#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x57 n SER 2 N 0.00 -5.41 -2.53 1.61 7.64 -1.26 -5.08 113.62 108.59 1x57 n SER 2 Ca 0.00 0.66 -0.11 0.00 1.01 0.00 0.00 58.87 60.43 1x57 n SER 2 Cb 0.00 -3.52 -0.02 0.00 -1.01 0.00 0.00 64.21 59.67 1x57 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x57 n SER 3 N -4.20 -1.20 -4.28 6.43 2.88 -1.26 -5.21 113.62 106.78 1x57 n SER 3 Ca -0.03 -2.44 -0.28 0.00 -1.33 0.00 0.00 58.87 54.80 1x57 n SER 3 Cb 0.61 2.18 -0.08 0.00 -0.75 0.00 0.00 64.21 66.17 1x57 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x57 s GLY 4 N -2.68 2.73 0.03 0.46 0.00 -1.26 -5.09 107.32 101.51 1x57 s GLY 4 Ca 0.21 -1.01 0.00 0.00 0.00 0.00 0.00 44.72 43.91 1x57 s GLY 4 CO 0.15 -1.93 0.00 1.44 0.00 0.00 0.00 173.10 172.76 1x57 n SER 5 N -1.31 0.01 -3.81 1.64 7.64 -1.26 -5.15 113.62 111.39 1x57 n SER 5 Ca -0.09 0.05 -0.09 0.00 1.01 0.00 0.00 58.87 59.75 1x57 n SER 5 Cb 0.65 0.03 -0.07 0.00 -1.01 0.00 0.00 64.21 63.82 1x57 n SER 5 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1x57 s SER 6 N -5.03 0.04 0.00 6.43 1.04 -1.26 -5.01 113.70 109.92 1x57 s SER 6 Ca 0.00 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.85 1x57 s SER 6 Cb 0.00 0.37 0.00 0.00 0.10 0.00 0.00 66.02 66.49 1x57 s SER 6 CO 0.00 -0.76 0.00 0.61 0.98 0.00 0.00 173.24 174.07 1x57 n GLY 7 N -0.09 -0.17 0.00 7.32 0.00 -1.26 -5.13 105.19 105.86 1x57 n GLY 7 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 1x57 n GLY 7 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1x57 n ASP 8 N 0.00 -1.23 -3.69 1.61 9.92 -1.26 -4.84 116.55 117.06 1x57 n ASP 8 Ca 0.00 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.19 1x57 n ASP 8 Cb 0.00 0.93 -0.01 0.00 -0.64 0.00 0.00 41.12 41.40 1x57 n ASP 8 CO 0.00 0.00 0.00 -0.13 0.13 0.00 0.00 177.20 177.20 1x57 s ARG 9 N -5.33 1.83 2.80 -1.24 0.52 -1.26 -4.52 118.95 111.74 1x57 s ARG 9 Ca 0.00 -1.05 0.00 0.00 -0.52 0.00 0.00 55.73 54.16 1x57 s ARG 9 Cb 0.00 0.60 0.00 0.00 0.52 0.00 0.00 34.95 36.07 1x57 s ARG 9 CO 0.00 -0.84 0.00 1.55 0.02 0.00 0.00 175.30 176.03 1x57 n VAL 10 N -0.47 0.00 -3.14 3.52 3.14 -1.26 -4.98 118.33 115.13 1x57 n VAL 10 Ca -0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 1x57 n VAL 10 Cb 0.59 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.37 1x57 n VAL 10 CO 0.00 0.00 0.00 0.35 -6.46 0.00 0.00 176.83 170.72 1x57 n THR 11 N 0.00 0.00 -0.42 1.55 -2.24 -1.26 -4.91 114.28 107.01 1x57 n THR 11 Ca 0.00 0.00 0.04 0.00 -2.27 0.00 0.00 64.05 61.82 1x57 n THR 11 Cb 0.00 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.21 1x57 n THR 11 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1x57 n LEU 12 N 0.00 -0.33 -0.07 3.22 4.32 -1.26 -4.43 117.00 118.45 1x57 n LEU 12 Ca 0.00 0.71 -0.07 0.00 -0.02 0.00 0.00 56.01 56.64 1x57 n LEU 12 Cb 0.00 -0.72 -0.02 0.00 -1.62 0.00 0.00 43.42 41.06 1x57 n LEU 12 CO 0.00 -0.53 -0.50 -0.62 -1.22 0.00 0.00 177.39 174.53 1x57 n GLU 13 N -2.49 0.41 0.15 3.23 1.02 -1.26 -4.20 120.64 117.50 1x57 n GLU 13 Ca -0.02 0.22 -0.14 0.00 -0.02 0.00 0.00 57.16 57.20 1x57 n GLU 13 Cb 0.18 -1.29 -0.07 0.00 -0.02 0.00 0.00 31.44 30.24 1x57 n GLU 13 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1x57 h VAL 14 N -0.80 0.23 -0.83 2.62 2.07 -1.93 0.18 116.25 117.78 1x57 h VAL 14 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 1x57 h VAL 14 Cb 0.73 0.23 -0.08 0.00 -1.52 0.00 0.00 31.29 30.66 1x57 h VAL 14 CO 0.00 0.00 0.47 1.23 0.02 0.00 0.00 177.57 179.29 1x57 h GLY 15 N -0.66 1.30 0.90 2.17 0.00 -1.81 0.01 103.07 104.98 1x57 h GLY 15 Ca 0.01 -0.31 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1x57 h GLY 15 CO -0.17 0.10 0.06 1.70 0.00 0.00 0.00 176.54 178.24 1x57 h LYS 16 N 0.77 0.18 -0.63 4.80 1.63 -1.49 -0.43 116.57 121.40 1x57 h LYS 16 Ca 0.41 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.17 1x57 h LYS 16 Cb 0.41 -0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 31.98 1x57 h LYS 16 CO -0.26 0.25 0.36 0.28 -3.45 0.00 0.00 179.45 176.62 1x57 h VAL 17 N 0.08 1.20 0.27 2.00 2.07 -0.19 0.12 116.25 121.80 1x57 h VAL 17 Ca 0.04 -0.49 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 1x57 h VAL 17 Cb 0.13 0.37 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1x57 h VAL 17 CO -0.01 0.21 -0.15 0.40 0.02 0.00 0.00 177.57 178.05 1x57 h ILE 18 N 0.86 0.68 -0.25 4.57 2.04 -0.87 0.60 117.51 125.16 1x57 h ILE 18 Ca 0.22 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.14 1x57 h ILE 18 Cb 0.03 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 36.74 1x57 h ILE 18 CO -0.04 0.00 -0.07 -0.61 0.00 0.00 0.00 178.15 177.43 1x57 h GLN 19 N -0.40 -0.02 0.53 2.37 4.15 -0.76 0.25 115.11 121.24 1x57 h GLN 19 Ca -0.03 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 1x57 h GLN 19 Cb 0.32 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 1x57 h GLN 19 CO 0.04 -0.01 -0.31 1.96 -1.93 0.00 0.00 178.83 178.58 1x57 h GLN 20 N -0.02 -0.77 0.00 1.69 1.08 -0.82 -1.65 115.11 114.62 1x57 h GLN 20 Ca 0.12 0.05 -0.05 0.00 -1.45 0.00 0.00 58.65 57.33 1x57 h GLN 20 Cb 0.20 0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.80 1x57 h GLN 20 CO -0.26 -0.51 -0.23 0.78 -0.95 0.00 0.00 178.83 177.65 1x57 h GLY 21 N -0.80 0.00 0.56 3.46 0.00 -0.71 0.71 103.07 106.29 1x57 h GLY 21 Ca -0.06 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 1x57 h GLY 21 CO 0.07 0.00 -0.27 3.21 0.00 0.00 0.00 176.54 179.55 1x57 h ARG 22 N 0.00 -0.72 -0.85 4.80 3.08 -0.93 -3.31 114.38 116.45 1x57 h ARG 22 Ca -0.00 0.05 0.08 0.00 0.07 0.00 0.00 59.98 60.18 1x57 h ARG 22 Cb 0.90 0.16 -0.06 0.00 0.08 0.00 0.00 29.97 31.06 1x57 h ARG 22 CO 0.03 -0.48 0.56 -0.56 -1.07 0.00 0.00 179.97 178.44 1x57 h GLN 23 N -0.77 0.86 0.00 0.04 -0.00 -0.89 -0.49 115.11 113.86 1x57 h GLN 23 Ca -0.08 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.52 1x57 h GLN 23 Cb 0.57 -0.19 0.00 0.00 -0.00 0.00 0.00 27.48 27.86 1x57 h GLN 23 CO 0.13 0.57 0.00 0.45 -0.00 0.00 0.00 178.83 179.97 1x57 n SER 24 N -4.51 0.51 0.00 0.06 2.88 0.21 -2.01 113.62 110.76 1x57 n SER 24 Ca 0.14 0.67 0.00 0.00 -1.33 0.00 0.00 58.87 58.34 1x57 n SER 24 Cb 0.26 -0.76 0.00 0.00 -0.75 0.00 0.00 64.21 62.96 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 -2.11 1.54 -0.88 -1.46 5.02 -0.31 -5.00 118.16 114.96 1x57 n LYS 25 Ca 0.01 -1.02 0.00 0.00 -2.02 0.00 0.00 58.31 55.28 1x57 n LYS 25 Cb 0.14 -0.83 0.00 0.00 -0.02 0.00 0.00 35.03 34.32 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 -0.27 0.37 3.66 0.72 0.00 -0.67 -4.95 105.19 104.05 1x57 n GLY 26 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 4.25 1.20 0.99 1.43 -0.51 -4.93 118.68 121.11 1x57 s LEU 27 Ca 0.00 1.96 -0.17 0.00 -1.03 0.00 0.00 54.13 54.89 1x57 s LEU 27 Cb 0.00 -3.54 0.28 0.00 0.03 0.00 0.00 46.19 42.97 1x57 s LEU 27 CO 0.00 -0.83 1.05 0.42 0.23 0.00 0.00 176.35 177.22 1x57 s THR 28 N 3.65 1.70 0.15 5.49 -4.23 -1.26 -4.43 115.64 116.71 1x57 s THR 28 Ca 0.63 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 61.03 1x57 s THR 28 Cb -0.27 -2.30 0.02 0.00 1.34 0.00 0.00 72.50 71.28 1x57 s THR 28 CO 0.22 0.00 1.59 1.56 -0.54 0.00 0.00 174.62 177.44 1x57 h GLN 29 N -2.64 0.92 0.00 3.99 4.20 -1.96 -2.13 115.11 117.48 1x57 h GLN 29 Ca -0.51 -0.32 -0.03 0.00 0.06 0.00 0.00 58.65 57.85 1x57 h GLN 29 Cb 1.32 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 29.03 1x57 h GLN 29 CO 0.42 0.97 -0.12 -0.22 -0.67 0.00 0.00 178.83 179.21 1x57 h LYS 30 N 0.78 0.00 -0.11 1.46 3.64 -1.93 0.05 116.57 120.47 1x57 h LYS 30 Ca 0.13 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.42 1x57 h LYS 30 Cb 0.60 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.42 1x57 h LYS 30 CO 0.04 0.12 -0.29 -0.44 -2.27 0.00 0.00 179.45 176.61 1x57 h ASP 31 N 0.00 0.45 -0.31 4.20 3.32 -1.84 -1.49 116.42 120.75 1x57 h ASP 31 Ca -0.00 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.46 1x57 h ASP 31 Cb 0.33 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 1x57 h ASP 31 CO 0.02 0.96 0.21 0.25 -1.72 0.00 0.00 179.24 178.95 1x57 h LEU 32 N -0.03 0.36 -0.31 1.55 7.12 -0.72 0.52 115.31 123.81 1x57 h LEU 32 Ca -0.00 -0.02 0.06 0.00 0.13 0.00 0.00 57.88 58.05 1x57 h LEU 32 Cb 0.90 -0.09 -0.06 0.00 -0.53 0.00 0.00 40.66 40.88 1x57 h LEU 32 CO 0.06 0.27 -0.10 0.00 -0.13 0.00 0.00 178.44 178.55 1x57 h ALA 33 N 1.11 0.17 -0.22 1.25 0.00 -1.05 -1.80 119.26 118.72 1x57 h ALA 33 Ca 0.11 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1x57 h ALA 33 Cb -0.04 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.99 1x57 h ALA 33 CO -0.02 -0.49 -0.02 1.15 0.00 0.00 0.00 179.25 179.87 1x57 h THR 34 N -0.03 0.82 0.00 0.00 2.02 -0.89 0.20 112.91 115.02 1x57 h THR 34 Ca 0.15 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.32 1x57 h THR 34 Cb 0.27 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1x57 h THR 34 CO -0.34 0.01 0.00 0.11 0.37 0.00 0.00 175.52 175.67 1x57 h LYS 35 N 0.04 0.00 0.00 6.66 1.57 -0.08 -1.94 116.57 122.83 1x57 h LYS 35 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 1x57 h LYS 35 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 1x57 h LYS 35 CO -0.20 0.00 0.00 0.44 -0.57 0.00 0.00 179.45 179.12 1x57 n ILE 36 N -2.47 0.62 -2.53 1.86 -5.35 -0.87 -4.79 119.36 105.83 1x57 n ILE 36 Ca -0.02 -0.64 -0.17 0.00 -0.27 0.00 0.00 62.75 61.66 1x57 n ILE 36 Cb 0.05 0.71 -0.00 0.00 -1.74 0.00 0.00 39.64 38.65 1x57 n ILE 36 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 1x57 n ASN 37 N -0.31 -4.73 -5.00 7.28 4.13 0.55 -4.98 115.26 112.20 1x57 n ASN 37 Ca 0.00 0.05 -0.21 0.00 1.68 0.00 0.00 54.58 56.10 1x57 n ASN 37 Cb 0.32 -3.96 0.05 0.00 -1.54 0.00 0.00 39.78 34.65 1x57 n ASN 37 CO 0.00 0.00 0.00 -1.61 0.28 0.00 0.00 177.26 175.93 1x57 s GLU 38 N -5.14 2.28 0.20 3.52 0.41 -0.39 -4.99 118.70 114.58 1x57 s GLU 38 Ca 0.05 -1.75 -0.30 0.00 -0.41 0.00 0.00 54.97 52.56 1x57 s GLU 38 Cb -0.02 -2.51 -0.08 0.00 -1.78 0.00 0.00 34.13 29.74 1x57 s GLU 38 CO 0.06 -0.82 1.03 0.15 -0.49 0.00 0.00 175.26 175.19 1x57 s LYS 39 N -4.58 4.69 0.53 1.61 1.02 -1.26 -4.58 119.74 117.16 1x57 s LYS 39 Ca 0.55 1.62 0.30 0.00 0.02 0.00 0.00 55.97 58.46 1x57 s LYS 39 Cb -0.05 -3.28 1.38 0.00 -0.52 0.00 0.00 37.83 35.36 1x57 s LYS 39 CO 0.35 0.24 2.01 -1.00 -0.92 0.00 0.00 175.35 176.02 1x57 h PRO 40 N 4.75 0.00 -0.62 -1.68 0.13 -1.92 -2.55 132.00 130.12 1x57 h PRO 40 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1x57 h PRO 40 Cb 1.21 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.31 1x57 h PRO 40 CO 0.70 0.10 0.34 0.37 -0.23 0.00 0.00 178.00 179.28 1x57 h GLN 41 N 0.00 0.86 0.00 0.86 5.75 -1.96 -2.48 115.11 118.15 1x57 h GLN 41 Ca -0.00 -0.10 -0.12 0.00 -0.15 0.00 0.00 58.65 58.28 1x57 h GLN 41 Cb 0.47 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.84 1x57 h GLN 41 CO 0.01 0.66 -0.57 -0.39 -2.65 0.00 0.00 178.83 175.90 1x57 h VAL 42 N 0.84 1.22 -0.32 2.39 -1.51 -1.86 -2.49 116.25 114.52 1x57 h VAL 42 Ca 0.22 -2.07 0.04 0.00 -1.23 0.00 0.00 66.70 63.66 1x57 h VAL 42 Cb 0.05 2.17 -0.04 0.00 -2.13 0.00 0.00 31.29 31.34 1x57 h VAL 42 CO -0.03 0.55 0.08 0.40 -1.23 0.00 0.00 177.57 177.34 1x57 h ILE 43 N 0.00 0.87 -0.67 7.19 1.08 -1.43 0.22 117.51 124.77 1x57 h ILE 43 Ca -0.01 -0.07 0.07 0.00 -0.39 0.00 0.00 64.86 64.46 1x57 h ILE 43 Cb 1.13 0.65 -0.04 0.00 -3.07 0.00 0.00 36.82 35.49 1x57 h ILE 43 CO 0.07 0.04 0.44 0.00 -0.69 0.00 0.00 178.15 178.01 1x57 h ALA 44 N 1.22 1.77 0.00 1.87 0.00 -1.01 -2.13 119.26 120.98 1x57 h ALA 44 Ca 0.15 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1x57 h ALA 44 Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1x57 h ALA 44 CO -0.18 0.12 -0.61 -0.44 0.00 0.00 0.00 179.25 178.15 1x57 h ASP 45 N 0.66 0.00 -0.47 0.00 5.19 -1.06 -2.77 116.42 117.98 1x57 h ASP 45 Ca 0.29 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 56.67 1x57 h ASP 45 Cb 0.29 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.78 1x57 h ASP 45 CO -0.09 0.32 0.21 1.88 -3.12 0.00 0.00 179.24 178.43 1x57 h TYR 46 N 0.00 0.73 -0.23 4.55 -1.99 -0.31 0.14 116.97 119.86 1x57 h TYR 46 Ca -0.03 -0.03 -0.15 0.00 2.00 0.00 0.00 58.73 60.51 1x57 h TYR 46 Cb 1.27 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 39.76 1x57 h TYR 46 CO 0.00 0.57 -0.48 0.93 -0.00 0.00 0.00 178.16 179.17 1x57 h GLU 47 N 0.73 0.61 -0.13 4.88 5.08 -1.28 -2.98 114.58 121.49 1x57 h GLU 47 Ca 0.18 -0.35 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 1x57 h GLU 47 Cb 0.14 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1x57 h GLU 47 CO -0.02 0.96 -0.27 0.77 -1.00 0.00 0.00 179.01 179.45 1x57 h SER 48 N 0.49 0.24 0.00 1.42 0.02 -1.23 -3.42 113.55 111.07 1x57 h SER 48 Ca 0.02 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1x57 h SER 48 Cb 1.02 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.49 1x57 h SER 48 CO 0.10 0.52 0.00 0.61 -1.14 0.00 0.00 176.83 176.91 1x57 n GLY 49 N -0.51 0.84 0.08 -3.77 0.00 -0.08 -4.22 105.19 97.52 1x57 n GLY 49 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.96 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 3.93 -0.07 -7.06 1.61 2.47 -1.09 -3.47 114.38 110.71 1x57 h ARG 50 Ca 0.00 0.00 -0.55 0.00 -1.26 0.00 0.00 59.98 58.17 1x57 h ARG 50 Cb 0.00 0.02 0.14 0.00 -1.65 0.00 0.00 29.97 28.48 1x57 h ARG 50 CO 0.00 0.22 0.60 0.00 0.56 0.00 0.00 179.97 181.35 1x57 s ALA 51 N -2.72 2.76 -0.04 0.04 0.00 -1.11 -4.90 121.76 115.78 1x57 s ALA 51 Ca -0.06 1.33 -0.30 0.00 0.00 0.00 0.00 51.96 52.93 1x57 s ALA 51 Cb -0.01 -3.57 -0.05 0.00 0.00 0.00 0.00 23.12 19.49 1x57 s ALA 51 CO 0.23 -1.43 1.53 0.42 0.00 0.00 0.00 175.76 176.51 1x57 s ILE 52 N -1.31 3.65 -0.30 0.00 -1.09 -1.26 -4.75 121.20 116.14 1x57 s ILE 52 Ca 0.73 0.90 -0.29 0.00 -2.23 0.00 0.00 60.65 59.76 1x57 s ILE 52 Cb -0.40 -3.58 -0.01 0.00 -1.58 0.00 0.00 42.46 36.89 1x57 s ILE 52 CO 0.47 -0.05 1.48 -2.16 -1.23 0.00 0.00 174.94 173.45 1x57 s PRO 53 N 3.34 3.74 -0.02 2.79 0.04 -1.26 -4.98 135.00 138.64 1x57 s PRO 53 Ca 0.68 1.32 0.05 0.00 0.04 0.00 0.00 61.00 63.10 1x57 s PRO 53 Cb -0.32 -3.99 -0.01 0.00 0.04 0.00 0.00 34.50 30.21 1x57 s PRO 53 CO 0.27 -1.35 -0.18 1.21 0.04 0.00 0.00 177.00 176.98 1x57 s ASN 54 N 3.84 2.21 0.21 6.66 2.47 -1.26 -4.99 114.94 124.08 1x57 s ASN 54 Ca 0.65 -0.35 -0.09 0.00 0.42 0.00 0.00 52.86 53.49 1x57 s ASN 54 Cb -0.19 -0.34 0.31 0.00 -1.45 0.00 0.00 41.25 39.58 1x57 s ASN 54 CO 0.28 0.21 1.72 0.78 -3.72 0.00 0.00 177.10 176.37 1x57 h ASN 55 N 5.82 0.08 -0.16 -4.21 2.35 -1.98 0.16 115.58 117.64 1x57 h ASN 55 Ca -0.36 0.10 0.04 0.00 -0.55 0.00 0.00 56.30 55.53 1x57 h ASN 55 Cb 1.15 0.12 -0.04 0.00 0.05 0.00 0.00 38.32 39.60 1x57 h ASN 55 CO 0.48 0.05 -0.10 -0.61 -1.65 0.00 0.00 177.43 175.60 1x57 h GLN 56 N 0.31 -0.09 -0.02 0.81 4.15 -2.00 -1.56 115.11 116.71 1x57 h GLN 56 Ca 0.32 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.70 1x57 h GLN 56 Cb 0.47 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.18 1x57 h GLN 56 CO -0.38 -0.06 -0.19 0.28 -1.93 0.00 0.00 178.83 176.55 1x57 h VAL 57 N -0.09 1.51 -0.74 2.39 2.07 -1.70 -3.13 116.25 116.56 1x57 h VAL 57 Ca 0.09 -1.77 0.15 0.00 0.82 0.00 0.00 66.70 66.00 1x57 h VAL 57 Cb 0.23 2.60 -0.14 0.00 -1.52 0.00 0.00 31.29 32.46 1x57 h VAL 57 CO -0.22 0.48 -0.16 -0.07 0.02 0.00 0.00 177.57 177.63 1x57 h LEU 58 N -0.46 -0.64 -0.67 2.57 3.38 -0.69 0.83 115.31 119.63 1x57 h LEU 58 Ca -0.02 0.22 0.09 0.00 0.09 0.00 0.00 57.88 58.26 1x57 h LEU 58 Cb 0.89 0.44 -0.07 0.00 0.09 0.00 0.00 40.66 42.01 1x57 h LEU 58 CO 0.04 -0.24 0.32 1.23 0.09 0.00 0.00 178.44 179.88 1x57 h GLY 59 N 0.01 0.99 1.27 0.83 0.00 -1.31 0.02 103.07 104.89 1x57 h GLY 59 Ca 0.37 -0.20 -0.13 0.00 0.00 0.00 0.00 47.33 47.36 1x57 h GLY 59 CO -0.75 0.05 -0.30 0.50 0.00 0.00 0.00 176.54 176.04 1x57 h LYS 60 N 0.56 0.82 -0.83 4.80 1.57 -0.87 -2.03 116.57 120.58 1x57 h LYS 60 Ca 0.33 -0.37 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 1x57 h LYS 60 Cb 0.35 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 1x57 h LYS 60 CO -0.27 1.01 0.40 0.82 -0.57 0.00 0.00 179.45 180.84 1x57 h ILE 61 N 0.69 1.26 -0.13 1.86 2.04 -0.37 0.11 117.51 122.97 1x57 h ILE 61 Ca 0.08 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.22 1x57 h ILE 61 Cb 0.84 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 37.10 1x57 h ILE 61 CO 0.07 0.31 0.06 -0.33 0.00 0.00 0.00 178.15 178.26 1x57 h GLU 62 N 1.19 0.13 0.00 2.37 5.08 -0.57 -0.84 114.58 121.93 1x57 h GLU 62 Ca 0.29 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1x57 h GLU 62 Cb 0.12 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1x57 h GLU 62 CO -0.04 0.09 0.00 0.00 -1.00 0.00 0.00 179.01 178.06 1x57 h ARG 63 N 0.13 0.00 0.17 2.33 3.08 -1.03 0.32 114.38 119.37 1x57 h ARG 63 Ca 0.05 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1x57 h ARG 63 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1x57 h ARG 63 CO -0.04 0.00 -0.08 0.00 -1.07 0.00 0.00 179.97 178.78 1x57 h ALA 64 N 2.03 -0.23 0.00 0.04 0.00 0.64 -3.37 119.26 118.37 1x57 h ALA 64 Ca 0.00 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.58 1x57 h ALA 64 Cb 0.19 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1x57 h ALA 64 CO 0.00 -0.27 -1.44 0.44 0.00 0.00 0.00 179.25 177.98 1x57 n ILE 65 N -4.91 0.96 -2.09 0.00 -5.35 -0.84 -4.99 119.36 102.13 1x57 n ILE 65 Ca -0.07 -0.65 0.00 0.00 -0.27 0.00 0.00 62.75 61.76 1x57 n ILE 65 Cb 0.24 -0.56 0.00 0.00 -1.74 0.00 0.00 39.64 37.58 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 1.36 0.55 3.21 3.28 0.00 0.11 -4.99 105.19 108.70 1x57 n GLY 66 Ca -0.09 -0.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.26 2.17 0.37 0.99 1.43 -1.16 -2.20 118.68 120.03 1x57 s LEU 67 Ca 0.00 -1.14 -0.25 0.00 -1.03 0.00 0.00 54.13 51.71 1x57 s LEU 67 Cb 0.00 -0.02 -0.09 0.00 0.03 0.00 0.00 46.19 46.11 1x57 s LEU 67 CO 0.00 -0.56 1.06 -0.54 0.23 0.00 0.00 176.35 176.54 1x57 s LYS 68 N -3.91 4.28 -0.10 1.70 1.02 0.99 -4.31 119.74 119.41 1x57 s LYS 68 Ca 0.21 1.59 0.13 0.00 0.02 0.00 0.00 55.97 57.92 1x57 s LYS 68 Cb 0.06 -2.71 0.24 0.00 -0.52 0.00 0.00 37.83 34.90 1x57 s LYS 68 CO 0.01 -0.06 1.14 1.28 -0.92 0.00 0.00 175.35 176.81 1x57 n LEU 69 N 0.24 2.44 -4.21 3.17 7.99 -1.26 -0.93 117.00 124.44 1x57 n LEU 69 Ca 0.03 -2.75 -0.12 0.00 -0.01 0.00 0.00 56.01 53.16 1x57 n LEU 69 Cb 0.48 -0.32 -0.10 0.00 -0.11 0.00 0.00 43.42 43.37 1x57 n LEU 69 CO 0.47 0.65 -0.33 -0.13 -1.51 0.00 0.00 177.39 176.54 1x57 s ARG 70 N -2.30 1.03 0.26 3.23 1.81 -1.26 -4.98 118.95 116.74 1x57 s ARG 70 Ca 0.24 -1.49 0.00 0.00 -1.72 0.00 0.00 55.73 52.77 1x57 s ARG 70 Cb 0.21 -0.16 0.00 0.00 -0.45 0.00 0.00 34.95 34.54 1x57 s ARG 70 CO 0.03 -0.14 0.00 0.41 -0.68 0.00 0.00 175.30 174.93 1x57 n GLY 71 N -0.18 -1.91 0.00 -3.53 0.00 -1.26 -3.03 105.19 95.29 1x57 n GLY 71 Ca -0.07 -1.26 0.09 0.00 0.00 0.00 0.00 46.02 44.78 1x57 n GLY 71 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x57 n LYS 72 N -3.36 0.01 0.00 1.61 3.00 -1.26 -2.82 118.16 115.34 1x57 n LYS 72 Ca -0.00 0.18 0.00 0.00 -0.00 0.00 0.00 58.31 58.49 1x57 n LYS 72 Cb 0.45 -1.51 0.00 0.00 0.00 0.00 0.00 35.03 33.97 1x57 n LYS 72 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1x57 n ASP 73 N -1.53 0.19 -4.66 3.14 8.00 -1.26 -4.95 116.55 115.48 1x57 n ASP 73 Ca 0.04 -1.89 -0.43 0.00 0.71 0.00 0.00 54.79 53.22 1x57 n ASP 73 Cb 0.22 -0.09 -0.01 0.00 -0.02 0.00 0.00 41.12 41.22 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 -0.40 2.00 0.00 0.53 3.06 -1.13 -1.15 119.36 122.28 1x57 n ILE 74 Ca 0.00 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.75 1x57 n ILE 74 Cb 0.05 -1.36 0.00 0.00 0.54 0.00 0.00 39.64 38.86 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 0.93 2.97 3.76 4.50 0.00 -0.11 -4.94 105.19 112.30 1x57 n GLY 75 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 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 -0.01 2.86 0.90 1.61 -0.14 -0.30 -4.68 119.74 119.98 1x57 s LYS 76 Ca 0.00 1.69 -0.11 0.00 -1.36 0.00 0.00 55.97 56.18 1x57 s LYS 76 Cb 0.00 -1.93 0.11 0.00 -1.68 0.00 0.00 37.83 34.32 1x57 s LYS 76 CO 0.00 -1.26 0.98 -2.30 -0.76 0.00 0.00 175.35 172.01 1x57 n PRO 77 N -1.90 -0.27 -4.00 -1.68 -0.02 -1.26 -0.01 135.00 125.85 1x57 n PRO 77 Ca 0.13 -0.01 -0.35 0.00 -2.02 0.00 0.00 63.50 61.24 1x57 n PRO 77 Cb 0.50 -2.26 -0.07 0.00 -0.02 0.00 0.00 33.50 31.66 1x57 n PRO 77 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1x57 s ILE 78 N -2.46 5.17 -0.64 4.25 -4.36 -0.93 -4.47 121.20 117.76 1x57 s ILE 78 Ca 0.66 -0.03 -0.08 0.00 -0.26 0.00 0.00 60.65 60.94 1x57 s ILE 78 Cb -0.24 -3.29 0.01 0.00 1.25 0.00 0.00 42.46 40.19 1x57 s ILE 78 CO 0.59 0.52 0.53 -0.62 0.24 0.00 0.00 174.94 176.20 1x57 n GLU 79 N 1.69 -1.42 -0.26 0.37 1.02 -1.26 -4.87 120.64 115.91 1x57 n GLU 79 Ca -0.17 0.78 0.01 0.00 -0.02 0.00 0.00 57.16 57.75 1x57 n GLU 79 Cb 0.54 -1.86 0.13 0.00 -0.02 0.00 0.00 31.44 30.23 1x57 n GLU 79 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1x57 h LYS 80 N 0.34 0.72 0.00 3.49 1.57 -1.98 -3.45 116.57 117.27 1x57 h LYS 80 Ca -0.55 -0.04 -0.41 0.00 -1.87 0.00 0.00 60.65 57.78 1x57 h LYS 80 Cb 1.22 -0.16 -0.09 0.00 0.08 0.00 0.00 32.23 33.27 1x57 h LYS 80 CO 0.29 0.48 -0.35 0.41 -0.57 0.00 0.00 179.45 179.71 1x57 n GLY 81 N -1.31 3.41 3.55 3.86 0.00 -1.26 -5.09 105.19 108.36 1x57 n GLY 81 Ca 0.11 -2.03 -0.39 0.00 0.00 0.00 0.00 46.02 43.70 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 -3.16 2.83 -0.40 1.61 0.04 -1.26 -4.86 135.00 129.80 1x57 s PRO 82 Ca 0.18 0.25 0.06 0.00 0.04 0.00 0.00 61.00 61.52 1x57 s PRO 82 Cb 0.01 -4.37 0.21 0.00 0.04 0.00 0.00 34.50 30.39 1x57 s PRO 82 CO 0.13 -2.55 0.43 0.54 0.04 0.00 0.00 177.00 175.58 1x57 n ARG 83 N 9.24 0.42 -3.53 4.56 5.12 -1.26 -5.12 116.66 126.08 1x57 n ARG 83 Ca 0.16 -3.17 -0.24 0.00 -1.93 0.00 0.00 57.85 52.67 1x57 n ARG 83 Cb 0.51 -1.46 0.02 0.00 -1.16 0.00 0.00 32.46 30.37 1x57 n ARG 83 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x57 n ALA 84 N 2.20 0.99 -0.02 7.54 0.00 -1.26 -5.08 120.51 124.88 1x57 n ALA 84 Ca 0.26 -2.18 -0.03 0.00 0.00 0.00 0.00 53.44 51.49 1x57 n ALA 84 Cb 0.50 0.79 -0.02 0.00 0.00 0.00 0.00 19.45 20.73 1x57 n ALA 84 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1x57 n LYS 85 N -1.96 0.09 -3.47 0.00 2.85 -1.26 -5.08 118.16 109.33 1x57 n LYS 85 Ca 0.05 0.03 -0.23 0.00 -1.05 0.00 0.00 58.31 57.10 1x57 n LYS 85 Cb 0.62 -0.93 0.06 0.00 -0.65 0.00 0.00 35.03 34.12 1x57 n LYS 85 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1x57 n SER 86 N -2.78 -5.74 -3.35 -5.58 7.64 -1.26 -4.98 113.62 97.57 1x57 n SER 86 Ca -0.07 -0.85 -0.26 0.00 1.01 0.00 0.00 58.87 58.70 1x57 n SER 86 Cb 0.56 -4.35 -0.08 0.00 -1.01 0.00 0.00 64.21 59.34 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 -1.44 4.52 3.72 0.23 0.00 -1.26 -5.11 105.19 105.84 1x57 n GLY 87 Ca -0.09 -2.56 -0.35 0.00 0.00 0.00 0.00 46.02 43.02 1x57 n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x57 s PRO 88 N -2.32 2.11 -0.44 1.61 0.04 -1.26 -4.97 135.00 129.77 1x57 s PRO 88 Ca 0.40 1.86 0.07 0.00 0.04 0.00 0.00 61.00 63.36 1x57 s PRO 88 Cb 0.16 -1.82 0.41 0.00 0.04 0.00 0.00 34.50 33.30 1x57 s PRO 88 CO -0.04 -1.88 1.06 -1.13 0.04 0.00 0.00 177.00 175.05 1x57 n SER 89 N -2.63 4.16 -4.60 6.66 3.41 -1.26 -5.05 113.62 114.31 1x57 n SER 89 Ca 0.14 -3.57 -0.43 0.00 -0.26 0.00 0.00 58.87 54.76 1x57 n SER 89 Cb 0.50 -0.49 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 1x57 n SER 89 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1x57 s SER 90 N -3.45 6.08 0.00 4.04 1.04 -1.26 -5.37 113.70 114.78 1x57 s SER 90 Ca 0.45 1.09 0.25 0.00 0.48 0.00 0.00 55.95 58.22 1x57 s SER 90 Cb 0.39 -2.53 0.30 0.00 0.10 0.00 0.00 66.02 64.28 1x57 s SER 90 CO -0.15 -1.59 1.32 0.61 0.98 0.00 0.00 173.24 174.41