#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 -3.38 -4.64 1.61 3.41 -1.26 -4.91 113.62 104.45 1x57 n SER 2 Ca 0.00 0.19 -0.43 0.00 -0.26 0.00 0.00 58.87 58.38 1x57 n SER 2 Cb 0.00 -2.89 -0.02 0.00 -0.26 0.00 0.00 64.21 61.03 1x57 n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x57 s SER 3 N -2.09 6.80 0.00 4.04 0.15 -1.26 -4.91 113.70 116.43 1x57 s SER 3 Ca 0.04 1.45 0.00 0.00 0.70 0.00 0.00 55.95 58.14 1x57 s SER 3 Cb -0.02 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 1x57 s SER 3 CO 0.05 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.17 1x57 n GLY 4 N 3.98 -0.35 5.00 9.45 0.00 -1.26 -4.98 105.19 117.02 1x57 n GLY 4 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1x57 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1x57 n SER 5 N -1.00 0.00 -1.16 1.61 7.64 -1.26 -4.94 113.62 114.51 1x57 n SER 5 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.03 1x57 n SER 5 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1x57 n SER 5 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1x57 n SER 6 N 0.05 -6.67 0.00 6.43 2.88 -1.26 -5.06 113.62 109.99 1x57 n SER 6 Ca 0.00 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.09 1x57 n SER 6 Cb 0.00 -3.65 0.00 0.00 -0.75 0.00 0.00 64.21 59.81 1x57 n SER 6 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x57 n GLY 7 N -3.51 0.81 3.79 0.46 0.00 -1.26 -5.16 105.19 100.31 1x57 n GLY 7 Ca -0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.74 1x57 n GLY 7 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1x57 s ASP 8 N 0.00 -0.01 -0.01 1.61 1.47 -1.26 -5.08 116.67 113.39 1x57 s ASP 8 Ca 0.00 -1.00 0.02 0.00 1.18 0.00 0.00 52.55 52.74 1x57 s ASP 8 Cb 0.00 0.79 0.03 0.00 -0.34 0.00 0.00 42.92 43.39 1x57 s ASP 8 CO 0.00 -1.53 0.84 -1.14 0.68 0.00 0.00 175.17 174.01 1x57 n ARG 9 N -0.50 0.29 -1.86 2.11 3.00 -1.26 -5.10 116.66 113.35 1x57 n ARG 9 Ca -0.06 -0.99 -0.33 0.00 -0.00 0.00 0.00 57.85 56.47 1x57 n ARG 9 Cb 0.60 -0.62 0.04 0.00 0.00 0.00 0.00 32.46 32.48 1x57 n ARG 9 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 1x57 s VAL 10 N -0.31 3.37 -0.35 5.15 -7.23 -1.26 -5.04 120.40 114.73 1x57 s VAL 10 Ca 0.03 0.65 0.02 0.00 -1.81 0.00 0.00 61.98 60.87 1x57 s VAL 10 Cb 0.02 -3.18 0.15 0.00 0.56 0.00 0.00 36.38 33.94 1x57 s VAL 10 CO 0.00 -0.38 0.38 0.42 -0.31 0.00 0.00 175.10 175.21 1x57 s THR 11 N -2.33 -0.41 0.26 5.32 -4.23 -1.26 -5.12 115.64 107.88 1x57 s THR 11 Ca 0.67 -0.76 -0.30 0.00 -1.18 0.00 0.00 61.69 60.12 1x57 s THR 11 Cb -0.20 -0.75 -0.10 0.00 1.34 0.00 0.00 72.50 72.80 1x57 s THR 11 CO 0.39 -0.50 1.33 -0.22 -0.54 0.00 0.00 174.62 175.08 1x57 s LEU 12 N 1.78 4.42 0.05 4.79 2.96 -1.26 -4.94 118.68 126.48 1x57 s LEU 12 Ca 0.14 2.56 -0.33 0.00 -0.22 0.00 0.00 54.13 56.28 1x57 s LEU 12 Cb -0.14 -3.63 -0.19 0.00 0.50 0.00 0.00 46.19 42.74 1x57 s LEU 12 CO -0.13 -0.55 1.47 -0.08 -1.32 0.00 0.00 176.35 175.75 1x57 h GLU 13 N 4.50 -0.98 0.54 1.98 4.81 -1.99 0.87 114.58 124.32 1x57 h GLU 13 Ca -0.47 0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 58.81 1x57 h GLU 13 Cb 1.22 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.81 1x57 h GLU 13 CO 0.73 -0.64 -0.38 0.28 -0.73 0.00 0.00 179.01 178.27 1x57 h VAL 14 N -1.10 0.23 -0.70 0.32 2.07 -1.93 -1.84 116.25 113.31 1x57 h VAL 14 Ca -0.10 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.57 1x57 h VAL 14 Cb 0.79 0.23 -0.11 0.00 -1.52 0.00 0.00 31.29 30.69 1x57 h VAL 14 CO 0.17 0.00 0.11 1.23 0.02 0.00 0.00 177.57 179.10 1x57 h GLY 15 N -0.89 0.88 0.91 2.17 0.00 -1.74 0.91 103.07 105.31 1x57 h GLY 15 Ca -0.06 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1x57 h GLY 15 CO 0.03 -0.21 0.04 1.70 0.00 0.00 0.00 176.54 178.11 1x57 h LYS 16 N 0.21 0.12 -0.78 4.80 3.64 -0.63 0.17 116.57 124.09 1x57 h LYS 16 Ca 0.38 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1x57 h LYS 16 Cb 0.65 -0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.41 1x57 h LYS 16 CO -0.53 0.18 0.48 0.28 -2.27 0.00 0.00 179.45 177.60 1x57 h VAL 17 N 0.02 1.21 0.08 2.00 2.07 -0.52 0.94 116.25 122.05 1x57 h VAL 17 Ca 0.03 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.10 1x57 h VAL 17 Cb 0.10 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1x57 h VAL 17 CO -0.00 0.22 -0.09 0.40 0.02 0.00 0.00 177.57 178.11 1x57 h ILE 18 N 1.06 0.00 -0.24 4.57 2.04 -0.62 -1.27 117.51 123.06 1x57 h ILE 18 Ca 0.28 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.20 1x57 h ILE 18 Cb -0.06 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.01 1x57 h ILE 18 CO -0.06 0.00 0.17 -0.61 0.00 0.00 0.00 178.15 177.66 1x57 h GLN 19 N -0.18 0.04 0.05 2.37 4.15 -0.38 0.17 115.11 121.34 1x57 h GLN 19 Ca -0.01 -0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.41 1x57 h GLN 19 Cb 0.16 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.84 1x57 h GLN 19 CO -0.02 0.03 -0.02 1.96 -1.93 0.00 0.00 178.83 178.85 1x57 h GLN 20 N 0.05 -0.06 0.00 1.69 4.20 -0.77 -2.48 115.11 117.73 1x57 h GLN 20 Ca 0.11 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.76 1x57 h GLN 20 Cb 0.40 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 1x57 h GLN 20 CO -0.01 -0.04 -0.31 0.78 -0.67 0.00 0.00 178.83 178.58 1x57 h GLY 21 N -0.08 0.00 0.37 3.46 0.00 -0.41 0.64 103.07 107.06 1x57 h GLY 21 Ca -0.01 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 1x57 h GLY 21 CO 0.01 0.00 -0.50 -0.09 0.00 0.00 0.00 176.54 175.96 1x57 h ARG 22 N 0.00 -0.87 0.00 4.80 2.43 -0.84 -2.68 114.38 117.23 1x57 h ARG 22 Ca -0.00 0.06 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 1x57 h ARG 22 Cb 0.57 0.20 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1x57 h ARG 22 CO 0.04 -0.58 -0.33 1.96 -1.51 0.00 0.00 179.97 179.55 1x57 h GLN 23 N -0.90 0.00 0.00 0.20 1.08 -0.79 -0.19 115.11 114.52 1x57 h GLN 23 Ca -0.04 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.16 1x57 h GLN 23 Cb 0.81 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.24 1x57 h GLN 23 CO -0.13 0.33 -0.00 0.77 -0.95 0.00 0.00 178.83 178.85 1x57 h SER 24 N 0.00 0.00 -0.23 1.46 0.02 -0.78 0.21 113.55 114.22 1x57 h SER 24 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1x57 h SER 24 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1x57 h SER 24 CO 0.04 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 176.03 1x57 n LYS 25 N -3.14 1.98 -0.99 3.45 5.02 -0.60 -4.99 118.16 118.90 1x57 n LYS 25 Ca -0.03 -1.76 0.00 0.00 -2.02 0.00 0.00 58.31 54.51 1x57 n LYS 25 Cb 0.10 -1.27 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 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 0.66 0.18 3.72 0.72 0.00 0.06 -4.94 105.19 105.58 1x57 n GLY 26 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 4.38 0.89 0.99 1.43 -0.18 -4.90 118.68 121.29 1x57 s LEU 27 Ca 0.00 2.04 -0.11 0.00 -1.03 0.00 0.00 54.13 55.03 1x57 s LEU 27 Cb 0.00 -3.58 0.13 0.00 0.03 0.00 0.00 46.19 42.76 1x57 s LEU 27 CO 0.00 -0.45 1.10 0.42 0.23 0.00 0.00 176.35 177.66 1x57 s THR 28 N 0.89 2.62 0.35 5.49 -4.23 -1.26 -4.51 115.64 114.99 1x57 s THR 28 Ca 0.58 0.20 0.07 0.00 -1.18 0.00 0.00 61.69 61.36 1x57 s THR 28 Cb -0.30 -2.50 0.31 0.00 1.34 0.00 0.00 72.50 71.35 1x57 s THR 28 CO 0.30 -0.27 1.89 1.56 -0.54 0.00 0.00 174.62 177.57 1x57 h GLN 29 N -1.63 0.73 -0.50 3.99 4.20 -1.96 -1.02 115.11 118.93 1x57 h GLN 29 Ca -0.47 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.16 1x57 h GLN 29 Cb 1.27 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.86 1x57 h GLN 29 CO 0.49 0.48 0.17 0.87 -0.67 0.00 0.00 178.83 180.17 1x57 h LYS 30 N 0.75 0.77 -0.21 1.46 1.57 -1.91 -0.86 116.57 118.15 1x57 h LYS 30 Ca 0.41 -0.16 -0.14 0.00 -1.87 0.00 0.00 60.65 58.90 1x57 h LYS 30 Cb 0.56 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 1x57 h LYS 30 CO -0.18 0.71 -0.45 -0.44 -0.57 0.00 0.00 179.45 178.52 1x57 h ASP 31 N 0.68 0.56 -0.41 0.86 5.19 -1.71 -1.83 116.42 119.76 1x57 h ASP 31 Ca 0.16 -0.26 0.01 0.00 -0.62 0.00 0.00 57.03 56.32 1x57 h ASP 31 Cb 0.26 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.59 1x57 h ASP 31 CO -0.01 0.93 0.26 0.25 -3.12 0.00 0.00 179.24 177.56 1x57 h LEU 32 N 0.42 0.44 0.21 1.55 7.12 -1.03 0.12 115.31 124.14 1x57 h LEU 32 Ca 0.03 -0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.04 1x57 h LEU 32 Cb 0.96 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.96 1x57 h LEU 32 CO 0.08 0.32 -0.25 0.00 -0.13 0.00 0.00 178.44 178.46 1x57 h ALA 33 N 1.16 -0.48 -0.07 1.25 0.00 -0.89 -2.01 119.26 118.22 1x57 h ALA 33 Ca 0.15 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1x57 h ALA 33 Cb -0.04 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1x57 h ALA 33 CO -0.05 -0.81 -0.37 1.15 0.00 0.00 0.00 179.25 179.17 1x57 h THR 34 N -0.51 1.29 -0.32 0.00 2.02 -1.24 0.21 112.91 114.36 1x57 h THR 34 Ca 0.01 -1.37 0.07 0.00 0.77 0.00 0.00 66.41 65.88 1x57 h THR 34 Cb 0.49 1.65 -0.07 0.00 -1.74 0.00 0.00 68.15 68.48 1x57 h THR 34 CO -0.08 0.40 -0.12 0.11 0.37 0.00 0.00 175.52 176.20 1x57 h LYS 35 N 0.12 -0.05 -0.08 6.66 1.57 -0.11 -0.77 116.57 123.91 1x57 h LYS 35 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1x57 h LYS 35 Cb 0.72 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1x57 h LYS 35 CO 0.05 -0.03 0.00 0.44 -0.57 0.00 0.00 179.45 179.34 1x57 n ILE 36 N -5.30 0.10 -3.51 1.86 -5.35 -0.82 -4.97 119.36 101.38 1x57 n ILE 36 Ca 0.01 -0.25 -0.24 0.00 -0.27 0.00 0.00 62.75 61.99 1x57 n ILE 36 Cb 0.21 0.29 0.01 0.00 -1.74 0.00 0.00 39.64 38.41 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 0.06 -5.77 -3.90 7.28 2.85 -0.05 -5.05 115.26 110.69 1x57 n ASN 37 Ca 0.18 -0.44 -0.15 0.00 -0.11 0.00 0.00 54.58 54.06 1x57 n ASN 37 Cb 0.30 -2.53 -0.09 0.00 1.24 0.00 0.00 39.78 38.69 1x57 n ASN 37 CO 0.00 0.00 0.00 -1.61 -2.11 0.00 0.00 177.26 173.54 1x57 s GLU 38 N -3.65 1.44 0.29 1.20 0.41 0.54 -4.97 118.70 113.96 1x57 s GLU 38 Ca 0.15 -1.80 -0.25 0.00 -0.41 0.00 0.00 54.97 52.67 1x57 s GLU 38 Cb -0.02 0.23 -0.09 0.00 -1.78 0.00 0.00 34.13 32.47 1x57 s GLU 38 CO 0.86 -0.48 0.89 0.15 -0.49 0.00 0.00 175.26 176.19 1x57 s LYS 39 N -3.88 4.51 0.30 1.61 -0.14 -1.26 -4.15 119.74 116.73 1x57 s LYS 39 Ca 0.39 1.22 0.25 0.00 -1.36 0.00 0.00 55.97 56.48 1x57 s LYS 39 Cb 0.05 -2.84 0.73 0.00 -1.68 0.00 0.00 37.83 34.10 1x57 s LYS 39 CO 0.18 0.32 1.74 -1.00 -0.76 0.00 0.00 175.35 175.82 1x57 h PRO 40 N 3.28 0.00 -0.21 -1.68 0.13 -1.91 -3.01 132.00 128.60 1x57 h PRO 40 Ca -0.47 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.56 1x57 h PRO 40 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 1x57 h PRO 40 CO 0.65 0.00 -0.32 0.37 -0.23 0.00 0.00 178.00 178.47 1x57 h GLN 41 N 0.00 0.42 0.00 0.86 5.75 -1.95 -1.74 115.11 118.45 1x57 h GLN 41 Ca 0.00 -0.18 -0.10 0.00 -0.15 0.00 0.00 58.65 58.22 1x57 h GLN 41 Cb 0.76 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 29.28 1x57 h GLN 41 CO 0.00 0.70 -0.48 -0.39 -2.65 0.00 0.00 178.83 176.01 1x57 h VAL 42 N 0.37 1.12 0.04 2.39 -1.51 -1.95 -1.46 116.25 115.25 1x57 h VAL 42 Ca 0.05 -1.77 -0.00 0.00 -1.23 0.00 0.00 66.70 63.74 1x57 h VAL 42 Cb 0.74 2.02 0.00 0.00 -2.13 0.00 0.00 31.29 31.92 1x57 h VAL 42 CO 0.06 0.47 -0.02 0.40 -1.23 0.00 0.00 177.57 177.24 1x57 h ILE 43 N 0.00 1.10 -0.64 7.19 1.08 -1.53 0.16 117.51 124.86 1x57 h ILE 43 Ca -0.00 -0.45 0.05 0.00 -0.39 0.00 0.00 64.86 64.07 1x57 h ILE 43 Cb 0.98 1.40 -0.04 0.00 -3.07 0.00 0.00 36.82 36.09 1x57 h ILE 43 CO 0.06 0.11 0.43 0.00 -0.69 0.00 0.00 178.15 178.06 1x57 h ALA 44 N 0.70 1.72 -0.02 1.87 0.00 -1.11 -1.45 119.26 120.97 1x57 h ALA 44 Ca -0.01 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1x57 h ALA 44 Cb 0.23 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1x57 h ALA 44 CO 0.01 0.19 -0.66 -0.44 0.00 0.00 0.00 179.25 178.35 1x57 h ASP 45 N 0.69 0.10 -0.07 0.00 3.32 -1.00 -1.34 116.42 118.13 1x57 h ASP 45 Ca 0.27 -0.06 0.02 0.00 0.02 0.00 0.00 57.03 57.28 1x57 h ASP 45 Cb 0.19 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.68 1x57 h ASP 45 CO -0.08 0.73 -0.08 1.88 -1.72 0.00 0.00 179.24 179.97 1x57 h TYR 46 N 0.06 -0.18 0.00 4.55 0.05 0.36 0.18 116.97 121.99 1x57 h TYR 46 Ca -0.01 0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.71 1x57 h TYR 46 Cb 1.17 0.09 -0.01 0.00 1.01 0.00 0.00 36.73 38.99 1x57 h TYR 46 CO 0.01 -0.12 -0.37 0.93 -1.05 0.00 0.00 178.16 177.57 1x57 h GLU 47 N -0.10 0.00 -0.22 4.88 5.08 -1.33 -2.85 114.58 120.05 1x57 h GLU 47 Ca 0.06 0.00 -0.16 0.00 -1.00 0.00 0.00 59.36 58.25 1x57 h GLU 47 Cb 0.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.42 1x57 h GLU 47 CO -0.13 0.37 -0.54 0.77 -1.00 0.00 0.00 179.01 178.48 1x57 h SER 48 N 0.00 0.71 0.00 1.42 0.02 -0.78 -3.43 113.55 111.48 1x57 h SER 48 Ca -0.00 -0.37 0.00 0.00 -0.84 0.00 0.00 61.79 60.57 1x57 h SER 48 Cb 0.66 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1x57 h SER 48 CO 0.05 1.10 0.00 0.61 -1.14 0.00 0.00 176.83 177.45 1x57 n GLY 49 N 0.26 1.31 0.14 -3.77 0.00 0.32 -5.00 105.19 98.46 1x57 n GLY 49 Ca -0.03 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.79 1x57 n GLY 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x57 n ARG 50 N -0.62 0.59 -1.91 1.61 5.12 0.36 -4.87 116.66 116.95 1x57 n ARG 50 Ca 0.00 0.17 -0.42 0.00 -1.93 0.00 0.00 57.85 55.67 1x57 n ARG 50 Cb 0.00 -1.47 -0.03 0.00 -1.16 0.00 0.00 32.46 29.80 1x57 n ARG 50 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1x57 s ALA 51 N -2.48 3.80 0.02 7.54 0.00 -1.11 -4.93 121.76 124.60 1x57 s ALA 51 Ca -0.34 1.40 -0.30 0.00 0.00 0.00 0.00 51.96 52.72 1x57 s ALA 51 Cb 0.10 -3.63 -0.07 0.00 0.00 0.00 0.00 23.12 19.52 1x57 s ALA 51 CO 0.53 -0.80 1.51 0.42 0.00 0.00 0.00 175.76 177.42 1x57 s ILE 52 N 1.14 3.45 -0.39 0.00 -1.09 -1.26 -4.69 121.20 118.36 1x57 s ILE 52 Ca 0.71 0.85 -0.29 0.00 -2.23 0.00 0.00 60.65 59.69 1x57 s ILE 52 Cb -0.44 -3.55 0.01 0.00 -1.58 0.00 0.00 42.46 36.90 1x57 s ILE 52 CO 0.31 -0.01 1.30 -2.16 -1.23 0.00 0.00 174.94 173.16 1x57 s PRO 53 N 2.56 3.73 -0.17 2.79 0.04 -1.26 -4.97 135.00 137.72 1x57 s PRO 53 Ca 0.68 0.95 -0.06 0.00 0.04 0.00 0.00 61.00 62.61 1x57 s PRO 53 Cb -0.35 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.21 1x57 s PRO 53 CO 0.29 -1.37 0.04 1.21 0.04 0.00 0.00 177.00 177.21 1x57 s ASN 54 N 3.17 5.45 0.50 6.66 2.47 -1.26 -4.96 114.94 126.98 1x57 s ASN 54 Ca 0.56 0.05 0.29 0.00 0.42 0.00 0.00 52.86 54.18 1x57 s ASN 54 Cb -0.13 -1.91 1.39 0.00 -1.45 0.00 0.00 41.25 39.15 1x57 s ASN 54 CO 0.29 0.19 1.86 0.78 -3.72 0.00 0.00 177.10 176.50 1x57 h ASN 55 N 6.58 0.12 0.72 -4.21 2.35 -1.97 0.21 115.58 119.37 1x57 h ASN 55 Ca -0.37 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.36 1x57 h ASN 55 Cb 1.17 -0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.55 1x57 h ASN 55 CO 0.68 0.04 -0.35 1.56 -1.65 0.00 0.00 177.43 177.71 1x57 h GLN 56 N 0.11 -0.93 -0.27 0.81 4.20 -1.99 -1.63 115.11 115.42 1x57 h GLN 56 Ca 0.47 0.06 0.01 0.00 0.06 0.00 0.00 58.65 59.25 1x57 h GLN 56 Cb 1.68 0.21 -0.02 0.00 0.30 0.00 0.00 27.48 29.66 1x57 h GLN 56 CO -0.07 -0.61 0.17 0.28 -0.67 0.00 0.00 178.83 177.93 1x57 h VAL 57 N -1.23 1.05 -0.58 -0.54 2.07 -1.62 -0.56 116.25 114.85 1x57 h VAL 57 Ca -0.10 -0.12 0.11 0.00 0.82 0.00 0.00 66.70 67.42 1x57 h VAL 57 Cb 0.75 0.68 -0.11 0.00 -1.52 0.00 0.00 31.29 31.09 1x57 h VAL 57 CO 0.16 0.06 -0.19 -0.07 0.02 0.00 0.00 177.57 177.55 1x57 h LEU 58 N 0.34 -0.70 -0.77 2.57 3.38 -0.76 0.74 115.31 120.12 1x57 h LEU 58 Ca 0.10 0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.37 1x57 h LEU 58 Cb -0.02 0.42 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 1x57 h LEU 58 CO -0.03 -0.23 0.39 1.23 0.09 0.00 0.00 178.44 179.88 1x57 h GLY 59 N -0.05 1.19 0.92 0.83 0.00 -0.14 0.73 103.07 106.55 1x57 h GLY 59 Ca 0.27 -0.23 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 1x57 h GLY 59 CO -0.62 0.03 -0.02 0.50 0.00 0.00 0.00 176.54 176.43 1x57 h LYS 60 N 0.62 0.64 -0.73 4.80 1.57 0.29 -2.95 116.57 120.81 1x57 h LYS 60 Ca 0.39 -0.21 0.01 0.00 -1.87 0.00 0.00 60.65 58.97 1x57 h LYS 60 Cb 0.47 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.69 1x57 h LYS 60 CO -0.31 0.76 0.48 0.82 -0.57 0.00 0.00 179.45 180.64 1x57 h ILE 61 N 0.45 1.19 -0.33 1.86 2.04 0.00 -0.93 117.51 121.79 1x57 h ILE 61 Ca 0.10 -0.34 0.02 0.00 1.00 0.00 0.00 64.86 65.64 1x57 h ILE 61 Cb 0.49 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 1x57 h ILE 61 CO 0.02 0.18 0.16 -0.33 0.00 0.00 0.00 178.15 178.18 1x57 h GLU 62 N 0.99 0.32 0.00 2.37 5.08 -0.72 -1.25 114.58 121.38 1x57 h GLU 62 Ca 0.27 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.53 1x57 h GLU 62 Cb -0.11 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 1x57 h GLU 62 CO -0.06 0.21 -0.35 0.00 -1.00 0.00 0.00 179.01 177.81 1x57 h ARG 63 N 0.33 0.00 -1.00 2.33 3.08 -1.39 0.39 114.38 118.13 1x57 h ARG 63 Ca 0.14 0.00 0.06 0.00 0.07 0.00 0.00 59.98 60.24 1x57 h ARG 63 Cb 0.05 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.04 1x57 h ARG 63 CO -0.10 0.35 0.64 0.00 -1.07 0.00 0.00 179.97 179.80 1x57 h ALA 64 N 1.65 1.36 0.00 0.04 0.00 0.00 -3.30 119.26 119.01 1x57 h ALA 64 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1x57 h ALA 64 Cb 0.76 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1x57 h ALA 64 CO 0.05 0.47 -0.75 0.44 0.00 0.00 0.00 179.25 179.46 1x57 n ILE 65 N -4.49 0.00 -2.20 0.00 -5.35 -0.92 -4.99 119.36 101.41 1x57 n ILE 65 Ca 0.15 -0.21 -0.07 0.00 -0.27 0.00 0.00 62.75 62.34 1x57 n ILE 65 Cb 0.15 0.65 -0.00 0.00 -1.74 0.00 0.00 39.64 38.71 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 1.83 0.10 3.45 3.28 0.00 0.14 -4.89 105.19 109.11 1x57 n GLY 66 Ca -0.00 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.18 2.55 0.27 0.99 1.43 -1.17 -1.30 118.68 119.26 1x57 s LEU 67 Ca 0.02 -1.18 -0.29 0.00 -1.03 0.00 0.00 54.13 51.65 1x57 s LEU 67 Cb -0.01 -0.75 -0.09 0.00 0.03 0.00 0.00 46.19 45.37 1x57 s LEU 67 CO 0.02 -0.28 0.97 -0.54 0.23 0.00 0.00 176.35 176.76 1x57 s LYS 68 N -3.68 4.75 0.00 1.70 1.02 0.80 -4.35 119.74 119.98 1x57 s LYS 68 Ca 0.30 1.53 0.00 0.00 0.02 0.00 0.00 55.97 57.81 1x57 s LYS 68 Cb 0.03 -3.17 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 1x57 s LYS 68 CO 0.13 0.40 0.89 1.28 -0.92 0.00 0.00 175.35 177.13 1x57 n LEU 69 N 1.24 1.78 -4.15 3.17 7.99 -1.26 -1.11 117.00 124.65 1x57 n LEU 69 Ca -0.01 -1.78 -0.11 0.00 -0.01 0.00 0.00 56.01 54.10 1x57 n LEU 69 Cb 0.47 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.69 1x57 n LEU 69 CO 0.50 0.44 -0.20 -0.13 -1.51 0.00 0.00 177.39 176.49 1x57 s ARG 70 N -0.78 1.17 0.36 3.23 0.52 -1.26 -4.96 118.95 117.22 1x57 s ARG 70 Ca 0.00 -1.52 0.00 0.00 -0.52 0.00 0.00 55.73 53.69 1x57 s ARG 70 Cb 0.00 0.29 0.00 0.00 0.52 0.00 0.00 34.95 35.76 1x57 s ARG 70 CO 0.00 -0.39 0.00 0.41 0.02 0.00 0.00 175.30 175.34 1x57 n GLY 71 N -0.24 -3.15 0.17 -3.53 0.00 -1.26 -3.82 105.19 93.36 1x57 n GLY 71 Ca -0.01 -1.19 0.13 0.00 0.00 0.00 0.00 46.02 44.95 1x57 n GLY 71 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1x57 h LYS 72 N -0.66 0.00 -0.06 1.61 1.57 -2.01 -2.03 116.57 114.99 1x57 h LYS 72 Ca -0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.68 1x57 h LYS 72 Cb 0.75 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.06 1x57 h LYS 72 CO 0.04 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.67 1x57 n ASP 73 N -2.39 0.06 -4.58 0.86 8.00 -1.26 -4.89 116.55 112.35 1x57 n ASP 73 Ca -0.00 -0.66 -0.41 0.00 0.71 0.00 0.00 54.79 54.43 1x57 n ASP 73 Cb 0.13 -0.03 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 -0.36 2.43 -0.49 0.53 3.06 -0.77 -1.80 119.36 121.97 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 0.01 -1.05 0.00 0.00 0.54 0.00 0.00 39.64 39.14 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 1.29 1.15 3.77 4.50 0.00 -0.27 -4.93 105.19 110.71 1x57 n GLY 75 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.22 3.25 0.75 1.61 -0.14 -0.74 -4.78 119.74 119.46 1x57 s LYS 76 Ca 0.00 1.59 -0.12 0.00 -1.36 0.00 0.00 55.97 56.08 1x57 s LYS 76 Cb 0.00 -1.99 0.04 0.00 -1.68 0.00 0.00 37.83 34.20 1x57 s LYS 76 CO 0.00 -0.93 1.10 -1.25 -0.76 0.00 0.00 175.35 173.51 1x57 s PRO 77 N -3.41 2.36 0.07 -1.68 0.04 -1.26 -0.14 135.00 130.98 1x57 s PRO 77 Ca 0.72 1.25 0.01 0.00 0.04 0.00 0.00 61.00 63.02 1x57 s PRO 77 Cb -0.24 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 1x57 s PRO 77 CO 0.29 -1.57 0.18 0.96 0.04 0.00 0.00 177.00 176.90 1x57 s ILE 78 N -2.72 5.15 0.00 0.56 -4.36 -0.42 -4.51 121.20 114.90 1x57 s ILE 78 Ca 0.63 -0.51 0.00 0.00 -0.26 0.00 0.00 60.65 60.52 1x57 s ILE 78 Cb -0.18 -3.51 0.00 0.00 1.25 0.00 0.00 42.46 40.02 1x57 s ILE 78 CO 0.52 0.13 0.00 -0.62 0.24 0.00 0.00 174.94 175.21 1x57 n GLU 79 N 0.31 0.00 -1.84 0.37 1.02 -1.26 -4.67 120.64 114.57 1x57 n GLU 79 Ca -0.06 0.00 -0.28 0.00 -0.02 0.00 0.00 57.16 56.80 1x57 n GLU 79 Cb 0.51 0.00 -0.05 0.00 -0.02 0.00 0.00 31.44 31.89 1x57 n GLU 79 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1x57 s LYS 80 N 0.00 2.24 0.68 3.49 2.20 -1.26 -4.92 119.74 122.16 1x57 s LYS 80 Ca 0.00 0.41 -0.17 0.00 -0.36 0.00 0.00 55.97 55.86 1x57 s LYS 80 Cb 0.00 -4.75 -0.01 0.00 -1.51 0.00 0.00 37.83 31.55 1x57 s LYS 80 CO 0.00 -3.50 1.00 0.41 -0.36 0.00 0.00 175.35 172.90 1x57 n GLY 81 N 6.43 -0.31 3.69 5.54 0.00 -1.26 -4.78 105.19 114.51 1x57 n GLY 81 Ca 0.37 -0.26 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.17 4.16 -1.31 1.61 0.04 -1.26 -1.94 135.00 133.13 1x57 s PRO 82 Ca 0.75 2.50 -0.05 0.00 0.04 0.00 0.00 61.00 64.24 1x57 s PRO 82 Cb -0.37 -3.57 0.03 0.00 0.04 0.00 0.00 34.50 30.63 1x57 s PRO 82 CO 0.48 -0.80 0.35 0.54 0.04 0.00 0.00 177.00 177.61 1x57 n ARG 83 N 5.57 -3.31 -1.55 4.56 1.74 -1.26 -4.88 116.66 117.52 1x57 n ARG 83 Ca 0.17 0.65 -0.51 0.00 -0.77 0.00 0.00 57.85 57.38 1x57 n ARG 83 Cb 0.39 -5.36 -0.06 0.00 -1.02 0.00 0.00 32.46 26.41 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 -3.06 0.85 0.04 7.54 0.00 -0.82 -4.85 120.51 120.22 1x57 n ALA 84 Ca -0.09 0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.31 1x57 n ALA 84 Cb 0.59 -2.50 -0.01 0.00 0.00 0.00 0.00 19.45 17.53 1x57 n ALA 84 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 1x57 h LYS 85 N 10.95 0.47 -7.42 0.00 1.63 -1.92 -3.46 116.57 116.83 1x57 h LYS 85 Ca -0.36 -0.42 -0.42 0.00 -0.85 0.00 0.00 60.65 58.60 1x57 h LYS 85 Cb 1.31 0.10 0.18 0.00 -0.60 0.00 0.00 32.23 33.22 1x57 h LYS 85 CO 0.99 1.06 0.16 -1.12 -3.45 0.00 0.00 179.45 177.10 1x57 s SER 86 N -7.03 1.34 -1.21 4.20 0.01 -1.26 -4.52 113.70 105.23 1x57 s SER 86 Ca -0.07 0.69 -0.26 0.00 1.31 0.00 0.00 55.95 57.63 1x57 s SER 86 Cb 0.10 -0.99 0.04 0.00 0.21 0.00 0.00 66.02 65.37 1x57 s SER 86 CO 0.86 -3.87 0.49 0.61 0.41 0.00 0.00 173.24 171.74 1x57 n GLY 87 N -1.18 -0.63 0.24 3.44 0.00 -1.26 -4.85 105.19 100.96 1x57 n GLY 87 Ca 0.12 0.28 0.16 0.00 0.00 0.00 0.00 46.02 46.58 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 -2.15 0.00 -5.82 1.61 0.13 -1.91 -3.47 132.00 120.38 1x57 h PRO 88 Ca -0.66 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.14 1x57 h PRO 88 Cb 1.31 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.46 1x57 h PRO 88 CO 0.52 0.00 -1.02 0.43 -0.23 0.00 0.00 178.00 177.70 1x57 n SER 89 N -2.80 -4.55 -4.67 1.44 7.64 -1.26 -4.96 113.62 104.45 1x57 n SER 89 Ca 0.00 -0.14 -0.35 0.00 1.01 0.00 0.00 58.87 59.39 1x57 n SER 89 Cb 0.22 -1.33 0.11 0.00 -1.01 0.00 0.00 64.21 62.20 1x57 n SER 89 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x57 n SER 90 N 0.01 1.04 0.00 6.43 7.64 -1.26 -5.32 113.62 122.15 1x57 n SER 90 Ca -0.08 0.65 0.00 0.00 1.01 0.00 0.00 58.87 60.45 1x57 n SER 90 Cb 0.58 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.29 1x57 n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64