#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cvi s VAL 2 N 0.00 5.03 -0.08 1.12 1.01 0.12 -4.95 120.40 122.64 2cvi s VAL 2 Ca 0.00 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.06 2cvi s VAL 2 Cb 0.00 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 2cvi s VAL 2 CO 0.00 0.56 -0.22 -0.89 0.00 0.00 0.00 175.10 174.55 2cvi s THR 3 N -0.54 2.28 0.06 3.92 2.01 -1.26 -1.04 115.64 121.06 2cvi s THR 3 Ca 0.11 -0.97 -0.13 0.00 0.31 0.00 0.00 61.69 61.01 2cvi s THR 3 Cb -0.12 -1.86 0.02 0.00 0.01 0.00 0.00 72.50 70.55 2cvi s THR 3 CO 0.02 0.56 0.30 0.00 -0.69 0.00 0.00 174.62 174.81 2cvi s ALA 4 N 0.02 -0.64 -0.15 7.40 0.00 -0.13 -0.76 121.76 127.49 2cvi s ALA 4 Ca -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 51.96 51.75 2cvi s ALA 4 Cb -0.15 0.41 -0.01 0.00 0.00 0.00 0.00 23.12 23.37 2cvi s ALA 4 CO 0.05 -0.47 -0.11 -0.06 0.00 0.00 0.00 175.76 175.18 2cvi s PHE 5 N -2.99 2.86 -0.26 0.00 0.08 -0.49 -0.69 117.98 116.49 2cvi s PHE 5 Ca -0.02 -0.75 -0.07 0.00 0.12 0.00 0.00 56.93 56.21 2cvi s PHE 5 Cb 0.01 -1.91 -0.02 0.00 -0.57 0.00 0.00 43.02 40.52 2cvi s PHE 5 CO -0.06 -0.31 0.08 0.42 -0.10 0.00 0.00 175.22 175.25 2cvi s ILE 6 N 0.65 4.30 -0.16 0.64 1.01 0.58 -0.48 121.20 127.74 2cvi s ILE 6 Ca -0.06 -0.23 -0.14 0.00 0.00 0.00 0.00 60.65 60.21 2cvi s ILE 6 Cb -0.15 -3.04 -0.05 0.00 0.01 0.00 0.00 42.46 39.23 2cvi s ILE 6 CO 0.02 0.30 0.32 -0.76 0.00 0.00 0.00 174.94 174.82 2cvi s LEU 7 N 1.61 4.24 0.04 2.97 2.01 0.01 -1.53 118.68 128.03 2cvi s LEU 7 Ca 0.06 0.54 0.07 0.00 0.01 0.00 0.00 54.13 54.81 2cvi s LEU 7 Cb -0.15 -2.42 -0.02 0.00 0.01 0.00 0.00 46.19 43.60 2cvi s LEU 7 CO 0.04 0.08 -0.20 -0.04 1.01 0.00 0.00 176.35 177.23 2cvi s MET 8 N 0.54 1.37 -0.19 1.70 -1.94 0.22 -1.13 119.30 119.87 2cvi s MET 8 Ca 0.18 -0.90 -0.06 0.00 -1.71 0.00 0.00 55.69 53.19 2cvi s MET 8 Cb -0.13 -1.46 -0.04 0.00 2.01 0.00 0.00 34.83 35.21 2cvi s MET 8 CO 0.05 0.37 0.04 0.08 -0.01 0.00 0.00 175.02 175.55 2cvi s VAL 9 N -0.77 4.49 0.20 -6.03 1.01 0.13 -0.46 120.40 118.97 2cvi s VAL 9 Ca 0.07 -0.14 0.07 0.00 0.00 0.00 0.00 61.98 61.98 2cvi s VAL 9 Cb -0.09 -3.02 -0.05 0.00 0.00 0.00 0.00 36.38 33.22 2cvi s VAL 9 CO 0.01 0.45 -0.13 0.42 0.00 0.00 0.00 175.10 175.85 2cvi s THR 10 N 0.58 1.61 0.52 3.92 -4.23 -1.26 -0.77 115.64 116.00 2cvi s THR 10 Ca 0.02 -2.18 -0.22 0.00 -1.18 0.00 0.00 61.69 58.13 2cvi s THR 10 Cb -0.13 -2.02 -0.06 0.00 1.34 0.00 0.00 72.50 71.63 2cvi s THR 10 CO 0.02 -0.61 1.29 0.00 -0.54 0.00 0.00 174.62 174.77 2cvi s ALA 11 N -3.05 2.86 0.34 3.99 0.00 -0.25 -4.89 121.76 120.76 2cvi s ALA 11 Ca 0.22 1.19 -0.28 0.00 0.00 0.00 0.00 51.96 53.08 2cvi s ALA 11 Cb 0.00 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.52 2cvi s ALA 11 CO 0.06 -1.13 1.32 0.00 0.00 0.00 0.00 175.76 176.01 2cvi s ALA 12 N -1.39 3.47 0.00 0.00 0.00 -1.26 -2.96 121.76 119.62 2cvi s ALA 12 Ca 0.69 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.92 2cvi s ALA 12 Cb -0.36 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.27 2cvi s ALA 12 CO 0.43 -0.69 0.00 0.41 0.00 0.00 0.00 175.76 175.91 2cvi n GLY 13 N 0.76 1.51 0.84 0.00 0.00 -1.26 -4.89 105.19 102.14 2cvi n GLY 13 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.13 2cvi n GLY 13 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2cvi n LYS 14 N -2.00 1.89 -0.03 1.61 5.02 -1.15 -4.70 118.16 118.80 2cvi n LYS 14 Ca 0.00 -1.77 -0.10 0.00 -2.02 0.00 0.00 58.31 54.42 2cvi n LYS 14 Cb 0.00 -1.40 -0.04 0.00 -0.02 0.00 0.00 35.03 33.57 2cvi n LYS 14 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2cvi h GLU 15 N 3.99 -0.37 -0.37 1.97 3.07 -1.91 -0.66 114.58 120.30 2cvi h GLU 15 Ca 0.00 0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 58.74 2cvi h GLU 15 Cb 0.86 0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.84 2cvi h GLU 15 CO 0.00 -0.25 -0.33 0.00 -1.40 0.00 0.00 179.01 177.03 2cvi h ARG 16 N -0.39 0.85 -0.18 2.33 3.08 -1.98 0.40 114.38 118.49 2cvi h ARG 16 Ca 0.11 -0.41 0.01 0.00 0.07 0.00 0.00 59.98 59.76 2cvi h ARG 16 Cb 0.56 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 2cvi h ARG 16 CO -0.41 1.05 0.10 1.49 -1.07 0.00 0.00 179.97 181.13 2cvi h GLU 17 N 0.71 0.20 -0.37 0.04 4.81 -1.82 0.21 114.58 118.36 2cvi h GLU 17 Ca 0.07 -0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 2cvi h GLU 17 Cb 0.90 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 2cvi h GLU 17 CO 0.08 0.13 -0.09 0.28 -0.73 0.00 0.00 179.01 178.68 2cvi h VAL 18 N 0.20 1.28 -0.64 0.32 2.07 -1.07 -2.12 116.25 116.30 2cvi h VAL 18 Ca 0.07 -1.17 0.05 0.00 0.82 0.00 0.00 66.70 66.47 2cvi h VAL 18 Cb 0.01 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 31.01 2cvi h VAL 18 CO -0.04 0.39 0.37 -0.03 0.02 0.00 0.00 177.57 178.27 2cvi h MET 19 N 0.51 0.68 -0.20 1.57 4.05 0.21 0.45 114.93 122.20 2cvi h MET 19 Ca 0.09 -0.04 -0.15 0.00 -0.28 0.00 0.00 59.70 59.32 2cvi h MET 19 Cb 0.61 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.25 2cvi h MET 19 CO 0.04 0.45 -0.50 0.93 0.23 0.00 0.00 176.91 178.06 2cvi h GLU 20 N 0.70 0.55 -0.33 0.39 4.39 -0.51 0.14 114.58 119.91 2cvi h GLU 20 Ca 0.27 -0.32 -0.11 0.00 0.34 0.00 0.00 59.36 59.54 2cvi h GLU 20 Cb 0.12 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2cvi h GLU 20 CO -0.15 0.92 -0.24 0.87 -1.16 0.00 0.00 179.01 179.25 2cvi h LYS 21 N 0.44 0.66 -0.08 2.33 1.57 -0.73 -2.58 116.57 118.18 2cvi h LYS 21 Ca 0.02 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.52 2cvi h LYS 21 Cb 1.02 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 2cvi h LYS 21 CO 0.09 0.85 -0.01 -0.07 -0.57 0.00 0.00 179.45 179.73 2cvi h LEU 22 N 0.58 0.14 -2.40 2.94 3.38 0.22 -3.05 115.31 117.12 2cvi h LEU 22 Ca 0.08 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2cvi h LEU 22 Cb 0.72 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 2cvi h LEU 22 CO 0.06 0.47 0.01 -0.07 0.09 0.00 0.00 178.44 178.99 2cvi h LEU 23 N -0.18 0.00 -0.26 1.67 3.38 -0.69 -0.18 115.31 119.06 2cvi h LEU 23 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2cvi h LEU 23 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2cvi h LEU 23 CO 0.01 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.54 2cvi n ALA 24 N -2.35 2.00 -2.05 1.53 0.00 -0.98 -4.77 120.51 113.89 2cvi n ALA 24 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.01 2cvi n ALA 24 Cb 0.09 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.07 2cvi n ALA 24 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2cvi s MET 25 N -3.16 4.76 0.48 0.00 -1.94 -0.08 -4.95 119.30 114.41 2cvi s MET 25 Ca 0.08 1.45 0.17 0.00 -1.71 0.00 0.00 55.69 55.68 2cvi s MET 25 Cb 0.12 -3.33 1.17 0.00 2.01 0.00 0.00 34.83 34.80 2cvi s MET 25 CO 0.48 0.35 2.04 -1.00 -0.01 0.00 0.00 175.02 176.88 2cvi h PRO 26 N 4.96 0.20 0.00 2.03 0.13 -1.86 -1.78 132.00 135.68 2cvi h PRO 26 Ca -0.44 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.60 2cvi h PRO 26 Cb 1.21 -0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 2cvi h PRO 26 CO 0.70 0.13 -0.38 0.93 -0.23 0.00 0.00 178.00 179.15 2cvi h GLU 27 N 0.21 0.00 -5.90 0.86 3.07 -1.92 -3.43 114.58 107.46 2cvi h GLU 27 Ca 0.18 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.45 2cvi h GLU 27 Cb 0.45 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.28 2cvi h GLU 27 CO -0.03 0.38 0.56 0.08 -1.40 0.00 0.00 179.01 178.60 2cvi s VAL 28 N -3.77 4.76 -0.20 3.13 1.01 -0.67 -1.81 120.40 122.84 2cvi s VAL 28 Ca -0.01 1.57 0.17 0.00 0.00 0.00 0.00 61.98 63.71 2cvi s VAL 28 Cb 0.12 -4.20 -0.25 0.00 0.00 0.00 0.00 36.38 32.06 2cvi s VAL 28 CO 0.69 -0.19 0.06 0.29 0.00 0.00 0.00 175.10 175.95 2cvi n LYS 29 N 6.23 0.71 -3.71 2.72 4.76 0.15 -4.78 118.16 124.23 2cvi n LYS 29 Ca 0.07 -0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.37 2cvi n LYS 29 Cb 0.47 -1.52 -0.08 0.00 -1.84 0.00 0.00 35.03 32.07 2cvi n LYS 29 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2cvi s GLU 30 N -2.49 0.76 -0.08 1.97 2.02 -1.16 -4.99 118.70 114.74 2cvi s GLU 30 Ca -0.11 -0.14 -0.10 0.00 0.02 0.00 0.00 54.97 54.64 2cvi s GLU 30 Cb 0.06 0.34 0.02 0.00 0.10 0.00 0.00 34.13 34.66 2cvi s GLU 30 CO 0.82 -0.22 0.26 0.00 0.02 0.00 0.00 175.26 176.13 2cvi s ALA 31 N -1.45 -0.64 -0.02 5.21 0.00 -1.26 -0.87 121.76 122.72 2cvi s ALA 31 Ca -0.12 0.61 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2cvi s ALA 31 Cb -0.04 -0.32 0.03 0.00 0.00 0.00 0.00 23.12 22.79 2cvi s ALA 31 CO 0.04 -0.15 0.02 0.71 0.00 0.00 0.00 175.76 176.39 2cvi s TYR 32 N -0.19 0.09 0.08 0.00 2.02 0.06 -5.00 117.35 114.41 2cvi s TYR 32 Ca -0.03 0.10 -0.30 0.00 -0.37 0.00 0.00 57.07 56.47 2cvi s TYR 32 Cb -0.03 -0.28 -0.05 0.00 -0.40 0.00 0.00 41.96 41.20 2cvi s TYR 32 CO 0.01 -0.10 1.01 0.08 -1.57 0.00 0.00 175.55 174.98 2cvi s VAL 33 N 1.09 4.47 0.08 0.71 1.01 -1.26 -1.13 120.40 125.36 2cvi s VAL 33 Ca -0.09 1.94 -0.01 0.00 0.00 0.00 0.00 61.98 63.82 2cvi s VAL 33 Cb -0.13 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.97 2cvi s VAL 33 CO -0.03 0.25 0.01 0.68 0.00 0.00 0.00 175.10 176.00 2cvi s VAL 34 N 0.36 0.17 -0.10 2.92 -7.23 -0.39 -4.97 120.40 111.17 2cvi s VAL 34 Ca 0.50 -1.85 0.01 0.00 -1.81 0.00 0.00 61.98 58.82 2cvi s VAL 34 Cb -0.24 -1.74 -0.02 0.00 0.56 0.00 0.00 36.38 34.94 2cvi s VAL 34 CO 0.30 -0.78 -0.11 -0.31 -0.31 0.00 0.00 175.10 173.89 2cvi s TYR 35 N -3.97 2.82 -4.66 2.82 4.12 -1.26 -4.32 117.35 112.90 2cvi s TYR 35 Ca 0.14 -0.36 0.00 0.00 0.02 0.00 0.00 57.07 56.87 2cvi s TYR 35 Cb 0.08 -1.77 0.00 0.00 -1.52 0.00 0.00 41.96 38.74 2cvi s TYR 35 CO -0.05 0.00 0.00 0.41 0.02 0.00 0.00 175.55 175.93 2cvi n GLY 36 N 2.98 0.05 0.27 0.71 0.00 -1.26 -4.90 105.19 103.04 2cvi n GLY 36 Ca -0.18 -1.12 0.03 0.00 0.00 0.00 0.00 46.02 44.75 2cvi n GLY 36 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2cvi h GLU 37 N 0.00 0.39 -6.17 1.61 4.81 -2.00 -3.43 114.58 109.79 2cvi h GLU 37 Ca 0.00 -0.06 -0.59 0.00 -0.13 0.00 0.00 59.36 58.58 2cvi h GLU 37 Cb 0.00 -0.07 -0.12 0.00 0.63 0.00 0.00 28.75 29.19 2cvi h GLU 37 CO 0.00 0.39 -0.71 0.71 -0.73 0.00 0.00 179.01 178.67 2cvi s TYR 38 N -5.07 2.44 -0.14 0.92 2.02 -1.26 -4.93 117.35 111.33 2cvi s TYR 38 Ca -0.07 -0.32 0.18 0.00 -0.37 0.00 0.00 57.07 56.48 2cvi s TYR 38 Cb 0.16 -1.13 -0.24 0.00 -0.40 0.00 0.00 41.96 40.35 2cvi s TYR 38 CO 0.74 0.66 0.34 -0.25 -1.57 0.00 0.00 175.55 175.46 2cvi n ASP 39 N -0.75 0.26 -3.84 2.29 8.00 0.39 -4.32 116.55 118.59 2cvi n ASP 39 Ca -0.05 0.12 -0.12 0.00 0.71 0.00 0.00 54.79 55.44 2cvi n ASP 39 Cb 0.60 0.87 -0.12 0.00 -0.02 0.00 0.00 41.12 42.45 2cvi n ASP 39 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2cvi s LEU 40 N -5.47 1.51 -0.08 0.64 2.96 -0.91 -1.26 118.68 116.06 2cvi s LEU 40 Ca -0.08 0.19 0.03 0.00 -0.22 0.00 0.00 54.13 54.05 2cvi s LEU 40 Cb 0.08 0.49 0.01 0.00 0.50 0.00 0.00 46.19 47.27 2cvi s LEU 40 CO 0.84 -0.10 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.97 2cvi s ILE 41 N -0.18 1.51 -0.03 6.68 1.01 -0.28 -0.61 121.20 129.30 2cvi s ILE 41 Ca -0.03 -0.70 0.04 0.00 0.00 0.00 0.00 60.65 59.97 2cvi s ILE 41 Cb -0.02 -1.34 -0.00 0.00 0.01 0.00 0.00 42.46 41.11 2cvi s ILE 41 CO 0.00 0.44 -0.15 0.68 0.00 0.00 0.00 174.94 175.91 2cvi s VAL 42 N 0.54 1.23 -0.23 2.92 -7.23 -0.58 -0.76 120.40 116.28 2cvi s VAL 42 Ca -0.16 -0.62 -0.09 0.00 -1.81 0.00 0.00 61.98 59.30 2cvi s VAL 42 Cb -0.17 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.67 2cvi s VAL 42 CO 0.06 0.36 0.12 -0.75 -0.31 0.00 0.00 175.10 174.58 2cvi s LYS 43 N -0.02 3.95 0.14 4.82 2.20 -0.05 -0.31 119.74 130.47 2cvi s LYS 43 Ca -0.01 -0.34 0.09 0.00 -0.36 0.00 0.00 55.97 55.36 2cvi s LYS 43 Cb -0.10 -3.42 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 2cvi s LYS 43 CO 0.01 0.04 -0.22 0.14 -0.36 0.00 0.00 175.35 174.96 2cvi s VAL 44 N 1.06 1.97 -0.05 4.02 -7.23 0.13 -0.67 120.40 119.63 2cvi s VAL 44 Ca 0.06 -1.76 0.02 0.00 -1.81 0.00 0.00 61.98 58.50 2cvi s VAL 44 Cb -0.14 -1.81 0.01 0.00 0.56 0.00 0.00 36.38 35.00 2cvi s VAL 44 CO 0.04 -0.09 -0.11 -1.61 -0.31 0.00 0.00 175.10 173.02 2cvi s GLU 45 N -2.27 1.44 0.13 4.82 2.02 -0.75 -0.96 118.70 123.13 2cvi s GLU 45 Ca 0.13 -0.37 0.02 0.00 0.02 0.00 0.00 54.97 54.77 2cvi s GLU 45 Cb -0.09 -1.24 -0.04 0.00 0.10 0.00 0.00 34.13 32.86 2cvi s GLU 45 CO 0.06 0.05 -0.05 0.95 0.02 0.00 0.00 175.26 176.30 2cvi s THR 46 N 0.54 0.72 0.14 3.63 -4.23 -0.21 -4.64 115.64 111.59 2cvi s THR 46 Ca -0.11 -1.96 -0.14 0.00 -1.18 0.00 0.00 61.69 58.30 2cvi s THR 46 Cb -0.14 -1.84 -0.00 0.00 1.34 0.00 0.00 72.50 71.86 2cvi s THR 46 CO 0.02 -0.73 1.59 0.44 -0.54 0.00 0.00 174.62 175.41 2cvi h ASP 47 N 2.86 0.76 -4.96 3.99 3.32 -1.95 0.34 116.42 120.77 2cvi h ASP 47 Ca -0.36 -0.30 -0.27 0.00 0.02 0.00 0.00 57.03 56.13 2cvi h ASP 47 Cb 1.18 -0.20 -0.15 0.00 0.22 0.00 0.00 39.33 40.38 2cvi h ASP 47 CO 0.64 0.87 -0.64 0.42 -1.72 0.00 0.00 179.24 178.81 2cvi s THR 48 N -5.05 0.36 0.28 0.35 -4.23 -1.26 -4.19 115.64 101.91 2cvi s THR 48 Ca -0.13 -1.97 0.01 0.00 -1.18 0.00 0.00 61.69 58.42 2cvi s THR 48 Cb 0.11 -2.32 0.12 0.00 1.34 0.00 0.00 72.50 71.74 2cvi s THR 48 CO 0.80 -0.24 1.78 -0.07 -0.54 0.00 0.00 174.62 176.35 2cvi h LEU 49 N 2.64 0.63 -0.95 4.79 3.38 -1.98 -2.18 115.31 121.64 2cvi h LEU 49 Ca -0.37 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.45 2cvi h LEU 49 Cb 1.22 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.76 2cvi h LEU 49 CO 0.59 0.74 0.61 0.50 0.09 0.00 0.00 178.44 180.96 2cvi h LYS 50 N 0.61 1.26 -0.63 1.13 3.64 -1.99 0.12 116.57 120.71 2cvi h LYS 50 Ca 0.12 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.35 2cvi h LYS 50 Cb 0.46 -0.28 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 2cvi h LYS 50 CO 0.02 0.86 0.17 -0.44 -2.27 0.00 0.00 179.45 177.79 2cvi h ASP 51 N 1.29 0.94 -0.60 4.20 3.32 -1.87 -1.40 116.42 122.30 2cvi h ASP 51 Ca 0.34 -0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 2cvi h ASP 51 Cb -0.11 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.17 2cvi h ASP 51 CO -0.07 0.91 0.24 0.25 -1.72 0.00 0.00 179.24 178.86 2cvi h LEU 52 N 0.91 0.82 -0.58 1.55 5.85 -0.74 -1.18 115.31 121.94 2cvi h LEU 52 Ca 0.20 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.76 2cvi h LEU 52 Cb 0.33 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2cvi h LEU 52 CO -0.00 0.77 0.38 -0.78 -0.34 0.00 0.00 178.44 178.46 2cvi h ASP 53 N 0.83 0.65 -0.33 1.25 3.58 -0.49 -1.12 116.42 120.79 2cvi h ASP 53 Ca 0.20 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.55 2cvi h ASP 53 Cb 0.20 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.07 2cvi h ASP 53 CO -0.02 0.46 -0.09 1.56 -2.88 0.00 0.00 179.24 178.27 2cvi h GLN 54 N 0.77 0.75 -0.29 0.28 4.20 -1.07 -0.53 115.11 119.21 2cvi h GLN 54 Ca 0.22 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.69 2cvi h GLN 54 Cb -0.06 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.64 2cvi h GLN 54 CO -0.06 0.82 0.16 0.35 -0.67 0.00 0.00 178.83 179.43 2cvi h PHE 55 N 0.68 0.40 -0.41 2.96 3.57 -0.67 0.92 116.94 124.39 2cvi h PHE 55 Ca 0.12 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 2cvi h PHE 55 Cb 0.56 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2cvi h PHE 55 CO 0.03 0.33 -0.02 0.82 -2.23 0.00 0.00 178.31 177.24 2cvi h ILE 56 N 0.35 1.26 0.00 1.41 2.04 -0.94 -1.57 117.51 120.07 2cvi h ILE 56 Ca 0.10 -1.05 -0.19 0.00 1.00 0.00 0.00 64.86 64.72 2cvi h ILE 56 Cb 0.07 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.24 2cvi h ILE 56 CO -0.02 0.36 -1.68 0.35 0.00 0.00 0.00 178.15 177.16 2cvi n THR 57 N -4.41 1.11 -0.10 -0.27 -2.24 -0.23 -4.17 114.28 103.97 2cvi n THR 57 Ca -0.01 -0.71 -0.13 0.00 -2.27 0.00 0.00 64.05 60.94 2cvi n THR 57 Cb 0.30 -0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 67.87 2cvi n THR 57 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2cvi n GLU 58 N -2.80 0.54 -0.20 -0.78 1.02 0.30 -4.24 120.64 114.47 2cvi n GLU 58 Ca -0.14 0.23 -0.07 0.00 -0.02 0.00 0.00 57.16 57.17 2cvi n GLU 58 Cb 0.88 -1.45 0.03 0.00 -0.02 0.00 0.00 31.44 30.88 2cvi n GLU 58 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2cvi h LYS 59 N -1.00 0.80 -0.05 3.49 3.64 -1.21 -2.38 116.57 119.85 2cvi h LYS 59 Ca -0.13 -0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.13 2cvi h LYS 59 Cb 1.10 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 2cvi h LYS 59 CO -0.08 0.59 -0.15 0.82 -2.27 0.00 0.00 179.45 178.36 2cvi h ILE 60 N 0.79 1.13 0.00 2.00 1.08 -1.46 -1.77 117.51 119.28 2cvi h ILE 60 Ca 0.21 -0.62 0.00 0.00 -0.39 0.00 0.00 64.86 64.06 2cvi h ILE 60 Cb 0.00 1.26 0.00 0.00 -3.07 0.00 0.00 36.82 35.02 2cvi h ILE 60 CO -0.04 0.18 0.00 0.54 -0.69 0.00 0.00 178.15 178.15 2cvi n ARG 61 N -4.33 0.10 0.06 2.37 1.74 -0.90 -1.51 116.66 114.19 2cvi n ARG 61 Ca -0.02 0.22 0.12 0.00 -0.77 0.00 0.00 57.85 57.40 2cvi n ARG 61 Cb 0.24 -1.50 0.47 0.00 -1.02 0.00 0.00 32.46 30.65 2cvi n ARG 61 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2cvi n LYS 62 N -1.39 0.13 -3.91 5.56 5.02 -0.66 -4.21 118.16 118.70 2cvi n LYS 62 Ca 0.05 0.20 -0.30 0.00 -2.02 0.00 0.00 58.31 56.23 2cvi n LYS 62 Cb 0.12 -1.68 -0.13 0.00 -0.02 0.00 0.00 35.03 33.32 2cvi n LYS 62 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2cvi s MET 63 N -3.10 2.17 0.00 1.97 -1.94 -0.57 -4.95 119.30 112.88 2cvi s MET 63 Ca 0.10 -2.81 0.05 0.00 -1.71 0.00 0.00 55.69 51.31 2cvi s MET 63 Cb 0.13 -3.39 0.23 0.00 2.01 0.00 0.00 34.83 33.81 2cvi s MET 63 CO 0.49 -1.16 1.03 -0.35 -0.01 0.00 0.00 175.02 175.01 2cvi n PRO 64 N 2.84 0.05 0.26 2.03 -0.04 -1.26 -1.05 135.00 137.83 2cvi n PRO 64 Ca 0.09 0.29 0.14 0.00 -0.04 0.00 0.00 63.50 63.99 2cvi n PRO 64 Cb 0.33 -1.50 0.69 0.00 -0.04 0.00 0.00 33.50 32.98 2cvi n PRO 64 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2cvi h GLU 65 N 0.00 0.00 -5.77 0.54 3.07 -1.92 -3.39 114.58 107.11 2cvi h GLU 65 Ca 0.00 0.00 -0.63 0.00 -0.50 0.00 0.00 59.36 58.23 2cvi h GLU 65 Cb 0.05 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 27.84 2cvi h GLU 65 CO 0.00 0.10 0.35 0.42 -1.40 0.00 0.00 179.01 178.48 2cvi s ILE 66 N -3.87 4.67 -0.10 3.13 1.01 -0.21 -1.09 121.20 124.74 2cvi s ILE 66 Ca -0.01 0.50 0.16 0.00 0.00 0.00 0.00 60.65 61.30 2cvi s ILE 66 Cb 0.11 -4.29 -0.17 0.00 0.01 0.00 0.00 42.46 38.12 2cvi s ILE 66 CO 0.57 -0.65 0.75 0.00 0.00 0.00 0.00 174.94 175.60 2cvi n GLN 67 N 6.64 0.63 -3.68 2.79 6.02 0.05 -4.95 117.38 124.87 2cvi n GLN 67 Ca 0.02 0.23 -0.14 0.00 -0.01 0.00 0.00 57.00 57.11 2cvi n GLN 67 Cb 0.48 -1.79 -0.08 0.00 1.02 0.00 0.00 30.24 29.87 2cvi n GLN 67 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 2cvi s MET 68 N -2.82 0.68 0.05 -1.09 0.00 -1.15 -4.98 119.30 109.99 2cvi s MET 68 Ca -0.04 0.81 0.04 0.00 0.00 0.00 0.00 55.69 56.50 2cvi s MET 68 Cb 0.08 0.33 -0.02 0.00 0.00 0.00 0.00 34.83 35.22 2cvi s MET 68 CO 0.82 -0.08 -0.11 0.95 0.00 0.00 0.00 175.02 176.59 2cvi s THR 69 N 0.32 0.86 -0.08 10.11 -4.23 -1.26 -0.69 115.64 120.67 2cvi s THR 69 Ca -0.00 -1.08 -0.01 0.00 -1.18 0.00 0.00 61.69 59.42 2cvi s THR 69 Cb -0.04 -0.84 0.03 0.00 1.34 0.00 0.00 72.50 72.98 2cvi s THR 69 CO 0.01 -0.21 -0.02 -0.55 -0.54 0.00 0.00 174.62 173.31 2cvi s SER 70 N -1.44 1.61 -0.12 3.99 0.15 -0.28 -4.98 113.70 112.63 2cvi s SER 70 Ca -0.04 -0.14 -0.03 0.00 0.70 0.00 0.00 55.95 56.45 2cvi s SER 70 Cb -0.09 -0.53 -0.03 0.00 -1.71 0.00 0.00 66.02 63.66 2cvi s SER 70 CO 0.01 -0.15 -0.02 -0.89 1.20 0.00 0.00 173.24 173.39 2cvi s THR 71 N 1.72 4.06 -0.31 6.45 2.01 -1.26 -0.80 115.64 127.50 2cvi s THR 71 Ca 0.02 -0.32 -0.05 0.00 0.31 0.00 0.00 61.69 61.65 2cvi s THR 71 Cb -0.13 -2.74 0.03 0.00 0.01 0.00 0.00 72.50 69.68 2cvi s THR 71 CO -0.05 0.55 0.06 -0.04 -0.69 0.00 0.00 174.62 174.45 2cvi s MET 72 N -0.25 2.76 -0.14 4.92 -1.94 0.37 -4.98 119.30 120.03 2cvi s MET 72 Ca 0.05 -1.07 -0.26 0.00 -1.71 0.00 0.00 55.69 52.70 2cvi s MET 72 Cb -0.13 -3.34 -0.02 0.00 2.01 0.00 0.00 34.83 33.36 2cvi s MET 72 CO 0.02 -0.56 0.84 0.42 -0.01 0.00 0.00 175.02 175.73 2cvi s ILE 73 N 1.40 4.89 0.03 2.53 1.01 -1.26 -1.39 121.20 128.41 2cvi s ILE 73 Ca -0.01 1.66 -0.30 0.00 0.00 0.00 0.00 60.65 62.00 2cvi s ILE 73 Cb -0.18 -4.15 -0.06 0.00 0.01 0.00 0.00 42.46 38.08 2cvi s ILE 73 CO 0.01 0.06 1.35 0.00 0.00 0.00 0.00 174.94 176.36 2cvi s ALA 74 N 1.91 3.54 -0.20 9.38 0.00 0.06 -4.87 121.76 131.58 2cvi s ALA 74 Ca 0.40 0.91 0.04 0.00 0.00 0.00 0.00 51.96 53.31 2cvi s ALA 74 Cb -0.17 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.35 2cvi s ALA 74 CO 0.14 -0.75 0.19 0.44 0.00 0.00 0.00 175.76 175.78 2cvi n ILE 75 N 4.38 0.00 -3.57 0.00 -5.35 -1.26 -4.69 119.36 108.87 2cvi n ILE 75 Ca 0.12 -0.38 -0.16 0.00 -0.27 0.00 0.00 62.75 62.06 2cvi n ILE 75 Cb 0.44 0.97 -0.06 0.00 -1.74 0.00 0.00 39.64 39.25 2cvi n ILE 75 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2cvi s LEU 76 N -2.26 -0.67 0.00 7.28 2.96 -1.26 -5.18 118.68 119.55 2cvi s LEU 76 Ca 0.02 1.00 0.00 0.00 -0.22 0.00 0.00 54.13 54.92 2cvi s LEU 76 Cb 0.03 2.45 0.00 0.00 0.50 0.00 0.00 46.19 49.18 2cvi s LEU 76 CO 0.19 -0.44 0.00 -1.84 -1.32 0.00 0.00 176.35 172.94 2cvi n GLU 77 N 1.65 0.00 0.00 1.98 -0.00 -1.26 -5.04 120.64 117.97 2cvi n GLU 77 Ca -0.16 0.00 0.05 0.00 -0.00 0.00 0.00 57.16 57.05 2cvi n GLU 77 Cb 0.56 0.00 0.24 0.00 -0.00 0.00 0.00 31.44 32.24 2cvi n GLU 77 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.13 174.74 2cvi n HIS 78 N 0.00 0.00 1.30 -1.84 1.44 -1.26 -0.94 115.22 113.92 2cvi n HIS 78 Ca 0.00 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.84 2cvi n HIS 78 Cb 0.00 -0.42 0.48 0.00 0.12 0.00 0.00 29.99 30.17 2cvi n HIS 78 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2cvi n HIS 79 N -1.42 0.00 -1.82 -1.40 8.25 -1.26 -4.52 115.22 113.04 2cvi n HIS 79 Ca 0.03 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.07 2cvi n HIS 79 Cb 0.11 -0.16 -0.03 0.00 1.12 0.00 0.00 29.99 31.03 2cvi n HIS 79 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2cvi s HIS 80 N -2.51 1.71 0.00 4.41 2.46 -0.12 -0.86 115.29 120.38 2cvi s HIS 80 Ca 0.26 -0.12 0.00 0.00 0.47 0.00 0.00 55.06 55.67 2cvi s HIS 80 Cb 0.20 -4.09 0.00 0.00 -0.13 0.00 0.00 32.58 28.55 2cvi s HIS 80 CO 0.50 -4.74 0.00 0.72 -2.47 0.00 0.00 174.74 168.76 2cvi n HIS 81 N 7.05 0.00 -3.31 3.88 8.25 -1.26 -4.86 115.22 124.97 2cvi n HIS 81 Ca 0.18 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.39 2cvi n HIS 81 Cb 0.41 -1.40 -0.08 0.00 1.12 0.00 0.00 29.99 30.05 2cvi n HIS 81 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2cvi n HIS 82 N -2.07 0.84 -0.77 4.41 8.25 -0.04 -5.25 115.22 120.58 2cvi n HIS 82 Ca 0.00 -3.73 0.00 0.00 -0.26 0.00 0.00 57.72 53.73 2cvi n HIS 82 Cb 0.17 -0.35 0.00 0.00 1.12 0.00 0.00 29.99 30.93 2cvi n HIS 82 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59