#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 4.93 -0.29 1.61 0.15 -1.26 -5.06 113.70 113.78 1x57 s SER 2 Ca 0.00 1.75 -0.03 0.00 0.70 0.00 0.00 55.95 58.37 1x57 s SER 2 Cb 0.00 -2.51 0.10 0.00 -1.71 0.00 0.00 66.02 61.90 1x57 s SER 2 CO 0.00 -1.75 0.11 -0.44 1.20 0.00 0.00 173.24 172.37 1x57 s SER 3 N -3.49 3.73 0.27 5.45 0.01 -1.26 -5.12 113.70 113.28 1x57 s SER 3 Ca 0.60 -1.42 0.03 0.00 1.31 0.00 0.00 55.95 56.47 1x57 s SER 3 Cb -0.16 -0.59 -0.06 0.00 0.21 0.00 0.00 66.02 65.42 1x57 s SER 3 CO 0.54 -0.42 0.04 -0.83 0.41 0.00 0.00 173.24 172.98 1x57 s GLY 4 N 1.87 1.76 0.00 3.44 0.00 -1.26 -5.08 107.32 108.05 1x57 s GLY 4 Ca 0.09 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 42.93 1x57 s GLY 4 CO -0.30 -1.69 0.00 -1.26 0.00 0.00 0.00 173.10 169.85 1x57 n SER 5 N -0.51 0.00 -3.47 1.64 2.88 -1.26 -5.10 113.62 107.80 1x57 n SER 5 Ca -0.03 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.22 1x57 n SER 5 Cb 0.65 0.02 0.02 0.00 -0.75 0.00 0.00 64.21 64.15 1x57 n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x57 n SER 6 N -1.54 -4.64 -3.45 -3.46 7.64 -1.26 -5.01 113.62 101.91 1x57 n SER 6 Ca 0.00 -0.50 -0.21 0.00 1.01 0.00 0.00 58.87 59.16 1x57 n SER 6 Cb 0.00 -1.43 -0.08 0.00 -1.01 0.00 0.00 64.21 61.69 1x57 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x57 s GLY 7 N -2.06 2.46 -0.05 0.23 0.00 -1.26 -5.18 107.32 101.46 1x57 s GLY 7 Ca 0.19 -1.91 -0.10 0.00 0.00 0.00 0.00 44.72 42.89 1x57 s GLY 7 CO 0.80 -1.55 0.25 -0.35 0.00 0.00 0.00 173.10 172.25 1x57 s ASP 8 N -3.44 -0.17 -0.18 1.64 -1.08 -1.26 -5.17 116.67 107.01 1x57 s ASP 8 Ca 0.37 0.21 -0.33 0.00 -0.52 0.00 0.00 52.55 52.28 1x57 s ASP 8 Cb 0.02 0.39 0.14 0.00 -1.46 0.00 0.00 42.92 42.01 1x57 s ASP 8 CO 0.26 -0.27 1.17 -0.60 0.52 0.00 0.00 175.17 176.24 1x57 s ARG 9 N -0.71 0.37 0.89 4.34 3.52 -1.26 -5.16 118.95 120.95 1x57 s ARG 9 Ca -0.08 -0.07 -0.11 0.00 -0.13 0.00 0.00 55.73 55.35 1x57 s ARG 9 Cb -0.04 0.17 0.13 0.00 -1.56 0.00 0.00 34.95 33.64 1x57 s ARG 9 CO 0.02 -0.15 1.10 0.54 -0.81 0.00 0.00 175.30 176.00 1x57 s VAL 10 N -2.02 2.62 0.25 7.11 0.11 -1.26 -5.10 120.40 122.11 1x57 s VAL 10 Ca 0.07 0.20 0.01 0.00 -2.93 0.00 0.00 61.98 59.33 1x57 s VAL 10 Cb -0.01 -2.50 -0.05 0.00 -1.53 0.00 0.00 36.38 32.29 1x57 s VAL 10 CO -0.05 -0.26 0.10 0.28 -3.33 0.00 0.00 175.10 171.84 1x57 s THR 11 N -2.79 0.49 0.88 5.04 -1.32 -1.26 -4.96 115.64 111.72 1x57 s THR 11 Ca 0.64 -2.00 -0.11 0.00 -1.21 0.00 0.00 61.69 59.01 1x57 s THR 11 Cb -0.20 -2.60 0.12 0.00 -1.51 0.00 0.00 72.50 68.32 1x57 s THR 11 CO 0.58 -0.02 1.09 -0.76 -2.21 0.00 0.00 174.62 173.30 1x57 s LEU 12 N -3.29 2.47 0.26 9.08 1.02 -1.26 -4.82 118.68 122.14 1x57 s LEU 12 Ca 0.37 1.68 -0.04 0.00 0.02 0.00 0.00 54.13 56.17 1x57 s LEU 12 Cb 0.08 -4.15 0.35 0.00 0.02 0.00 0.00 46.19 42.49 1x57 s LEU 12 CO 0.13 -2.63 1.90 -0.33 0.02 0.00 0.00 176.35 175.44 1x57 h GLU 13 N -1.54 1.19 0.54 1.70 3.07 -1.99 -1.05 114.58 116.51 1x57 h GLU 13 Ca -0.48 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.30 1x57 h GLU 13 Cb 1.27 -0.27 -0.01 0.00 -0.84 0.00 0.00 28.75 28.90 1x57 h GLU 13 CO 0.52 0.79 -0.43 0.28 -1.40 0.00 0.00 179.01 178.77 1x57 h VAL 14 N 1.23 0.15 -0.91 3.13 2.07 -1.92 0.13 116.25 120.12 1x57 h VAL 14 Ca 0.41 0.00 0.08 0.00 0.82 0.00 0.00 66.70 68.01 1x57 h VAL 14 Cb 0.06 0.15 -0.06 0.00 -1.52 0.00 0.00 31.29 29.91 1x57 h VAL 14 CO -0.14 0.00 0.59 1.23 0.02 0.00 0.00 177.57 179.27 1x57 h GLY 15 N -0.95 1.35 0.91 2.17 0.00 -1.50 0.17 103.07 105.23 1x57 h GLY 15 Ca -0.06 -0.40 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1x57 h GLY 15 CO 0.00 0.25 -0.41 1.70 0.00 0.00 0.00 176.54 178.08 1x57 h LYS 16 N 0.98 -1.10 -0.70 4.80 1.63 -0.87 -1.39 116.57 119.91 1x57 h LYS 16 Ca 0.41 0.08 -0.01 0.00 -0.85 0.00 0.00 60.65 60.27 1x57 h LYS 16 Cb 0.31 0.25 -0.03 0.00 -0.60 0.00 0.00 32.23 32.16 1x57 h LYS 16 CO -0.17 -0.73 0.38 0.28 -3.45 0.00 0.00 179.45 175.76 1x57 h VAL 17 N -1.25 1.21 0.05 2.00 2.07 -0.35 0.83 116.25 120.81 1x57 h VAL 17 Ca -0.12 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 1x57 h VAL 17 Cb 0.88 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1x57 h VAL 17 CO 0.19 0.23 -0.07 0.40 0.02 0.00 0.00 177.57 178.35 1x57 h ILE 18 N 0.97 0.00 -0.50 4.57 2.04 -0.70 -1.96 117.51 121.93 1x57 h ILE 18 Ca 0.25 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.15 1x57 h ILE 18 Cb 0.03 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.08 1x57 h ILE 18 CO -0.04 0.00 0.34 -0.61 0.00 0.00 0.00 178.15 177.84 1x57 h GLN 19 N -0.12 0.50 0.02 2.37 4.15 -0.54 0.17 115.11 121.66 1x57 h GLN 19 Ca -0.01 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.38 1x57 h GLN 19 Cb 0.11 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.69 1x57 h GLN 19 CO -0.02 0.33 -0.02 1.96 -1.93 0.00 0.00 178.83 179.15 1x57 h GLN 20 N 0.51 -0.03 -0.09 1.69 1.08 -0.82 -1.36 115.11 116.08 1x57 h GLN 20 Ca 0.21 0.00 -0.11 0.00 -1.45 0.00 0.00 58.65 57.31 1x57 h GLN 20 Cb 0.19 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.62 1x57 h GLN 20 CO -0.06 -0.02 -0.42 0.78 -0.95 0.00 0.00 178.83 178.17 1x57 h GLY 21 N -0.04 0.22 0.38 3.46 0.00 -0.87 -0.72 103.07 105.50 1x57 h GLY 21 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1x57 h GLY 21 CO 0.00 0.19 -0.41 -0.09 0.00 0.00 0.00 176.54 176.23 1x57 h ARG 22 N 0.17 -0.77 -0.66 4.80 2.43 -0.76 -1.81 114.38 117.78 1x57 h ARG 22 Ca 0.01 0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1x57 h ARG 22 Cb 0.81 0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.51 1x57 h ARG 22 CO 0.06 -0.51 0.24 1.96 -1.51 0.00 0.00 179.97 180.21 1x57 h GLN 23 N -0.80 0.99 0.00 0.20 1.08 -0.94 0.48 115.11 116.13 1x57 h GLN 23 Ca -0.05 -0.18 0.00 0.00 -1.45 0.00 0.00 58.65 56.97 1x57 h GLN 23 Cb 0.70 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 1x57 h GLN 23 CO -0.07 0.83 0.00 0.43 -0.95 0.00 0.00 178.83 179.07 1x57 n SER 24 N -4.29 0.00 -0.36 1.46 7.64 -0.30 -0.87 113.62 116.91 1x57 n SER 24 Ca 0.06 -0.51 0.05 0.00 1.01 0.00 0.00 58.87 59.47 1x57 n SER 24 Cb 0.19 -0.12 0.11 0.00 -1.01 0.00 0.00 64.21 63.39 1x57 n SER 24 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1x57 n LYS 25 N -1.12 2.70 -0.91 1.43 5.02 -0.69 -5.00 118.16 119.59 1x57 n LYS 25 Ca 0.16 -2.04 0.00 0.00 -2.02 0.00 0.00 58.31 54.42 1x57 n LYS 25 Cb 0.13 -1.28 0.00 0.00 -0.02 0.00 0.00 35.03 33.86 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 -0.29 0.62 3.71 0.72 0.00 -0.05 -4.97 105.19 104.95 1x57 n GLY 26 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 4.37 1.06 0.99 1.43 0.11 -4.92 118.68 121.72 1x57 s LEU 27 Ca 0.00 2.09 -0.13 0.00 -1.03 0.00 0.00 54.13 55.06 1x57 s LEU 27 Cb 0.00 -3.58 0.22 0.00 0.03 0.00 0.00 46.19 42.86 1x57 s LEU 27 CO 0.00 -0.51 1.08 0.42 0.23 0.00 0.00 176.35 177.57 1x57 s THR 28 N 1.03 1.96 0.48 5.49 -4.23 -1.26 -4.48 115.64 114.63 1x57 s THR 28 Ca 0.60 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 61.26 1x57 s THR 28 Cb -0.31 -2.43 0.23 0.00 1.34 0.00 0.00 72.50 71.33 1x57 s THR 28 CO 0.30 0.00 2.07 1.56 -0.54 0.00 0.00 174.62 178.01 1x57 h GLN 29 N -2.12 0.01 -0.27 3.99 4.20 -1.95 -1.86 115.11 117.11 1x57 h GLN 29 Ca -0.55 -0.00 -0.18 0.00 0.06 0.00 0.00 58.65 57.98 1x57 h GLN 29 Cb 1.33 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.11 1x57 h GLN 29 CO 0.55 0.10 -0.55 0.87 -0.67 0.00 0.00 178.83 179.13 1x57 h LYS 30 N 0.01 0.81 -0.09 1.46 1.57 -1.92 -1.30 116.57 117.12 1x57 h LYS 30 Ca 0.00 -0.51 -0.01 0.00 -1.87 0.00 0.00 60.65 58.26 1x57 h LYS 30 Cb 0.15 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 1x57 h LYS 30 CO 0.01 1.14 0.02 -0.44 -0.57 0.00 0.00 179.45 179.61 1x57 h ASP 31 N 0.62 0.14 -0.38 0.86 5.19 -1.82 0.09 116.42 121.11 1x57 h ASP 31 Ca 0.01 -0.23 0.05 0.00 -0.62 0.00 0.00 57.03 56.24 1x57 h ASP 31 Cb 1.14 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 40.57 1x57 h ASP 31 CO 0.12 0.33 0.12 0.25 -3.12 0.00 0.00 179.24 176.94 1x57 h LEU 32 N -0.07 0.10 -0.04 1.55 7.12 -1.39 -0.08 115.31 122.50 1x57 h LEU 32 Ca 0.03 0.05 0.01 0.00 0.13 0.00 0.00 57.88 58.10 1x57 h LEU 32 Cb 0.25 0.05 -0.01 0.00 -0.53 0.00 0.00 40.66 40.41 1x57 h LEU 32 CO 0.00 0.09 -0.04 0.00 -0.13 0.00 0.00 178.44 178.37 1x57 h ALA 33 N 1.26 -0.00 -0.42 1.25 0.00 -1.04 -2.63 119.26 117.68 1x57 h ALA 33 Ca 0.18 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1x57 h ALA 33 Cb 0.17 0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1x57 h ALA 33 CO -0.20 -0.52 0.10 1.15 0.00 0.00 0.00 179.25 179.78 1x57 h THR 34 N -0.05 0.80 0.00 0.00 2.02 -0.64 -0.55 112.91 114.49 1x57 h THR 34 Ca 0.03 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1x57 h THR 34 Cb 0.09 0.54 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 1x57 h THR 34 CO -0.07 0.04 0.00 0.11 0.37 0.00 0.00 175.52 175.97 1x57 h LYS 35 N 0.24 0.00 0.00 6.66 1.57 -0.67 -0.60 116.57 123.77 1x57 h LYS 35 Ca 0.20 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 1x57 h LYS 35 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1x57 h LYS 35 CO -0.25 0.00 -0.03 0.44 -0.57 0.00 0.00 179.45 179.04 1x57 n ILE 36 N -2.36 1.31 -1.08 1.86 -5.35 -0.61 -4.80 119.36 108.33 1x57 n ILE 36 Ca -0.02 -1.49 -0.06 0.00 -0.27 0.00 0.00 62.75 60.92 1x57 n ILE 36 Cb 0.04 0.17 -0.02 0.00 -1.74 0.00 0.00 39.64 38.09 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 -0.89 -5.13 -2.26 7.28 5.15 -0.23 -4.94 115.26 114.24 1x57 n ASN 37 Ca 0.08 0.14 -0.02 0.00 -0.60 0.00 0.00 54.58 54.18 1x57 n ASN 37 Cb 0.48 -3.51 0.00 0.00 -0.53 0.00 0.00 39.78 36.22 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 1.30 -3.98 1.20 2.13 -0.36 -4.95 120.64 115.88 1x57 n GLU 38 Ca -0.06 -0.30 -0.31 0.00 0.66 0.00 0.00 57.16 57.15 1x57 n GLU 38 Cb 0.49 0.02 -0.05 0.00 0.27 0.00 0.00 31.44 32.17 1x57 n GLU 38 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1x57 s LYS 39 N -2.21 3.19 0.22 5.31 -0.14 -1.26 -4.22 119.74 120.63 1x57 s LYS 39 Ca 0.03 -0.54 0.22 0.00 -1.36 0.00 0.00 55.97 54.32 1x57 s LYS 39 Cb -0.00 -2.90 0.93 0.00 -1.68 0.00 0.00 37.83 34.17 1x57 s LYS 39 CO 0.02 0.60 1.67 -0.35 -0.76 0.00 0.00 175.35 176.53 1x57 n PRO 40 N 0.43 0.17 0.29 -1.68 -0.04 -1.26 -1.94 135.00 130.95 1x57 n PRO 40 Ca -0.07 0.40 -0.18 0.00 -0.04 0.00 0.00 63.50 63.61 1x57 n PRO 40 Cb 0.51 -1.82 -0.10 0.00 -0.04 0.00 0.00 33.50 32.05 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 -0.96 -0.86 0.54 5.75 -1.95 -2.77 115.11 114.86 1x57 h GLN 41 Ca 0.00 0.07 -0.00 0.00 -0.15 0.00 0.00 58.65 58.56 1x57 h GLN 41 Cb 0.34 0.22 -0.04 0.00 1.07 0.00 0.00 27.48 29.07 1x57 h GLN 41 CO 0.00 -0.64 0.53 -0.39 -2.65 0.00 0.00 178.83 175.68 1x57 h VAL 42 N -1.00 1.24 -0.48 2.39 -1.51 -1.81 -2.09 116.25 112.98 1x57 h VAL 42 Ca -0.06 -0.50 0.08 0.00 -1.23 0.00 0.00 66.70 64.99 1x57 h VAL 42 Cb 0.87 0.01 -0.06 0.00 -2.13 0.00 0.00 31.29 29.98 1x57 h VAL 42 CO -0.07 0.24 0.12 0.40 -1.23 0.00 0.00 177.57 177.03 1x57 h ILE 43 N 1.18 0.76 -0.63 7.19 1.08 -1.54 0.29 117.51 125.85 1x57 h ILE 43 Ca 0.31 -0.09 0.03 0.00 -0.39 0.00 0.00 64.86 64.72 1x57 h ILE 43 Cb -0.07 0.47 -0.04 0.00 -3.07 0.00 0.00 36.82 34.12 1x57 h ILE 43 CO -0.06 0.05 0.42 0.00 -0.69 0.00 0.00 178.15 177.86 1x57 h ALA 44 N 1.36 1.67 0.17 1.87 0.00 -1.09 -1.21 119.26 122.03 1x57 h ALA 44 Ca 0.24 -0.03 -0.30 0.00 0.00 0.00 0.00 54.91 54.81 1x57 h ALA 44 Cb 0.30 -0.21 0.03 0.00 0.00 0.00 0.00 17.79 17.91 1x57 h ALA 44 CO -0.29 0.26 -1.33 -0.44 0.00 0.00 0.00 179.25 177.45 1x57 h ASP 45 N 0.74 0.73 -0.98 0.00 3.32 -0.45 -2.83 116.42 116.94 1x57 h ASP 45 Ca 0.25 -0.73 0.04 0.00 0.02 0.00 0.00 57.03 56.61 1x57 h ASP 45 Cb 0.09 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 39.35 1x57 h ASP 45 CO -0.07 1.56 0.64 1.88 -1.72 0.00 0.00 179.24 181.54 1x57 h TYR 46 N 0.17 1.20 -0.11 4.55 0.05 -0.34 0.12 116.97 122.60 1x57 h TYR 46 Ca -0.20 0.03 -0.13 0.00 0.05 0.00 0.00 58.73 58.49 1x57 h TYR 46 Cb 2.02 -0.40 -0.01 0.00 1.01 0.00 0.00 36.73 39.35 1x57 h TYR 46 CO 0.10 0.67 -0.48 0.93 -1.05 0.00 0.00 178.16 178.34 1x57 h GLU 47 N 1.22 0.29 0.00 4.88 5.08 -1.18 -1.56 114.58 123.32 1x57 h GLU 47 Ca 0.40 -0.16 -0.14 0.00 -1.00 0.00 0.00 59.36 58.46 1x57 h GLU 47 Cb 0.04 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 1x57 h GLU 47 CO -0.13 0.71 -0.66 1.03 -1.00 0.00 0.00 179.01 178.96 1x57 h SER 48 N 0.23 0.00 0.00 1.42 0.87 -1.31 -3.42 113.55 111.35 1x57 h SER 48 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1x57 h SER 48 Cb 0.93 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.89 1x57 h SER 48 CO 0.08 0.66 0.00 0.61 -0.53 0.00 0.00 176.83 177.64 1x57 n GLY 49 N 0.46 0.96 0.39 5.77 0.00 -0.31 -4.32 105.19 108.14 1x57 n GLY 49 Ca -0.01 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.86 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 3.46 -0.92 -6.87 1.61 2.47 -1.07 -3.46 114.38 109.61 1x57 h ARG 50 Ca 0.00 0.06 -0.56 0.00 -1.26 0.00 0.00 59.98 58.23 1x57 h ARG 50 Cb 0.00 0.21 0.12 0.00 -1.65 0.00 0.00 29.97 28.65 1x57 h ARG 50 CO 0.00 -0.61 0.61 0.00 0.56 0.00 0.00 179.97 180.53 1x57 n ALA 51 N -2.64 1.73 -2.39 0.04 0.00 -1.11 -4.92 120.51 111.22 1x57 n ALA 51 Ca -0.12 0.31 -0.42 0.00 0.00 0.00 0.00 53.44 53.20 1x57 n ALA 51 Cb 0.38 -2.33 -0.03 0.00 0.00 0.00 0.00 19.45 17.47 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 -1.15 4.12 -0.19 0.00 1.09 -1.26 -4.74 121.20 119.07 1x57 s ILE 52 Ca 0.57 1.44 -0.29 0.00 -1.10 0.00 0.00 60.65 61.28 1x57 s ILE 52 Cb -0.50 -3.93 -0.04 0.00 -1.06 0.00 0.00 42.46 36.93 1x57 s ILE 52 CO 0.61 -0.03 1.74 -2.84 -0.10 0.00 0.00 174.94 174.32 1x57 s PRO 53 N 2.57 3.74 -0.30 2.79 0.02 -1.26 -4.97 135.00 137.59 1x57 s PRO 53 Ca 0.58 1.83 -0.10 0.00 0.02 0.00 0.00 61.00 63.33 1x57 s PRO 53 Cb -0.26 -4.10 -0.02 0.00 0.02 0.00 0.00 34.50 30.15 1x57 s PRO 53 CO 0.22 -1.37 0.15 1.21 -0.33 0.00 0.00 177.00 176.88 1x57 s ASN 54 N 4.82 5.55 0.34 2.53 2.47 -1.26 -5.01 114.94 124.40 1x57 s ASN 54 Ca 0.78 -0.41 0.13 0.00 0.42 0.00 0.00 52.86 53.78 1x57 s ASN 54 Cb -0.28 -2.01 1.00 0.00 -1.45 0.00 0.00 41.25 38.51 1x57 s ASN 54 CO 0.32 -0.15 1.71 -1.13 -3.72 0.00 0.00 177.10 174.13 1x57 h ASN 55 N 8.34 0.58 0.26 -4.21 -1.24 -1.98 0.01 115.58 117.33 1x57 h ASN 55 Ca -0.33 0.14 -0.01 0.00 0.71 0.00 0.00 56.30 56.81 1x57 h ASN 55 Cb 1.16 0.06 0.00 0.00 0.73 0.00 0.00 38.32 40.27 1x57 h ASN 55 CO 0.60 0.02 -0.12 -0.61 -1.29 0.00 0.00 177.43 176.03 1x57 h GLN 56 N 0.46 -0.33 -0.53 6.67 4.15 -2.00 -1.11 115.11 122.43 1x57 h GLN 56 Ca 0.67 0.02 -0.04 0.00 0.77 0.00 0.00 58.65 60.08 1x57 h GLN 56 Cb 1.45 0.08 -0.02 0.00 0.21 0.00 0.00 27.48 29.20 1x57 h GLN 56 CO -0.48 -0.11 0.19 0.28 -1.93 0.00 0.00 178.83 176.77 1x57 h VAL 57 N -0.50 1.23 -0.39 2.39 2.07 -1.72 -2.61 116.25 116.71 1x57 h VAL 57 Ca -0.04 -0.73 0.07 0.00 0.82 0.00 0.00 66.70 66.82 1x57 h VAL 57 Cb 0.37 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.80 1x57 h VAL 57 CO 0.06 0.27 0.00 -0.07 0.02 0.00 0.00 177.57 177.85 1x57 h LEU 58 N 0.72 -0.16 -1.56 2.57 3.38 -0.96 0.63 115.31 119.92 1x57 h LEU 58 Ca 0.17 0.09 0.07 0.00 0.09 0.00 0.00 57.88 58.30 1x57 h LEU 58 Cb 0.24 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1x57 h LEU 58 CO -0.01 -0.04 0.39 1.23 0.09 0.00 0.00 178.44 180.10 1x57 h GLY 59 N 0.10 0.67 0.82 0.83 0.00 -0.88 0.13 103.07 104.74 1x57 h GLY 59 Ca 0.19 -0.21 -0.09 0.00 0.00 0.00 0.00 47.33 47.22 1x57 h GLY 59 CO -0.32 0.16 -0.24 0.50 0.00 0.00 0.00 176.54 176.63 1x57 h LYS 60 N 0.53 0.47 -0.56 4.80 1.57 -0.78 -3.14 116.57 119.46 1x57 h LYS 60 Ca 0.26 -0.27 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1x57 h LYS 60 Cb 0.33 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.63 1x57 h LYS 60 CO -0.07 0.86 0.37 0.82 -0.57 0.00 0.00 179.45 180.86 1x57 h ILE 61 N 0.12 1.12 -0.16 1.86 2.04 0.03 -2.45 117.51 120.07 1x57 h ILE 61 Ca 0.02 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 65.68 1x57 h ILE 61 Cb 0.81 0.33 -0.05 0.00 -0.74 0.00 0.00 36.82 37.17 1x57 h ILE 61 CO 0.06 0.13 -0.15 -0.33 0.00 0.00 0.00 178.15 177.86 1x57 h GLU 62 N 0.73 -0.17 0.00 2.37 5.08 -0.96 -0.49 114.58 121.15 1x57 h GLU 62 Ca 0.21 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 1x57 h GLU 62 Cb -0.03 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1x57 h GLU 62 CO -0.05 -0.11 0.00 0.54 -1.00 0.00 0.00 179.01 178.39 1x57 n ARG 63 N -5.30 0.09 0.02 2.33 1.74 -0.96 0.09 116.66 114.68 1x57 n ARG 63 Ca -0.02 0.17 -0.16 0.00 -0.77 0.00 0.00 57.85 57.07 1x57 n ARG 63 Cb 0.22 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.10 1x57 n ARG 63 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x57 h ALA 64 N 2.69 0.33 0.00 7.54 0.00 -0.70 -3.39 119.26 125.72 1x57 h ALA 64 Ca 0.00 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.27 1x57 h ALA 64 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1x57 h ALA 64 CO 0.00 0.72 -0.05 0.44 0.00 0.00 0.00 179.25 180.36 1x57 n ILE 65 N -3.87 0.00 -2.60 0.00 -5.35 -0.94 -4.96 119.36 101.63 1x57 n ILE 65 Ca -0.08 -0.47 -0.14 0.00 -0.27 0.00 0.00 62.75 61.79 1x57 n ILE 65 Cb 0.78 0.97 0.01 0.00 -1.74 0.00 0.00 39.64 39.67 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 1.06 -0.12 3.37 3.28 0.00 0.11 -4.87 105.19 108.02 1x57 n GLY 66 Ca 0.00 -0.23 -0.19 0.00 0.00 0.00 0.00 46.02 45.60 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 -4.29 2.34 0.26 0.99 1.43 -1.20 -2.60 118.68 115.62 1x57 s LEU 67 Ca 0.14 -1.19 -0.29 0.00 -1.03 0.00 0.00 54.13 51.75 1x57 s LEU 67 Cb -0.06 -0.44 -0.09 0.00 0.03 0.00 0.00 46.19 45.63 1x57 s LEU 67 CO 0.17 -0.42 0.97 -0.54 0.23 0.00 0.00 176.35 176.76 1x57 s LYS 68 N -3.80 4.77 0.00 1.70 1.02 0.97 -4.38 119.74 120.02 1x57 s LYS 68 Ca 0.28 1.53 0.00 0.00 0.02 0.00 0.00 55.97 57.80 1x57 s LYS 68 Cb 0.05 -3.19 0.00 0.00 -0.52 0.00 0.00 37.83 34.17 1x57 s LYS 68 CO 0.09 0.42 0.39 1.28 -0.92 0.00 0.00 175.35 176.61 1x57 n LEU 69 N 1.28 0.78 -4.18 3.17 7.99 -1.26 -1.28 117.00 123.51 1x57 n LEU 69 Ca -0.01 -0.89 -0.12 0.00 -0.01 0.00 0.00 56.01 54.98 1x57 n LEU 69 Cb 0.47 0.00 -0.10 0.00 -0.11 0.00 0.00 43.42 43.68 1x57 n LEU 69 CO 0.50 0.20 -0.21 -0.13 -1.51 0.00 0.00 177.39 176.24 1x57 s ARG 70 N -0.22 1.21 0.10 3.23 0.52 -1.26 -4.83 118.95 117.71 1x57 s ARG 70 Ca 0.00 -1.58 0.00 0.00 -0.52 0.00 0.00 55.73 53.63 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 -0.40 0.00 0.41 0.02 0.00 0.00 175.30 175.33 1x57 n GLY 71 N -0.27 -2.45 0.00 -3.53 0.00 -1.26 -4.14 105.19 93.54 1x57 n GLY 71 Ca 0.01 -1.40 0.10 0.00 0.00 0.00 0.00 46.02 44.73 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 -2.60 0.90 -0.84 1.61 4.81 -1.26 -2.69 118.16 118.09 1x57 n LYS 72 Ca -0.01 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.41 1x57 n LYS 72 Cb 0.12 -1.34 0.28 0.00 0.02 0.00 0.00 35.03 34.11 1x57 n LYS 72 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1x57 n ASP 73 N -0.84 4.57 -4.54 3.14 8.00 -1.26 -5.02 116.55 120.60 1x57 n ASP 73 Ca 0.15 -2.96 -0.37 0.00 0.71 0.00 0.00 54.79 52.32 1x57 n ASP 73 Cb 0.07 -0.70 0.06 0.00 -0.02 0.00 0.00 41.12 40.53 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 0.09 2.61 -0.33 0.53 3.06 -1.10 -2.46 119.36 121.77 1x57 n ILE 74 Ca 0.32 -0.44 0.00 0.00 -2.50 0.00 0.00 62.75 60.13 1x57 n ILE 74 Cb 1.19 -0.91 0.00 0.00 0.54 0.00 0.00 39.64 40.46 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 1.46 1.42 3.80 4.50 0.00 -0.40 -4.94 105.19 111.03 1x57 n GLY 75 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.14 3.81 0.70 1.61 -0.14 -1.03 -4.77 119.74 119.78 1x57 s LYS 76 Ca 0.00 1.27 -0.13 0.00 -1.36 0.00 0.00 55.97 55.75 1x57 s LYS 76 Cb 0.00 -2.10 0.02 0.00 -1.68 0.00 0.00 37.83 34.07 1x57 s LYS 76 CO 0.00 -0.41 1.10 -1.25 -0.76 0.00 0.00 175.35 174.03 1x57 s PRO 77 N -3.40 2.59 0.04 -1.68 0.04 -1.26 -0.02 135.00 131.31 1x57 s PRO 77 Ca 0.65 1.29 -0.00 0.00 0.04 0.00 0.00 61.00 62.98 1x57 s PRO 77 Cb -0.15 -1.93 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1x57 s PRO 77 CO 0.22 -1.40 0.17 0.96 0.04 0.00 0.00 177.00 176.99 1x57 s ILE 78 N -2.59 5.18 -0.67 0.56 -4.36 -1.07 -4.64 121.20 113.61 1x57 s ILE 78 Ca 0.64 -0.39 -0.03 0.00 -0.26 0.00 0.00 60.65 60.61 1x57 s ILE 78 Cb -0.19 -3.47 0.00 0.00 1.25 0.00 0.00 42.46 40.05 1x57 s ILE 78 CO 0.48 0.21 0.47 -0.62 0.24 0.00 0.00 174.94 175.72 1x57 n GLU 79 N 0.60 -1.10 -4.68 0.37 1.02 -1.26 -4.92 120.64 110.67 1x57 n GLU 79 Ca -0.08 0.50 -0.30 0.00 -0.02 0.00 0.00 57.16 57.25 1x57 n GLU 79 Cb 0.52 -1.70 -0.09 0.00 -0.02 0.00 0.00 31.44 30.15 1x57 n GLU 79 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1x57 s LYS 80 N -4.61 2.06 1.15 3.49 -2.85 -1.26 -5.15 119.74 112.57 1x57 s LYS 80 Ca 0.04 -2.24 -0.14 0.00 -1.00 0.00 0.00 55.97 52.63 1x57 s LYS 80 Cb -0.02 -1.52 0.23 0.00 -2.06 0.00 0.00 37.83 34.46 1x57 s LYS 80 CO 0.70 -0.22 0.72 0.41 0.10 0.00 0.00 175.35 177.07 1x57 n GLY 81 N -1.10 -2.10 3.79 0.59 0.00 -1.26 -4.98 105.19 100.14 1x57 n GLY 81 Ca -0.12 -1.04 -0.32 0.00 0.00 0.00 0.00 46.02 44.54 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 -4.12 2.86 0.00 1.61 0.04 -1.26 -4.96 135.00 129.17 1x57 s PRO 82 Ca 0.65 1.20 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1x57 s PRO 82 Cb -0.22 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1x57 s PRO 82 CO 0.65 -1.18 0.10 -2.13 0.04 0.00 0.00 177.00 174.49 1x57 n ARG 83 N -2.69 0.00 -3.42 4.56 0.00 -1.26 -5.14 116.66 108.72 1x57 n ARG 83 Ca 0.09 -0.10 -0.01 0.00 -0.00 0.00 0.00 57.85 57.83 1x57 n ARG 83 Cb 0.53 -0.17 0.01 0.00 0.00 0.00 0.00 32.46 32.83 1x57 n ARG 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1x57 n ALA 84 N 0.00 -2.38 -3.00 5.13 0.00 -1.26 -5.20 120.51 113.80 1x57 n ALA 84 Ca 0.00 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.70 1x57 n ALA 84 Cb 0.40 0.33 0.00 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.63 0.00 -1.37 0.00 2.85 -1.26 -5.17 118.16 112.58 1x57 n LYS 85 Ca 0.00 0.00 0.19 0.00 -1.05 0.00 0.00 58.31 57.45 1x57 n LYS 85 Cb 0.46 0.00 -0.05 0.00 -0.65 0.00 0.00 35.03 34.79 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 -0.60 -8.15 -4.11 -5.58 7.64 -1.26 -5.01 113.62 96.56 1x57 n SER 86 Ca 0.00 0.60 -0.26 0.00 1.01 0.00 0.00 58.87 60.22 1x57 n SER 86 Cb 0.00 -4.18 -0.08 0.00 -1.01 0.00 0.00 64.21 58.94 1x57 n SER 86 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x57 s GLY 87 N -6.92 2.66 0.15 0.23 0.00 -1.26 -5.06 107.32 97.11 1x57 s GLY 87 Ca 0.00 -1.19 -0.03 0.00 0.00 0.00 0.00 44.72 43.50 1x57 s GLY 87 CO 0.00 -1.84 1.35 -0.56 0.00 0.00 0.00 173.10 172.05 1x57 h PRO 88 N 1.76 0.39 -3.22 2.90 0.13 -2.06 -3.50 132.00 128.40 1x57 h PRO 88 Ca -0.35 -0.39 0.33 0.00 -0.87 0.00 0.00 66.00 64.72 1x57 h PRO 88 Cb 1.28 0.10 -0.15 0.00 0.13 0.00 0.00 31.00 32.36 1x57 h PRO 88 CO 0.56 1.05 -0.94 0.43 -0.23 0.00 0.00 178.00 178.88 1x57 n SER 89 N -3.77 -7.67 0.00 1.44 7.64 -1.26 -5.05 113.62 104.96 1x57 n SER 89 Ca -0.06 1.07 0.00 0.00 1.01 0.00 0.00 58.87 60.89 1x57 n SER 89 Cb 0.79 -4.51 0.00 0.00 -1.01 0.00 0.00 64.21 59.48 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 -4.30 0.00 0.00 6.43 7.64 -1.26 -5.34 113.62 116.79 1x57 n SER 90 Ca -0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.83 1x57 n SER 90 Cb 0.66 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 1x57 n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64