#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x37 n GLY 2 N 0.00 0.18 3.74 0.00 0.00 -1.26 -5.13 105.19 102.71 1x37 n GLY 2 Ca 0.00 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 1x37 n GLY 2 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1x37 s TYR 3 N 0.07 3.79 0.28 1.61 -0.85 -1.26 -5.04 117.35 115.96 1x37 s TYR 3 Ca 0.07 1.78 0.01 0.00 -0.52 0.00 0.00 57.07 58.40 1x37 s TYR 3 Cb 0.19 -3.11 0.01 0.00 0.38 0.00 0.00 41.96 39.43 1x37 s TYR 3 CO -0.05 0.02 0.05 0.25 -1.52 0.00 0.00 175.55 174.30 1x37 n THR 4 N 2.20 0.00 -0.22 -3.49 -2.24 -1.26 -4.95 114.28 104.32 1x37 n THR 4 Ca 0.01 -1.29 0.02 0.00 -2.27 0.00 0.00 64.05 60.52 1x37 n THR 4 Cb 0.47 0.15 0.13 0.00 -2.10 0.00 0.00 70.33 68.98 1x37 n THR 4 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1x37 h GLU 5 N 0.00 0.18 0.12 -0.78 4.39 -1.99 -1.43 114.58 115.07 1x37 h GLU 5 Ca -0.22 -0.01 0.02 0.00 0.34 0.00 0.00 59.36 59.48 1x37 h GLU 5 Cb 0.70 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.26 1x37 h GLU 5 CO 0.37 0.12 -0.47 0.82 -1.16 0.00 0.00 179.01 178.69 1x37 h ILE 6 N 0.19 0.08 -0.35 3.13 2.04 -2.00 -1.54 117.51 119.06 1x37 h ILE 6 Ca 0.35 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.28 1x37 h ILE 6 Cb 0.58 0.08 -0.08 0.00 -0.74 0.00 0.00 36.82 36.65 1x37 h ILE 6 CO -0.50 0.00 -0.44 -0.33 0.00 0.00 0.00 178.15 176.88 1x37 h GLU 7 N -0.70 -0.35 -0.93 2.37 3.07 -1.67 0.23 114.58 116.60 1x37 h GLU 7 Ca 0.01 0.02 0.28 0.00 -0.50 0.00 0.00 59.36 59.17 1x37 h GLU 7 Cb 0.72 0.08 -0.15 0.00 -0.84 0.00 0.00 28.75 28.56 1x37 h GLU 7 CO -0.27 -0.24 0.31 0.87 -1.40 0.00 0.00 179.01 178.29 1x37 h LYS 8 N -0.37 0.19 -0.31 2.33 1.57 -0.74 0.53 116.57 119.76 1x37 h LYS 8 Ca 0.12 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.80 1x37 h LYS 8 Cb 0.59 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1x37 h LYS 8 CO -0.54 0.12 -0.15 -0.07 -0.57 0.00 0.00 179.45 178.24 1x37 h LEU 9 N 0.19 0.67 -0.17 2.94 3.38 0.35 0.20 115.31 122.88 1x37 h LEU 9 Ca 0.63 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 58.21 1x37 h LEU 9 Cb 1.36 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.91 1x37 h LEU 9 CO -0.69 0.93 0.05 -0.33 0.09 0.00 0.00 178.44 178.50 1x37 h GLU 10 N 0.41 0.13 0.09 1.13 4.39 0.19 -1.47 114.58 119.45 1x37 h GLU 10 Ca 0.07 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.76 1x37 h GLU 10 Cb 0.68 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1x37 h GLU 10 CO 0.05 0.09 -0.04 -0.84 -1.16 0.00 0.00 179.01 177.10 1x37 h ILE 11 N 0.13 0.00 -1.09 3.13 3.07 -0.83 -0.63 117.51 121.30 1x37 h ILE 11 Ca 0.07 -0.39 0.43 0.00 1.55 0.00 0.00 64.86 66.51 1x37 h ILE 11 Cb 0.05 0.00 -0.16 0.00 -0.27 0.00 0.00 36.82 36.43 1x37 h ILE 11 CO -0.08 0.00 0.63 0.52 -1.05 0.00 0.00 178.15 178.17 1x37 n VAL 12 N -3.41 -0.36 -0.07 0.16 0.31 0.70 -0.14 118.33 115.52 1x37 n VAL 12 Ca -0.01 1.90 -0.14 0.00 -0.01 0.00 0.00 64.34 66.08 1x37 n VAL 12 Cb 0.05 -3.10 -0.11 0.00 -0.91 0.00 0.00 33.84 29.76 1x37 n VAL 12 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1x37 h LYS 13 N 0.00 0.00 0.00 5.55 3.11 -1.35 -3.17 116.57 120.72 1x37 h LYS 13 Ca 0.84 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.68 1x37 h LYS 13 Cb 2.36 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.59 1x37 h LYS 13 CO -0.66 0.90 0.00 -3.47 -2.81 0.00 0.00 179.45 173.41 1x37 n ASP 14 N -4.59 0.00 -0.44 4.20 2.03 0.33 -3.02 116.55 115.06 1x37 n ASP 14 Ca -0.13 0.78 0.38 0.00 0.52 0.00 0.00 54.79 56.34 1x37 n ASP 14 Cb 0.48 -0.39 0.65 0.00 -0.72 0.00 0.00 41.12 41.13 1x37 n ASP 14 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x37 n HIS 15 N -1.68 0.76 -0.27 -0.67 1.44 0.80 -1.09 115.22 114.51 1x37 n HIS 15 Ca 0.00 0.76 0.27 0.00 -2.01 0.00 0.00 57.72 56.74 1x37 n HIS 15 Cb 0.00 -1.19 0.49 0.00 0.12 0.00 0.00 29.99 29.41 1x37 n HIS 15 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1x37 n LEU 16 N -4.75 0.29 0.00 2.39 0.00 -1.17 -0.35 117.00 113.42 1x37 n LEU 16 Ca 0.39 1.38 0.00 0.00 0.00 0.00 0.00 56.01 57.78 1x37 n LEU 16 Cb 1.49 -0.67 0.00 0.00 0.00 0.00 0.00 43.42 44.24 1x37 n LEU 16 CO 0.15 -1.55 0.00 0.18 0.00 0.00 0.00 177.39 176.18 1x37 n LEU 17 N -4.88 0.07 0.08 -1.96 7.99 -0.25 -4.17 117.00 113.88 1x37 n LEU 17 Ca 0.32 0.47 -0.13 0.00 -0.01 0.00 0.00 56.01 56.66 1x37 n LEU 17 Cb 1.07 -0.49 -0.07 0.00 -0.11 0.00 0.00 43.42 43.82 1x37 n LEU 17 CO 0.01 -0.49 0.83 1.55 -1.51 0.00 0.00 177.39 177.78 1x37 h PRO 18 N 0.00 -0.11 -0.92 3.23 0.13 -1.64 0.13 132.00 132.83 1x37 h PRO 18 Ca 0.00 0.01 0.13 0.00 -0.87 0.00 0.00 66.00 65.27 1x37 h PRO 18 Cb 0.00 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 31.01 1x37 h PRO 18 CO 0.00 -0.05 -0.44 -0.22 -0.23 0.00 0.00 178.00 177.07 1x37 h LYS 19 N -0.13 -0.04 0.03 0.86 1.63 -0.93 0.24 116.57 118.22 1x37 h LYS 19 Ca -0.01 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.74 1x37 h LYS 19 Cb 0.11 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.75 1x37 h LYS 19 CO 0.02 -0.03 -0.24 1.96 -3.45 0.00 0.00 179.45 177.71 1x37 h GLN 20 N -0.04 0.06 -1.00 1.90 1.08 -1.69 -3.34 115.11 112.08 1x37 h GLN 20 Ca 0.28 -0.10 0.23 0.00 -1.45 0.00 0.00 58.65 57.60 1x37 h GLN 20 Cb 0.55 0.04 -0.10 0.00 -0.05 0.00 0.00 27.48 27.92 1x37 h GLN 20 CO -0.92 1.05 0.63 0.82 -0.95 0.00 0.00 178.83 179.45 1x37 h ILE 21 N -0.87 0.62 0.00 2.54 1.08 -0.49 0.17 117.51 120.56 1x37 h ILE 21 Ca -0.05 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1x37 h ILE 21 Cb 1.15 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 34.92 1x37 h ILE 21 CO 0.02 0.10 0.00 0.29 -0.69 0.00 0.00 178.15 177.87 1x37 n LYS 22 N -4.68 0.00 -0.36 2.37 4.76 0.79 0.63 118.16 121.66 1x37 n LYS 22 Ca 0.24 0.00 0.29 0.00 -2.87 0.00 0.00 58.31 55.96 1x37 n LYS 22 Cb 0.72 -0.78 0.54 0.00 -1.84 0.00 0.00 35.03 33.68 1x37 n LYS 22 CO 0.00 0.00 0.00 0.93 -1.37 0.00 0.00 177.40 176.96 1x37 h GLU 23 N 0.00 0.20 0.18 1.97 5.08 -1.68 1.15 114.58 121.48 1x37 h GLU 23 Ca 0.00 -0.01 -0.31 0.00 -1.00 0.00 0.00 59.36 58.04 1x37 h GLU 23 Cb 0.00 -0.05 0.02 0.00 0.50 0.00 0.00 28.75 29.22 1x37 h GLU 23 CO 0.00 0.13 -1.42 0.45 -1.00 0.00 0.00 179.01 177.18 1x37 h HIS 24 N 0.21 0.69 -1.22 4.33 3.86 -0.99 -3.30 115.15 118.72 1x37 h HIS 24 Ca 0.77 -0.50 0.45 0.00 -1.16 0.00 0.00 60.37 59.93 1x37 h HIS 24 Cb 2.00 -0.03 -0.16 0.00 1.06 0.00 0.00 27.41 30.29 1x37 h HIS 24 CO -0.01 1.43 0.74 0.41 0.86 0.00 0.00 177.93 181.37 1x37 n GLY 25 N 1.65 -0.80 0.27 2.45 0.00 2.74 0.12 105.19 111.62 1x37 n GLY 25 Ca -0.14 0.78 0.27 0.00 0.00 0.00 0.00 46.02 46.93 1x37 n GLY 25 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1x37 n LEU 26 N -4.95 0.30 -4.05 0.99 7.94 -1.07 -1.28 117.00 114.88 1x37 n LEU 26 Ca 0.39 1.41 -0.34 0.00 -1.11 0.00 0.00 56.01 56.36 1x37 n LEU 26 Cb 1.46 -0.69 -0.10 0.00 0.53 0.00 0.00 43.42 44.62 1x37 n LEU 26 CO 0.11 -1.58 0.07 -0.54 -1.11 0.00 0.00 177.39 174.34 1x37 s LYS 27 N -5.29 2.64 1.00 1.96 1.02 0.12 -5.08 119.74 116.10 1x37 s LYS 27 Ca -0.08 -2.84 -0.25 0.00 0.02 0.00 0.00 55.97 52.82 1x37 s LYS 27 Cb 0.29 -3.68 -0.18 0.00 -0.52 0.00 0.00 37.83 33.74 1x37 s LYS 27 CO 0.66 -1.20 -1.32 1.17 -0.92 0.00 0.00 175.35 173.74 1x37 n LYS 28 N 2.93 -0.06 -3.65 1.68 4.81 -0.40 -3.55 118.16 119.92 1x37 n LYS 28 Ca 0.12 -0.02 -0.29 0.00 -0.87 0.00 0.00 58.31 57.25 1x37 n LYS 28 Cb 0.36 -1.03 0.04 0.00 0.02 0.00 0.00 35.03 34.42 1x37 n LYS 28 CO 0.00 0.00 0.00 -1.13 1.17 0.00 0.00 177.40 177.44 1x37 n SER 29 N 3.27 -5.48 -2.33 3.14 3.41 -1.26 -4.87 113.62 109.50 1x37 n SER 29 Ca -0.02 -0.96 0.00 0.00 -0.26 0.00 0.00 58.87 57.63 1x37 n SER 29 Cb 0.71 -3.41 0.05 0.00 -0.26 0.00 0.00 64.21 61.29 1x37 n SER 29 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1x37 n ASN 30 N -2.62 0.75 -3.23 4.04 2.85 -1.23 -1.64 115.26 114.17 1x37 n ASN 30 Ca -0.10 -2.05 0.03 0.00 -0.11 0.00 0.00 54.58 52.36 1x37 n ASN 30 Cb 0.59 -0.19 -0.02 0.00 1.24 0.00 0.00 39.78 41.41 1x37 n ASN 30 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1x37 s LEU 31 N -2.61 -1.27 -0.38 1.20 2.96 -1.26 -4.39 118.68 112.93 1x37 s LEU 31 Ca 0.24 0.94 0.12 0.00 -0.22 0.00 0.00 54.13 55.21 1x37 s LEU 31 Cb 0.33 2.12 0.35 0.00 0.50 0.00 0.00 46.19 49.49 1x37 s LEU 31 CO -0.08 -0.24 0.73 0.00 -1.32 0.00 0.00 176.35 175.44 1x37 n GLN 32 N 5.43 1.07 -3.10 1.98 3.00 -0.08 -4.81 117.38 120.86 1x37 n GLN 32 Ca -0.03 -3.45 -0.19 0.00 -0.01 0.00 0.00 57.00 53.32 1x37 n GLN 32 Cb 0.51 -1.72 0.03 0.00 0.00 0.00 0.00 30.24 29.06 1x37 n GLN 32 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.06 176.58 1x37 s LEU 33 N -2.44 3.30 0.03 1.08 0.05 -1.26 -1.61 118.68 117.83 1x37 s LEU 33 Ca 0.40 -0.71 0.03 0.00 0.05 0.00 0.00 54.13 53.91 1x37 s LEU 33 Cb 0.34 -2.00 -0.02 0.00 -2.05 0.00 0.00 46.19 42.46 1x37 s LEU 33 CO -0.08 -1.08 -0.10 -0.13 -0.55 0.00 0.00 176.35 174.40 1x37 s ARG 34 N -4.50 0.69 0.33 1.48 3.00 -1.23 -4.90 118.95 113.82 1x37 s ARG 34 Ca 0.57 -0.65 0.13 0.00 0.00 0.00 0.00 55.73 55.77 1x37 s ARG 34 Cb -0.07 -0.61 1.03 0.00 0.00 0.00 0.00 34.95 35.30 1x37 s ARG 34 CO 0.35 0.14 1.66 0.38 0.00 0.00 0.00 175.30 177.83 1x37 h ASP 35 N 4.97 0.42 -0.98 0.23 2.03 -1.99 0.93 116.42 122.03 1x37 h ASP 35 Ca -0.35 0.19 0.10 0.00 -0.73 0.00 0.00 57.03 56.24 1x37 h ASP 35 Cb 1.19 0.17 -0.07 0.00 -0.83 0.00 0.00 39.33 39.78 1x37 h ASP 35 CO 0.44 -0.15 0.63 -0.61 -1.03 0.00 0.00 179.24 178.52 1x37 h GLN 36 N 0.30 1.01 0.00 4.15 4.15 -1.95 -0.83 115.11 121.93 1x37 h GLN 36 Ca 0.71 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 60.07 1x37 h GLN 36 Cb 1.59 -0.23 0.00 0.00 0.21 0.00 0.00 27.48 29.06 1x37 h GLN 36 CO -0.62 0.67 0.00 0.00 -1.93 0.00 0.00 178.83 176.94 1x37 n ALA 37 N -2.37 -0.05 -0.32 3.38 0.00 0.32 -0.70 120.51 120.78 1x37 n ALA 37 Ca 0.17 0.00 0.19 0.00 0.00 0.00 0.00 53.44 53.80 1x37 n ALA 37 Cb 0.29 0.06 0.39 0.00 0.00 0.00 0.00 19.45 20.18 1x37 n ALA 37 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1x37 h ILE 38 N 0.00 0.27 0.17 0.00 2.04 -1.56 -0.23 117.51 118.19 1x37 h ILE 38 Ca 0.00 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1x37 h ILE 38 Cb 0.00 0.02 -0.03 0.00 -0.74 0.00 0.00 36.82 36.07 1x37 h ILE 38 CO 0.00 0.04 -0.34 -0.07 0.00 0.00 0.00 178.15 177.78 1x37 h LEU 39 N 0.23 -1.00 -0.72 1.44 3.38 -0.95 -1.88 115.31 115.81 1x37 h LEU 39 Ca 0.65 0.10 0.16 0.00 0.09 0.00 0.00 57.88 58.88 1x37 h LEU 39 Cb 1.43 0.35 -0.13 0.00 0.09 0.00 0.00 40.66 42.41 1x37 h LEU 39 CO -0.66 -0.39 -0.06 0.44 0.09 0.00 0.00 178.44 177.85 1x37 h ASP 40 N -0.55 -0.46 0.00 -0.43 5.19 0.86 0.12 116.42 121.15 1x37 h ASP 40 Ca -0.02 0.20 0.00 0.00 -0.62 0.00 0.00 57.03 56.59 1x37 h ASP 40 Cb 0.52 0.37 0.00 0.00 0.18 0.00 0.00 39.33 40.41 1x37 h ASP 40 CO -0.14 -0.20 0.00 -0.38 -3.12 0.00 0.00 179.24 175.41 1x37 n ILE 41 N -5.39 0.00 -0.12 0.35 5.41 -0.76 -0.29 119.36 118.56 1x37 n ILE 41 Ca 0.12 1.34 -0.06 0.00 1.00 0.00 0.00 62.75 65.14 1x37 n ILE 41 Cb 0.42 -2.02 0.00 0.00 -0.71 0.00 0.00 39.64 37.33 1x37 n ILE 41 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 1x37 h ILE 42 N 0.00 0.32 -1.04 1.39 1.08 -0.96 0.20 117.51 118.50 1x37 h ILE 42 Ca 0.00 0.00 0.32 0.00 -0.39 0.00 0.00 64.86 64.79 1x37 h ILE 42 Cb 0.00 0.32 -0.14 0.00 -3.07 0.00 0.00 36.82 33.93 1x37 h ILE 42 CO 0.00 0.00 0.62 -0.09 -0.69 0.00 0.00 178.15 177.99 1x37 h ARG 43 N -0.18 0.32 0.02 2.37 1.12 -0.29 1.64 114.38 119.38 1x37 h ARG 43 Ca 0.19 -0.02 -0.27 0.00 -1.11 0.00 0.00 59.98 58.78 1x37 h ARG 43 Cb 0.49 -0.07 0.02 0.00 -0.01 0.00 0.00 29.97 30.40 1x37 h ARG 43 CO -0.52 0.21 -1.06 1.88 -3.11 0.00 0.00 179.97 177.37 1x37 h TYR 44 N 0.33 0.98 0.00 2.20 -1.99 0.24 -3.40 116.97 115.33 1x37 h TYR 44 Ca 0.72 -0.55 0.00 0.00 2.00 0.00 0.00 58.73 60.91 1x37 h TYR 44 Cb 1.71 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 40.34 1x37 h TYR 44 CO -0.01 1.38 0.00 0.66 -0.00 0.00 0.00 178.16 180.19 1x37 n TYR 45 N -3.83 0.00 -0.68 4.88 4.01 0.16 -4.01 117.16 117.70 1x37 n TYR 45 Ca -0.11 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.61 1x37 n TYR 45 Cb 0.89 -0.21 -0.01 0.00 -0.31 0.00 0.00 39.34 39.70 1x37 n TYR 45 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1x37 n THR 46 N -2.05 0.00 -2.91 -0.72 -1.04 0.51 -4.78 114.28 103.29 1x37 n THR 46 Ca 0.00 0.00 -0.44 0.00 -2.04 0.00 0.00 64.05 61.57 1x37 n THR 46 Cb 0.00 -0.58 0.00 0.00 -1.82 0.00 0.00 70.33 67.93 1x37 n THR 46 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 1x37 n ARG 47 N -0.10 3.77 -3.81 -2.82 1.85 -1.26 -4.94 116.66 109.36 1x37 n ARG 47 Ca -0.03 -4.12 -0.05 0.00 -1.00 0.00 0.00 57.85 52.66 1x37 n ARG 47 Cb 0.25 -2.75 -0.02 0.00 -1.05 0.00 0.00 32.46 28.90 1x37 n ARG 47 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 1x37 s GLU 48 N -0.61 1.51 0.00 2.89 4.04 -1.26 -5.06 118.70 120.21 1x37 s GLU 48 Ca 0.36 -0.83 0.21 0.00 0.04 0.00 0.00 54.97 54.75 1x37 s GLU 48 Cb 0.00 0.51 0.35 0.00 0.02 0.00 0.00 34.13 35.02 1x37 s GLU 48 CO 0.01 -0.69 1.14 0.00 -1.84 0.00 0.00 175.26 173.88 1x37 n ALA 49 N -0.47 2.34 -3.58 -0.84 0.00 -1.26 -5.07 120.51 111.64 1x37 n ALA 49 Ca -0.05 -2.10 -0.11 0.00 0.00 0.00 0.00 53.44 51.18 1x37 n ALA 49 Cb 0.60 -0.69 -0.09 0.00 0.00 0.00 0.00 19.45 19.27 1x37 n ALA 49 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x37 s GLY 50 N -1.82 -0.46 0.02 0.00 0.00 -1.26 -5.05 107.32 98.76 1x37 s GLY 50 Ca 0.28 1.81 -0.19 0.00 0.00 0.00 0.00 44.72 46.62 1x37 s GLY 50 CO -0.14 1.75 1.15 -0.39 0.00 0.00 0.00 173.10 175.47 1x37 h VAL 51 N 4.84 1.40 -0.80 1.40 -1.51 -1.98 -2.68 116.25 116.92 1x37 h VAL 51 Ca -0.31 -2.01 0.18 0.00 -1.23 0.00 0.00 66.70 63.33 1x37 h VAL 51 Cb 1.19 2.45 -0.14 0.00 -2.13 0.00 0.00 31.29 32.65 1x37 h VAL 51 CO 0.20 0.59 -0.06 0.08 -1.23 0.00 0.00 177.57 177.15 1x37 h ARG 52 N 0.01 0.06 -0.26 5.19 -0.00 -1.99 0.30 114.38 117.68 1x37 h ARG 52 Ca -0.07 -0.00 -0.10 0.00 -0.00 0.00 0.00 59.98 59.81 1x37 h ARG 52 Cb 1.29 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 31.24 1x37 h ARG 52 CO 0.12 0.04 -0.22 0.77 -0.00 0.00 0.00 179.97 180.68 1x37 h SER 53 N 0.06 0.65 0.09 0.08 0.02 -1.99 -1.68 113.55 110.78 1x37 h SER 53 Ca 0.43 -0.45 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 1x37 h SER 53 Cb 0.75 -0.18 -0.05 0.00 0.14 0.00 0.00 62.40 63.06 1x37 h SER 53 CO -0.75 0.97 -0.51 0.25 -1.14 0.00 0.00 176.83 175.65 1x37 h LEU 54 N 0.34 -1.52 -1.09 5.07 6.46 -0.21 0.27 115.31 124.62 1x37 h LEU 54 Ca 0.05 0.17 0.14 0.00 -0.12 0.00 0.00 57.88 58.11 1x37 h LEU 54 Cb 0.76 0.57 -0.08 0.00 -0.73 0.00 0.00 40.66 41.18 1x37 h LEU 54 CO 0.06 -0.54 0.61 -0.33 -0.62 0.00 0.00 178.44 177.62 1x37 h GLU 55 N -0.72 0.84 -0.95 1.25 5.08 -0.72 0.11 114.58 119.47 1x37 h GLU 55 Ca 0.01 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1x37 h GLU 55 Cb 0.74 -0.19 -0.05 0.00 0.50 0.00 0.00 28.75 29.75 1x37 h GLU 55 CO -0.30 0.56 0.58 -0.09 -1.00 0.00 0.00 179.01 178.76 1x37 h ARG 56 N 0.86 1.28 -0.30 2.33 2.43 0.13 0.15 114.38 121.26 1x37 h ARG 56 Ca 0.50 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.55 1x37 h ARG 56 Cb 0.64 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1x37 h ARG 56 CO -0.27 0.88 0.13 0.37 -1.51 0.00 0.00 179.97 179.58 1x37 h GLN 57 N 1.30 0.44 -0.04 0.20 4.15 0.20 0.14 115.11 121.51 1x37 h GLN 57 Ca 0.34 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.69 1x37 h GLN 57 Cb -0.08 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 27.53 1x37 h GLN 57 CO -0.07 0.44 0.01 -0.07 -1.93 0.00 0.00 178.83 177.21 1x37 h LEU 58 N 0.35 0.06 -1.17 -2.39 3.38 -0.83 -1.53 115.31 113.17 1x37 h LEU 58 Ca 0.10 -0.20 0.12 0.00 0.09 0.00 0.00 57.88 57.99 1x37 h LEU 58 Cb 0.15 -0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 1x37 h LEU 58 CO -0.01 0.24 0.59 0.00 0.09 0.00 0.00 178.44 179.35 1x37 h ALA 59 N 0.82 1.66 0.66 1.53 0.00 -0.56 -0.20 119.26 123.17 1x37 h ALA 59 Ca 0.01 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1x37 h ALA 59 Cb 0.20 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1x37 h ALA 59 CO -0.00 0.12 -0.32 0.00 0.00 0.00 0.00 179.25 179.05 1x37 h ALA 60 N 1.56 -0.89 -0.70 0.00 0.00 -0.08 -1.93 119.26 117.22 1x37 h ALA 60 Ca 0.45 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1x37 h ALA 60 Cb 0.52 0.34 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1x37 h ALA 60 CO -0.21 -0.97 0.45 0.97 0.00 0.00 0.00 179.25 179.49 1x37 h ILE 61 N -0.94 1.15 0.11 0.00 2.10 -0.75 0.27 117.51 119.44 1x37 h ILE 61 Ca -0.09 -0.31 -0.00 0.00 1.08 0.00 0.00 64.86 65.53 1x37 h ILE 61 Cb 0.70 0.15 -0.01 0.00 -1.09 0.00 0.00 36.82 36.57 1x37 h ILE 61 CO 0.15 0.17 -0.14 0.00 -1.08 0.00 0.00 178.15 177.25 1x37 h ARG 63 N -0.25 0.75 -1.05 0.00 -0.00 -1.32 -1.35 114.38 111.16 1x37 h ARG 63 Ca -0.01 -0.10 0.37 0.00 -0.00 0.00 0.00 59.98 60.24 1x37 h ARG 63 Cb 0.23 -0.14 -0.16 0.00 -0.00 0.00 0.00 29.97 29.90 1x37 h ARG 63 CO -0.03 0.60 0.60 -0.22 -0.00 0.00 0.00 179.97 180.92 1x37 h LYS 64 N 0.71 0.18 -0.07 0.08 1.63 -0.31 2.24 116.57 121.03 1x37 h LYS 64 Ca 0.18 -0.01 -0.24 0.00 -0.85 0.00 0.00 60.65 59.73 1x37 h LYS 64 Cb 0.09 -0.04 0.01 0.00 -0.60 0.00 0.00 32.23 31.69 1x37 h LYS 64 CO -0.03 0.12 -0.90 0.00 -3.45 0.00 0.00 179.45 175.19 1x37 h ALA 65 N 1.86 0.27 -1.00 5.00 0.00 -0.22 -3.12 119.26 122.04 1x37 h ALA 65 Ca 0.78 -0.65 0.22 0.00 0.00 0.00 0.00 54.91 55.26 1x37 h ALA 65 Cb 2.00 0.01 -0.11 0.00 0.00 0.00 0.00 17.79 19.69 1x37 h ALA 65 CO -0.63 0.71 0.61 0.00 0.00 0.00 0.00 179.25 179.94 1x37 h ALA 66 N 0.55 1.77 -0.49 0.00 0.00 0.46 0.21 119.26 121.75 1x37 h ALA 66 Ca -0.09 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1x37 h ALA 66 Cb 1.54 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 1x37 h ALA 66 CO 0.18 -0.18 -0.20 0.87 0.00 0.00 0.00 179.25 179.92 1x37 h LYS 67 N 0.66 1.00 0.00 0.00 1.57 -1.17 -2.30 116.57 116.33 1x37 h LYS 67 Ca 0.60 -0.42 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1x37 h LYS 67 Cb 1.07 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.34 1x37 h LYS 67 CO -0.41 1.10 0.11 0.00 -0.57 0.00 0.00 179.45 179.68 1x37 n ALA 68 N -2.51 0.80 0.12 3.86 0.00 0.73 -2.22 120.51 121.28 1x37 n ALA 68 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1x37 n ALA 68 Cb 0.45 -0.71 0.22 0.00 0.00 0.00 0.00 19.45 19.41 1x37 n ALA 68 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1x37 n ILE 69 N -1.23 0.60 0.29 0.00 2.08 -0.87 -0.01 119.36 120.22 1x37 n ILE 69 Ca 0.00 0.68 0.14 0.00 0.56 0.00 0.00 62.75 64.14 1x37 n ILE 69 Cb 0.11 -1.68 0.85 0.00 -0.75 0.00 0.00 39.64 38.17 1x37 n ILE 69 CO 0.00 0.00 0.00 1.62 0.56 0.00 0.00 176.55 178.73 1x37 h VAL 70 N 0.00 0.53 -0.06 1.39 3.04 -1.73 -3.42 116.25 116.00 1x37 h VAL 70 Ca 0.00 -0.21 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 1x37 h VAL 70 Cb 0.72 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 1x37 h VAL 70 CO 0.00 0.05 0.00 0.00 -1.01 0.00 0.00 177.57 176.61 1x37 n ALA 71 N -2.30 0.00 -1.67 3.17 0.00 0.98 -4.73 120.51 115.96 1x37 n ALA 71 Ca -0.03 0.00 -0.50 0.00 0.00 0.00 0.00 53.44 52.91 1x37 n ALA 71 Cb 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.54 1x37 n ALA 71 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1x37 n GLU 72 N 0.00 1.83 -1.64 0.00 -0.58 -1.26 -4.79 120.64 114.19 1x37 n GLU 72 Ca 0.00 0.66 -0.49 0.00 -0.42 0.00 0.00 57.16 56.91 1x37 n GLU 72 Cb 0.00 -2.43 -0.05 0.00 -0.57 0.00 0.00 31.44 28.39 1x37 n GLU 72 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1x37 n GLU 73 N 4.97 1.87 0.00 3.49 1.02 -1.26 -4.63 120.64 126.10 1x37 n GLU 73 Ca 0.21 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 58.01 1x37 n GLU 73 Cb 0.25 -2.60 0.00 0.00 -0.02 0.00 0.00 31.44 29.07 1x37 n GLU 73 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1x37 n ARG 74 N 6.93 2.59 -1.03 3.49 0.63 -1.26 -5.15 116.66 122.86 1x37 n ARG 74 Ca 0.27 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.32 1x37 n ARG 74 Cb 0.28 -0.22 -0.04 0.00 0.45 0.00 0.00 32.46 32.93 1x37 n ARG 74 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1x37 n LYS 75 N 0.00 -1.96 -2.69 -0.14 5.02 -1.26 -4.94 118.16 112.18 1x37 n LYS 75 Ca 0.00 1.38 -0.05 0.00 -2.02 0.00 0.00 58.31 57.62 1x37 n LYS 75 Cb 0.00 -2.45 -0.04 0.00 -0.02 0.00 0.00 35.03 32.52 1x37 n LYS 75 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1x37 n ARG 76 N -3.20 -4.06 -2.87 1.97 1.74 -0.66 -4.85 116.66 104.74 1x37 n ARG 76 Ca -0.01 3.10 -0.43 0.00 -0.77 0.00 0.00 57.85 59.74 1x37 n ARG 76 Cb 0.61 -4.37 -0.05 0.00 -1.02 0.00 0.00 32.46 27.64 1x37 n ARG 76 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1x37 s ILE 77 N -0.58 4.53 -0.05 0.55 -1.09 -1.26 -4.85 121.20 118.45 1x37 s ILE 77 Ca -0.24 0.60 -0.23 0.00 -2.23 0.00 0.00 60.65 58.55 1x37 s ILE 77 Cb 0.02 -4.40 -0.04 0.00 -1.58 0.00 0.00 42.46 36.46 1x37 s ILE 77 CO 0.67 -0.81 0.69 -0.89 -1.23 0.00 0.00 174.94 173.37 1x37 s THR 78 N 3.59 5.01 -0.15 2.92 2.01 -1.26 -0.90 115.64 126.86 1x37 s THR 78 Ca 0.34 1.42 0.00 0.00 0.31 0.00 0.00 61.69 63.77 1x37 s THR 78 Cb -0.11 -4.03 0.02 0.00 0.01 0.00 0.00 72.50 68.40 1x37 s THR 78 CO 0.25 0.28 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.63 1x37 s VAL 79 N 0.62 1.56 0.00 3.82 1.01 -0.64 -4.95 120.40 121.83 1x37 s VAL 79 Ca 0.37 -0.65 0.00 0.00 0.00 0.00 0.00 61.98 61.69 1x37 s VAL 79 Cb -0.18 -1.48 0.00 0.00 0.00 0.00 0.00 36.38 34.72 1x37 s VAL 79 CO 0.18 0.43 0.00 0.35 0.00 0.00 0.00 175.10 176.06 1x37 n THR 80 N 4.77 0.00 0.18 3.92 -2.24 -1.26 -3.55 114.28 116.11 1x37 n THR 80 Ca -0.17 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.63 1x37 n THR 80 Cb 0.50 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 1x37 n THR 80 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1x37 n GLU 81 N 0.00 5.52 -0.02 -0.78 -0.00 -1.26 -3.96 120.64 120.14 1x37 n GLU 81 Ca 0.00 -0.00 0.01 0.00 -0.00 0.00 0.00 57.16 57.17 1x37 n GLU 81 Cb 0.00 -0.70 -0.08 0.00 -0.00 0.00 0.00 31.44 30.66 1x37 n GLU 81 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 1x37 n LYS 82 N -1.11 1.12 -0.23 3.44 2.85 -1.26 -4.54 118.16 118.43 1x37 n LYS 82 Ca 0.01 -0.06 -0.09 0.00 -1.05 0.00 0.00 58.31 57.12 1x37 n LYS 82 Cb 0.06 -1.24 0.03 0.00 -0.65 0.00 0.00 35.03 33.23 1x37 n LYS 82 CO 0.00 0.00 0.00 -0.91 -0.05 0.00 0.00 177.40 176.44 1x37 h ASN 83 N 0.00 1.07 -0.98 -5.58 4.21 -1.92 -2.49 115.58 109.88 1x37 h ASN 83 Ca -0.10 -0.28 0.15 0.00 1.21 0.00 0.00 56.30 57.28 1x37 h ASN 83 Cb 0.89 -0.29 -0.09 0.00 -1.12 0.00 0.00 38.32 37.72 1x37 h ASN 83 CO 0.01 1.09 0.62 0.17 -1.29 0.00 0.00 177.43 178.02 1x37 h LEU 84 N 1.02 0.83 -0.83 1.61 8.10 -1.81 0.99 115.31 125.21 1x37 h LEU 84 Ca 0.19 0.06 -0.04 0.00 0.11 0.00 0.00 57.88 58.20 1x37 h LEU 84 Cb 0.50 -0.10 -0.04 0.00 -0.44 0.00 0.00 40.66 40.59 1x37 h LEU 84 CO 0.02 0.39 0.34 -0.61 -4.11 0.00 0.00 178.44 174.47 1x37 h GLN 85 N 0.86 1.19 -0.69 0.17 5.75 -1.70 0.21 115.11 120.90 1x37 h GLN 85 Ca 0.51 -0.21 -0.07 0.00 -0.15 0.00 0.00 58.65 58.74 1x37 h GLN 85 Cb 0.67 -0.20 -0.03 0.00 1.07 0.00 0.00 27.48 29.00 1x37 h GLN 85 CO -0.29 0.95 0.16 0.38 -2.65 0.00 0.00 178.83 177.38 1x37 h ASP 86 N 1.17 1.05 -0.00 -0.69 3.04 -0.72 2.06 116.42 122.32 1x37 h ASP 86 Ca 0.27 -0.23 -0.17 0.00 -3.24 0.00 0.00 57.03 53.67 1x37 h ASP 86 Cb 0.19 -0.28 0.01 0.00 -1.04 0.00 0.00 39.33 38.22 1x37 h ASP 86 CO -0.03 1.01 -0.65 -0.26 -2.04 0.00 0.00 179.24 177.28 1x37 h PHE 87 N 1.05 0.66 0.00 4.15 0.04 -0.97 -3.36 116.94 118.51 1x37 h PHE 87 Ca 0.22 -0.36 -0.00 0.00 2.80 0.00 0.00 57.97 60.63 1x37 h PHE 87 Cb 0.38 -0.08 0.00 0.00 2.20 0.00 0.00 35.95 38.46 1x37 h PHE 87 CO 0.03 1.18 -0.00 0.97 -0.60 0.00 0.00 178.31 179.88 1x37 h ILE 88 N -0.05 1.53 -3.97 -0.55 2.10 -0.51 -3.48 117.51 112.57 1x37 h ILE 88 Ca -0.08 -2.14 -0.24 0.00 1.08 0.00 0.00 64.86 63.48 1x37 h ILE 88 Cb 1.35 2.89 0.09 0.00 -1.09 0.00 0.00 36.82 40.05 1x37 h ILE 88 CO 0.13 0.52 -0.42 0.61 -1.08 0.00 0.00 178.15 177.91 1x37 n GLY 89 N 1.62 0.03 3.22 8.18 0.00 0.70 -5.02 105.19 113.92 1x37 n GLY 89 Ca -0.09 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 1x37 n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x37 s LYS 90 N -5.72 0.87 -0.30 1.61 1.02 -1.26 -5.09 119.74 110.88 1x37 s LYS 90 Ca 0.33 -0.89 -0.12 0.00 0.02 0.00 0.00 55.97 55.31 1x37 s LYS 90 Cb -0.14 0.36 0.13 0.00 -0.52 0.00 0.00 37.83 37.66 1x37 s LYS 90 CO 0.44 -0.29 0.76 1.03 -0.92 0.00 0.00 175.35 176.37 1x37 s ARG 91 N -3.75 0.51 -0.11 1.68 0.52 -1.26 -4.98 118.95 111.56 1x37 s ARG 91 Ca 0.04 1.20 -0.02 0.00 -0.52 0.00 0.00 55.73 56.43 1x37 s ARG 91 Cb 0.04 0.63 -0.06 0.00 0.52 0.00 0.00 34.95 36.08 1x37 s ARG 91 CO -0.11 -0.16 -0.11 -0.89 0.02 0.00 0.00 175.30 174.05 1x37 n ILE 92 N 5.10 0.61 -2.83 1.52 5.41 -1.26 -4.81 119.36 123.09 1x37 n ILE 92 Ca -0.13 -0.20 -0.43 0.00 1.00 0.00 0.00 62.75 62.99 1x37 n ILE 92 Cb 0.52 -1.16 -0.01 0.00 -0.71 0.00 0.00 39.64 38.27 1x37 n ILE 92 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 1x37 s PHE 93 N -2.21 3.18 -1.12 1.39 0.40 -1.26 -4.93 117.98 113.43 1x37 s PHE 93 Ca -0.15 -1.73 -0.21 0.00 -0.60 0.00 0.00 56.93 54.24 1x37 s PHE 93 Cb 0.05 -4.43 0.02 0.00 0.51 0.00 0.00 43.02 39.17 1x37 s PHE 93 CO 0.23 -1.55 1.69 1.03 0.70 0.00 0.00 175.22 177.32 1x37 s ARG 94 N 2.69 3.42 0.00 0.44 3.00 -1.26 -5.01 118.95 122.23 1x37 s ARG 94 Ca 0.43 -1.30 0.00 0.00 0.00 0.00 0.00 55.73 54.85 1x37 s ARG 94 Cb -0.02 -5.36 0.00 0.00 0.00 0.00 0.00 34.95 29.57 1x37 s ARG 94 CO -0.02 -2.65 0.00 0.66 0.00 0.00 0.00 175.30 173.29