10 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.16 1x57 n LYS 80 Cb 0.40 -0.14 0.00 0.00 -0.65 0.00 0.00 35.03 34.64 1x57 n LYS 80 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1x57 n GLY 81 N 0.71 -0.12 3.55 2.58 0.00 -1.26 -4.92 105.19 105.74 1x57 n GLY 81 Ca 0.05 -1.77 -0.26 0.00 0.00 0.00 0.00 46.02 44.04 1x57 n GLY 81 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x57 s PRO 82 N -0.75 1.99 -0.05 1.61 0.04 -1.26 -4.89 135.00 131.68 1x57 s PRO 82 Ca 0.00 0.80 -0.02 0.00 0.04 0.00 0.00 61.00 61.82 1x57 s PRO 82 Cb 0.00 -4.69 0.03 0.00 0.04 0.00 0.00 34.50 29.88 1x57 s PRO 82 CO 0.00 -3.71 0.08 0.50 0.04 0.00 0.00 177.00 173.90 1x57 s ARG 83 N 8.29 -0.05 -0.62 4.56 3.52 -1.26 -4.95 118.95 128.44 1x57 s ARG 83 Ca 0.90 0.40 -0.22 0.00 -0.13 0.00 0.00 55.73 56.68 1x57 s ARG 83 Cb -0.14 -0.43 0.03 0.00 -1.56 0.00 0.00 34.95 32.85 1x57 s ARG 83 CO 0.16 -0.31 0.64 0.00 -0.81 0.00 0.00 175.30 174.98 1x57 n ALA 84 N 5.19 -2.53 0.00 6.12 0.00 -1.26 -4.91 120.51 123.11 1x57 n ALA 84 Ca -0.06 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.47 1x57 n ALA 84 Cb 0.50 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 18.35 1x57 n ALA 84 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1x57 n LYS 85 N -1.26 0.00 -3.45 0.00 4.81 -1.26 -5.09 118.16 111.91 1x57 n LYS 85 Ca -0.18 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.08 1x57 n LYS 85 Cb 0.68 -0.06 0.01 0.00 0.02 0.00 0.00 35.03 35.68 1x57 n LYS 85 CO 0.00 0.00 0.00 0.43 1.17 0.00 0.00 177.40 179.00 1x57 n SER 86 N -2.19 -6.11 -3.34 3.14 7.64 -1.26 -5.03 113.62 106.47 1x57 n SER 86 Ca 0.00 -0.44 0.00 0.00 1.01 0.00 0.00 58.87 59.44 1x57 n SER 86 Cb 0.00 -3.09 0.00 0.00 -1.01 0.00 0.00 64.21 60.11 1x57 n SER 86 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x57 n GLY 87 N -1.33 -2.68 0.30 0.23 0.00 -1.26 -4.87 105.19 95.58 1x57 n GLY 87 Ca -0.15 -1.34 0.21 0.00 0.00 0.00 0.00 46.02 44.73 1x57 n GLY 87 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x57 h PRO 88 N 0.00 0.00 0.00 1.61 0.13 -2.06 -3.36 132.00 128.32 1x57 h PRO 88 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1x57 h PRO 88 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1x57 h PRO 88 CO 0.00 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 176.64 1x57 n SER 89 N -2.95 0.00 0.05 1.44 3.41 -1.26 -5.10 113.62 109.21 1x57 n SER 89 Ca -0.02 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1x57 n SER 89 Cb 0.09 0.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1x57 n SER 89 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x57 n SER 90 N -2.53 -0.80 0.00 4.04 2.88 -1.26 -4.89 113.62 111.06 1x57 n SER 90 Ca 0.00 0.20 0.00 0.00 -1.33 0.00 0.00 58.87 57.74 1x57 n SER 90 Cb 0.00 1.03 0.00 0.00 -0.75 0.00 0.00 64.21 64.49 1x57 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42