#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dlv s ARG 3 N 0.00 3.21 0.30 1.61 3.52 -1.26 -0.96 118.95 125.37 3dlv s ARG 3 Ca 0.00 -0.56 -0.18 0.00 -0.13 0.00 0.00 55.73 54.86 3dlv s ARG 3 Cb 0.00 -2.72 0.02 0.00 -1.56 0.00 0.00 34.95 30.69 3dlv s ARG 3 CO 0.00 0.43 0.69 -0.59 -0.81 0.00 0.00 175.30 175.02 3dlv s PHE 4 N -0.17 0.01 -0.02 5.12 -0.71 -0.68 -5.00 117.98 116.53 3dlv s PHE 4 Ca 0.02 -0.50 0.05 0.00 -1.04 0.00 0.00 56.93 55.47 3dlv s PHE 4 Cb -0.13 0.63 -0.03 0.00 -1.21 0.00 0.00 43.02 42.29 3dlv s PHE 4 CO 0.03 -1.28 -0.16 0.08 -1.34 0.00 0.00 175.22 172.55 3dlv s VAL 5 N -3.54 2.95 -0.07 -2.49 1.01 -1.26 -0.11 120.40 116.89 3dlv s VAL 5 Ca 0.14 -0.88 0.03 0.00 0.00 0.00 0.00 61.98 61.27 3dlv s VAL 5 Cb -0.05 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.13 3dlv s VAL 5 CO 0.09 0.51 -0.15 -0.69 0.00 0.00 0.00 175.10 174.86 3dlv s VAL 6 N -0.79 3.01 -0.00 2.92 1.01 0.13 -4.96 120.40 121.72 3dlv s VAL 6 Ca 0.13 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.43 3dlv s VAL 6 Cb -0.11 -2.19 -0.03 0.00 0.00 0.00 0.00 36.38 34.05 3dlv s VAL 6 CO 0.02 0.57 -0.14 0.26 0.00 0.00 0.00 175.10 175.82 3dlv s TRP 7 N -0.45 2.68 0.30 5.22 0.51 -1.26 -1.32 118.94 124.62 3dlv s TRP 7 Ca 0.06 -0.17 0.02 0.00 -2.12 0.00 0.00 56.10 53.89 3dlv s TRP 7 Cb -0.12 -1.56 0.59 0.00 -0.81 0.00 0.00 33.47 31.58 3dlv s TRP 7 CO 0.02 0.25 1.87 -1.35 -0.51 0.00 0.00 176.95 177.23 3dlv h PRO 8 N 4.83 0.93 -0.39 4.98 0.11 -1.89 -1.42 132.00 139.15 3dlv h PRO 8 Ca -0.47 -0.06 0.11 0.00 0.11 0.00 0.00 66.00 65.69 3dlv h PRO 8 Cb 1.16 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 3dlv h PRO 8 CO 0.50 0.61 0.35 0.66 -0.21 0.00 0.00 178.00 179.91 3dlv h SER 9 N 0.95 0.00 0.32 -2.05 4.64 -1.90 -0.85 113.55 114.67 3dlv h SER 9 Ca 0.45 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.75 3dlv h SER 9 Cb 0.43 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3dlv h SER 9 CO -0.21 0.00 -0.10 -0.33 -0.87 0.00 0.00 176.83 175.32 3dlv h GLU 10 N 0.00 0.00 -0.09 4.77 5.08 -1.32 -2.75 114.58 120.27 3dlv h GLU 10 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3dlv h GLU 10 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 3dlv h GLU 10 CO -0.00 0.10 0.00 1.28 -1.00 0.00 0.00 179.01 179.38 3dlv n LEU 11 N -3.64 2.29 -4.56 1.33 4.77 -0.34 -1.01 117.00 115.84 3dlv n LEU 11 Ca -0.02 -1.19 -0.43 0.00 -0.03 0.00 0.00 56.01 54.34 3dlv n LEU 11 Cb 0.21 -0.05 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 3dlv n LEU 11 CO 0.29 0.46 0.56 -0.62 -1.33 0.00 0.00 177.39 176.75 3dlv s ASP 12 N -1.08 6.45 0.19 -1.43 -1.08 -1.05 -1.62 116.67 117.06 3dlv s ASP 12 Ca 0.18 0.04 0.19 0.00 -0.52 0.00 0.00 52.55 52.44 3dlv s ASP 12 Cb 0.12 -2.38 0.85 0.00 -1.46 0.00 0.00 42.92 40.05 3dlv s ASP 12 CO 0.17 -0.84 1.58 -1.54 0.52 0.00 0.00 175.17 175.06 3dlv n SER 13 N 6.59 0.45 0.23 -0.34 3.41 -0.32 -1.31 113.62 122.32 3dlv n SER 13 Ca 0.02 0.64 0.14 0.00 -0.26 0.00 0.00 58.87 59.41 3dlv n SER 13 Cb 0.48 -0.72 0.37 0.00 -0.26 0.00 0.00 64.21 64.08 3dlv n SER 13 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3dlv h ARG 14 N 0.00 0.00 -5.91 4.33 3.08 -1.91 -3.45 114.38 110.52 3dlv h ARG 14 Ca 0.00 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.43 3dlv h ARG 14 Cb 0.23 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.23 3dlv h ARG 14 CO 0.00 0.00 -0.42 -0.51 -1.07 0.00 0.00 179.97 177.97 3dlv s LEU 15 N -6.03 4.36 0.69 3.04 1.43 -0.43 -5.11 118.68 116.63 3dlv s LEU 15 Ca 0.05 0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 53.51 3dlv s LEU 15 Cb 0.07 -2.76 0.02 0.00 0.03 0.00 0.00 46.19 43.54 3dlv s LEU 15 CO 0.61 0.22 1.07 -0.94 0.23 0.00 0.00 176.35 177.55 3dlv s SER 16 N -1.95 5.43 0.44 2.29 1.04 -1.26 -4.67 113.70 115.01 3dlv s SER 16 Ca 0.30 1.06 0.10 0.00 0.48 0.00 0.00 55.95 57.88 3dlv s SER 16 Cb -0.13 -1.87 0.97 0.00 0.10 0.00 0.00 66.02 65.09 3dlv s SER 16 CO 0.19 -1.33 2.07 0.03 0.98 0.00 0.00 173.24 175.19 3dlv h ARG 17 N -0.60 0.41 0.00 4.02 3.08 -1.95 -0.48 114.38 118.84 3dlv h ARG 17 Ca -0.45 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 59.56 3dlv h ARG 17 Cb 1.26 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.21 3dlv h ARG 17 CO 0.63 0.27 -0.07 0.87 -1.07 0.00 0.00 179.97 180.61 3dlv h LYS 18 N 0.42 0.00 -0.34 0.04 1.57 -1.93 -2.89 116.57 113.44 3dlv h LYS 18 Ca 0.13 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3dlv h LYS 18 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 3dlv h LYS 18 CO -0.03 0.07 0.00 0.66 -0.57 0.00 0.00 179.45 179.58 3dlv n TYR 19 N -3.94 1.09 0.00 -1.35 4.02 -0.20 -4.95 117.16 111.83 3dlv n TYR 19 Ca -0.03 -0.79 0.00 0.00 -0.01 0.00 0.00 57.90 57.07 3dlv n TYR 19 Cb 0.16 -0.31 0.00 0.00 -0.02 0.00 0.00 39.34 39.17 3dlv n TYR 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dlv n GLY 20 N -0.12 1.97 3.76 2.72 0.00 -1.09 -4.83 105.19 107.60 3dlv n GLY 20 Ca 0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.83 3dlv n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3dlv s ARG 21 N 0.00 4.38 -0.02 1.61 3.52 -1.13 -3.64 118.95 123.68 3dlv s ARG 21 Ca 0.00 2.14 0.01 0.00 -0.13 0.00 0.00 55.73 57.76 3dlv s ARG 21 Cb 0.00 -3.12 -0.02 0.00 -1.56 0.00 0.00 34.95 30.26 3dlv s ARG 21 CO 0.00 -0.18 0.00 -0.89 -0.81 0.00 0.00 175.30 173.42 3dlv n ILE 22 N 1.42 0.11 -2.38 4.11 5.41 -0.18 -4.34 119.36 123.52 3dlv n ILE 22 Ca 0.02 -0.06 -0.32 0.00 1.00 0.00 0.00 62.75 63.38 3dlv n ILE 22 Cb 0.42 -0.92 -0.03 0.00 -0.71 0.00 0.00 39.64 38.40 3dlv n ILE 22 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 3dlv s VAL 23 N -2.04 4.44 0.50 1.39 -7.23 -1.02 -5.00 120.40 111.45 3dlv s VAL 23 Ca -0.01 1.19 -0.23 0.00 -1.81 0.00 0.00 61.98 61.12 3dlv s VAL 23 Cb 0.00 -3.67 -0.07 0.00 0.56 0.00 0.00 36.38 33.20 3dlv s VAL 23 CO 0.06 -0.65 1.35 -2.65 -0.31 0.00 0.00 175.10 172.91 3dlv n PRO 24 N -1.57 1.85 -0.32 4.82 -0.02 -1.26 -4.76 135.00 133.73 3dlv n PRO 24 Ca 0.07 0.67 0.22 0.00 -2.02 0.00 0.00 63.50 62.44 3dlv n PRO 24 Cb 0.54 -2.55 0.44 0.00 -0.02 0.00 0.00 33.50 31.91 3dlv n PRO 24 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dlv h ARG 25 N 1.72 0.19 0.00 -0.52 3.08 -1.95 -1.03 114.38 115.87 3dlv h ARG 25 Ca -0.50 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.54 3dlv h ARG 25 Cb 1.30 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.30 3dlv h ARG 25 CO 0.58 0.12 0.00 0.66 -1.07 0.00 0.00 179.97 180.27 3dlv h SER 26 N 0.19 0.00 0.00 7.04 4.64 -2.02 -3.05 113.55 120.35 3dlv h SER 26 Ca 0.71 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.03 3dlv h SER 26 Cb 1.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 3dlv h SER 26 CO -0.69 0.00 -1.46 -0.38 -0.87 0.00 0.00 176.83 173.43 3dlv n ILE 27 N -2.46 0.00 -1.97 0.95 5.41 -0.46 -5.03 119.36 115.80 3dlv n ILE 27 Ca 0.03 -0.27 -0.36 0.00 1.00 0.00 0.00 62.75 63.15 3dlv n ILE 27 Cb 0.34 0.29 0.04 0.00 -0.71 0.00 0.00 39.64 39.60 3dlv n ILE 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3dlv s ALA 28 N -2.77 2.52 0.22 -1.39 0.00 -0.79 -4.55 121.76 115.00 3dlv s ALA 28 Ca -0.04 1.01 0.12 0.00 0.00 0.00 0.00 51.96 53.05 3dlv s ALA 28 Cb 0.08 -3.46 -0.05 0.00 0.00 0.00 0.00 23.12 19.69 3dlv s ALA 28 CO 0.49 -1.22 -0.23 0.14 0.00 0.00 0.00 175.76 174.95 3dlv s VAL 29 N -1.60 2.38 -0.05 0.00 -7.23 -0.64 -4.62 120.40 108.64 3dlv s VAL 29 Ca 0.78 -2.14 -0.30 0.00 -1.81 0.00 0.00 61.98 58.51 3dlv s VAL 29 Cb -0.31 -2.17 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 3dlv s VAL 29 CO 0.34 -0.20 1.20 -0.70 -0.31 0.00 0.00 175.10 175.43 3dlv s GLU 30 N -2.91 4.36 -1.11 4.82 2.12 -1.26 -1.17 118.70 123.54 3dlv s GLU 30 Ca 0.23 1.68 -0.24 0.00 0.36 0.00 0.00 54.97 57.01 3dlv s GLU 30 Cb -0.07 -3.55 0.02 0.00 0.26 0.00 0.00 34.13 30.79 3dlv s GLU 30 CO 0.11 -0.44 0.72 0.43 -0.54 0.00 0.00 175.26 175.54 3dlv n SER 31 N 5.12 -4.86 -4.75 -1.70 7.64 -1.26 -4.88 113.62 108.94 3dlv n SER 31 Ca 0.11 -1.10 -0.41 0.00 1.01 0.00 0.00 58.87 58.47 3dlv n SER 31 Cb 0.46 -2.48 -0.02 0.00 -1.01 0.00 0.00 64.21 61.16 3dlv n SER 31 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 3dlv s PRO 32 N -6.37 4.23 0.21 1.43 0.02 -1.26 -5.02 135.00 128.24 3dlv s PRO 32 Ca 0.41 2.37 0.05 0.00 0.02 0.00 0.00 61.00 63.84 3dlv s PRO 32 Cb -0.19 -3.08 -0.03 0.00 0.02 0.00 0.00 34.50 31.22 3dlv s PRO 32 CO 0.91 -0.46 0.30 1.03 -0.33 0.00 0.00 177.00 178.45 3dlv s ARG 33 N -0.58 3.32 0.20 5.54 0.52 -1.26 -4.86 118.95 121.84 3dlv s ARG 33 Ca 0.59 -0.76 -0.11 0.00 -0.52 0.00 0.00 55.73 54.92 3dlv s ARG 33 Cb -0.43 -2.85 0.24 0.00 0.52 0.00 0.00 34.95 32.43 3dlv s ARG 33 CO 0.46 0.46 1.72 0.28 0.02 0.00 0.00 175.30 178.23 3dlv h VAL 34 N 1.42 0.71 -0.70 3.52 2.07 -1.98 -0.62 116.25 120.67 3dlv h VAL 34 Ca -0.50 -0.10 0.10 0.00 0.82 0.00 0.00 66.70 67.03 3dlv h VAL 34 Cb 1.22 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 3dlv h VAL 34 CO 0.63 0.05 0.46 -0.08 0.02 0.00 0.00 177.57 178.66 3dlv h GLU 35 N 0.28 0.53 -0.14 1.57 4.81 -1.99 -0.99 114.58 118.65 3dlv h GLU 35 Ca 0.28 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.39 3dlv h GLU 35 Cb 0.38 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.64 3dlv h GLU 35 CO -0.34 0.35 -0.25 0.93 -0.73 0.00 0.00 179.01 178.97 3dlv h GLU 36 N 0.54 0.41 -0.95 1.92 5.08 -1.54 -1.92 114.58 118.12 3dlv h GLU 36 Ca 0.32 -0.26 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3dlv h GLU 36 Cb 0.54 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 3dlv h GLU 36 CO -0.11 0.85 0.58 0.82 -1.00 0.00 0.00 179.01 180.16 3dlv h ILE 37 N 0.01 1.26 -0.38 3.13 2.04 -0.83 -0.05 117.51 122.69 3dlv h ILE 37 Ca 0.01 -0.54 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 3dlv h ILE 37 Cb 0.83 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 3dlv h ILE 37 CO 0.06 0.27 0.04 0.58 0.00 0.00 0.00 178.15 179.09 3dlv h VAL 38 N 1.30 1.25 -0.43 1.67 2.07 -1.18 -0.47 116.25 120.46 3dlv h VAL 38 Ca 0.34 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3dlv h VAL 38 Cb -0.07 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 3dlv h VAL 38 CO -0.07 0.31 0.26 -0.09 0.02 0.00 0.00 177.57 178.00 3dlv h ARG 39 N 0.48 0.59 -0.31 1.57 2.43 -1.05 -1.87 114.38 116.21 3dlv h ARG 39 Ca 0.11 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 59.24 3dlv h ARG 39 Cb 0.40 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 3dlv h ARG 39 CO 0.01 0.44 0.18 0.00 -1.51 0.00 0.00 179.97 179.09 3dlv h ALA 40 N 1.11 0.39 -0.60 2.80 0.00 -0.88 -1.33 119.26 120.75 3dlv h ALA 40 Ca 0.15 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.12 3dlv h ALA 40 Cb 0.01 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.66 3dlv h ALA 40 CO -0.03 -0.19 0.31 0.00 0.00 0.00 0.00 179.25 179.34 3dlv h ALA 41 N 1.14 0.80 -0.54 0.00 0.00 -0.87 -0.98 119.26 118.81 3dlv h ALA 41 Ca 0.12 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3dlv h ALA 41 Cb 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3dlv h ALA 41 CO -0.06 -0.04 -0.03 0.93 0.00 0.00 0.00 179.25 180.05 3dlv h GLU 42 N 0.58 0.94 0.00 0.00 5.08 -1.07 0.55 114.58 120.67 3dlv h GLU 42 Ca 0.28 -0.29 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 3dlv h GLU 42 Cb 0.20 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3dlv h GLU 42 CO -0.19 0.95 -0.39 0.93 -1.00 0.00 0.00 179.01 179.31 3dlv h GLU 43 N 0.86 0.00 -0.01 2.33 5.08 -0.86 -2.35 114.58 119.63 3dlv h GLU 43 Ca 0.15 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.51 3dlv h GLU 43 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3dlv h GLU 43 CO 0.03 0.39 0.00 1.28 -1.00 0.00 0.00 179.01 179.71 3dlv n LEU 44 N -3.90 0.51 -0.36 1.33 4.77 -0.41 -4.91 117.00 114.04 3dlv n LEU 44 Ca -0.01 -0.17 -0.05 0.00 -0.03 0.00 0.00 56.01 55.74 3dlv n LEU 44 Cb 0.44 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.51 3dlv n LEU 44 CO 0.38 0.09 -0.04 0.29 -1.33 0.00 0.00 177.39 176.77 3dlv n LYS 45 N -0.59 -0.58 -1.98 3.23 4.76 -0.89 -5.03 118.16 117.09 3dlv n LYS 45 Ca 0.22 0.54 -0.32 0.00 -2.87 0.00 0.00 58.31 55.88 3dlv n LYS 45 Cb 0.19 -4.25 0.01 0.00 -1.84 0.00 0.00 35.03 29.14 3dlv n LYS 45 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3dlv s PHE 46 N -2.05 3.16 -0.15 2.13 0.08 0.14 -4.99 117.98 116.30 3dlv s PHE 46 Ca 0.00 1.46 -0.20 0.00 0.12 0.00 0.00 56.93 58.32 3dlv s PHE 46 Cb 0.00 -2.91 -0.03 0.00 -0.57 0.00 0.00 43.02 39.51 3dlv s PHE 46 CO 0.00 -0.96 0.56 0.15 -0.10 0.00 0.00 175.22 174.87 3dlv s LYS 47 N -4.40 4.29 -0.47 0.44 -0.14 0.08 -4.38 119.74 115.15 3dlv s LYS 47 Ca 0.61 0.55 -0.19 0.00 -1.36 0.00 0.00 55.97 55.57 3dlv s LYS 47 Cb -0.14 -3.50 0.04 0.00 -1.68 0.00 0.00 37.83 32.55 3dlv s LYS 47 CO 0.42 -0.03 0.60 0.08 -0.76 0.00 0.00 175.35 175.66 3dlv s VAL 48 N 1.22 4.89 -0.12 3.17 1.01 -1.26 -0.75 120.40 128.56 3dlv s VAL 48 Ca 0.28 -0.28 -0.18 0.00 0.00 0.00 0.00 61.98 61.81 3dlv s VAL 48 Cb -0.16 -4.23 -0.26 0.00 0.00 0.00 0.00 36.38 31.73 3dlv s VAL 48 CO 0.11 -0.69 0.55 0.40 0.00 0.00 0.00 175.10 175.48 3dlv h ILE 49 N 5.85 1.10 -2.73 2.22 1.08 -1.42 -3.49 117.51 120.13 3dlv h ILE 49 Ca -0.27 -2.38 -0.10 0.00 -0.39 0.00 0.00 64.86 61.73 3dlv h ILE 49 Cb 1.10 2.73 -0.20 0.00 -3.07 0.00 0.00 36.82 37.38 3dlv h ILE 49 CO 0.92 0.65 -0.14 -0.60 -0.69 0.00 0.00 178.15 178.28 3dlv s ARG 50 N -2.44 0.76 -0.05 2.37 3.52 -1.18 -4.99 118.95 116.94 3dlv s ARG 50 Ca -0.21 0.00 -0.00 0.00 -0.13 0.00 0.00 55.73 55.39 3dlv s ARG 50 Cb 0.04 0.35 0.03 0.00 -1.56 0.00 0.00 34.95 33.80 3dlv s ARG 50 CO 0.74 -0.21 -0.01 0.08 -0.81 0.00 0.00 175.30 175.09 3dlv s VAL 51 N -1.15 0.31 0.11 7.11 1.01 -1.26 -0.90 120.40 125.63 3dlv s VAL 51 Ca -0.12 0.07 0.09 0.00 0.00 0.00 0.00 61.98 62.02 3dlv s VAL 51 Cb -0.04 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 3dlv s VAL 51 CO 0.05 0.20 -0.20 -1.61 0.00 0.00 0.00 175.10 173.55 3dlv s GLU 52 N 1.36 1.72 -0.48 2.72 2.02 0.11 -4.99 118.70 121.17 3dlv s GLU 52 Ca -0.05 -1.20 0.06 0.00 0.02 0.00 0.00 54.97 53.80 3dlv s GLU 52 Cb -0.13 -2.07 0.18 0.00 0.10 0.00 0.00 34.13 32.21 3dlv s GLU 52 CO -0.02 0.48 0.59 -1.21 0.02 0.00 0.00 175.26 175.11 3dlv s GLU 53 N -2.07 1.00 0.07 1.61 0.41 -1.26 -1.74 118.70 116.72 3dlv s GLU 53 Ca 0.17 -1.38 -0.10 0.00 -0.41 0.00 0.00 54.97 53.25 3dlv s GLU 53 Cb -0.10 -0.51 -0.06 0.00 -1.78 0.00 0.00 34.13 31.68 3dlv s GLU 53 CO 0.09 -1.34 0.41 -0.51 -0.49 0.00 0.00 175.26 173.42 3dlv s ASP 54 N 0.66 6.66 -0.05 -0.19 1.01 -0.33 -4.90 116.67 119.52 3dlv s ASP 54 Ca 0.30 0.82 0.04 0.00 0.71 0.00 0.00 52.55 54.42 3dlv s ASP 54 Cb 0.01 -2.19 -0.00 0.00 1.01 0.00 0.00 42.92 41.75 3dlv s ASP 54 CO -0.10 0.18 -0.18 -0.54 0.21 0.00 0.00 175.17 174.75 3dlv s LYS 55 N -1.84 1.98 -0.03 8.23 1.02 -1.26 0.59 119.74 128.44 3dlv s LYS 55 Ca 0.32 -0.63 0.04 0.00 0.02 0.00 0.00 55.97 55.72 3dlv s LYS 55 Cb -0.14 -1.67 -0.01 0.00 -0.52 0.00 0.00 37.83 35.50 3dlv s LYS 55 CO 0.18 0.21 -0.15 -0.51 -0.92 0.00 0.00 175.35 174.16 3dlv s LEU 56 N 0.17 1.94 0.11 3.17 1.43 -0.17 -4.94 118.68 120.39 3dlv s LEU 56 Ca -0.07 -0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 52.43 3dlv s LEU 56 Cb -0.13 -0.82 -0.06 0.00 0.03 0.00 0.00 46.19 45.20 3dlv s LEU 56 CO 0.03 0.16 1.17 0.21 0.23 0.00 0.00 176.35 178.14 3dlv s ASN 57 N -0.12 7.14 0.01 2.29 3.84 -1.26 -1.01 114.94 125.83 3dlv s ASN 57 Ca 0.01 2.06 -0.15 0.00 0.21 0.00 0.00 52.86 54.98 3dlv s ASN 57 Cb -0.08 -2.59 -0.09 0.00 -0.55 0.00 0.00 41.25 37.94 3dlv s ASN 57 CO 0.01 -0.38 1.00 -0.65 -2.79 0.00 0.00 177.10 174.28 3dlv h PRO 58 N 6.10 -0.54 0.00 0.43 0.11 -2.00 -3.48 132.00 132.63 3dlv h PRO 58 Ca -0.43 0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.72 3dlv h PRO 58 Cb 1.21 0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3dlv h PRO 58 CO 0.78 -0.36 0.00 -1.91 -0.21 0.00 0.00 178.00 176.30 3dlv n GLU 66 N -3.84 0.00 -1.80 1.05 4.07 -1.26 -5.14 120.64 113.72 3dlv n GLU 66 Ca -0.07 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.61 3dlv n GLU 66 Cb 0.22 0.00 -0.02 0.00 -0.06 0.00 0.00 31.44 31.58 3dlv n GLU 66 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 3dlv s LEU 67 N 0.00 4.36 -0.12 4.31 1.43 -1.26 -4.98 118.68 122.42 3dlv s LEU 67 Ca 0.00 2.87 -0.19 0.00 -1.03 0.00 0.00 54.13 55.78 3dlv s LEU 67 Cb 0.00 -3.62 -0.04 0.00 0.03 0.00 0.00 46.19 42.56 3dlv s LEU 67 CO 0.00 -0.91 0.53 0.00 0.23 0.00 0.00 176.35 176.20 3dlv s ARG 68 N 0.19 4.34 -0.05 1.70 1.70 -0.18 -4.89 118.95 121.77 3dlv s ARG 68 Ca 0.67 0.53 -0.13 0.00 -0.47 0.00 0.00 55.73 56.34 3dlv s ARG 68 Cb -0.48 -3.45 -0.05 0.00 -0.57 0.00 0.00 34.95 30.40 3dlv s ARG 68 CO 0.41 0.10 0.33 0.99 -1.08 0.00 0.00 175.30 176.05 3dlv s THR 69 N 0.77 5.18 -0.25 4.99 2.01 -1.26 -1.00 115.64 126.08 3dlv s THR 69 Ca 0.28 0.65 -0.00 0.00 0.31 0.00 0.00 61.69 62.93 3dlv s THR 69 Cb -0.16 -3.62 0.07 0.00 0.01 0.00 0.00 72.50 68.81 3dlv s THR 69 CO 0.12 0.57 0.02 -0.36 -0.69 0.00 0.00 174.62 174.28 3dlv s PHE 70 N -0.93 2.03 0.02 4.92 0.40 0.20 -4.99 117.98 119.62 3dlv s PHE 70 Ca 0.21 -1.66 0.02 0.00 -0.60 0.00 0.00 56.93 54.90 3dlv s PHE 70 Cb -0.15 -1.61 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 3dlv s PHE 70 CO 0.10 -0.78 0.04 0.20 0.70 0.00 0.00 175.22 175.48 3dlv s GLY 71 N 1.51 1.95 -0.16 4.36 0.00 -1.26 -1.19 107.32 112.54 3dlv s GLY 71 Ca 0.01 -0.96 -0.09 0.00 0.00 0.00 0.00 44.72 43.68 3dlv s GLY 71 CO -0.12 -0.87 0.39 -0.29 0.00 0.00 0.00 173.10 172.22 3dlv s MET 72 N -1.86 0.38 -0.14 2.90 0.00 -0.71 -4.40 119.30 115.47 3dlv s MET 72 Ca 0.23 0.75 0.01 0.00 0.00 0.00 0.00 55.69 56.67 3dlv s MET 72 Cb -0.12 -0.02 0.02 0.00 0.00 0.00 0.00 34.83 34.71 3dlv s MET 72 CO 0.15 -0.15 -0.14 0.42 0.00 0.00 0.00 175.02 175.30 3dlv s ILE 73 N 1.32 1.49 -0.17 10.11 1.09 -0.44 0.08 121.20 134.68 3dlv s ILE 73 Ca -0.09 -0.59 -0.19 0.00 -1.10 0.00 0.00 60.65 58.68 3dlv s ILE 73 Cb -0.08 -1.40 -0.03 0.00 -1.06 0.00 0.00 42.46 39.88 3dlv s ILE 73 CO -0.12 0.44 0.55 -0.69 -0.10 0.00 0.00 174.94 175.02 3dlv s VAL 74 N 1.42 5.10 0.16 2.92 1.01 -0.08 0.20 120.40 131.13 3dlv s VAL 74 Ca 0.03 1.04 0.09 0.00 0.00 0.00 0.00 61.98 63.13 3dlv s VAL 74 Cb -0.13 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 3dlv s VAL 74 CO -0.09 0.20 -0.19 -0.76 0.00 0.00 0.00 175.10 174.26 3dlv s LEU 75 N 1.44 2.43 -0.13 3.92 1.43 0.84 -0.99 118.68 127.61 3dlv s LEU 75 Ca 0.26 -0.85 0.01 0.00 -1.03 0.00 0.00 54.13 52.53 3dlv s LEU 75 Cb -0.16 -0.87 -0.00 0.00 0.03 0.00 0.00 46.19 45.19 3dlv s LEU 75 CO 0.10 -0.01 -0.17 -1.61 0.23 0.00 0.00 176.35 174.89 3dlv s GLU 76 N -2.71 3.20 0.03 1.70 2.02 0.07 -1.68 118.70 121.33 3dlv s GLU 76 Ca 0.16 -0.77 0.00 0.00 0.02 0.00 0.00 54.97 54.38 3dlv s GLU 76 Cb -0.06 -2.53 -0.02 0.00 0.10 0.00 0.00 34.13 31.61 3dlv s GLU 76 CO 0.07 0.10 -0.04 0.45 0.02 0.00 0.00 175.26 175.86 3dlv s SER 77 N 0.59 0.39 0.06 -0.19 0.15 -0.14 -0.74 113.70 113.82 3dlv s SER 77 Ca -0.10 -0.56 0.20 0.00 0.70 0.00 0.00 55.95 56.18 3dlv s SER 77 Cb -0.16 0.10 0.82 0.00 -1.71 0.00 0.00 66.02 65.06 3dlv s SER 77 CO 0.03 -0.31 1.62 -2.65 1.20 0.00 0.00 173.24 173.13 3dlv n PRO 78 N 1.41 0.05 -4.27 5.44 -0.02 -1.26 0.03 135.00 136.37 3dlv n PRO 78 Ca -0.23 0.23 -0.25 0.00 -2.02 0.00 0.00 63.50 61.24 3dlv n PRO 78 Cb 0.56 -1.59 -0.08 0.00 -0.02 0.00 0.00 33.50 32.37 3dlv n PRO 78 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3dlv s TYR 79 N -3.06 2.58 0.91 6.00 2.02 -1.26 -4.67 117.35 119.87 3dlv s TYR 79 Ca 0.08 -0.47 -0.11 0.00 -0.37 0.00 0.00 57.07 56.19 3dlv s TYR 79 Cb 0.11 -1.62 0.14 0.00 -0.40 0.00 0.00 41.96 40.19 3dlv s TYR 79 CO 0.36 0.40 1.09 0.20 -1.57 0.00 0.00 175.55 176.03 3dlv s GLY 80 N -3.77 1.62 0.19 0.71 0.00 -1.26 -3.67 107.32 101.13 3dlv s GLY 80 Ca 0.36 -0.02 -0.11 0.00 0.00 0.00 0.00 44.72 44.95 3dlv s GLY 80 CO 0.20 0.47 1.78 1.70 0.00 0.00 0.00 173.10 177.26 3dlv h LYS 81 N -1.62 0.51 0.18 2.90 3.64 -1.97 -0.24 116.57 119.97 3dlv h LYS 81 Ca -0.50 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 58.87 3dlv h LYS 81 Cb 1.28 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 3dlv h LYS 81 CO 0.53 0.34 -0.27 1.03 -2.27 0.00 0.00 179.45 178.81 3dlv h SER 82 N 0.52 -0.76 -0.31 4.20 0.87 -2.00 0.18 113.55 116.25 3dlv h SER 82 Ca 0.26 0.08 -0.07 0.00 -1.23 0.00 0.00 61.79 60.83 3dlv h SER 82 Cb 0.21 0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 62.42 3dlv h SER 82 CO -0.20 -0.37 -0.03 0.50 -0.53 0.00 0.00 176.83 176.20 3dlv h LYS 83 N -0.52 0.69 -0.48 2.24 3.64 -1.90 -2.82 116.57 117.41 3dlv h LYS 83 Ca 0.02 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.20 3dlv h LYS 83 Cb 0.52 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 3dlv h LYS 83 CO -0.12 0.73 0.24 0.77 -2.27 0.00 0.00 179.45 178.80 3dlv h SER 84 N 0.64 0.63 -0.78 4.20 0.02 -0.29 -1.33 113.55 116.64 3dlv h SER 84 Ca 0.13 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3dlv h SER 84 Cb 0.45 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.79 3dlv h SER 84 CO 0.02 0.56 0.41 -0.07 -1.14 0.00 0.00 176.83 176.62 3dlv h LEU 85 N 0.64 0.99 -0.38 5.07 3.38 -0.54 -0.47 115.31 124.00 3dlv h LEU 85 Ca 0.17 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3dlv h LEU 85 Cb 0.10 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 3dlv h LEU 85 CO -0.02 0.82 0.22 0.11 0.09 0.00 0.00 178.44 179.65 3dlv h LYS 86 N 1.09 0.52 -0.89 1.13 1.57 -1.25 -0.54 116.57 118.20 3dlv h LYS 86 Ca 0.27 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3dlv h LYS 86 Cb 0.06 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 3dlv h LYS 86 CO -0.04 0.41 0.56 -0.07 -0.57 0.00 0.00 179.45 179.74 3dlv h LEU 87 N 0.49 1.05 -0.30 2.94 3.38 -0.84 -1.38 115.31 120.65 3dlv h LEU 87 Ca 0.13 -0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 3dlv h LEU 87 Cb 0.03 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3dlv h LEU 87 CO -0.02 0.78 0.02 0.40 0.09 0.00 0.00 178.44 179.71 3dlv h ILE 88 N 1.22 1.25 -0.71 1.22 2.04 -0.76 -1.14 117.51 120.63 3dlv h ILE 88 Ca 0.32 -0.89 -0.02 0.00 1.00 0.00 0.00 64.86 65.28 3dlv h ILE 88 Cb -0.09 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 37.20 3dlv h ILE 88 CO -0.06 0.29 0.38 0.00 0.00 0.00 0.00 178.15 178.75 3dlv h ALA 89 N 0.85 0.91 -0.59 1.87 0.00 -0.87 0.24 119.26 121.66 3dlv h ALA 89 Ca 0.09 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3dlv h ALA 89 Cb 0.40 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3dlv h ALA 89 CO 0.01 0.43 0.11 -0.56 0.00 0.00 0.00 179.25 179.24 3dlv h GLN 90 N 0.98 0.94 -0.42 0.00 -0.00 -1.17 -1.54 115.11 113.90 3dlv h GLN 90 Ca 0.25 -0.23 -0.10 0.00 -0.00 0.00 0.00 58.65 58.57 3dlv h GLN 90 Cb 0.05 -0.12 -0.01 0.00 -0.00 0.00 0.00 27.48 27.40 3dlv h GLN 90 CO -0.04 0.87 -0.13 -0.22 -0.00 0.00 0.00 178.83 179.30 3dlv h LYS 91 N 0.89 0.83 -0.53 0.06 1.63 -0.56 -1.87 116.57 117.02 3dlv h LYS 91 Ca 0.19 -0.33 -0.01 0.00 -0.85 0.00 0.00 60.65 59.65 3dlv h LYS 91 Cb 0.38 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 31.94 3dlv h LYS 91 CO 0.01 0.96 0.31 0.82 -3.45 0.00 0.00 179.45 178.10 3dlv h ILE 92 N 0.65 1.17 -0.49 2.00 2.04 -0.81 -0.91 117.51 121.16 3dlv h ILE 92 Ca 0.10 -0.40 0.02 0.00 1.00 0.00 0.00 64.86 65.59 3dlv h ILE 92 Cb 0.68 0.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 3dlv h ILE 92 CO 0.05 0.18 0.28 -0.09 0.00 0.00 0.00 178.15 178.57 3dlv h ARG 93 N 0.71 0.55 -0.56 2.37 2.43 -1.18 -1.77 114.38 116.93 3dlv h ARG 93 Ca 0.19 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 3dlv h ARG 93 Cb 0.01 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 3dlv h ARG 93 CO -0.03 0.36 0.18 1.05 -1.51 0.00 0.00 179.97 180.02 3dlv h GLU 94 N 0.56 0.87 -0.28 0.20 4.11 -0.97 -2.28 114.58 116.78 3dlv h GLU 94 Ca 0.20 -0.19 0.05 0.00 0.07 0.00 0.00 59.36 59.49 3dlv h GLU 94 Cb 0.03 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.11 3dlv h GLU 94 CO -0.10 0.78 -0.02 0.74 0.07 0.00 0.00 179.01 180.48 3dlv h PHE 95 N 0.78 -0.06 -0.57 2.06 0.04 -0.96 -2.15 116.94 116.08 3dlv h PHE 95 Ca 0.18 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.92 3dlv h PHE 95 Cb 0.28 0.07 -0.03 0.00 2.20 0.00 0.00 35.95 38.47 3dlv h PHE 95 CO 0.02 -0.07 0.14 0.00 -0.60 0.00 0.00 178.31 177.79 3dlv h ARG 96 N 0.05 0.89 -0.06 1.51 3.08 -1.13 -1.46 114.38 117.26 3dlv h ARG 96 Ca 0.14 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.00 3dlv h ARG 96 Cb 0.19 -0.13 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 3dlv h ARG 96 CO -0.25 0.80 0.04 0.00 -1.07 0.00 0.00 179.97 179.48 3dlv h ARG 97 N 0.85 0.08 -0.19 0.04 3.08 -1.10 -3.04 114.38 114.10 3dlv h ARG 97 Ca 0.18 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.26 3dlv h ARG 97 Cb 0.31 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 30.28 3dlv h ARG 97 CO -0.00 0.05 -0.53 0.00 -1.07 0.00 0.00 179.97 178.42 3dlv h ARG 98 N 0.08 -0.50 -5.88 0.04 2.47 -0.77 -3.37 114.38 106.43 3dlv h ARG 98 Ca 0.02 0.03 -0.57 0.00 -1.26 0.00 0.00 59.98 58.21 3dlv h ARG 98 Cb -0.01 0.11 -0.00 0.00 -1.65 0.00 0.00 29.97 28.43 3dlv h ARG 98 CO -0.01 -0.34 1.52 0.43 0.56 0.00 0.00 179.97 182.14 3dlv n SER 99 N -5.30 2.84 0.00 7.04 7.64 -0.61 -5.12 113.62 120.12 3dlv n SER 99 Ca -0.05 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.89 3dlv n SER 99 Cb 0.36 -1.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.04 3dlv n SER 99 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03