#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1c s ILE 6 N 0.00 3.39 -0.79 0.55 1.01 -0.91 -4.85 121.20 119.60 3e1c s ILE 6 Ca 0.00 0.25 -0.25 0.00 0.00 0.00 0.00 60.65 60.65 3e1c s ILE 6 Cb 0.00 -3.95 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 3e1c s ILE 6 CO 0.00 -0.89 1.73 -0.13 0.00 0.00 0.00 174.94 175.64 3e1c s ARG 7 N 6.82 2.85 -0.75 2.79 0.52 -1.26 -3.65 118.95 126.27 3e1c s ARG 7 Ca 0.67 -0.10 -0.26 0.00 -0.52 0.00 0.00 55.73 55.52 3e1c s ARG 7 Cb -0.13 -4.73 0.04 0.00 0.52 0.00 0.00 34.95 30.65 3e1c s ARG 7 CO 0.22 -2.76 1.24 0.42 0.02 0.00 0.00 175.30 174.43 3e1c s ILE 8 N 8.20 3.85 -1.16 1.52 1.01 -0.15 -4.63 121.20 129.83 3e1c s ILE 8 Ca 0.59 0.17 -0.19 0.00 0.00 0.00 0.00 60.65 61.22 3e1c s ILE 8 Cb -0.08 -4.89 -0.04 0.00 0.01 0.00 0.00 42.46 37.46 3e1c s ILE 8 CO 0.08 -1.80 1.97 0.54 0.00 0.00 0.00 174.94 175.74 3e1c n ARG 9 N 9.03 2.28 -1.67 2.79 1.74 -0.51 -0.58 116.66 129.73 3e1c n ARG 9 Ca 0.04 -2.50 -0.45 0.00 -0.77 0.00 0.00 57.85 54.17 3e1c n ARG 9 Cb 0.49 -3.31 -0.04 0.00 -1.02 0.00 0.00 32.46 28.57 3e1c n ARG 9 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3e1c n LEU 10 N 8.67 3.20 -3.72 0.55 4.77 -0.78 -4.35 117.00 125.32 3e1c n LEU 10 Ca 0.49 1.09 -0.12 0.00 -0.03 0.00 0.00 56.01 57.44 3e1c n LEU 10 Cb 0.42 -1.44 -0.13 0.00 -2.33 0.00 0.00 43.42 39.95 3e1c n LEU 10 CO 0.87 -0.26 -0.08 -1.59 -1.33 0.00 0.00 177.39 174.99 3e1c s LYS 11 N 0.74 0.25 0.05 3.23 -2.85 -0.19 -1.26 119.74 119.72 3e1c s LYS 11 Ca 0.77 0.58 0.04 0.00 -1.00 0.00 0.00 55.97 56.36 3e1c s LYS 11 Cb -0.66 -0.09 -0.02 0.00 -2.06 0.00 0.00 37.83 34.99 3e1c s LYS 11 CO 0.39 -0.16 -0.12 0.00 0.10 0.00 0.00 175.35 175.56 3e1c s ALA 12 N 1.26 0.98 0.65 0.59 0.00 -1.00 -3.08 121.76 121.15 3e1c s ALA 12 Ca -0.09 -0.86 0.36 0.00 0.00 0.00 0.00 51.96 51.37 3e1c s ALA 12 Cb -0.10 -0.08 2.00 0.00 0.00 0.00 0.00 23.12 24.95 3e1c s ALA 12 CO -0.09 0.13 2.18 0.74 0.00 0.00 0.00 175.76 178.71 3e1c h PHE 13 N 4.58 0.00 -3.85 0.00 -1.00 -1.93 -2.59 116.94 112.15 3e1c h PHE 13 Ca -0.38 0.00 -0.26 0.00 2.81 0.00 0.00 57.97 60.14 3e1c h PHE 13 Cb 1.19 0.00 -0.26 0.00 3.61 0.00 0.00 35.95 40.49 3e1c h PHE 13 CO 0.60 0.00 -0.73 0.34 -1.61 0.00 0.00 178.31 176.91 3e1c s ASP 14 N -5.15 0.33 0.17 2.17 -1.08 -1.26 -2.56 116.67 109.29 3e1c s ASP 14 Ca -0.04 -0.17 -0.17 0.00 -0.52 0.00 0.00 52.55 51.64 3e1c s ASP 14 Cb 0.12 -0.00 0.11 0.00 -1.46 0.00 0.00 42.92 41.69 3e1c s ASP 14 CO 0.41 -0.05 1.65 -0.74 0.52 0.00 0.00 175.17 176.96 3e1c h HIS 15 N 5.68 -0.34 -0.69 -5.34 -0.00 -1.91 -2.52 115.15 110.03 3e1c h HIS 15 Ca -0.28 0.04 0.15 0.00 -0.00 0.00 0.00 60.37 60.29 3e1c h HIS 15 Cb 1.20 0.21 -0.13 0.00 -0.00 0.00 0.00 27.41 28.70 3e1c h HIS 15 CO 0.48 -0.23 -0.11 0.54 -0.00 0.00 0.00 177.93 178.60 3e1c n ARG 16 N -5.35 -0.06 -0.04 5.26 1.74 -1.26 -2.13 116.66 114.81 3e1c n ARG 16 Ca 0.03 1.06 -0.08 0.00 -0.77 0.00 0.00 57.85 58.09 3e1c n ARG 16 Cb 0.26 -1.62 -0.14 0.00 -1.02 0.00 0.00 32.46 29.94 3e1c n ARG 16 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3e1c n LEU 17 N -5.07 0.53 0.08 0.55 7.99 -0.96 -3.48 117.00 116.64 3e1c n LEU 17 Ca 0.13 0.25 -0.05 0.00 -0.01 0.00 0.00 56.01 56.33 3e1c n LEU 17 Cb 0.40 0.28 0.15 0.00 -0.11 0.00 0.00 43.42 44.14 3e1c n LEU 17 CO -0.07 0.39 0.53 -0.29 -1.51 0.00 0.00 177.39 176.44 3e1c h ILE 18 N 0.00 1.35 0.17 -0.08 2.10 -1.47 -3.02 117.51 116.57 3e1c h ILE 18 Ca -0.36 -1.81 -0.00 0.00 1.08 0.00 0.00 64.86 63.77 3e1c h ILE 18 Cb 2.03 1.87 -0.01 0.00 -1.09 0.00 0.00 36.82 39.62 3e1c h ILE 18 CO 0.06 0.54 -0.13 0.44 -1.08 0.00 0.00 178.15 177.98 3e1c h ASP 19 N 0.22 -0.33 -1.01 2.19 3.45 -1.57 0.52 116.42 119.89 3e1c h ASP 19 Ca 0.00 0.03 0.31 0.00 0.43 0.00 0.00 57.03 57.80 3e1c h ASP 19 Cb 1.01 0.11 -0.14 0.00 -0.56 0.00 0.00 39.33 39.74 3e1c h ASP 19 CO 0.08 -0.20 0.58 1.56 -1.57 0.00 0.00 179.24 179.69 3e1c h GLN 20 N -0.31 0.36 0.03 3.56 4.20 -1.69 -3.18 115.11 118.09 3e1c h GLN 20 Ca -0.01 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3e1c h GLN 20 Cb 0.27 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 27.97 3e1c h GLN 20 CO -0.01 0.24 -0.02 0.00 -0.67 0.00 0.00 178.83 178.38 3e1c h ALA 21 N 1.82 -0.18 -0.71 3.87 0.00 -1.10 -3.41 119.26 119.54 3e1c h ALA 21 Ca 0.72 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.73 3e1c h ALA 21 Cb 1.60 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.36 3e1c h ALA 21 CO -0.57 -0.18 0.47 0.00 0.00 0.00 0.00 179.25 178.97 3e1c h THR 22 N -0.21 0.88 0.00 0.00 1.03 -1.01 -2.32 112.91 111.27 3e1c h THR 22 Ca -0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 66.41 66.22 3e1c h THR 22 Cb 0.04 0.33 0.00 0.00 -1.07 0.00 0.00 68.15 67.44 3e1c h THR 22 CO 0.01 0.09 0.00 0.00 -0.01 0.00 0.00 175.52 175.61 3e1c h ALA 23 N 1.65 1.00 0.19 0.00 0.00 -1.79 -1.21 119.26 119.10 3e1c h ALA 23 Ca 0.33 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.89 3e1c h ALA 23 Cb 0.62 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.42 3e1c h ALA 23 CO -0.11 0.00 -1.74 0.93 0.00 0.00 0.00 179.25 178.33 3e1c h GLU 24 N 0.00 0.40 0.45 0.00 5.08 -1.65 -3.29 114.58 115.58 3e1c h GLU 24 Ca 0.00 -0.69 -0.02 0.00 -1.00 0.00 0.00 59.36 57.65 3e1c h GLU 24 Cb 0.29 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3e1c h GLU 24 CO 0.00 1.33 -0.22 0.82 -1.00 0.00 0.00 179.01 179.94 3e1c h ILE 25 N 0.10 0.56 0.00 3.13 2.04 -1.32 0.46 117.51 122.48 3e1c h ILE 25 Ca -0.34 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.43 3e1c h ILE 25 Cb 2.10 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 3e1c h ILE 25 CO 0.18 0.02 0.00 1.33 0.00 0.00 0.00 178.15 179.68 3e1c n VAL 26 N -5.33 1.52 -0.02 1.67 0.24 -0.79 -1.62 118.33 114.00 3e1c n VAL 26 Ca -0.11 0.59 -0.02 0.00 -2.04 0.00 0.00 64.34 62.76 3e1c n VAL 26 Cb 0.27 -1.58 -0.01 0.00 -1.47 0.00 0.00 33.84 31.05 3e1c n VAL 26 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 3e1c n GLU 27 N -1.85 0.16 -0.10 7.34 0.00 -0.94 -4.43 120.64 120.81 3e1c n GLU 27 Ca -0.00 0.26 -0.08 0.00 0.00 0.00 0.00 57.16 57.33 3e1c n GLU 27 Cb 0.03 -0.98 -0.02 0.00 0.00 0.00 0.00 31.44 30.47 3e1c n GLU 27 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 3e1c h THR 28 N -0.33 0.24 -0.05 6.31 1.35 0.10 -2.38 112.91 118.15 3e1c h THR 28 Ca 0.00 0.00 -0.05 0.00 -0.55 0.00 0.00 66.41 65.81 3e1c h THR 28 Cb 0.22 0.24 -0.01 0.00 -1.73 0.00 0.00 68.15 66.87 3e1c h THR 28 CO 0.00 0.00 -0.19 0.00 -0.25 0.00 0.00 175.52 175.08 3e1c h ALA 29 N 0.69 1.59 0.00 6.62 0.00 -1.50 -3.34 119.26 123.32 3e1c h ALA 29 Ca 0.16 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3e1c h ALA 29 Cb 0.54 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3e1c h ALA 29 CO -0.50 0.30 -0.28 1.17 0.00 0.00 0.00 179.25 179.94 3e1c n LYS 30 N -4.27 0.18 0.14 0.00 4.81 -0.89 -4.21 118.16 113.91 3e1c n LYS 30 Ca -0.02 0.10 0.16 0.00 -0.87 0.00 0.00 58.31 57.68 3e1c n LYS 30 Cb 0.28 -1.66 0.53 0.00 0.02 0.00 0.00 35.03 34.20 3e1c n LYS 30 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3e1c h ARG 31 N 0.00 0.00 0.00 1.64 3.08 -1.69 -2.86 114.38 114.55 3e1c h ARG 31 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3e1c h ARG 31 Cb 0.66 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.71 3e1c h ARG 31 CO 0.00 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.15 3e1c n THR 32 N -3.11 0.00 0.00 2.04 -2.24 -1.26 -5.11 114.28 104.60 3e1c n THR 32 Ca 0.07 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.85 3e1c n THR 32 Cb 0.85 1.15 0.00 0.00 -2.10 0.00 0.00 70.33 70.23 3e1c n THR 32 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3e1c n GLY 33 N 0.00 1.63 0.00 3.38 0.00 -1.08 -4.93 105.19 104.19 3e1c n GLY 33 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3e1c n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e1c n ALA 34 N -3.00 0.00 -2.08 4.61 0.00 -1.26 -4.81 120.51 113.97 3e1c n ALA 34 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 3e1c n ALA 34 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 3e1c n ALA 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3e1c s GLN 35 N 0.00 2.54 -0.26 0.00 0.74 -1.26 -4.71 119.66 116.71 3e1c s GLN 35 Ca 0.00 -1.06 -0.29 0.00 0.05 0.00 0.00 55.36 54.06 3e1c s GLN 35 Cb 0.00 -5.22 -0.03 0.00 1.10 0.00 0.00 33.01 28.86 3e1c s GLN 35 CO 0.00 -3.86 1.73 0.08 -0.55 0.00 0.00 175.29 172.69 3e1c s VAL 36 N 10.74 3.55 0.70 1.34 1.01 -1.26 -4.89 120.40 131.58 3e1c s VAL 36 Ca 0.68 0.59 -0.15 0.00 0.00 0.00 0.00 61.98 63.10 3e1c s VAL 36 Cb -0.02 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.76 3e1c s VAL 36 CO 0.11 -0.33 1.19 -0.13 0.00 0.00 0.00 175.10 175.94 3e1c s ARG 37 N 5.15 2.38 0.00 2.72 1.81 -1.14 -4.73 118.95 125.14 3e1c s ARG 37 Ca 0.77 1.70 0.00 0.00 -1.72 0.00 0.00 55.73 56.48 3e1c s ARG 37 Cb -0.25 -1.87 0.00 0.00 -0.45 0.00 0.00 34.95 32.38 3e1c s ARG 37 CO 0.32 -1.64 0.00 0.41 -0.68 0.00 0.00 175.30 173.71 3e1c n GLY 38 N 0.24 0.92 0.01 -3.53 0.00 -1.23 -3.59 105.19 98.00 3e1c n GLY 38 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.25 3e1c n GLY 38 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3e1c n PRO 39 N 0.00 0.13 -2.69 1.61 -0.04 -1.26 -4.47 135.00 128.28 3e1c n PRO 39 Ca 0.00 -0.03 -0.43 0.00 -0.04 0.00 0.00 63.50 63.00 3e1c n PRO 39 Cb 0.00 -1.51 -0.02 0.00 -0.04 0.00 0.00 33.50 31.92 3e1c n PRO 39 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 3e1c s ILE 40 N -3.10 4.60 0.73 0.52 -4.36 -1.26 -4.88 121.20 113.45 3e1c s ILE 40 Ca 0.05 1.74 -0.11 0.00 -0.26 0.00 0.00 60.65 62.07 3e1c s ILE 40 Cb 0.16 -4.34 0.03 0.00 1.25 0.00 0.00 42.46 39.55 3e1c s ILE 40 CO 0.85 -0.36 1.09 -2.16 0.24 0.00 0.00 174.94 174.61 3e1c s PRO 41 N 3.41 2.67 0.38 0.37 0.04 -1.26 -2.54 135.00 138.08 3e1c s PRO 41 Ca 0.43 0.55 0.08 0.00 0.04 0.00 0.00 61.00 62.09 3e1c s PRO 41 Cb -0.13 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 3e1c s PRO 41 CO 0.12 -1.18 0.15 -0.51 0.04 0.00 0.00 177.00 175.62 3e1c s LEU 42 N -5.48 3.14 -0.97 -3.56 2.01 -0.83 -4.92 118.68 108.07 3e1c s LEU 42 Ca 0.59 -0.99 -0.24 0.00 0.01 0.00 0.00 54.13 53.50 3e1c s LEU 42 Cb -0.12 -1.51 -0.21 0.00 0.01 0.00 0.00 46.19 44.36 3e1c s LEU 42 CO 0.53 -0.44 2.03 -2.65 1.01 0.00 0.00 176.35 176.82 3e1c n PRO 43 N -1.18 0.10 -2.13 1.29 -0.02 -1.26 -4.75 135.00 127.06 3e1c n PRO 43 Ca -0.02 -1.49 -0.43 0.00 -2.02 0.00 0.00 63.50 59.55 3e1c n PRO 43 Cb 0.63 -3.64 -0.03 0.00 -0.02 0.00 0.00 33.50 30.45 3e1c n PRO 43 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3e1c s THR 44 N 15.63 3.76 -1.42 3.45 2.01 -1.26 -4.91 115.64 132.89 3e1c s THR 44 Ca 0.75 0.89 -0.09 0.00 0.31 0.00 0.00 61.69 63.54 3e1c s THR 44 Cb -0.05 -3.66 0.06 0.00 0.01 0.00 0.00 72.50 68.85 3e1c s THR 44 CO 0.17 -0.18 2.39 0.54 -0.69 0.00 0.00 174.62 176.85 3e1c n ARG 45 N 7.29 3.78 0.00 4.92 5.12 -0.29 -4.90 116.66 132.57 3e1c n ARG 45 Ca 0.17 -2.97 0.00 0.00 -1.93 0.00 0.00 57.85 53.13 3e1c n ARG 45 Cb 0.44 -2.88 0.00 0.00 -1.16 0.00 0.00 32.46 28.87 3e1c n ARG 45 CO 0.00 0.00 0.00 1.63 -1.93 0.00 0.00 177.63 177.33 3e1c n LYS 46 N 3.60 0.00 -2.18 5.56 5.02 -1.18 -4.36 118.16 124.62 3e1c n LYS 46 Ca 0.59 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.61 3e1c n LYS 46 Cb 0.30 -1.28 0.05 0.00 -0.02 0.00 0.00 35.03 34.08 3e1c n LYS 46 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3e1c s GLU 47 N 2.14 2.55 -0.24 1.97 2.02 -1.25 -4.60 118.70 121.29 3e1c s GLU 47 Ca 0.00 0.01 -0.09 0.00 0.02 0.00 0.00 54.97 54.91 3e1c s GLU 47 Cb 0.00 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 32.03 3e1c s GLU 47 CO 0.00 -1.05 0.13 1.03 0.02 0.00 0.00 175.26 175.39 3e1c s ARG 48 N -5.22 3.95 -0.09 1.61 1.81 -1.26 -1.75 118.95 118.00 3e1c s ARG 48 Ca 0.58 -0.34 0.05 0.00 -1.72 0.00 0.00 55.73 54.30 3e1c s ARG 48 Cb -0.11 -3.46 -0.00 0.00 -0.45 0.00 0.00 34.95 30.93 3e1c s ARG 48 CO 0.47 0.00 -0.24 -0.06 -0.68 0.00 0.00 175.30 174.78 3e1c s PHE 49 N 1.19 2.52 -0.14 -0.53 0.08 -0.18 -5.00 117.98 115.91 3e1c s PHE 49 Ca 0.06 -0.94 -0.01 0.00 0.12 0.00 0.00 56.93 56.16 3e1c s PHE 49 Cb -0.14 -1.67 0.04 0.00 -0.57 0.00 0.00 43.02 40.67 3e1c s PHE 49 CO 0.05 -0.35 -0.03 0.95 -0.10 0.00 0.00 175.22 175.74 3e1c s THR 50 N 0.17 0.79 -0.03 0.64 -4.23 -1.26 -1.93 115.64 109.78 3e1c s THR 50 Ca -0.14 -0.35 0.07 0.00 -1.18 0.00 0.00 61.69 60.09 3e1c s THR 50 Cb -0.17 -0.99 -0.02 0.00 1.34 0.00 0.00 72.50 72.66 3e1c s THR 50 CO 0.07 0.15 -0.24 0.54 -0.54 0.00 0.00 174.62 174.60 3e1c s VAL 51 N 1.78 2.22 -0.61 2.29 0.11 -1.26 -5.00 120.40 119.93 3e1c s VAL 51 Ca 0.02 -1.04 -0.26 0.00 -2.93 0.00 0.00 61.98 57.78 3e1c s VAL 51 Cb -0.14 -1.79 0.04 0.00 -1.53 0.00 0.00 36.38 32.96 3e1c s VAL 51 CO -0.07 0.58 1.08 -0.22 -3.33 0.00 0.00 175.10 173.14 3e1c s LEU 52 N -0.57 3.77 -0.21 2.54 2.96 -1.26 -3.69 118.68 122.22 3e1c s LEU 52 Ca 0.08 -0.34 0.13 0.00 -0.22 0.00 0.00 54.13 53.79 3e1c s LEU 52 Cb -0.11 -2.81 0.42 0.00 0.50 0.00 0.00 46.19 44.20 3e1c s LEU 52 CO -0.00 -1.45 1.29 2.30 -1.32 0.00 0.00 176.35 177.16 3e1c n ILE 53 N 6.33 2.23 -2.19 6.68 -0.00 -1.25 -5.08 119.36 126.07 3e1c n ILE 53 Ca 0.03 -2.74 -0.43 0.00 -0.00 0.00 0.00 62.75 59.61 3e1c n ILE 53 Cb 0.48 -0.26 -0.02 0.00 -0.00 0.00 0.00 39.64 39.83 3e1c n ILE 53 CO 0.00 0.00 0.00 -0.94 -0.00 0.00 0.00 176.55 175.61 3e1c s SER 54 N -2.84 6.42 0.00 7.28 1.04 -1.24 -4.91 113.70 119.46 3e1c s SER 54 Ca 0.39 1.47 0.07 0.00 0.48 0.00 0.00 55.95 58.36 3e1c s SER 54 Cb 0.35 -2.53 0.40 0.00 0.10 0.00 0.00 66.02 64.34 3e1c s SER 54 CO -0.01 -1.25 1.03 -0.81 0.98 0.00 0.00 173.24 173.19 3e1c n PRO 55 N 7.63 0.15 -3.83 4.02 -0.04 -1.26 -4.55 135.00 137.13 3e1c n PRO 55 Ca 0.18 0.14 -0.09 0.00 -0.04 0.00 0.00 63.50 63.69 3e1c n PRO 55 Cb 0.46 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.37 3e1c n PRO 55 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 3e1c s HIS 56 N -2.38 0.05 -1.95 0.54 5.65 -1.26 -5.08 115.29 110.87 3e1c s HIS 56 Ca 0.08 -0.41 0.00 0.00 0.25 0.00 0.00 55.06 54.98 3e1c s HIS 56 Cb 0.05 0.29 0.00 0.00 -1.18 0.00 0.00 32.58 31.74 3e1c s HIS 56 CO 0.10 -0.91 0.26 1.55 -0.65 0.00 0.00 174.74 175.10 3e1c n VAL 57 N -0.33 0.00 -1.08 0.89 3.14 -1.26 -4.93 118.33 114.76 3e1c n VAL 57 Ca -0.08 0.00 -0.30 0.00 -2.96 0.00 0.00 64.34 61.00 3e1c n VAL 57 Cb 0.62 -0.77 0.24 0.00 -1.06 0.00 0.00 33.84 32.88 3e1c n VAL 57 CO 0.00 0.00 0.00 0.20 -6.46 0.00 0.00 176.83 170.57 3e1c s ASN 58 N -1.96 0.81 0.28 6.55 0.02 -1.26 -4.97 114.94 114.40 3e1c s ASN 58 Ca 0.00 0.60 -0.30 0.00 -1.02 0.00 0.00 52.86 52.13 3e1c s ASN 58 Cb 0.00 -0.81 -0.13 0.00 0.02 0.00 0.00 41.25 40.33 3e1c s ASN 58 CO 0.00 -4.19 1.40 1.17 0.02 0.00 0.00 177.10 175.50 3e1c n LYS 59 N -4.80 2.15 0.00 -0.60 4.81 -1.26 -4.75 118.16 113.71 3e1c n LYS 59 Ca 0.14 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 3e1c n LYS 59 Cb 0.60 -2.41 0.00 0.00 0.02 0.00 0.00 35.03 33.23 3e1c n LYS 59 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 3e1c n ASP 60 N 1.76 0.00 -3.95 3.14 2.03 -1.26 -4.95 116.55 113.32 3e1c n ASP 60 Ca 0.09 0.00 -0.31 0.00 0.52 0.00 0.00 54.79 55.09 3e1c n ASP 60 Cb 0.33 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.73 3e1c n ASP 60 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3e1c n ALA 61 N 8.33 -2.05 -3.43 -1.67 0.00 -1.26 -4.82 120.51 115.60 3e1c n ALA 61 Ca 0.00 -0.40 -0.31 0.00 0.00 0.00 0.00 53.44 52.72 3e1c n ALA 61 Cb 0.00 -1.54 -0.07 0.00 0.00 0.00 0.00 19.45 17.84 3e1c n ALA 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3e1c n ARG 62 N -3.80 2.84 -1.54 0.00 1.74 -1.26 -3.59 116.66 111.04 3e1c n ARG 62 Ca -0.11 -4.61 -0.31 0.00 -0.77 0.00 0.00 57.85 52.05 3e1c n ARG 62 Cb 0.41 -2.33 -0.06 0.00 -1.02 0.00 0.00 32.46 29.46 3e1c n ARG 62 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3e1c n ASP 63 N 1.26 1.77 -4.58 0.55 2.03 -1.24 -4.69 116.55 111.65 3e1c n ASP 63 Ca 0.27 -0.64 -0.41 0.00 0.52 0.00 0.00 54.79 54.53 3e1c n ASP 63 Cb 0.38 -1.47 -0.03 0.00 -0.72 0.00 0.00 41.12 39.29 3e1c n ASP 63 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 3e1c s GLN 64 N 8.47 3.06 0.36 -0.67 0.74 -1.26 -4.45 119.66 125.91 3e1c s GLN 64 Ca 1.04 0.95 -0.12 0.00 0.05 0.00 0.00 55.36 57.28 3e1c s GLN 64 Cb -0.34 -4.25 -0.07 0.00 1.10 0.00 0.00 33.01 29.45 3e1c s GLN 64 CO 0.27 -2.20 0.74 0.71 -0.55 0.00 0.00 175.29 174.25 3e1c s TYR 65 N 7.58 3.43 0.55 1.67 1.51 -0.81 -4.93 117.35 126.35 3e1c s TYR 65 Ca 0.70 1.07 0.02 0.00 -1.01 0.00 0.00 57.07 57.86 3e1c s TYR 65 Cb -0.16 -2.45 0.04 0.00 -0.11 0.00 0.00 41.96 39.28 3e1c s TYR 65 CO 0.27 -0.01 0.77 -1.83 -1.11 0.00 0.00 175.55 173.65 3e1c s GLU 66 N -3.49 2.49 0.16 -0.62 -1.05 -1.26 -1.02 118.70 113.92 3e1c s GLU 66 Ca 0.52 -0.90 -0.08 0.00 -0.15 0.00 0.00 54.97 54.36 3e1c s GLU 66 Cb -0.10 -2.51 -0.01 0.00 -0.44 0.00 0.00 34.13 31.06 3e1c s GLU 66 CO 0.26 -0.73 0.24 -1.50 0.95 0.00 0.00 175.26 174.49 3e1c s ILE 67 N -2.74 0.07 -0.24 1.83 1.10 -0.72 -4.89 121.20 115.62 3e1c s ILE 67 Ca 0.58 -1.47 -0.15 0.00 -0.51 0.00 0.00 60.65 59.10 3e1c s ILE 67 Cb -0.10 -1.86 -0.10 0.00 0.15 0.00 0.00 42.46 40.55 3e1c s ILE 67 CO 0.38 -0.33 -0.36 0.54 -2.11 0.00 0.00 174.94 173.07 3e1c n ARG 68 N -0.19 0.57 -3.31 3.50 5.12 -1.25 -3.82 116.66 117.27 3e1c n ARG 68 Ca -0.07 0.24 -0.20 0.00 -1.93 0.00 0.00 57.85 55.89 3e1c n ARG 68 Cb 0.63 -1.46 0.02 0.00 -1.16 0.00 0.00 32.46 30.49 3e1c n ARG 68 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3e1c n THR 69 N -4.32 -3.90 -4.02 0.55 -1.04 -1.06 -3.10 114.28 97.39 3e1c n THR 69 Ca -0.40 0.38 -0.31 0.00 -2.04 0.00 0.00 64.05 61.68 3e1c n THR 69 Cb 0.75 -3.68 -0.16 0.00 -1.82 0.00 0.00 70.33 65.42 3e1c n THR 69 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 3e1c s HIS 70 N -1.34 2.37 0.09 -1.42 5.04 -0.98 -1.14 115.29 117.91 3e1c s HIS 70 Ca 0.20 -1.45 0.10 0.00 -1.54 0.00 0.00 55.06 52.38 3e1c s HIS 70 Cb -0.02 -1.66 -0.03 0.00 0.04 0.00 0.00 32.58 30.90 3e1c s HIS 70 CO 0.51 -0.72 -0.27 -0.51 -2.34 0.00 0.00 174.74 171.41 3e1c s LEU 71 N 1.42 2.24 0.00 8.88 1.02 -1.26 -2.38 118.68 128.59 3e1c s LEU 71 Ca 0.02 -0.67 0.05 0.00 0.02 0.00 0.00 54.13 53.55 3e1c s LEU 71 Cb -0.14 -1.26 -0.02 0.00 0.02 0.00 0.00 46.19 44.79 3e1c s LEU 71 CO -0.10 0.22 0.17 0.54 0.02 0.00 0.00 176.35 177.20 3e1c n ARG 72 N 1.36 0.48 -3.76 1.70 1.74 -0.39 -1.96 116.66 115.84 3e1c n ARG 72 Ca -0.17 -2.67 -0.27 0.00 -0.77 0.00 0.00 57.85 53.97 3e1c n ARG 72 Cb 0.52 1.81 -0.17 0.00 -1.02 0.00 0.00 32.46 33.61 3e1c n ARG 72 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3e1c s LEU 73 N 0.00 1.13 -0.19 0.55 1.43 -1.05 -1.87 118.68 118.68 3e1c s LEU 73 Ca 0.24 -0.68 -0.23 0.00 -1.03 0.00 0.00 54.13 52.43 3e1c s LEU 73 Cb 0.01 -0.61 -0.02 0.00 0.03 0.00 0.00 46.19 45.61 3e1c s LEU 73 CO 0.17 -0.27 0.73 -0.69 0.23 0.00 0.00 176.35 176.52 3e1c s VAL 74 N 1.85 4.95 -0.10 -1.59 1.01 0.25 -3.54 120.40 123.23 3e1c s VAL 74 Ca 0.00 1.41 0.02 0.00 0.00 0.00 0.00 61.98 63.41 3e1c s VAL 74 Cb -0.16 -4.04 0.02 0.00 0.00 0.00 0.00 36.38 32.19 3e1c s VAL 74 CO -0.07 0.06 -0.13 -0.62 0.00 0.00 0.00 175.10 174.33 3e1c s ASP 75 N 1.19 2.21 -0.04 3.32 2.15 -1.24 -0.98 116.67 123.29 3e1c s ASP 75 Ca 0.33 -0.37 0.07 0.00 0.43 0.00 0.00 52.55 53.01 3e1c s ASP 75 Cb -0.16 -0.98 -0.01 0.00 -0.30 0.00 0.00 42.92 41.46 3e1c s ASP 75 CO 0.11 0.00 -0.25 0.27 -0.17 0.00 0.00 175.17 175.14 3e1c s ILE 76 N 0.99 1.99 0.23 4.11 -4.36 -1.24 -2.89 121.20 120.02 3e1c s ILE 76 Ca -0.07 -1.05 -0.05 0.00 -0.26 0.00 0.00 60.65 59.21 3e1c s ILE 76 Cb -0.15 -1.67 0.10 0.00 1.25 0.00 0.00 42.46 42.00 3e1c s ILE 76 CO -0.01 0.56 1.72 1.62 0.24 0.00 0.00 174.94 179.07 3e1c h VAL 77 N 4.81 1.25 -3.32 8.37 3.04 -1.90 -0.04 116.25 128.47 3e1c h VAL 77 Ca -0.37 -1.03 -0.07 0.00 -1.01 0.00 0.00 66.70 64.21 3e1c h VAL 77 Cb 1.15 0.78 -0.15 0.00 -2.01 0.00 0.00 31.29 31.06 3e1c h VAL 77 CO 0.47 0.37 -0.17 -1.61 -1.01 0.00 0.00 177.57 175.63 3e1c s GLU 78 N -5.07 0.93 0.00 4.17 2.02 -1.26 -3.19 118.70 116.31 3e1c s GLU 78 Ca -0.11 -0.59 -0.03 0.00 0.02 0.00 0.00 54.97 54.27 3e1c s GLU 78 Cb 0.14 0.40 -0.13 0.00 0.10 0.00 0.00 34.13 34.65 3e1c s GLU 78 CO 0.83 -0.33 2.36 -0.35 0.02 0.00 0.00 175.26 177.79 3e1c n PRO 79 N 0.22 1.23 -1.82 0.39 -0.04 -1.26 -4.87 135.00 128.85 3e1c n PRO 79 Ca -0.17 -0.49 -0.20 0.00 -0.04 0.00 0.00 63.50 62.60 3e1c n PRO 79 Cb 0.61 -1.62 -0.07 0.00 -0.04 0.00 0.00 33.50 32.39 3e1c n PRO 79 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3e1c s THR 80 N 1.18 3.25 0.44 0.52 2.01 -1.26 -4.89 115.64 116.89 3e1c s THR 80 Ca 0.33 -0.29 0.10 0.00 0.31 0.00 0.00 61.69 62.14 3e1c s THR 80 Cb 0.16 -3.78 0.25 0.00 0.01 0.00 0.00 72.50 69.14 3e1c s THR 80 CO 0.00 -0.49 2.06 1.05 -0.69 0.00 0.00 174.62 176.55 3e1c h GLU 81 N 11.54 0.34 0.00 4.92 9.09 -1.95 -0.44 114.58 138.08 3e1c h GLU 81 Ca 0.07 -0.03 0.00 0.00 0.05 0.00 0.00 59.36 59.45 3e1c h GLU 81 Cb 0.99 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 28.02 3e1c h GLU 81 CO 1.11 0.26 0.00 0.36 0.05 0.00 0.00 179.01 180.79 3e1c n LYS 82 N -4.46 0.11 -0.05 1.06 2.85 -1.26 -2.20 118.16 114.20 3e1c n LYS 82 Ca 0.01 0.20 -0.08 0.00 -1.05 0.00 0.00 58.31 57.38 3e1c n LYS 82 Cb 0.10 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 32.93 3e1c n LYS 82 CO 0.00 0.00 0.00 -2.37 -0.05 0.00 0.00 177.40 174.98 3e1c n THR 83 N -1.39 0.63 0.42 0.58 5.66 -0.36 -4.83 114.28 114.98 3e1c n THR 83 Ca 0.05 -0.23 0.12 0.00 -3.05 0.00 0.00 64.05 60.94 3e1c n THR 83 Cb 0.14 -0.99 0.16 0.00 -1.55 0.00 0.00 70.33 68.09 3e1c n THR 83 CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 175.07 171.65 3e1c h VAL 84 N -0.06 0.00 -0.82 1.08 -1.51 -1.09 -3.39 116.25 110.47 3e1c h VAL 84 Ca -0.25 -0.68 0.11 0.00 -1.23 0.00 0.00 66.70 64.65 3e1c h VAL 84 Cb 1.36 1.34 -0.06 0.00 -2.13 0.00 0.00 31.29 31.80 3e1c h VAL 84 CO -0.06 0.00 0.53 -0.78 -1.23 0.00 0.00 177.57 176.04 3e1c h ASP 85 N 0.00 0.64 -0.84 4.19 1.82 -1.68 -2.91 116.42 117.63 3e1c h ASP 85 Ca 0.00 0.02 0.08 0.00 -0.39 0.00 0.00 57.03 56.75 3e1c h ASP 85 Cb 0.84 -0.11 -0.07 0.00 0.68 0.00 0.00 39.33 40.67 3e1c h ASP 85 CO 0.00 0.37 0.50 0.00 -1.61 0.00 0.00 179.24 178.50 3e1c h ALA 86 N 1.60 1.19 0.00 -0.78 0.00 -1.86 -0.74 119.26 118.67 3e1c h ALA 86 Ca 0.39 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 3e1c h ALA 86 Cb 0.54 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3e1c h ALA 86 CO -0.16 0.16 -0.04 1.37 0.00 0.00 0.00 179.25 180.59 3e1c h LEU 87 N 0.86 0.00 0.00 0.00 8.10 -1.84 -3.00 115.31 119.43 3e1c h LEU 87 Ca 0.39 0.00 -0.29 0.00 0.11 0.00 0.00 57.88 58.10 3e1c h LEU 87 Cb 0.30 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.47 3e1c h LEU 87 CO -0.22 0.04 -1.94 0.23 -4.11 0.00 0.00 178.44 172.44 3e1c n MET 88 N -3.17 0.65 0.23 0.17 2.81 -0.39 -3.47 117.12 113.95 3e1c n MET 88 Ca -0.00 0.15 0.16 0.00 -1.81 0.00 0.00 57.70 56.19 3e1c n MET 88 Cb 0.29 -1.68 0.65 0.00 -0.71 0.00 0.00 33.22 31.78 3e1c n MET 88 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3e1c h ARG 89 N 0.00 0.00 -0.64 0.03 -0.00 -1.21 -3.27 114.38 109.29 3e1c h ARG 89 Ca -0.35 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.13 3e1c h ARG 89 Cb 1.99 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.96 3e1c h ARG 89 CO 0.05 0.00 0.00 -0.11 0.00 0.00 0.00 179.97 179.91 3e1c n LEU 90 N -2.78 0.64 0.16 3.04 7.94 -1.14 -4.44 117.00 120.41 3e1c n LEU 90 Ca 0.01 -0.32 0.16 0.00 -1.11 0.00 0.00 56.01 54.75 3e1c n LEU 90 Cb 0.26 -0.32 0.76 0.00 0.53 0.00 0.00 43.42 44.65 3e1c n LEU 90 CO 0.24 0.16 1.14 -2.24 -1.11 0.00 0.00 177.39 175.58 3e1c h ASP 91 N 0.21 0.00 0.26 1.96 3.04 -1.78 -1.45 116.42 118.66 3e1c h ASP 91 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3e1c h ASP 91 Cb 0.32 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.61 3e1c h ASP 91 CO 0.00 0.00 0.00 0.17 -2.04 0.00 0.00 179.24 177.37 3e1c h LEU 92 N 0.00 0.00 -7.13 0.15 8.10 -1.92 -3.36 115.31 111.14 3e1c h LEU 92 Ca 0.12 0.00 -0.65 0.00 0.11 0.00 0.00 57.88 57.46 3e1c h LEU 92 Cb 0.55 0.00 -0.05 0.00 -0.44 0.00 0.00 40.66 40.72 3e1c h LEU 92 CO -0.00 0.00 2.40 0.00 -4.11 0.00 0.00 178.44 176.73 3e1c n ALA 93 N -1.87 4.00 1.20 0.17 0.00 -0.55 -4.76 120.51 118.70 3e1c n ALA 93 Ca -0.01 -3.72 0.10 0.00 0.00 0.00 0.00 53.44 49.81 3e1c n ALA 93 Cb 0.11 -3.57 0.58 0.00 0.00 0.00 0.00 19.45 16.57 3e1c n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3e1c n ALA 94 N 8.22 2.21 -0.26 0.00 0.00 -1.26 -3.35 120.51 126.07 3e1c n ALA 94 Ca 0.50 -0.12 0.09 0.00 0.00 0.00 0.00 53.44 53.90 3e1c n ALA 94 Cb 0.43 -1.33 0.24 0.00 0.00 0.00 0.00 19.45 18.79 3e1c n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e1c n GLY 95 N 0.31 2.60 3.14 0.00 0.00 -1.26 -4.96 105.19 105.01 3e1c n GLY 95 Ca 0.14 -0.59 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 3e1c n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3e1c s VAL 96 N -1.01 1.00 0.28 1.61 1.01 -1.21 -4.97 120.40 117.10 3e1c s VAL 96 Ca 0.36 -1.17 0.07 0.00 0.00 0.00 0.00 61.98 61.24 3e1c s VAL 96 Cb 0.19 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.57 3e1c s VAL 96 CO 0.25 -0.19 0.21 -0.62 0.00 0.00 0.00 175.10 174.75 3e1c s ASP 97 N -1.54 5.37 0.00 3.32 3.68 -1.18 -5.01 116.67 121.32 3e1c s ASP 97 Ca -0.02 -0.36 0.00 0.00 2.13 0.00 0.00 52.55 54.29 3e1c s ASP 97 Cb -0.09 -1.22 0.00 0.00 -1.45 0.00 0.00 42.92 40.15 3e1c s ASP 97 CO 0.02 -0.14 0.00 1.33 0.13 0.00 0.00 175.17 176.51 3e1c n VAL 98 N -1.22 0.00 -2.19 1.11 0.24 -1.26 -1.02 118.33 113.99 3e1c n VAL 98 Ca -0.06 -0.01 -0.09 0.00 -2.04 0.00 0.00 64.34 62.15 3e1c n VAL 98 Cb 0.59 0.15 0.01 0.00 -1.47 0.00 0.00 33.84 33.11 3e1c n VAL 98 CO 0.00 0.00 0.00 1.67 -2.14 0.00 0.00 176.83 176.36 3e1c n GLN 99 N -0.29 -0.48 0.00 7.34 7.27 -1.26 -1.43 117.38 128.53 3e1c n GLN 99 Ca 0.00 0.30 0.14 0.00 0.07 0.00 0.00 57.00 57.52 3e1c n GLN 99 Cb 0.00 -0.56 0.71 0.00 2.41 0.00 0.00 30.24 32.80 3e1c n GLN 99 CO 0.00 0.00 0.00 0.44 0.07 0.00 0.00 177.06 177.57 3e1c n ILE 100 N -0.49 0.01 -1.60 1.69 -5.35 -1.26 -3.34 119.36 109.02 3e1c n ILE 100 Ca -0.05 0.00 -0.45 0.00 -0.27 0.00 0.00 62.75 61.98 3e1c n ILE 100 Cb 0.19 -0.51 -0.04 0.00 -1.74 0.00 0.00 39.64 37.54 3e1c n ILE 100 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 3e1c n SER 101 N -1.35 3.29 0.00 7.28 2.88 -1.26 -4.85 113.62 119.60 3e1c n SER 101 Ca 0.12 0.45 0.00 0.00 -1.33 0.00 0.00 58.87 58.11 3e1c n SER 101 Cb 0.27 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.24 3e1c n SER 101 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70