#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1o s ILE 6 N 0.00 1.19 -0.54 0.55 1.09 -0.82 -4.72 121.20 117.95 3i1o s ILE 6 Ca 0.00 -0.50 -0.02 0.00 -1.10 0.00 0.00 60.65 59.03 3i1o s ILE 6 Cb 0.00 -1.09 0.14 0.00 -1.06 0.00 0.00 42.46 40.45 3i1o s ILE 6 CO 0.00 0.37 0.33 -0.13 -0.10 0.00 0.00 174.94 175.41 3i1o s ARG 7 N 0.75 2.29 -1.26 2.79 3.00 -1.19 0.41 118.95 125.74 3i1o s ARG 7 Ca -0.13 -2.29 -0.14 0.00 0.00 0.00 0.00 55.73 53.17 3i1o s ARG 7 Cb -0.16 -3.63 0.14 0.00 0.00 0.00 0.00 34.95 31.31 3i1o s ARG 7 CO 0.03 -1.13 1.64 0.44 0.00 0.00 0.00 175.30 176.28 3i1o n ILE 8 N 3.83 4.15 -1.59 1.52 -5.35 -1.19 -3.14 119.36 117.60 3i1o n ILE 8 Ca 0.04 -4.42 -0.43 0.00 -0.27 0.00 0.00 62.75 57.67 3i1o n ILE 8 Cb 0.39 -2.43 -0.03 0.00 -1.74 0.00 0.00 39.64 35.82 3i1o n ILE 8 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 3i1o n ARG 9 N 5.97 1.83 -3.13 6.28 1.74 -0.96 -4.46 116.66 123.93 3i1o n ARG 9 Ca 0.41 0.48 -0.45 0.00 -0.77 0.00 0.00 57.85 57.52 3i1o n ARG 9 Cb 0.42 -3.21 -0.04 0.00 -1.02 0.00 0.00 32.46 28.62 3i1o n ARG 9 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3i1o s LEU 10 N 8.58 5.68 0.02 0.55 1.43 -1.23 -3.38 118.68 130.34 3i1o s LEU 10 Ca 1.01 -1.87 0.02 0.00 -1.03 0.00 0.00 54.13 52.27 3i1o s LEU 10 Cb -0.36 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.53 3i1o s LEU 10 CO 0.35 -0.97 -0.01 -1.59 0.23 0.00 0.00 176.35 174.37 3i1o s LYS 11 N 2.05 2.70 0.29 1.70 0.00 -1.21 -1.19 119.74 124.07 3i1o s LYS 11 Ca 0.17 -0.68 -0.20 0.00 0.00 0.00 0.00 55.97 55.26 3i1o s LYS 11 Cb -0.17 -2.61 0.04 0.00 0.00 0.00 0.00 37.83 35.09 3i1o s LYS 11 CO -0.01 0.60 0.81 0.00 0.00 0.00 0.00 175.35 176.76 3i1o s ALA 12 N -1.11 -1.16 -0.26 0.59 0.00 -1.05 -3.00 121.76 115.76 3i1o s ALA 12 Ca 0.20 -0.40 0.22 0.00 0.00 0.00 0.00 51.96 51.99 3i1o s ALA 12 Cb -0.11 0.75 -0.12 0.00 0.00 0.00 0.00 23.12 23.63 3i1o s ALA 12 CO 0.11 -1.03 0.82 1.19 0.00 0.00 0.00 175.76 176.86 3i1o n PHE 13 N -0.51 0.42 -3.90 0.00 0.99 -1.26 -0.79 117.46 112.42 3i1o n PHE 13 Ca -0.06 0.12 -0.28 0.00 -0.00 0.00 0.00 57.45 57.23 3i1o n PHE 13 Cb 0.60 -0.64 -0.16 0.00 -1.00 0.00 0.00 39.48 38.27 3i1o n PHE 13 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3i1o s ASP 14 N -4.65 2.77 0.25 4.37 1.01 -1.26 -4.51 116.67 114.65 3i1o s ASP 14 Ca -0.02 -0.63 -0.04 0.00 0.71 0.00 0.00 52.55 52.57 3i1o s ASP 14 Cb 0.12 -0.91 0.36 0.00 1.01 0.00 0.00 42.92 43.51 3i1o s ASP 14 CO 0.84 -0.18 1.86 0.45 0.21 0.00 0.00 175.17 178.36 3i1o h HIS 15 N 8.12 1.08 -1.21 4.23 3.86 -1.90 -0.46 115.15 128.86 3i1o h HIS 15 Ca -0.25 0.03 0.45 0.00 -1.16 0.00 0.00 60.37 59.44 3i1o h HIS 15 Cb 1.11 -0.35 -0.15 0.00 1.06 0.00 0.00 27.41 29.08 3i1o h HIS 15 CO 0.45 0.55 0.74 0.54 0.86 0.00 0.00 177.93 181.07 3i1o n ARG 16 N -4.57 -0.05 -0.13 2.45 1.74 -1.26 -0.32 116.66 114.52 3i1o n ARG 16 Ca 0.14 1.29 -0.26 0.00 -0.77 0.00 0.00 57.85 58.24 3i1o n ARG 16 Cb 0.18 -2.45 -0.10 0.00 -1.02 0.00 0.00 32.46 29.07 3i1o n ARG 16 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 3i1o n LEU 17 N -4.92 2.13 0.22 0.55 7.94 -0.55 -3.13 117.00 119.24 3i1o n LEU 17 Ca 0.39 0.23 0.11 0.00 -1.11 0.00 0.00 56.01 55.63 3i1o n LEU 17 Cb 1.44 -0.81 0.61 0.00 0.53 0.00 0.00 43.42 45.19 3i1o n LEU 17 CO 0.11 0.64 0.92 -0.29 -1.11 0.00 0.00 177.39 177.66 3i1o h ILE 18 N -0.76 0.00 0.00 1.96 2.10 -0.47 0.76 117.51 121.11 3i1o h ILE 18 Ca -0.66 0.00 -0.35 0.00 1.08 0.00 0.00 64.86 64.93 3i1o h ILE 18 Cb 1.66 0.50 -0.07 0.00 -1.09 0.00 0.00 36.82 37.82 3i1o h ILE 18 CO -0.34 0.00 -2.31 -0.67 -1.08 0.00 0.00 178.15 173.75 3i1o n ASP 19 N -2.40 0.49 -0.28 2.19 -0.08 0.56 -3.78 116.55 113.25 3i1o n ASP 19 Ca -0.01 -0.01 -0.01 0.00 -1.51 0.00 0.00 54.79 53.24 3i1o n ASP 19 Cb 0.23 0.84 0.17 0.00 2.34 0.00 0.00 41.12 44.70 3i1o n ASP 19 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 3i1o h GLN 20 N 0.00 1.13 0.18 -0.67 -0.00 0.34 -0.83 115.11 115.26 3i1o h GLN 20 Ca -0.52 -0.10 -0.01 0.00 -0.00 0.00 0.00 58.65 58.03 3i1o h GLN 20 Cb 2.14 -0.24 0.00 0.00 0.00 0.00 0.00 27.48 29.38 3i1o h GLN 20 CO 0.02 0.79 -0.09 0.00 0.00 0.00 0.00 178.83 179.54 3i1o h ALA 21 N 1.41 -0.25 -0.32 3.38 0.00 -0.40 -2.80 119.26 120.29 3i1o h ALA 21 Ca 0.30 -0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.12 3i1o h ALA 21 Cb -0.05 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3i1o h ALA 21 CO -0.06 -0.46 0.24 1.15 0.00 0.00 0.00 179.25 180.13 3i1o h THR 22 N -0.61 0.79 0.00 0.00 2.02 -1.62 0.92 112.91 114.41 3i1o h THR 22 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3i1o h THR 22 Cb 0.45 0.83 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 3i1o h THR 22 CO 0.04 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.93 3i1o n ALA 23 N -2.58 -0.10 -0.24 6.16 0.00 -0.33 -2.67 120.51 120.75 3i1o n ALA 23 Ca 0.05 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.57 3i1o n ALA 23 Cb 0.41 0.01 0.34 0.00 0.00 0.00 0.00 19.45 20.21 3i1o n ALA 23 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i1o h GLU 24 N 0.00 0.77 -1.00 0.00 4.39 -1.48 -2.26 114.58 115.00 3i1o h GLU 24 Ca 0.00 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.53 3i1o h GLU 24 Cb 0.00 -0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 28.40 3i1o h GLU 24 CO 0.00 0.51 0.16 -0.89 -1.16 0.00 0.00 179.01 177.63 3i1o n ILE 25 N -4.51 1.53 0.00 3.13 5.41 0.31 -3.34 119.36 121.89 3i1o n ILE 25 Ca 0.14 -0.47 0.00 0.00 1.00 0.00 0.00 62.75 63.43 3i1o n ILE 25 Cb 0.32 -0.87 0.00 0.00 -0.71 0.00 0.00 39.64 38.38 3i1o n ILE 25 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3i1o n VAL 26 N 0.10 0.00 1.42 1.39 0.31 -0.86 -4.63 118.33 116.05 3i1o n VAL 26 Ca 0.15 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.50 3i1o n VAL 26 Cb 0.78 -0.02 0.08 0.00 -0.91 0.00 0.00 33.84 33.77 3i1o n VAL 26 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3i1o n GLU 27 N -0.96 1.42 0.00 5.55 -0.58 -1.13 -1.77 120.64 123.17 3i1o n GLU 27 Ca 0.00 -0.63 0.00 0.00 -0.42 0.00 0.00 57.16 56.11 3i1o n GLU 27 Cb 0.01 -1.15 0.00 0.00 -0.57 0.00 0.00 31.44 29.73 3i1o n GLU 27 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 3i1o n THR 28 N 0.02 0.00 -0.12 2.62 5.66 -1.21 -4.43 114.28 116.82 3i1o n THR 28 Ca 0.06 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.89 3i1o n THR 28 Cb 0.16 -0.76 -0.11 0.00 -1.55 0.00 0.00 70.33 68.06 3i1o n THR 28 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3i1o n ALA 29 N -2.15 1.49 0.49 1.79 0.00 -1.25 -4.15 120.51 116.73 3i1o n ALA 29 Ca 0.00 -1.01 0.12 0.00 0.00 0.00 0.00 53.44 52.56 3i1o n ALA 29 Cb 0.48 -0.04 0.46 0.00 0.00 0.00 0.00 19.45 20.35 3i1o n ALA 29 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3i1o n LYS 30 N -3.22 0.21 0.00 0.00 0.00 -0.73 -4.04 118.16 110.38 3i1o n LYS 30 Ca -0.42 0.34 0.00 0.00 0.00 0.00 0.00 58.31 58.23 3i1o n LYS 30 Cb 0.94 -1.84 0.00 0.00 0.00 0.00 0.00 35.03 34.13 3i1o n LYS 30 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 3i1o n ARG 31 N -2.22 0.00 -1.70 1.64 0.63 -1.21 -4.15 116.66 109.65 3i1o n ARG 31 Ca 0.03 0.00 -0.42 0.00 -0.92 0.00 0.00 57.85 56.54 3i1o n ARG 31 Cb 0.30 -0.66 -0.03 0.00 0.45 0.00 0.00 32.46 32.52 3i1o n ARG 31 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 3i1o s THR 32 N -0.44 2.58 -0.06 5.15 -1.32 -1.26 -4.01 115.64 116.29 3i1o s THR 32 Ca 0.00 0.02 -0.04 0.00 -1.21 0.00 0.00 61.69 60.47 3i1o s THR 32 Cb 0.00 -3.01 0.01 0.00 -1.51 0.00 0.00 72.50 67.99 3i1o s THR 32 CO 0.00 -0.00 0.07 0.61 -2.21 0.00 0.00 174.62 173.09 3i1o n GLY 33 N 4.29 -3.64 3.14 6.08 0.00 -1.26 -4.74 105.19 109.06 3i1o n GLY 33 Ca 0.18 0.27 -0.27 0.00 0.00 0.00 0.00 46.02 46.21 3i1o n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1o n ALA 34 N 0.50 1.86 -0.83 4.61 0.00 -1.26 -4.64 120.51 120.76 3i1o n ALA 34 Ca -0.12 -1.83 0.00 0.00 0.00 0.00 0.00 53.44 51.48 3i1o n ALA 34 Cb 0.19 -3.22 0.00 0.00 0.00 0.00 0.00 19.45 16.42 3i1o n ALA 34 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3i1o n GLN 35 N 6.33 0.00 -2.73 0.00 -0.06 -1.26 -5.04 117.38 114.62 3i1o n GLN 35 Ca 0.32 0.08 -0.03 0.00 -2.00 0.00 0.00 57.00 55.38 3i1o n GLN 35 Cb 0.24 -0.80 -0.02 0.00 -4.06 0.00 0.00 30.24 25.59 3i1o n GLN 35 CO 0.00 0.00 0.00 0.28 -0.20 0.00 0.00 177.06 177.14 3i1o n VAL 36 N -0.75-10.82 0.18 1.69 0.31 -1.26 -4.97 118.33 102.71 3i1o n VAL 36 Ca 0.00 2.03 0.02 0.00 -0.01 0.00 0.00 64.34 66.39 3i1o n VAL 36 Cb 0.00 -6.12 0.01 0.00 -0.91 0.00 0.00 33.84 26.82 3i1o n VAL 36 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3i1o n ARG 37 N 1.36 1.22 -0.53 5.55 3.00 -1.24 -5.09 116.66 120.92 3i1o n ARG 37 Ca -0.19 -0.56 0.00 0.00 -0.00 0.00 0.00 57.85 57.09 3i1o n ARG 37 Cb 0.34 -0.98 0.00 0.00 0.00 0.00 0.00 32.46 31.82 3i1o n ARG 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i1o n GLY 38 N 0.47 -3.82 3.68 5.14 0.00 -1.17 -4.86 105.19 104.63 3i1o n GLY 38 Ca 0.02 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 3i1o n GLY 38 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i1o s PRO 39 N -3.45 4.27 -0.18 1.61 0.04 -1.26 -3.42 135.00 132.61 3i1o s PRO 39 Ca 0.00 1.92 -0.01 0.00 0.04 0.00 0.00 61.00 62.95 3i1o s PRO 39 Cb 0.00 -3.65 -0.01 0.00 0.04 0.00 0.00 34.50 30.88 3i1o s PRO 39 CO 0.00 -0.62 -0.11 0.42 0.04 0.00 0.00 177.00 176.73 3i1o s ILE 40 N 2.76 2.99 0.07 0.56 1.09 -1.26 -4.84 121.20 122.58 3i1o s ILE 40 Ca 0.63 -0.65 -0.36 0.00 -1.10 0.00 0.00 60.65 59.17 3i1o s ILE 40 Cb -0.29 -2.30 -0.19 0.00 -1.06 0.00 0.00 42.46 38.61 3i1o s ILE 40 CO 0.25 0.49 1.58 1.55 -0.10 0.00 0.00 174.94 178.70 3i1o h PRO 41 N 7.50 -1.12 -2.99 2.79 0.13 -1.92 -3.27 132.00 133.10 3i1o h PRO 41 Ca -0.36 0.08 0.26 0.00 -0.87 0.00 0.00 66.00 65.11 3i1o h PRO 41 Cb 1.18 0.25 -0.15 0.00 0.13 0.00 0.00 31.00 32.42 3i1o h PRO 41 CO 0.59 -0.75 -1.06 1.28 -0.23 0.00 0.00 178.00 177.83 3i1o n LEU 42 N -5.61 -0.94 -4.62 1.56 4.32 -1.26 -3.93 117.00 106.51 3i1o n LEU 42 Ca -0.15 2.10 -0.35 0.00 -0.02 0.00 0.00 56.01 57.60 3i1o n LEU 42 Cb 0.48 -2.57 0.10 0.00 -1.62 0.00 0.00 43.42 39.82 3i1o n LEU 42 CO 0.36 -1.68 0.55 -0.81 -1.22 0.00 0.00 177.39 174.59 3i1o n PRO 43 N -3.81 0.35 0.00 3.23 -0.04 -1.26 -4.70 135.00 128.77 3i1o n PRO 43 Ca -0.07 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 3i1o n PRO 43 Cb 0.56 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.77 3i1o n PRO 43 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 3i1o n THR 44 N -2.83 0.00 -0.27 0.52 -1.04 -1.26 -4.66 114.28 104.75 3i1o n THR 44 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 3i1o n THR 44 Cb 0.50 -0.19 0.00 0.00 -1.82 0.00 0.00 70.33 68.81 3i1o n THR 44 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3i1o n ARG 45 N 0.00 1.36 -0.35 -2.82 1.74 -1.24 -4.90 116.66 110.45 3i1o n ARG 45 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i1o n ARG 45 Cb 0.00 -0.11 0.00 0.00 -1.02 0.00 0.00 32.46 31.33 3i1o n ARG 45 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3i1o n LYS 46 N 0.00 0.00 -1.67 5.56 2.85 -1.21 -4.61 118.16 119.09 3i1o n LYS 46 Ca 0.00 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.84 3i1o n LYS 46 Cb 0.00 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.35 3i1o n LYS 46 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3i1o s GLU 47 N 0.00 3.83 0.03 -1.58 0.41 0.04 -4.71 118.70 116.71 3i1o s GLU 47 Ca 0.00 2.41 -0.30 0.00 -0.41 0.00 0.00 54.97 56.67 3i1o s GLU 47 Cb 0.00 -4.22 -0.06 0.00 -1.78 0.00 0.00 34.13 28.07 3i1o s GLU 47 CO 0.00 -1.31 1.43 -0.98 -0.49 0.00 0.00 175.26 173.92 3i1o s ARG 48 N 5.03 4.28 -0.02 1.61 1.70 -1.26 -3.34 118.95 126.95 3i1o s ARG 48 Ca 0.92 2.03 -0.00 0.00 -0.47 0.00 0.00 55.73 58.20 3i1o s ARG 48 Cb -0.39 -3.53 0.02 0.00 -0.57 0.00 0.00 34.95 30.48 3i1o s ARG 48 CO 0.39 -0.58 0.03 -0.06 -1.08 0.00 0.00 175.30 174.01 3i1o s PHE 49 N 2.26 0.01 -0.13 5.89 0.40 -0.88 -5.03 117.98 120.50 3i1o s PHE 49 Ca 0.65 0.13 -0.07 0.00 -0.60 0.00 0.00 56.93 57.04 3i1o s PHE 49 Cb -0.33 -0.18 0.05 0.00 0.51 0.00 0.00 43.02 43.07 3i1o s PHE 49 CO 0.28 -0.08 0.30 0.95 0.70 0.00 0.00 175.22 177.38 3i1o s THR 50 N 0.86 -0.03 0.04 0.64 -4.23 -1.26 0.26 115.64 111.92 3i1o s THR 50 Ca -0.07 0.12 0.03 0.00 -1.18 0.00 0.00 61.69 60.58 3i1o s THR 50 Cb -0.10 -0.46 -0.02 0.00 1.34 0.00 0.00 72.50 73.26 3i1o s THR 50 CO -0.03 0.05 -0.09 0.68 -0.54 0.00 0.00 174.62 174.70 3i1o s VAL 51 N 1.20 0.63 0.89 2.29 -7.23 -0.22 -4.96 120.40 113.00 3i1o s VAL 51 Ca -0.09 -0.95 -0.12 0.00 -1.81 0.00 0.00 61.98 59.02 3i1o s VAL 51 Cb -0.09 -0.65 0.10 0.00 0.56 0.00 0.00 36.38 36.31 3i1o s VAL 51 CO -0.09 -0.24 0.97 0.18 -0.31 0.00 0.00 175.10 175.61 3i1o n LEU 52 N 1.74 2.70 -0.06 1.32 4.77 -1.26 -0.20 117.00 126.01 3i1o n LEU 52 Ca -0.20 0.44 -0.10 0.00 -0.03 0.00 0.00 56.01 56.12 3i1o n LEU 52 Cb 0.55 -1.42 -0.05 0.00 -2.33 0.00 0.00 43.42 40.18 3i1o n LEU 52 CO 0.22 -2.42 -0.88 0.00 -1.33 0.00 0.00 177.39 172.98 3i1o n ILE 53 N -3.84 0.64 -2.54 -0.08 3.06 -1.26 -4.63 119.36 110.72 3i1o n ILE 53 Ca 0.11 -0.21 -0.40 0.00 -2.50 0.00 0.00 62.75 59.74 3i1o n ILE 53 Cb 0.52 -1.18 -0.05 0.00 0.54 0.00 0.00 39.64 39.47 3i1o n ILE 53 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 3i1o s SER 54 N -5.45 7.34 0.17 9.51 0.15 -1.26 -4.90 113.70 119.25 3i1o s SER 54 Ca -0.16 2.17 0.13 0.00 0.70 0.00 0.00 55.95 58.79 3i1o s SER 54 Cb 0.05 -2.62 0.67 0.00 -1.71 0.00 0.00 66.02 62.41 3i1o s SER 54 CO 0.24 -0.10 1.41 -0.81 1.20 0.00 0.00 173.24 175.17 3i1o n PRO 55 N 1.54 0.08 -3.64 5.44 -0.04 -1.26 -4.61 135.00 132.50 3i1o n PRO 55 Ca -0.00 0.52 -0.06 0.00 -0.04 0.00 0.00 63.50 63.92 3i1o n PRO 55 Cb 0.46 -1.74 -0.07 0.00 -0.04 0.00 0.00 33.50 32.11 3i1o n PRO 55 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3i1o s HIS 56 N -3.27 -0.89 0.00 0.54 5.65 -1.26 -5.14 115.29 110.92 3i1o s HIS 56 Ca 0.00 1.79 0.00 0.00 0.25 0.00 0.00 55.06 57.10 3i1o s HIS 56 Cb 0.05 0.53 0.00 0.00 -1.18 0.00 0.00 32.58 31.97 3i1o s HIS 56 CO 0.16 -0.44 0.00 1.55 -0.65 0.00 0.00 174.74 175.36 3i1o n VAL 57 N 4.03 0.00 -2.78 0.89 3.14 -1.26 -4.93 118.33 117.42 3i1o n VAL 57 Ca -0.19 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.08 3i1o n VAL 57 Cb 0.58 0.00 0.05 0.00 -1.06 0.00 0.00 33.84 33.42 3i1o n VAL 57 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3i1o n ASN 58 N -3.94 -4.51 0.20 6.55 3.02 -1.26 -4.59 115.26 110.73 3i1o n ASN 58 Ca 0.00 -0.48 0.13 0.00 -0.03 0.00 0.00 54.58 54.20 3i1o n ASN 58 Cb 0.00 -3.76 0.30 0.00 -0.61 0.00 0.00 39.78 35.71 3i1o n ASN 58 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 3i1o h LYS 59 N -0.88 0.00 -2.96 3.52 5.09 -1.97 -3.37 116.57 116.00 3i1o h LYS 59 Ca -0.42 0.00 -0.50 0.00 0.09 0.00 0.00 60.65 59.82 3i1o h LYS 59 Cb 1.22 0.00 0.01 0.00 0.10 0.00 0.00 32.23 33.56 3i1o h LYS 59 CO 0.31 0.00 2.78 -0.25 -2.09 0.00 0.00 179.45 180.20 3i1o n ASP 60 N -2.87 6.98 0.00 7.07 9.92 -1.26 -4.33 116.55 132.06 3i1o n ASP 60 Ca 0.04 -2.46 0.00 0.00 -0.53 0.00 0.00 54.79 51.84 3i1o n ASP 60 Cb 0.47 -1.37 0.00 0.00 -0.64 0.00 0.00 41.12 39.57 3i1o n ASP 60 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3i1o n ALA 61 N 3.56 0.07 -1.04 2.24 0.00 -1.26 -5.18 120.51 118.90 3i1o n ALA 61 Ca 0.62 0.00 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3i1o n ALA 61 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.76 3i1o n ALA 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1o n ARG 62 N 0.00 -2.84 -4.38 0.00 1.74 -1.26 -4.97 116.66 104.95 3i1o n ARG 62 Ca 0.00 2.17 -0.34 0.00 -0.77 0.00 0.00 57.85 58.90 3i1o n ARG 62 Cb 0.00 -2.59 -0.11 0.00 -1.02 0.00 0.00 32.46 28.74 3i1o n ARG 62 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3i1o s ASP 63 N -3.92 5.06 -0.10 0.55 -1.08 0.71 -4.87 116.67 113.03 3i1o s ASP 63 Ca 0.00 0.03 -0.06 0.00 -0.52 0.00 0.00 52.55 52.01 3i1o s ASP 63 Cb 0.00 -1.57 -0.04 0.00 -1.46 0.00 0.00 42.92 39.85 3i1o s ASP 63 CO 0.00 0.30 0.14 -1.10 0.52 0.00 0.00 175.17 175.03 3i1o s GLN 64 N -0.39 3.42 0.13 4.34 -1.52 -1.26 -1.06 119.66 123.32 3i1o s GLN 64 Ca 0.07 -0.18 0.02 0.00 -1.95 0.00 0.00 55.36 53.32 3i1o s GLN 64 Cb -0.12 -3.15 -0.04 0.00 -0.22 0.00 0.00 33.01 29.47 3i1o s GLN 64 CO 0.02 0.75 -0.04 0.71 -0.25 0.00 0.00 175.29 176.49 3i1o s TYR 65 N -1.09 1.04 -0.03 0.91 1.51 0.74 -4.95 117.35 115.48 3i1o s TYR 65 Ca 0.17 -0.95 -0.05 0.00 -1.01 0.00 0.00 57.07 55.24 3i1o s TYR 65 Cb -0.12 -0.59 0.01 0.00 -0.11 0.00 0.00 41.96 41.15 3i1o s TYR 65 CO 0.07 -0.17 0.12 -2.00 -1.11 0.00 0.00 175.55 172.46 3i1o s GLU 66 N -3.86 0.23 -0.32 -0.62 2.12 -1.26 -2.07 118.70 112.92 3i1o s GLU 66 Ca 0.17 0.00 -0.01 0.00 0.36 0.00 0.00 54.97 55.49 3i1o s GLU 66 Cb 0.05 0.10 0.13 0.00 0.26 0.00 0.00 34.13 34.67 3i1o s GLU 66 CO -0.01 -0.04 0.23 0.96 -0.54 0.00 0.00 175.26 175.86 3i1o s ILE 67 N -0.34 -0.16 -0.64 -3.70 -4.36 -1.21 -4.96 121.20 105.83 3i1o s ILE 67 Ca -0.04 -0.94 -0.26 0.00 -0.26 0.00 0.00 60.65 59.14 3i1o s ILE 67 Cb -0.03 -0.96 0.04 0.00 1.25 0.00 0.00 42.46 42.76 3i1o s ILE 67 CO 0.00 -0.70 1.14 0.00 0.24 0.00 0.00 174.94 175.63 3i1o s ARG 68 N 1.82 3.30 -1.02 0.37 1.70 -1.26 -0.78 118.95 123.07 3i1o s ARG 68 Ca 0.12 -0.20 -0.16 0.00 -0.47 0.00 0.00 55.73 55.03 3i1o s ARG 68 Cb -0.17 -4.11 0.17 0.00 -0.57 0.00 0.00 34.95 30.27 3i1o s ARG 68 CO -0.22 -1.83 1.18 0.99 -1.08 0.00 0.00 175.30 174.34 3i1o s THR 69 N 4.90 5.07 1.05 4.99 2.01 -1.26 -4.22 115.64 128.17 3i1o s THR 69 Ca 0.34 -2.22 -0.18 0.00 0.31 0.00 0.00 61.69 59.95 3i1o s THR 69 Cb -0.10 -4.77 0.24 0.00 0.01 0.00 0.00 72.50 67.89 3i1o s THR 69 CO 0.18 -1.45 1.31 -1.00 -0.69 0.00 0.00 174.62 172.97 3i1o s HIS 70 N 1.61 1.05 0.08 4.92 3.76 0.03 -3.67 115.29 123.08 3i1o s HIS 70 Ca 0.34 0.25 -0.22 0.00 -0.15 0.00 0.00 55.06 55.28 3i1o s HIS 70 Cb -0.05 -4.12 0.05 0.00 1.11 0.00 0.00 32.58 29.57 3i1o s HIS 70 CO -0.06 -3.10 0.53 -1.17 -0.85 0.00 0.00 174.74 170.09 3i1o s LEU 71 N -6.17 -0.14 0.00 0.89 2.96 -1.25 -2.54 118.68 112.42 3i1o s LEU 71 Ca 0.76 0.07 0.01 0.00 -0.22 0.00 0.00 54.13 54.75 3i1o s LEU 71 Cb -0.03 2.21 -0.00 0.00 0.50 0.00 0.00 46.19 48.87 3i1o s LEU 71 CO 0.54 -0.80 0.04 0.54 -1.32 0.00 0.00 176.35 175.35 3i1o n ARG 72 N 0.13 0.05 0.05 1.98 5.12 -0.33 -4.20 116.66 119.46 3i1o n ARG 72 Ca -0.18 -0.41 0.00 0.00 -1.93 0.00 0.00 57.85 55.33 3i1o n ARG 72 Cb 0.62 0.34 0.00 0.00 -1.16 0.00 0.00 32.46 32.26 3i1o n ARG 72 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 3i1o n LEU 73 N 0.00 -0.47 0.00 0.55 4.77 -1.23 -3.53 117.00 117.09 3i1o n LEU 73 Ca 0.01 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3i1o n LEU 73 Cb 0.08 0.61 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 3i1o n LEU 73 CO 0.04 -0.47 0.00 0.52 -1.33 0.00 0.00 177.39 176.15 3i1o n VAL 74 N -2.76 0.00 -0.48 4.08 0.31 -1.22 -3.16 118.33 115.10 3i1o n VAL 74 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i1o n VAL 74 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3i1o n VAL 74 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3i1o n ASP 75 N 1.85 -3.83 -4.29 4.52 4.64 -1.26 -3.06 116.55 115.12 3i1o n ASP 75 Ca 0.00 0.35 -0.17 0.00 -1.38 0.00 0.00 54.79 53.59 3i1o n ASP 75 Cb 0.00 -0.59 -0.10 0.00 -1.04 0.00 0.00 41.12 39.39 3i1o n ASP 75 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 3i1o s ILE 76 N -1.43 1.43 0.00 5.18 1.01 0.17 -3.78 121.20 123.78 3i1o s ILE 76 Ca 0.00 -2.04 0.00 0.00 0.00 0.00 0.00 60.65 58.61 3i1o s ILE 76 Cb 0.00 -1.85 0.00 0.00 0.01 0.00 0.00 42.46 40.62 3i1o s ILE 76 CO 0.00 -0.61 0.00 0.52 0.00 0.00 0.00 174.94 174.85 3i1o n VAL 77 N -0.09 0.00 -2.92 2.92 0.31 -1.26 -1.95 118.33 115.34 3i1o n VAL 77 Ca -0.11 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.80 3i1o n VAL 77 Cb 0.60 -0.59 -0.05 0.00 -0.91 0.00 0.00 33.84 32.89 3i1o n VAL 77 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3i1o s GLU 78 N -1.82 3.62 0.00 5.55 8.01 -1.26 -2.16 118.70 130.64 3i1o s GLU 78 Ca 0.00 0.19 0.00 0.00 0.01 0.00 0.00 54.97 55.17 3i1o s GLU 78 Cb 0.00 -3.87 0.00 0.00 -4.31 0.00 0.00 34.13 25.95 3i1o s GLU 78 CO 0.00 -1.01 1.04 -2.30 0.01 0.00 0.00 175.26 173.00 3i1o n PRO 79 N 6.69 0.64 -2.75 0.39 -0.02 -1.26 -4.44 135.00 134.26 3i1o n PRO 79 Ca 0.04 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.09 3i1o n PRO 79 Cb 0.48 -1.18 -0.03 0.00 -0.02 0.00 0.00 33.50 32.75 3i1o n PRO 79 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3i1o s THR 80 N 0.60 4.73 0.13 3.45 -4.23 -1.26 -4.82 115.64 114.24 3i1o s THR 80 Ca 0.00 1.84 -0.20 0.00 -1.18 0.00 0.00 61.69 62.15 3i1o s THR 80 Cb 0.00 -4.24 0.00 0.00 1.34 0.00 0.00 72.50 69.60 3i1o s THR 80 CO 0.00 -0.15 1.11 1.21 -0.54 0.00 0.00 174.62 176.25 3i1o n GLU 81 N 6.22 -0.28 -0.25 3.99 0.00 -1.26 -1.40 120.64 127.66 3i1o n GLU 81 Ca 0.10 1.10 -0.01 0.00 0.00 0.00 0.00 57.16 58.34 3i1o n GLU 81 Cb 0.47 -1.61 -0.01 0.00 0.00 0.00 0.00 31.44 30.28 3i1o n GLU 81 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.13 177.49 3i1o n LYS 82 N -4.94 0.51 0.00 5.31 -0.00 -1.26 0.10 118.16 117.88 3i1o n LYS 82 Ca 0.03 -0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.26 3i1o n LYS 82 Cb 0.21 -1.37 0.00 0.00 -0.00 0.00 0.00 35.03 33.87 3i1o n LYS 82 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.40 179.81 3i1o n THR 83 N 1.98 0.00 0.00 0.58 -1.04 -0.49 -4.75 114.28 110.56 3i1o n THR 83 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 3i1o n THR 83 Cb 0.25 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 3i1o n THR 83 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3i1o n VAL 84 N -0.05 0.00 0.30 12.58 0.24 -0.62 -4.49 118.33 126.29 3i1o n VAL 84 Ca 0.00 0.00 0.18 0.00 -2.04 0.00 0.00 64.34 62.48 3i1o n VAL 84 Cb 0.00 -0.29 0.92 0.00 -1.47 0.00 0.00 33.84 33.00 3i1o n VAL 84 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 3i1o h ASP 85 N 0.00 0.00 -2.16 -1.34 1.82 -1.74 0.86 116.42 113.86 3i1o h ASP 85 Ca 0.00 0.00 -0.72 0.00 -0.39 0.00 0.00 57.03 55.92 3i1o h ASP 85 Cb 0.00 0.00 -0.33 0.00 0.68 0.00 0.00 39.33 39.68 3i1o h ASP 85 CO 0.00 0.00 0.39 0.00 -1.61 0.00 0.00 179.24 178.02 3i1o n ALA 86 N -2.03 5.65 0.00 -0.78 0.00 0.28 -3.61 120.51 120.02 3i1o n ALA 86 Ca -0.01 -4.54 0.00 0.00 0.00 0.00 0.00 53.44 48.89 3i1o n ALA 86 Cb 0.31 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 18.18 3i1o n ALA 86 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1o n LEU 87 N -0.22 0.00 0.19 0.00 -0.00 0.11 -3.82 117.00 113.25 3i1o n LEU 87 Ca 0.43 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.49 3i1o n LEU 87 Cb 0.33 0.00 0.52 0.00 -0.00 0.00 0.00 43.42 44.27 3i1o n LEU 87 CO 0.45 0.00 0.99 0.24 -0.00 0.00 0.00 177.39 179.07 3i1o h MET 88 N 0.00 0.10 -0.91 1.96 2.86 0.34 -1.83 114.93 117.45 3i1o h MET 88 Ca 0.00 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.60 3i1o h MET 88 Cb 0.00 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 3i1o h MET 88 CO 0.00 0.17 0.04 -2.13 1.06 0.00 0.00 176.91 176.05 3i1o n ARG 89 N -4.41 1.90 -2.80 1.72 0.63 -1.24 -3.92 116.66 108.55 3i1o n ARG 89 Ca -0.02 -0.84 -0.11 0.00 -0.92 0.00 0.00 57.85 55.96 3i1o n ARG 89 Cb 0.17 -1.62 0.03 0.00 0.45 0.00 0.00 32.46 31.49 3i1o n ARG 89 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 3i1o n LEU 90 N 0.14 0.66 -4.23 6.15 0.00 -0.69 -5.03 117.00 114.01 3i1o n LEU 90 Ca 0.09 -3.99 -0.41 0.00 0.00 0.00 0.00 56.01 51.70 3i1o n LEU 90 Cb 0.58 0.47 -0.03 0.00 0.00 0.00 0.00 43.42 44.44 3i1o n LEU 90 CO 0.10 1.81 0.55 1.51 0.00 0.00 0.00 177.39 181.36 3i1o s ASP 91 N -2.61 6.66 0.00 1.96 3.84 -1.25 -4.71 116.67 120.56 3i1o s ASP 91 Ca 0.29 -3.59 0.00 0.00 -0.00 0.00 0.00 52.55 49.25 3i1o s ASP 91 Cb 0.42 -2.07 0.00 0.00 -1.38 0.00 0.00 42.92 39.89 3i1o s ASP 91 CO -0.01 -0.26 0.00 0.00 -0.00 0.00 0.00 175.17 174.90 3i1o n LEU 92 N 2.62 0.00 -4.45 2.11 -0.00 -1.26 -4.97 117.00 111.05 3i1o n LEU 92 Ca 0.22 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 56.11 3i1o n LEU 92 Cb 0.39 0.00 -0.09 0.00 -0.00 0.00 0.00 43.42 43.71 3i1o n LEU 92 CO 0.41 0.00 1.17 0.00 -0.00 0.00 0.00 177.39 178.97 3i1o n ALA 93 N -1.27 0.36 -1.95 1.47 0.00 -1.26 -4.85 120.51 113.00 3i1o n ALA 93 Ca 0.00 -1.67 -0.14 0.00 0.00 0.00 0.00 53.44 51.63 3i1o n ALA 93 Cb 0.13 -2.67 0.10 0.00 0.00 0.00 0.00 19.45 17.02 3i1o n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1o n ALA 94 N 15.37 -0.49 0.00 0.00 0.00 -1.26 -4.47 120.51 129.66 3i1o n ALA 94 Ca 0.36 -1.14 0.00 0.00 0.00 0.00 0.00 53.44 52.67 3i1o n ALA 94 Cb 0.44 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.94 3i1o n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1o n GLY 95 N -0.12 2.60 3.97 0.00 0.00 -1.26 -5.00 105.19 105.37 3i1o n GLY 95 Ca 0.10 -0.58 -0.21 0.00 0.00 0.00 0.00 46.02 45.33 3i1o n GLY 95 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i1o s VAL 96 N 0.00 2.19 -0.10 1.61 -7.23 -1.26 -5.07 120.40 110.54 3i1o s VAL 96 Ca 0.00 -1.18 -0.14 0.00 -1.81 0.00 0.00 61.98 58.84 3i1o s VAL 96 Cb 0.00 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.52 3i1o s VAL 96 CO 0.00 0.00 0.35 -0.62 -0.31 0.00 0.00 175.10 174.52 3i1o s ASP 97 N -4.44 6.58 -0.48 4.85 -1.08 -1.16 -5.04 116.67 115.90 3i1o s ASP 97 Ca 0.51 0.69 0.05 0.00 -0.52 0.00 0.00 52.55 53.28 3i1o s ASP 97 Cb -0.05 -2.21 0.19 0.00 -1.46 0.00 0.00 42.92 39.39 3i1o s ASP 97 CO 0.32 0.17 0.42 0.52 0.52 0.00 0.00 175.17 177.12 3i1o n VAL 98 N 2.95 -0.34 -3.14 1.11 0.31 -1.26 -3.35 118.33 114.61 3i1o n VAL 98 Ca -0.12 -3.92 -0.39 0.00 -0.01 0.00 0.00 64.34 59.90 3i1o n VAL 98 Cb 0.52 -1.84 -0.06 0.00 -0.91 0.00 0.00 33.84 31.56 3i1o n VAL 98 CO 0.00 0.00 0.00 -1.58 -1.32 0.00 0.00 176.83 173.93 3i1o s GLN 99 N -0.60 4.35 -0.05 5.55 0.74 -1.22 -4.97 119.66 123.47 3i1o s GLN 99 Ca 0.32 0.92 0.04 0.00 0.05 0.00 0.00 55.36 56.69 3i1o s GLN 99 Cb 0.05 -3.20 -0.03 0.00 1.10 0.00 0.00 33.01 30.93 3i1o s GLN 99 CO -0.17 0.58 -0.15 0.42 -0.55 0.00 0.00 175.29 175.42 3i1o s ILE 100 N -1.18 2.96 -0.11 -2.34 1.01 -1.26 -2.28 121.20 118.00 3i1o s ILE 100 Ca 0.34 -0.76 -0.23 0.00 0.00 0.00 0.00 60.65 59.99 3i1o s ILE 100 Cb -0.21 -2.15 0.05 0.00 0.01 0.00 0.00 42.46 40.17 3i1o s ILE 100 CO 0.22 0.59 0.56 -0.44 0.00 0.00 0.00 174.94 175.88 3i1o s SER 101 N -0.71 -0.54 0.00 3.58 0.01 -1.19 -5.01 113.70 109.84 3i1o s SER 101 Ca 0.11 0.76 0.00 0.00 1.31 0.00 0.00 55.95 58.13 3i1o s SER 101 Cb -0.11 0.75 0.00 0.00 0.21 0.00 0.00 66.02 66.87 3i1o s SER 101 CO 0.00 -0.42 0.00 -0.11 0.41 0.00 0.00 173.24 173.13