#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 0.02 -3.69 1.61 7.64 -1.26 -5.11 113.62 112.83 1x57 n SER 2 Ca 0.00 0.10 -0.10 0.00 1.01 0.00 0.00 58.87 59.88 1x57 n SER 2 Cb 0.00 0.06 -0.10 0.00 -1.01 0.00 0.00 64.21 63.16 1x57 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1x57 s SER 3 N -5.05 -0.54 -1.02 6.43 0.01 -1.26 -5.09 113.70 107.18 1x57 s SER 3 Ca 0.00 0.95 -0.25 0.00 1.31 0.00 0.00 55.95 57.97 1x57 s SER 3 Cb 0.00 0.86 -0.12 0.00 0.21 0.00 0.00 66.02 66.97 1x57 s SER 3 CO 0.00 -0.20 2.07 -0.83 0.41 0.00 0.00 173.24 174.69 1x57 s GLY 4 N 1.50 -0.35 0.00 3.44 0.00 -1.26 -4.01 107.32 106.65 1x57 s GLY 4 Ca -0.09 -1.58 0.00 0.00 0.00 0.00 0.00 44.72 43.05 1x57 s GLY 4 CO -0.13 3.85 0.00 -1.26 0.00 0.00 0.00 173.10 175.56 1x57 n SER 5 N 16.45 0.00 -4.95 1.64 2.88 -1.26 -5.00 113.62 123.38 1x57 n SER 5 Ca 0.43 0.00 -0.24 0.00 -1.33 0.00 0.00 58.87 57.73 1x57 n SER 5 Cb 0.46 -0.19 0.03 0.00 -0.75 0.00 0.00 64.21 63.76 1x57 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1x57 s SER 6 N -2.94 5.56 0.00 -3.46 1.04 -1.26 -5.05 113.70 107.59 1x57 s SER 6 Ca 0.00 0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.77 1x57 s SER 6 Cb 0.00 -1.39 0.00 0.00 0.10 0.00 0.00 66.02 64.73 1x57 s SER 6 CO 0.00 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 173.86 1x57 n GLY 7 N -2.34 -1.81 2.95 7.32 0.00 -1.26 -4.71 105.19 105.33 1x57 n GLY 7 Ca 0.04 0.75 -0.07 0.00 0.00 0.00 0.00 46.02 46.74 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 0.00 0.02 0.11 1.61 2.15 -1.26 -5.15 116.67 114.15 1x57 s ASP 8 Ca 0.00 0.22 -0.25 0.00 0.43 0.00 0.00 52.55 52.95 1x57 s ASP 8 Cb 0.00 1.27 0.08 0.00 -0.30 0.00 0.00 42.92 43.97 1x57 s ASP 8 CO 0.00 -0.30 1.11 0.00 -0.17 0.00 0.00 175.17 175.80 1x57 s ARG 9 N 2.59 0.96 0.97 4.34 3.03 -1.26 -5.17 118.95 124.41 1x57 s ARG 9 Ca 0.13 -0.59 -0.13 0.00 2.03 0.00 0.00 55.73 57.17 1x57 s ARG 9 Cb -0.15 0.29 0.17 0.00 -1.03 0.00 0.00 34.95 34.23 1x57 s ARG 9 CO -0.19 -0.45 1.14 0.54 -1.13 0.00 0.00 175.30 175.21 1x57 s VAL 10 N -2.48 1.96 0.30 4.99 0.11 -1.26 -5.10 120.40 118.92 1x57 s VAL 10 Ca 0.19 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.31 1x57 s VAL 10 Cb -0.00 -2.68 -0.02 0.00 -1.53 0.00 0.00 36.38 32.14 1x57 s VAL 10 CO 0.02 0.00 0.35 0.42 -3.33 0.00 0.00 175.10 172.55 1x57 s THR 11 N -3.22 4.30 0.68 5.04 -4.23 -1.26 -5.11 115.64 111.84 1x57 s THR 11 Ca 0.66 -1.17 -0.14 0.00 -1.18 0.00 0.00 61.69 59.85 1x57 s THR 11 Cb -0.14 -3.46 0.01 0.00 1.34 0.00 0.00 72.50 70.24 1x57 s THR 11 CO 0.55 -0.24 1.11 -0.76 -0.54 0.00 0.00 174.62 174.74 1x57 s LEU 12 N -4.02 3.34 0.23 4.79 1.02 -1.26 -4.82 118.68 117.96 1x57 s LEU 12 Ca 0.39 1.99 -0.07 0.00 0.02 0.00 0.00 54.13 56.46 1x57 s LEU 12 Cb -0.08 -4.55 0.20 0.00 0.02 0.00 0.00 46.19 41.78 1x57 s LEU 12 CO 0.28 -1.72 1.85 -0.33 0.02 0.00 0.00 176.35 176.45 1x57 h GLU 13 N -0.14 1.24 0.45 1.70 5.08 -1.97 0.11 114.58 121.05 1x57 h GLU 13 Ca -0.46 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 57.74 1x57 h GLU 13 Cb 1.25 -0.24 -0.02 0.00 0.50 0.00 0.00 28.75 30.23 1x57 h GLU 13 CO 0.53 0.91 -0.44 0.28 -1.00 0.00 0.00 179.01 179.30 1x57 h VAL 14 N 1.25 0.13 -1.01 3.13 2.07 -1.92 -0.20 116.25 119.69 1x57 h VAL 14 Ca 0.31 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.86 1x57 h VAL 14 Cb 0.03 0.13 -0.05 0.00 -1.52 0.00 0.00 31.29 29.87 1x57 h VAL 14 CO -0.05 0.00 0.66 1.23 0.02 0.00 0.00 177.57 179.43 1x57 h GLY 15 N -0.90 1.45 0.99 2.17 0.00 -1.44 0.73 103.07 106.06 1x57 h GLY 15 Ca -0.05 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.75 1x57 h GLY 15 CO -0.05 0.47 -0.21 1.70 0.00 0.00 0.00 176.54 178.45 1x57 h LYS 16 N 1.32 -0.58 -0.66 4.80 1.63 -0.85 -0.65 116.57 121.58 1x57 h LYS 16 Ca 0.39 0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 60.18 1x57 h LYS 16 Cb -0.08 0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 31.65 1x57 h LYS 16 CO -0.10 -0.37 0.23 0.28 -3.45 0.00 0.00 179.45 176.04 1x57 h VAL 17 N -0.61 1.24 0.42 2.00 2.07 -0.71 -1.52 116.25 119.13 1x57 h VAL 17 Ca -0.06 -0.78 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1x57 h VAL 17 Cb 0.47 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 1x57 h VAL 17 CO 0.10 0.31 -0.35 0.40 0.02 0.00 0.00 177.57 178.05 1x57 h ILE 18 N 0.97 0.28 -0.03 4.57 2.04 -0.72 0.76 117.51 125.37 1x57 h ILE 18 Ca 0.22 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.12 1x57 h ILE 18 Cb 0.23 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.54 1x57 h ILE 18 CO -0.01 0.00 -0.32 -0.61 0.00 0.00 0.00 178.15 177.20 1x57 h GLN 19 N -0.77 -0.44 -0.70 2.37 4.15 -0.81 0.06 115.11 118.97 1x57 h GLN 19 Ca -0.04 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.39 1x57 h GLN 19 Cb 0.67 0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.43 1x57 h GLN 19 CO -0.02 -0.29 0.35 0.37 -1.93 0.00 0.00 178.83 177.30 1x57 h GLN 20 N -0.46 1.00 -0.14 1.69 4.15 -1.18 -1.30 115.11 118.87 1x57 h GLN 20 Ca 0.07 -0.14 -0.19 0.00 0.77 0.00 0.00 58.65 59.16 1x57 h GLN 20 Cb 0.56 -0.18 0.01 0.00 0.21 0.00 0.00 27.48 28.07 1x57 h GLN 20 CO -0.29 0.78 -0.65 0.78 -1.93 0.00 0.00 178.83 177.53 1x57 h GLY 21 N 0.97 0.75 0.26 2.39 0.00 -0.54 -0.79 103.07 106.11 1x57 h GLY 21 Ca 0.24 -1.05 0.00 0.00 0.00 0.00 0.00 47.33 46.53 1x57 h GLY 21 CO -0.03 0.93 -0.52 3.21 0.00 0.00 0.00 176.54 180.13 1x57 h ARG 22 N 0.36 -0.82 -0.10 4.80 3.08 -0.90 -2.90 114.38 117.90 1x57 h ARG 22 Ca -0.04 0.06 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1x57 h ARG 22 Cb 1.28 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.51 1x57 h ARG 22 CO 0.13 -0.54 -0.13 -0.56 -1.07 0.00 0.00 179.97 177.80 1x57 h GLN 23 N -0.85 0.16 0.00 0.04 -0.00 -1.20 -0.11 115.11 113.16 1x57 h GLN 23 Ca -0.03 -0.03 -0.02 0.00 -0.00 0.00 0.00 58.65 58.57 1x57 h GLN 23 Cb 0.80 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.48 28.25 1x57 h GLN 23 CO -0.21 0.29 -0.11 1.03 -0.00 0.00 0.00 178.83 179.84 1x57 h SER 24 N 0.15 0.00 -0.24 0.06 0.87 -0.98 -2.42 113.55 110.99 1x57 h SER 24 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1x57 h SER 24 Cb 0.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.28 1x57 h SER 24 CO 0.02 0.11 0.00 0.29 -0.53 0.00 0.00 176.83 176.71 1x57 n LYS 25 N -3.69 2.80 -1.18 2.24 5.02 -0.30 -4.98 118.16 118.07 1x57 n LYS 25 Ca -0.02 -2.19 -0.06 0.00 -2.02 0.00 0.00 58.31 54.02 1x57 n LYS 25 Cb 0.22 -1.38 -0.03 0.00 -0.02 0.00 0.00 35.03 33.82 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 -0.03 0.66 3.65 0.72 0.00 -0.57 -4.93 105.19 104.68 1x57 n GLY 26 Ca 0.12 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.44 4.13 1.21 0.99 1.43 -0.21 -4.95 118.68 119.84 1x57 s LEU 27 Ca 0.00 1.67 -0.17 0.00 -1.03 0.00 0.00 54.13 54.60 1x57 s LEU 27 Cb 0.00 -3.54 0.29 0.00 0.03 0.00 0.00 46.19 42.97 1x57 s LEU 27 CO 0.00 -0.86 1.04 0.42 0.23 0.00 0.00 176.35 177.18 1x57 s THR 28 N 3.81 1.69 0.21 5.49 -4.23 -1.26 -4.45 115.64 116.90 1x57 s THR 28 Ca 0.58 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.05 1x57 s THR 28 Cb -0.22 -2.29 0.01 0.00 1.34 0.00 0.00 72.50 71.34 1x57 s THR 28 CO 0.19 0.00 1.60 1.56 -0.54 0.00 0.00 174.62 177.43 1x57 h GLN 29 N -2.67 0.71 -0.37 3.99 4.20 -1.95 -1.84 115.11 117.18 1x57 h GLN 29 Ca -0.51 -0.32 -0.06 0.00 0.06 0.00 0.00 58.65 57.81 1x57 h GLN 29 Cb 1.33 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 29.07 1x57 h GLN 29 CO 0.42 0.93 -0.04 0.87 -0.67 0.00 0.00 178.83 180.34 1x57 h LYS 30 N 0.60 0.60 0.14 1.46 1.57 -1.92 -0.41 116.57 118.61 1x57 h LYS 30 Ca 0.07 -0.15 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1x57 h LYS 30 Cb 0.82 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 1x57 h LYS 30 CO 0.07 0.65 -0.08 -0.44 -0.57 0.00 0.00 179.45 179.08 1x57 h ASP 31 N 0.57 -0.20 0.07 0.86 5.19 -1.82 -0.88 116.42 120.21 1x57 h ASP 31 Ca 0.11 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1x57 h ASP 31 Cb 0.42 0.06 0.00 0.00 0.18 0.00 0.00 39.33 39.99 1x57 h ASP 31 CO 0.02 -0.13 -0.04 0.25 -3.12 0.00 0.00 179.24 176.22 1x57 h LEU 32 N -0.21 -0.08 -0.40 1.55 7.12 -1.14 -0.24 115.31 121.91 1x57 h LEU 32 Ca -0.01 -0.03 0.08 0.00 0.13 0.00 0.00 57.88 58.05 1x57 h LEU 32 Cb 0.17 0.02 -0.09 0.00 -0.53 0.00 0.00 40.66 40.23 1x57 h LEU 32 CO 0.02 -0.02 -0.23 0.00 -0.13 0.00 0.00 178.44 178.08 1x57 h ALA 33 N 0.78 0.04 -0.59 1.25 0.00 -1.04 -1.26 119.26 118.44 1x57 h ALA 33 Ca -0.01 0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.07 1x57 h ALA 33 Cb 0.11 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1x57 h ALA 33 CO 0.02 -0.60 0.35 1.15 0.00 0.00 0.00 179.25 180.17 1x57 h THR 34 N -0.16 1.04 0.00 0.00 2.02 -0.85 0.17 112.91 115.14 1x57 h THR 34 Ca 0.19 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.14 1x57 h THR 34 Cb 0.46 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1x57 h THR 34 CO -0.50 0.12 0.01 0.11 0.37 0.00 0.00 175.52 175.64 1x57 h LYS 35 N 0.68 0.00 -0.08 6.66 1.57 0.10 0.06 116.57 125.57 1x57 h LYS 35 Ca 0.24 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 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 -0.12 0.00 0.00 0.44 -0.57 0.00 0.00 179.45 179.20 1x57 n ILE 36 N -2.49 0.90 -0.63 1.86 -5.35 -0.56 -4.82 119.36 108.26 1x57 n ILE 36 Ca -0.02 -0.95 0.00 0.00 -0.27 0.00 0.00 62.75 61.51 1x57 n ILE 36 Cb 0.06 0.56 0.00 0.00 -1.74 0.00 0.00 39.64 38.51 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 -0.21 -3.07 -2.30 7.28 5.15 0.44 -4.95 115.26 117.60 1x57 n ASN 37 Ca 0.03 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.99 1x57 n ASN 37 Cb 0.27 -2.49 0.01 0.00 -0.53 0.00 0.00 39.78 37.04 1x57 n ASN 37 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1x57 n GLU 38 N 0.10 1.08 -3.65 1.20 4.07 -0.25 -4.88 120.64 118.32 1x57 n GLU 38 Ca 0.00 -0.33 -0.37 0.00 -0.06 0.00 0.00 57.16 56.40 1x57 n GLU 38 Cb 0.26 -0.01 -0.06 0.00 -0.06 0.00 0.00 31.44 31.57 1x57 n GLU 38 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1x57 s LYS 39 N -2.26 3.72 0.56 5.31 -0.14 -1.26 -4.21 119.74 121.45 1x57 s LYS 39 Ca 0.05 0.16 0.34 0.00 -1.36 0.00 0.00 55.97 55.17 1x57 s LYS 39 Cb -0.00 -3.16 1.52 0.00 -1.68 0.00 0.00 37.83 34.50 1x57 s LYS 39 CO 0.03 0.69 2.05 -1.00 -0.76 0.00 0.00 175.35 176.36 1x57 h PRO 40 N 4.54 0.00 -0.67 -1.68 0.13 -1.92 -1.05 132.00 131.35 1x57 h PRO 40 Ca -0.52 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.67 1x57 h PRO 40 Cb 1.22 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1x57 h PRO 40 CO 0.62 0.03 0.37 0.37 -0.23 0.00 0.00 178.00 179.17 1x57 h GLN 41 N 0.00 0.67 -0.34 0.86 5.75 -1.94 -1.22 115.11 118.89 1x57 h GLN 41 Ca -0.00 -0.04 -0.10 0.00 -0.15 0.00 0.00 58.65 58.36 1x57 h GLN 41 Cb 0.43 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.81 1x57 h GLN 41 CO 0.00 0.44 -0.20 -0.39 -2.65 0.00 0.00 178.83 176.04 1x57 h VAL 42 N 0.69 1.26 -0.13 2.39 -1.51 -1.60 -2.23 116.25 115.13 1x57 h VAL 42 Ca 0.30 -1.25 0.01 0.00 -1.23 0.00 0.00 66.70 64.53 1x57 h VAL 42 Cb 0.18 1.22 -0.01 0.00 -2.13 0.00 0.00 31.29 30.55 1x57 h VAL 42 CO -0.18 0.41 0.06 0.40 -1.23 0.00 0.00 177.57 177.03 1x57 h ILE 43 N 0.57 0.99 -0.76 7.19 1.08 -1.38 0.17 117.51 125.38 1x57 h ILE 43 Ca 0.09 -0.05 0.07 0.00 -0.39 0.00 0.00 64.86 64.58 1x57 h ILE 43 Cb 0.66 0.85 -0.05 0.00 -3.07 0.00 0.00 36.82 35.21 1x57 h ILE 43 CO 0.05 0.02 0.50 0.00 -0.69 0.00 0.00 178.15 178.03 1x57 h ALA 44 N 1.07 1.69 0.02 1.87 0.00 -1.05 -1.58 119.26 121.28 1x57 h ALA 44 Ca 0.05 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 1x57 h ALA 44 Cb 0.02 -0.20 0.02 0.00 0.00 0.00 0.00 17.79 17.63 1x57 h ALA 44 CO -0.04 0.19 -0.91 -0.44 0.00 0.00 0.00 179.25 178.04 1x57 h ASP 45 N 0.78 0.77 -0.47 0.00 5.19 -0.77 -2.96 116.42 118.96 1x57 h ASP 45 Ca 0.33 -0.76 0.03 0.00 -0.62 0.00 0.00 57.03 56.01 1x57 h ASP 45 Cb 0.28 -0.24 -0.04 0.00 0.18 0.00 0.00 39.33 39.51 1x57 h ASP 45 CO -0.11 1.44 0.25 1.88 -3.12 0.00 0.00 179.24 179.57 1x57 h TYR 46 N 0.19 0.46 -0.91 4.55 0.05 -0.35 0.88 116.97 121.84 1x57 h TYR 46 Ca -0.12 0.02 0.11 0.00 0.05 0.00 0.00 58.73 58.79 1x57 h TYR 46 Cb 1.59 -0.14 -0.07 0.00 1.01 0.00 0.00 36.73 39.12 1x57 h TYR 46 CO 0.12 0.24 0.59 0.93 -1.05 0.00 0.00 178.16 178.99 1x57 h GLU 47 N 0.50 0.83 -0.13 4.88 5.08 -1.34 -2.02 114.58 122.38 1x57 h GLU 47 Ca 0.20 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 1x57 h GLU 47 Cb 0.08 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.14 1x57 h GLU 47 CO -0.12 0.55 0.00 -1.13 -1.00 0.00 0.00 179.01 177.30 1x57 n SER 48 N -4.56 2.18 0.00 1.42 3.41 -0.64 -4.51 113.62 110.92 1x57 n SER 48 Ca 0.17 -1.75 0.00 0.00 -0.26 0.00 0.00 58.87 57.03 1x57 n SER 48 Cb 0.36 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1x57 n SER 48 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x57 n GLY 49 N 1.25 0.55 0.07 5.00 0.00 0.00 -4.91 105.19 107.16 1x57 n GLY 49 Ca 0.17 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 1.00 0.00 -6.92 1.61 2.47 -1.17 -3.47 114.38 107.90 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 0.00 0.12 0.00 -1.65 0.00 0.00 29.97 28.44 1x57 h ARG 50 CO 0.00 0.25 0.61 0.00 0.56 0.00 0.00 179.97 181.39 1x57 n ALA 51 N -3.40 1.73 -2.13 0.04 0.00 -1.21 -4.94 120.51 110.60 1x57 n ALA 51 Ca -0.11 0.26 -0.42 0.00 0.00 0.00 0.00 53.44 53.16 1x57 n ALA 51 Cb 0.32 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.40 1x57 n ALA 51 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1x57 s ILE 52 N -1.19 3.78 0.19 0.00 1.01 -1.26 -4.82 121.20 118.92 1x57 s ILE 52 Ca 0.61 0.94 -0.30 0.00 0.00 0.00 0.00 60.65 61.90 1x57 s ILE 52 Cb -0.47 -3.63 -0.08 0.00 0.01 0.00 0.00 42.46 38.29 1x57 s ILE 52 CO 0.58 -0.10 1.20 -2.16 0.00 0.00 0.00 174.94 174.45 1x57 s PRO 53 N 3.95 4.49 -0.03 2.79 0.04 -1.26 -5.04 135.00 139.94 1x57 s PRO 53 Ca 0.68 1.89 0.02 0.00 0.04 0.00 0.00 61.00 63.62 1x57 s PRO 53 Cb -0.29 -3.23 0.01 0.00 0.04 0.00 0.00 34.50 31.03 1x57 s PRO 53 CO 0.25 -0.08 -0.06 1.21 0.04 0.00 0.00 177.00 178.36 1x57 s ASN 54 N 0.07 0.99 0.31 6.66 2.47 -1.26 -5.05 114.94 119.13 1x57 s ASN 54 Ca 0.52 -0.15 0.03 0.00 0.42 0.00 0.00 52.86 53.69 1x57 s ASN 54 Cb -0.33 -0.38 0.78 0.00 -1.45 0.00 0.00 41.25 39.88 1x57 s ASN 54 CO 0.37 -0.00 1.57 0.78 -3.72 0.00 0.00 177.10 176.10 1x57 h ASN 55 N 6.79 -0.43 -0.51 -4.21 2.35 -1.96 0.50 115.58 118.10 1x57 h ASN 55 Ca -0.35 0.28 0.10 0.00 -0.55 0.00 0.00 56.30 55.78 1x57 h ASN 55 Cb 1.16 0.47 -0.09 0.00 0.05 0.00 0.00 38.32 39.92 1x57 h ASN 55 CO 0.48 -0.36 -0.03 -0.61 -1.65 0.00 0.00 177.43 175.26 1x57 h GLN 56 N 0.01 0.08 0.05 0.81 4.15 -1.99 0.15 115.11 118.37 1x57 h GLN 56 Ca 0.61 -0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.96 1x57 h GLN 56 Cb 1.28 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.96 1x57 h GLN 56 CO -0.91 0.05 -0.29 0.28 -1.93 0.00 0.00 178.83 176.04 1x57 h VAL 57 N 0.08 1.69 -1.00 2.39 2.07 -1.56 -3.27 116.25 116.65 1x57 h VAL 57 Ca 0.26 -2.39 0.21 0.00 0.82 0.00 0.00 66.70 65.60 1x57 h VAL 57 Cb 0.39 3.30 -0.11 0.00 -1.52 0.00 0.00 31.29 33.35 1x57 h VAL 57 CO -0.45 0.64 0.61 -0.07 0.02 0.00 0.00 177.57 178.31 1x57 h LEU 58 N -0.76 0.76 -1.15 2.57 3.38 -0.67 0.68 115.31 120.12 1x57 h LEU 58 Ca -0.05 0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1x57 h LEU 58 Cb 1.21 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.93 1x57 h LEU 58 CO 0.05 0.23 -0.40 1.23 0.09 0.00 0.00 178.44 179.64 1x57 h GLY 59 N 0.72 0.00 0.54 0.83 0.00 -0.81 -0.56 103.07 103.78 1x57 h GLY 59 Ca 0.60 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.87 1x57 h GLY 59 CO -0.41 0.00 -0.20 0.50 0.00 0.00 0.00 176.54 176.43 1x57 h LYS 60 N 0.00 0.20 -0.96 4.80 1.57 -1.02 -3.27 116.57 117.89 1x57 h LYS 60 Ca -0.00 -0.16 0.05 0.00 -1.87 0.00 0.00 60.65 58.66 1x57 h LYS 60 Cb 0.77 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.05 1x57 h LYS 60 CO 0.05 0.82 0.62 0.82 -0.57 0.00 0.00 179.45 181.20 1x57 h ILE 61 N -0.37 1.12 -0.73 1.86 2.04 -0.72 -0.89 117.51 119.83 1x57 h ILE 61 Ca -0.01 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.45 1x57 h ILE 61 Cb 0.86 -0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.77 1x57 h ILE 61 CO 0.04 0.21 0.47 -0.33 0.00 0.00 0.00 178.15 178.54 1x57 h GLU 62 N 1.16 0.97 -0.41 2.37 5.08 -1.17 -1.08 114.58 121.50 1x57 h GLU 62 Ca 0.39 -0.07 -0.10 0.00 -1.00 0.00 0.00 59.36 58.59 1x57 h GLU 62 Cb 0.09 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1x57 h GLU 62 CO -0.14 0.66 -0.14 0.00 -1.00 0.00 0.00 179.01 178.39 1x57 h ARG 63 N 0.99 0.75 -0.83 2.33 3.08 -1.48 0.41 114.38 119.63 1x57 h ARG 63 Ca 0.26 -0.26 0.13 0.00 0.07 0.00 0.00 59.98 60.19 1x57 h ARG 63 Cb -0.09 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 29.85 1x57 h ARG 63 CO -0.05 0.86 0.54 0.00 -1.07 0.00 0.00 179.97 180.24 1x57 h ALA 64 N 1.16 1.89 0.00 0.04 0.00 0.10 -2.86 119.26 119.59 1x57 h ALA 64 Ca 0.11 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1x57 h ALA 64 Cb 0.62 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1x57 h ALA 64 CO 0.04 -0.10 -1.25 0.44 0.00 0.00 0.00 179.25 178.39 1x57 n ILE 65 N -4.53 0.00 -2.11 0.00 -5.35 -0.88 -4.99 119.36 101.51 1x57 n ILE 65 Ca 0.16 -0.18 -0.06 0.00 -0.27 0.00 0.00 62.75 62.40 1x57 n ILE 65 Cb 0.45 0.39 -0.00 0.00 -1.74 0.00 0.00 39.64 38.74 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 2.00 0.14 3.25 3.28 0.00 0.14 -4.99 105.19 109.02 1x57 n GLY 66 Ca -0.01 -0.65 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.60 2.42 0.33 0.99 1.43 -1.11 -1.87 118.68 119.26 1x57 s LEU 67 Ca 0.00 -1.07 -0.28 0.00 -1.03 0.00 0.00 54.13 51.76 1x57 s LEU 67 Cb -0.00 -0.26 -0.10 0.00 0.03 0.00 0.00 46.19 45.87 1x57 s LEU 67 CO 0.00 -0.41 1.17 -0.54 0.23 0.00 0.00 176.35 176.81 1x57 s LYS 68 N -3.80 4.41 0.00 1.70 1.02 0.62 -4.43 119.74 119.27 1x57 s LYS 68 Ca 0.19 1.92 0.05 0.00 0.02 0.00 0.00 55.97 58.15 1x57 s LYS 68 Cb 0.04 -3.02 0.03 0.00 -0.52 0.00 0.00 37.83 34.36 1x57 s LYS 68 CO 0.01 -0.04 0.59 1.28 -0.92 0.00 0.00 175.35 176.28 1x57 n LEU 69 N 0.78 1.25 -4.05 3.17 7.99 -1.26 -1.24 117.00 123.64 1x57 n LEU 69 Ca 0.01 -0.93 -0.18 0.00 -0.01 0.00 0.00 56.01 54.89 1x57 n LEU 69 Cb 0.44 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.61 1x57 n LEU 69 CO 0.54 0.27 -0.44 -0.13 -1.51 0.00 0.00 177.39 176.13 1x57 s ARG 70 N -0.55 0.75 0.00 3.23 0.52 -1.26 -4.80 118.95 116.85 1x57 s ARG 70 Ca 0.05 -0.45 0.00 0.00 -0.52 0.00 0.00 55.73 54.81 1x57 s ARG 70 Cb 0.04 -0.71 0.00 0.00 0.52 0.00 0.00 34.95 34.80 1x57 s ARG 70 CO 0.08 0.19 0.00 0.41 0.02 0.00 0.00 175.30 176.00 1x57 n GLY 71 N 2.54 0.57 0.06 -3.53 0.00 -1.26 -4.39 105.19 99.18 1x57 n GLY 71 Ca -0.15 -1.84 0.10 0.00 0.00 0.00 0.00 46.02 44.12 1x57 n GLY 71 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1x57 n LYS 72 N 0.82 0.09 -0.08 1.61 2.85 -1.26 -2.20 118.16 120.00 1x57 n LYS 72 Ca 0.00 0.32 0.01 0.00 -1.05 0.00 0.00 58.31 57.58 1x57 n LYS 72 Cb 0.00 -1.67 0.04 0.00 -0.65 0.00 0.00 35.03 32.75 1x57 n LYS 72 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1x57 n ASP 73 N -1.84 1.15 -4.61 -5.58 8.00 -1.26 -4.96 116.55 107.45 1x57 n ASP 73 Ca 0.03 -2.07 -0.43 0.00 0.71 0.00 0.00 54.79 53.04 1x57 n ASP 73 Cb 0.21 -0.37 -0.00 0.00 -0.02 0.00 0.00 41.12 40.93 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 -0.04 2.19 0.00 0.53 3.06 -0.93 -1.32 119.36 122.85 1x57 n ILE 74 Ca 0.03 -0.50 0.00 0.00 -2.50 0.00 0.00 62.75 59.78 1x57 n ILE 74 Cb 0.26 -1.15 0.00 0.00 0.54 0.00 0.00 39.64 39.29 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 1.15 2.24 3.78 4.50 0.00 -0.37 -4.92 105.19 111.56 1x57 n GLY 75 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 3.33 0.73 1.61 -0.14 -0.43 -4.74 119.74 120.10 1x57 s LYS 76 Ca 0.00 1.52 -0.13 0.00 -1.36 0.00 0.00 55.97 56.00 1x57 s LYS 76 Cb 0.00 -2.01 0.04 0.00 -1.68 0.00 0.00 37.83 34.18 1x57 s LYS 76 CO 0.00 -0.85 1.12 -1.25 -0.76 0.00 0.00 175.35 173.61 1x57 s PRO 77 N -3.45 2.37 0.24 -1.68 0.04 -1.26 -0.27 135.00 130.99 1x57 s PRO 77 Ca 0.71 1.38 0.05 0.00 0.04 0.00 0.00 61.00 63.18 1x57 s PRO 77 Cb -0.22 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 1x57 s PRO 77 CO 0.29 -1.59 0.33 0.96 0.04 0.00 0.00 177.00 177.03 1x57 s ILE 78 N -2.51 5.10 -0.44 0.56 -4.36 -0.78 -4.54 121.20 114.23 1x57 s ILE 78 Ca 0.66 -1.06 -0.34 0.00 -0.26 0.00 0.00 60.65 59.65 1x57 s ILE 78 Cb -0.21 -3.77 0.05 0.00 1.25 0.00 0.00 42.46 39.78 1x57 s ILE 78 CO 0.48 -0.33 0.64 -0.62 0.24 0.00 0.00 174.94 175.36 1x57 n GLU 79 N -1.37 -2.01 -1.72 0.37 1.02 -1.26 -4.70 120.64 110.96 1x57 n GLU 79 Ca -0.09 1.57 -0.18 0.00 -0.02 0.00 0.00 57.16 58.44 1x57 n GLU 79 Cb 0.57 -2.78 -0.08 0.00 -0.02 0.00 0.00 31.44 29.13 1x57 n GLU 79 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1x57 s LYS 80 N -2.46 1.66 0.00 3.49 1.02 -1.26 -4.90 119.74 117.29 1x57 s LYS 80 Ca 0.35 -0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.11 1x57 s LYS 80 Cb -0.05 -4.97 0.00 0.00 -0.52 0.00 0.00 37.83 32.30 1x57 s LYS 80 CO 0.84 -4.71 0.00 0.41 -0.92 0.00 0.00 175.35 170.98 1x57 n GLY 81 N 6.40 1.03 3.69 -3.33 0.00 -1.26 -4.90 105.19 106.82 1x57 n GLY 81 Ca 0.43 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 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 1.10 4.21 -1.27 1.61 0.04 -1.26 -2.75 135.00 136.68 1x57 s PRO 82 Ca 0.00 2.28 -0.11 0.00 0.04 0.00 0.00 61.00 63.22 1x57 s PRO 82 Cb 0.00 -3.58 0.01 0.00 0.04 0.00 0.00 34.50 30.97 1x57 s PRO 82 CO 0.00 -0.71 0.20 0.54 0.04 0.00 0.00 177.00 177.07 1x57 n ARG 83 N 5.52 -0.73 -1.16 4.56 1.74 -1.26 -4.82 116.66 120.52 1x57 n ARG 83 Ca 0.15 0.05 -0.38 0.00 -0.77 0.00 0.00 57.85 56.90 1x57 n ARG 83 Cb 0.41 -2.77 -0.04 0.00 -1.02 0.00 0.00 32.46 29.04 1x57 n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x57 n ALA 84 N -4.31 4.20 -1.14 7.54 0.00 -1.11 -4.93 120.51 120.76 1x57 n ALA 84 Ca -0.23 -3.11 -0.29 0.00 0.00 0.00 0.00 53.44 49.81 1x57 n ALA 84 Cb 0.57 -3.46 0.16 0.00 0.00 0.00 0.00 19.45 16.72 1x57 n ALA 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1x57 s LYS 85 N 4.21 0.89 0.23 0.00 -2.85 -1.26 -4.91 119.74 116.04 1x57 s LYS 85 Ca 0.52 0.76 0.00 0.00 -1.00 0.00 0.00 55.97 56.25 1x57 s LYS 85 Cb 0.14 -1.77 0.00 0.00 -2.06 0.00 0.00 37.83 34.13 1x57 s LYS 85 CO 0.04 -2.48 0.00 0.45 0.10 0.00 0.00 175.35 173.46 1x57 n SER 86 N -4.04 -1.05 0.00 0.03 2.88 -1.26 -4.70 113.62 105.47 1x57 n SER 86 Ca 0.06 0.42 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 1x57 n SER 86 Cb 0.56 1.14 0.00 0.00 -0.75 0.00 0.00 64.21 65.15 1x57 n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x57 n GLY 87 N 0.46 1.87 0.01 0.46 0.00 -1.26 -5.03 105.19 101.70 1x57 n GLY 87 Ca 0.00 -0.38 0.14 0.00 0.00 0.00 0.00 46.02 45.78 1x57 n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x57 n PRO 88 N 0.00 0.25 -0.09 1.61 -0.04 -1.26 -3.26 135.00 132.21 1x57 n PRO 88 Ca 0.00 -0.02 -0.18 0.00 -0.04 0.00 0.00 63.50 63.25 1x57 n PRO 88 Cb 0.00 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 31.84 1x57 n PRO 88 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1x57 h SER 89 N 0.06 0.00 -1.91 3.54 0.87 -2.08 -3.51 113.55 110.51 1x57 h SER 89 Ca 0.00 -0.65 0.23 0.00 -1.23 0.00 0.00 61.79 60.13 1x57 h SER 89 Cb 0.40 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.30 1x57 h SER 89 CO 0.00 1.29 -0.30 -1.20 -0.53 0.00 0.00 176.83 176.09 1x57 n SER 90 N -4.50 -5.28 0.00 6.23 7.64 -1.20 -5.30 113.62 111.20 1x57 n SER 90 Ca -0.23 0.90 0.00 0.00 1.01 0.00 0.00 58.87 60.54 1x57 n SER 90 Cb 0.59 -2.69 0.00 0.00 -1.01 0.00 0.00 64.21 61.10 1x57 n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64