#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v85 h SER 2 N 0.00 0.00 -2.94 1.61 4.64 -2.10 -3.42 113.55 111.34 1v85 h SER 2 Ca 0.00 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.75 1v85 h SER 2 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 1v85 h SER 2 CO 0.00 0.01 0.87 -0.94 -0.87 0.00 0.00 176.83 175.89 1v85 s SER 3 N -5.41 6.97 0.40 4.97 1.04 -1.26 -4.84 113.70 115.57 1v85 s SER 3 Ca -0.03 1.70 0.00 0.00 0.48 0.00 0.00 55.95 58.10 1v85 s SER 3 Cb 0.12 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.70 1v85 s SER 3 CO 0.47 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.57 1v85 n GLY 4 N 3.56 -2.17 3.80 7.32 0.00 -1.26 -5.04 105.19 111.40 1v85 n GLY 4 Ca 0.13 -1.03 -0.05 0.00 0.00 0.00 0.00 46.02 45.07 1v85 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v85 s SER 5 N -6.89 -0.22 0.18 1.61 0.01 -1.26 -5.02 113.70 102.12 1v85 s SER 5 Ca 0.00 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 56.78 1v85 s SER 5 Cb 0.00 0.59 -0.05 0.00 0.21 0.00 0.00 66.02 66.78 1v85 s SER 5 CO 0.00 -1.10 0.05 -0.44 0.41 0.00 0.00 173.24 172.16 1v85 s SER 6 N -2.93 0.90 0.00 2.44 0.01 -1.26 -5.15 113.70 107.71 1v85 s SER 6 Ca 0.12 -1.24 0.00 0.00 1.31 0.00 0.00 55.95 56.13 1v85 s SER 6 Cb -0.03 0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.39 1v85 s SER 6 CO 0.04 -0.66 0.00 0.61 0.41 0.00 0.00 173.24 173.64 1v85 n GLY 7 N -0.26 4.16 3.13 3.44 0.00 -1.26 -5.15 105.19 109.25 1v85 n GLY 7 Ca -0.04 -0.58 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 1v85 n GLY 7 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1v85 s GLU 8 N -3.34 1.86 -0.66 1.61 8.01 -1.26 -5.09 118.70 119.82 1v85 s GLU 8 Ca 0.00 -0.60 -0.01 0.00 0.01 0.00 0.00 54.97 54.36 1v85 s GLU 8 Cb 0.00 -1.59 0.17 0.00 -4.31 0.00 0.00 34.13 28.40 1v85 s GLU 8 CO 0.00 0.21 0.48 -1.58 0.01 0.00 0.00 175.26 174.38 1v85 s HIS 9 N 0.14 3.46 0.00 1.61 2.46 -1.26 -4.66 115.29 117.04 1v85 s HIS 9 Ca -0.06 -2.88 0.00 0.00 0.47 0.00 0.00 55.06 52.59 1v85 s HIS 9 Cb -0.12 -3.12 0.00 0.00 -0.13 0.00 0.00 32.58 29.21 1v85 s HIS 9 CO 0.03 -0.79 0.00 0.41 -2.47 0.00 0.00 174.74 171.92 1v85 n GLY 10 N 3.11 0.46 0.00 1.59 0.00 -1.26 -4.94 105.19 104.15 1v85 n GLY 10 Ca 0.11 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.21 1v85 n GLY 10 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1v85 n LEU 11 N 0.00 0.00 0.16 0.99 -0.00 -1.26 -3.34 117.00 113.55 1v85 n LEU 11 Ca 0.00 0.18 -0.07 0.00 -0.00 0.00 0.00 56.01 56.12 1v85 n LEU 11 Cb 0.00 -0.18 -0.04 0.00 -0.00 0.00 0.00 43.42 43.20 1v85 n LEU 11 CO 0.00 -0.09 0.20 -0.07 -0.00 0.00 0.00 177.39 177.43 1v85 h LEU 12 N 0.00 -0.41 -0.72 1.47 3.38 -1.87 -2.64 115.31 114.51 1v85 h LEU 12 Ca 0.00 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.07 1v85 h LEU 12 Cb 0.09 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 1v85 h LEU 12 CO 0.00 0.01 0.38 -0.37 0.09 0.00 0.00 178.44 178.55 1v85 h VAL 13 N -1.10 0.89 -0.64 1.22 -1.51 -1.84 -1.82 116.25 111.45 1v85 h VAL 13 Ca -0.05 -0.23 0.05 0.00 -1.23 0.00 0.00 66.70 65.24 1v85 h VAL 13 Cb 0.37 0.17 -0.05 0.00 -2.13 0.00 0.00 31.29 29.65 1v85 h VAL 13 CO 0.08 0.12 0.36 -0.74 -1.23 0.00 0.00 177.57 176.16 1v85 h HIS 14 N 0.67 0.66 -3.33 5.19 -0.00 -1.66 -3.42 115.15 113.25 1v85 h HIS 14 Ca 0.35 0.02 -0.56 0.00 -0.00 0.00 0.00 60.37 60.18 1v85 h HIS 14 Cb 0.32 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 27.48 1v85 h HIS 14 CO -0.09 0.33 0.01 0.21 -0.00 0.00 0.00 177.93 178.39 1v85 s LYS 15 N -6.10 4.24 0.27 5.26 2.20 -0.69 -4.97 119.74 119.96 1v85 s LYS 15 Ca -0.13 0.80 -0.30 0.00 -0.36 0.00 0.00 55.97 55.98 1v85 s LYS 15 Cb 0.15 -3.17 -0.10 0.00 -1.51 0.00 0.00 37.83 33.20 1v85 s LYS 15 CO 0.76 0.59 1.40 0.00 -0.36 0.00 0.00 175.35 177.73 1v85 s ALA 16 N -1.20 3.59 0.42 3.13 0.00 -1.26 -4.81 121.76 121.62 1v85 s ALA 16 Ca 0.33 1.32 0.10 0.00 0.00 0.00 0.00 51.96 53.70 1v85 s ALA 16 Cb -0.19 -3.54 0.89 0.00 0.00 0.00 0.00 23.12 20.28 1v85 s ALA 16 CO 0.20 -0.73 1.99 0.28 0.00 0.00 0.00 175.76 177.50 1v85 h VAL 17 N 3.39 1.13 0.00 0.00 2.07 -1.85 -0.97 116.25 120.02 1v85 h VAL 17 Ca -0.47 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.53 1v85 h VAL 17 Cb 1.22 1.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1v85 h VAL 17 CO 0.74 0.17 0.00 -0.90 0.02 0.00 0.00 177.57 177.60 1v85 n ASP 18 N -4.36 0.00 -0.30 0.57 5.75 -1.26 -1.11 116.55 115.84 1v85 n ASP 18 Ca -0.00 -0.01 0.03 0.00 -0.01 0.00 0.00 54.79 54.79 1v85 n ASP 18 Cb 0.19 -0.19 0.06 0.00 -1.03 0.00 0.00 41.12 40.15 1v85 n ASP 18 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1v85 n LYS 19 N -1.19 1.90 -1.70 0.11 4.01 -0.37 -4.03 118.16 116.90 1v85 n LYS 19 Ca 0.06 -1.48 -0.29 0.00 -0.51 0.00 0.00 58.31 56.09 1v85 n LYS 19 Cb 0.07 -1.13 0.10 0.00 -0.51 0.00 0.00 35.03 33.56 1v85 n LYS 19 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 1v85 s TRP 20 N -0.83 2.79 0.22 2.13 0.52 -0.26 -5.00 118.94 118.51 1v85 s TRP 20 Ca 0.10 0.89 0.11 0.00 0.02 0.00 0.00 56.10 57.22 1v85 s TRP 20 Cb 0.06 -3.35 -0.05 0.00 -1.15 0.00 0.00 33.47 28.98 1v85 s TRP 20 CO 0.08 -1.95 -0.21 0.95 0.02 0.00 0.00 176.95 175.83 1v85 s THR 21 N -3.37 2.29 0.52 2.01 -4.23 -1.26 -3.63 115.64 107.97 1v85 s THR 21 Ca 0.62 -2.16 0.41 0.00 -1.18 0.00 0.00 61.69 59.38 1v85 s THR 21 Cb -0.13 -2.15 0.61 0.00 1.34 0.00 0.00 72.50 72.17 1v85 s THR 21 CO 0.52 -0.27 1.37 0.41 -0.54 0.00 0.00 174.62 176.11 1v85 n THR 22 N -0.09 0.00 0.03 3.99 -1.04 -1.26 0.32 114.28 116.23 1v85 n THR 22 Ca -0.10 1.31 -0.06 0.00 -2.04 0.00 0.00 64.05 63.17 1v85 n THR 22 Cb 0.58 -2.22 -0.04 0.00 -1.82 0.00 0.00 70.33 66.83 1v85 n THR 22 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 1v85 h GLU 23 N 0.00 -0.17 -0.97 -2.82 4.81 -1.94 -3.21 114.58 110.27 1v85 h GLU 23 Ca 0.77 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 60.05 1v85 h GLU 23 Cb 3.29 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 32.65 1v85 h GLU 23 CO -0.01 0.08 0.64 0.93 -0.73 0.00 0.00 179.01 179.91 1v85 h GLU 24 N -1.01 1.19 -0.55 1.92 4.39 -0.51 -1.77 114.58 118.23 1v85 h GLU 24 Ca -0.02 -0.07 0.11 0.00 0.34 0.00 0.00 59.36 59.72 1v85 h GLU 24 Cb 0.33 -0.27 -0.09 0.00 -0.10 0.00 0.00 28.75 28.62 1v85 h GLU 24 CO 0.03 0.79 0.02 0.28 -1.16 0.00 0.00 179.01 178.96 1v85 h VAL 25 N 1.22 0.57 -0.11 3.13 2.07 -0.79 0.36 116.25 122.72 1v85 h VAL 25 Ca 0.39 -0.05 -0.14 0.00 0.82 0.00 0.00 66.70 67.73 1v85 h VAL 25 Cb 0.02 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.20 1v85 h VAL 25 CO -0.13 0.02 -0.53 0.58 0.02 0.00 0.00 177.57 177.53 1v85 h VAL 26 N 0.13 1.35 0.30 2.57 2.07 -1.45 -2.97 116.25 118.26 1v85 h VAL 26 Ca 0.28 -1.81 -0.01 0.00 0.82 0.00 0.00 66.70 65.97 1v85 h VAL 26 Cb 0.44 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1v85 h VAL 26 CO -0.45 0.54 -0.15 -0.07 0.02 0.00 0.00 177.57 177.46 1v85 h LEU 27 N 0.23 -0.35 -0.98 2.57 3.38 -0.23 0.37 115.31 120.30 1v85 h LEU 27 Ca 0.00 -0.04 0.08 0.00 0.09 0.00 0.00 57.88 58.02 1v85 h LEU 27 Cb 1.02 0.09 -0.07 0.00 0.09 0.00 0.00 40.66 41.79 1v85 h LEU 27 CO 0.09 -0.18 0.62 -0.25 0.09 0.00 0.00 178.44 178.81 1v85 h TRP 28 N -0.49 1.15 0.00 1.13 7.01 -1.03 -0.58 115.95 123.14 1v85 h TRP 28 Ca -0.04 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 60.89 1v85 h TRP 28 Cb 0.37 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 27.04 1v85 h TRP 28 CO -0.04 0.55 -0.49 1.25 -2.79 0.00 0.00 178.44 176.92 1v85 h LEU 29 N 1.08 0.00 0.00 0.65 5.85 -1.34 -2.91 115.31 118.65 1v85 h LEU 29 Ca 0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.16 1v85 h LEU 29 Cb 0.27 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.30 1v85 h LEU 29 CO -0.20 0.49 0.00 -0.62 -0.34 0.00 0.00 178.44 177.77 1v85 n GLU 30 N -3.47 0.89 -0.04 1.25 1.02 0.13 -2.90 120.64 117.52 1v85 n GLU 30 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 1v85 n GLU 30 Cb 0.62 -1.05 -0.07 0.00 -0.02 0.00 0.00 31.44 30.92 1v85 n GLU 30 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1v85 n GLN 31 N -0.55 2.29 0.26 3.49 6.02 -1.10 -4.54 117.38 123.25 1v85 n GLN 31 Ca 0.02 -0.02 0.10 0.00 -0.01 0.00 0.00 57.00 57.10 1v85 n GLN 31 Cb 0.01 -1.21 0.68 0.00 1.02 0.00 0.00 30.24 30.74 1v85 n GLN 31 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1v85 h LEU 32 N 0.00 0.00 0.00 1.08 3.38 -1.59 -3.46 115.31 114.71 1v85 h LEU 32 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1v85 h LEU 32 Cb 1.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.09 1v85 h LEU 32 CO 0.01 0.11 0.00 0.61 0.09 0.00 0.00 178.44 179.26 1v85 n GLY 33 N -0.99 0.93 0.24 0.83 0.00 -1.26 -5.01 105.19 99.93 1v85 n GLY 33 Ca -0.02 -0.79 0.12 0.00 0.00 0.00 0.00 46.02 45.33 1v85 n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v85 h PRO 34 N 0.00 0.00 0.00 1.61 0.13 -1.90 -2.66 132.00 129.19 1v85 h PRO 34 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1v85 h PRO 34 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1v85 h PRO 34 CO 0.00 0.16 0.00 0.11 -0.23 0.00 0.00 178.00 178.04 1v85 h TRP 35 N 0.00 0.00 -0.94 1.56 5.08 -1.94 -2.99 115.95 116.72 1v85 h TRP 35 Ca -0.00 0.00 0.08 0.00 1.08 0.00 0.00 58.89 60.05 1v85 h TRP 35 Cb 0.61 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.70 1v85 h TRP 35 CO 0.00 0.00 0.60 0.00 -1.28 0.00 0.00 178.44 177.76 1v85 h ALA 36 N 2.18 1.53 0.00 0.11 0.00 -1.72 0.12 119.26 121.49 1v85 h ALA 36 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1v85 h ALA 36 Cb 0.36 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1v85 h ALA 36 CO 0.00 0.30 0.00 0.45 0.00 0.00 0.00 179.25 180.00 1v85 n SER 37 N -4.52 0.44 0.01 0.00 2.88 -1.13 -0.37 113.62 110.93 1v85 n SER 37 Ca 0.15 0.69 0.13 0.00 -1.33 0.00 0.00 58.87 58.52 1v85 n SER 37 Cb 0.26 -0.76 0.40 0.00 -0.75 0.00 0.00 64.21 63.36 1v85 n SER 37 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1v85 n LEU 38 N -2.08 0.31 -0.01 2.46 4.77 0.43 -3.97 117.00 118.92 1v85 n LEU 38 Ca -0.01 0.24 -0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1v85 n LEU 38 Cb 0.05 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 40.77 1v85 n LEU 38 CO 0.09 0.05 -0.54 -1.22 -1.33 0.00 0.00 177.39 174.44 1v85 n TYR 39 N -1.56 0.00 -0.32 -1.77 4.02 0.50 -4.70 117.16 113.33 1v85 n TYR 39 Ca 0.06 0.00 0.24 0.00 -0.01 0.00 0.00 57.90 58.19 1v85 n TYR 39 Cb 0.35 -0.07 0.45 0.00 -0.02 0.00 0.00 39.34 40.05 1v85 n TYR 39 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 176.86 178.74 1v85 n ARG 40 N -1.86 -0.07 -0.29 -0.72 1.85 0.15 0.11 116.66 115.84 1v85 n ARG 40 Ca -0.02 1.40 0.11 0.00 -1.00 0.00 0.00 57.85 58.35 1v85 n ARG 40 Cb 0.35 -2.39 0.27 0.00 -1.05 0.00 0.00 32.46 29.64 1v85 n ARG 40 CO 0.00 0.00 0.00 -0.44 -0.01 0.00 0.00 177.63 177.18 1v85 h ASP 41 N 0.00 0.20 -0.26 2.89 3.32 -1.84 0.71 116.42 121.44 1v85 h ASP 41 Ca 0.73 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.93 1v85 h ASP 41 Cb 1.78 0.17 -0.01 0.00 0.22 0.00 0.00 39.33 41.49 1v85 h ASP 41 CO -0.83 -0.04 0.11 0.03 -1.72 0.00 0.00 179.24 176.80 1v85 h ARG 42 N 0.34 0.38 0.05 3.56 3.08 0.51 0.21 114.38 122.51 1v85 h ARG 42 Ca 0.52 -0.07 0.01 0.00 0.07 0.00 0.00 59.98 60.51 1v85 h ARG 42 Cb 0.98 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 1v85 h ARG 42 CO -0.55 0.41 -0.08 0.74 -1.07 0.00 0.00 179.97 179.43 1v85 h PHE 43 N 0.27 -0.19 0.56 3.04 -1.00 -0.86 0.34 116.94 119.10 1v85 h PHE 43 Ca 0.09 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.84 1v85 h PHE 43 Cb 0.16 0.08 0.01 0.00 3.61 0.00 0.00 35.95 39.81 1v85 h PHE 43 CO -0.01 -0.12 -0.27 -0.07 -1.61 0.00 0.00 178.31 176.23 1v85 h LEU 44 N -0.16 -0.64 -0.35 1.54 -0.00 -0.93 0.76 115.31 115.53 1v85 h LEU 44 Ca 0.01 -0.04 0.07 0.00 -0.00 0.00 0.00 57.88 57.92 1v85 h LEU 44 Cb 0.17 0.17 -0.07 0.00 -0.00 0.00 0.00 40.66 40.93 1v85 h LEU 44 CO -0.04 -0.34 -0.08 -1.28 -0.00 0.00 0.00 178.44 176.70 1v85 h SER 45 N -0.94 -0.32 -0.14 -0.43 0.87 -0.56 0.17 113.55 112.21 1v85 h SER 45 Ca -0.08 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1v85 h SER 45 Cb 0.64 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.81 1v85 h SER 45 CO 0.13 -0.11 0.00 -0.62 -0.53 0.00 0.00 176.83 175.69 1v85 n GLU 46 N -5.27 1.41 -4.45 2.24 -0.58 0.12 -4.90 120.64 109.21 1v85 n GLU 46 Ca 0.01 -0.62 -0.39 0.00 -0.42 0.00 0.00 57.16 55.74 1v85 n GLU 46 Cb 0.19 -1.23 -0.08 0.00 -0.57 0.00 0.00 31.44 29.75 1v85 n GLU 46 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 1v85 n ARG 47 N -0.07 -1.11 -1.84 3.49 5.12 0.21 -4.73 116.66 117.72 1v85 n ARG 47 Ca 0.10 0.16 -0.22 0.00 -1.93 0.00 0.00 57.85 55.97 1v85 n ARG 47 Cb 0.18 -4.50 -0.06 0.00 -1.16 0.00 0.00 32.46 26.91 1v85 n ARG 47 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1v85 s VAL 48 N -3.53 3.26 0.95 1.55 1.01 0.20 -4.86 120.40 118.99 1v85 s VAL 48 Ca 0.62 -0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.28 1v85 s VAL 48 Cb -0.36 -3.58 0.16 0.00 0.00 0.00 0.00 36.38 32.60 1v85 s VAL 48 CO 1.01 -0.55 1.11 0.54 0.00 0.00 0.00 175.10 177.21 1v85 s ASN 49 N 9.28 3.07 0.14 3.32 2.20 -1.26 -4.67 114.94 127.02 1v85 s ASN 49 Ca 0.80 1.11 -0.24 0.00 -0.94 0.00 0.00 52.86 53.59 1v85 s ASN 49 Cb -0.10 -1.74 -0.00 0.00 -2.00 0.00 0.00 41.25 37.41 1v85 s ASN 49 CO 0.04 -2.84 1.62 1.23 -2.94 0.00 0.00 177.10 174.21 1v85 h GLY 50 N -1.70 -0.30 -0.17 0.45 0.00 -1.72 0.15 103.07 99.78 1v85 h GLY 50 Ca -0.53 0.33 0.18 0.00 0.00 0.00 0.00 47.33 47.32 1v85 h GLY 50 CO 0.59 -0.21 0.21 -0.09 0.00 0.00 0.00 176.54 177.04 1v85 h ARG 51 N -0.32 0.26 -0.11 4.80 1.12 -1.70 0.30 114.38 118.73 1v85 h ARG 51 Ca 0.11 -0.02 -0.13 0.00 -1.11 0.00 0.00 59.98 58.83 1v85 h ARG 51 Cb 0.49 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.38 1v85 h ARG 51 CO -0.35 0.18 -0.50 1.25 -3.11 0.00 0.00 179.97 177.43 1v85 h LEU 52 N 0.27 0.32 -0.47 3.80 5.85 -1.67 -2.91 115.31 120.51 1v85 h LEU 52 Ca 0.46 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.98 1v85 h LEU 52 Cb 0.82 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.74 1v85 h LEU 52 CO -0.55 0.77 0.14 0.25 -0.34 0.00 0.00 178.44 178.72 1v85 h LEU 53 N 0.24 0.69 0.39 2.25 6.46 0.23 -2.53 115.31 123.04 1v85 h LEU 53 Ca 0.01 -0.21 -0.02 0.00 -0.12 0.00 0.00 57.88 57.54 1v85 h LEU 53 Cb 0.97 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.72 1v85 h LEU 53 CO 0.08 0.72 -0.19 -0.07 -0.62 0.00 0.00 178.44 178.37 1v85 h LEU 54 N 0.63 -0.44 -0.85 2.25 3.38 -0.96 -2.90 115.31 116.41 1v85 h LEU 54 Ca 0.15 -0.03 0.19 0.00 0.09 0.00 0.00 57.88 58.28 1v85 h LEU 54 Cb 0.28 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.03 1v85 h LEU 54 CO -0.00 -0.26 0.36 0.71 0.09 0.00 0.00 178.44 179.34 1v85 h THR 55 N -0.59 0.56 -2.95 0.22 1.35 -1.49 -3.42 112.91 106.60 1v85 h THR 55 Ca -0.05 -0.15 -0.58 0.00 -0.55 0.00 0.00 66.41 65.07 1v85 h THR 55 Cb 0.44 0.08 0.16 0.00 -1.73 0.00 0.00 68.15 67.10 1v85 h THR 55 CO 0.09 0.08 -0.21 0.18 -0.25 0.00 0.00 175.52 175.41 1v85 n LEU 56 N -5.01 1.42 -4.32 3.87 4.77 -0.96 -5.01 117.00 111.75 1v85 n LEU 56 Ca 0.19 0.84 -0.17 0.00 -0.03 0.00 0.00 56.01 56.84 1v85 n LEU 56 Cb 0.55 -1.23 -0.10 0.00 -2.33 0.00 0.00 43.42 40.31 1v85 n LEU 56 CO 0.15 -2.53 -0.34 0.42 -1.33 0.00 0.00 177.39 173.76 1v85 s THR 57 N -1.55 1.07 0.63 -5.08 -4.23 -1.26 -4.98 115.64 100.23 1v85 s THR 57 Ca 0.68 -2.04 0.20 0.00 -1.18 0.00 0.00 61.69 59.34 1v85 s THR 57 Cb -0.50 -2.29 0.27 0.00 1.34 0.00 0.00 72.50 71.33 1v85 s THR 57 CO 0.54 -0.37 1.35 -0.08 -0.54 0.00 0.00 174.62 175.53 1v85 h GLU 58 N 2.50 0.00 0.00 3.99 4.81 -1.97 0.12 114.58 124.04 1v85 h GLU 58 Ca -0.38 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1v85 h GLU 58 Cb 1.22 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.60 1v85 h GLU 58 CO 0.64 0.00 -0.12 1.49 -0.73 0.00 0.00 179.01 180.29 1v85 h GLU 59 N 0.00 0.00 -0.69 1.92 4.57 -1.98 -3.24 114.58 115.16 1v85 h GLU 59 Ca 0.27 0.00 0.20 0.00 -1.18 0.00 0.00 59.36 58.65 1v85 h GLU 59 Cb 2.23 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 30.79 1v85 h GLU 59 CO -0.00 0.07 0.50 0.93 -1.18 0.00 0.00 179.01 179.33 1v85 h GLU 60 N -1.00 0.00 -0.09 1.92 4.39 -1.22 0.30 114.58 118.87 1v85 h GLU 60 Ca -0.01 0.00 -0.11 0.00 0.34 0.00 0.00 59.36 59.59 1v85 h GLU 60 Cb 0.17 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.81 1v85 h GLU 60 CO -0.00 0.00 -0.43 0.74 -1.16 0.00 0.00 179.01 178.15 1v85 h PHE 61 N 0.00 0.26 -0.33 4.33 0.04 -1.22 -2.45 116.94 117.56 1v85 h PHE 61 Ca 0.33 -0.07 0.00 0.00 2.80 0.00 0.00 57.97 61.03 1v85 h PHE 61 Cb 1.33 -0.06 0.00 0.00 2.20 0.00 0.00 35.95 39.42 1v85 h PHE 61 CO 0.00 0.62 0.00 0.43 -0.60 0.00 0.00 178.31 178.76 1v85 n SER 62 N -4.01 1.90 -4.63 2.17 7.64 0.10 -2.02 113.62 114.78 1v85 n SER 62 Ca -0.02 -2.03 -0.29 0.00 1.01 0.00 0.00 58.87 57.54 1v85 n SER 62 Cb 0.49 -0.25 -0.09 0.00 -1.01 0.00 0.00 64.21 63.35 1v85 n SER 62 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 1v85 s ARG 63 N -1.57 2.30 0.74 1.43 1.81 -0.92 -4.26 118.95 118.48 1v85 s ARG 63 Ca 0.23 -1.00 -0.15 0.00 -1.72 0.00 0.00 55.73 53.09 1v85 s ARG 63 Cb 0.12 -2.38 0.05 0.00 -0.45 0.00 0.00 34.95 32.29 1v85 s ARG 63 CO 0.15 0.50 1.21 0.00 -0.68 0.00 0.00 175.30 176.48 1v85 s ALA 64 N -1.38 2.06 0.32 2.13 0.00 -1.26 0.31 121.76 123.94 1v85 s ALA 64 Ca 0.24 0.89 0.11 0.00 0.00 0.00 0.00 51.96 53.20 1v85 s ALA 64 Cb -0.11 -3.48 0.52 0.00 0.00 0.00 0.00 23.12 20.05 1v85 s ALA 64 CO 0.16 -1.97 1.71 -1.00 0.00 0.00 0.00 175.76 174.67 1v85 h PRO 65 N -0.40 0.05 -1.00 0.00 0.13 -1.97 -3.42 132.00 125.38 1v85 h PRO 65 Ca -0.47 -0.02 0.29 0.00 -0.87 0.00 0.00 66.00 64.93 1v85 h PRO 65 Cb 1.30 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 32.24 1v85 h PRO 65 CO 0.49 0.52 0.09 1.88 -0.23 0.00 0.00 178.00 180.75 1v85 h TYR 66 N 0.04 0.06 -4.79 1.56 0.05 -1.73 -3.42 116.97 108.72 1v85 h TYR 66 Ca -0.00 0.07 -0.21 0.00 0.05 0.00 0.00 58.73 58.63 1v85 h TYR 66 Cb 0.87 0.14 -0.13 0.00 1.01 0.00 0.00 36.73 38.62 1v85 h TYR 66 CO 0.00 -0.45 -0.31 -2.37 -1.05 0.00 0.00 178.16 173.99 1v85 n THR 67 N -5.47 0.00 -1.52 -2.88 5.66 0.15 -4.56 114.28 105.66 1v85 n THR 67 Ca 0.25 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 61.02 1v85 n THR 67 Cb 0.84 -0.17 -0.16 0.00 -1.55 0.00 0.00 70.33 69.29 1v85 n THR 67 CO 0.00 0.00 0.00 -0.38 -3.05 0.00 0.00 175.07 171.64 1v85 n ILE 68 N -2.31 -0.01 0.39 1.09 5.41 -0.86 -4.70 119.36 118.37 1v85 n ILE 68 Ca 0.04 -0.44 -0.04 0.00 1.00 0.00 0.00 62.75 63.31 1v85 n ILE 68 Cb 0.32 -0.79 0.08 0.00 -0.71 0.00 0.00 39.64 38.55 1v85 n ILE 68 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1v85 n GLU 69 N 7.06 1.65 -3.56 0.38 1.02 -1.26 -4.54 120.64 121.38 1v85 n GLU 69 Ca 0.60 -0.89 -0.27 0.00 -0.02 0.00 0.00 57.16 56.59 1v85 n GLU 69 Cb 0.23 -1.48 -0.16 0.00 -0.02 0.00 0.00 31.44 30.01 1v85 n GLU 69 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1v85 s ASN 70 N 0.13 2.81 0.16 1.62 2.47 -1.26 -5.03 114.94 115.84 1v85 s ASN 70 Ca 0.16 -0.91 -0.22 0.00 0.42 0.00 0.00 52.86 52.32 1v85 s ASN 70 Cb 0.13 -0.23 0.05 0.00 -1.45 0.00 0.00 41.25 39.75 1v85 s ASN 70 CO 0.04 -0.39 1.62 0.28 -3.72 0.00 0.00 177.10 174.93 1v85 h SER 71 N 8.40 -0.85 -0.73 -4.21 0.02 -2.01 -1.91 113.55 112.27 1v85 h SER 71 Ca -0.17 0.16 0.13 0.00 -0.84 0.00 0.00 61.79 61.07 1v85 h SER 71 Cb 1.08 0.41 -0.13 0.00 0.14 0.00 0.00 62.40 63.90 1v85 h SER 71 CO 0.36 -0.29 -0.22 -1.20 -1.14 0.00 0.00 176.83 174.34 1v85 n SER 72 N -5.39 -0.35 -0.05 3.07 7.64 -1.26 0.11 113.62 117.39 1v85 n SER 72 Ca 0.00 1.26 -0.08 0.00 1.01 0.00 0.00 58.87 61.06 1v85 n SER 72 Cb 0.31 -0.34 -0.02 0.00 -1.01 0.00 0.00 64.21 63.15 1v85 n SER 72 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1v85 h HIS 73 N 0.00 -0.66 0.12 1.43 6.17 -1.77 -0.59 115.15 119.86 1v85 h HIS 73 Ca 0.31 0.04 -0.01 0.00 0.71 0.00 0.00 60.37 61.42 1v85 h HIS 73 Cb 0.49 0.33 0.00 0.00 2.52 0.00 0.00 27.41 30.75 1v85 h HIS 73 CO -0.59 -0.32 -0.06 0.00 0.71 0.00 0.00 177.93 177.67 1v85 h ARG 74 N -0.25 -0.16 -1.00 5.26 3.08 0.70 -1.27 114.38 120.74 1v85 h ARG 74 Ca 0.14 0.01 0.23 0.00 0.07 0.00 0.00 59.98 60.43 1v85 h ARG 74 Cb 0.46 0.04 -0.12 0.00 0.08 0.00 0.00 29.97 30.43 1v85 h ARG 74 CO -0.39 -0.08 0.59 -0.09 -1.07 0.00 0.00 179.97 178.93 1v85 h ARG 75 N -0.18 0.61 0.07 0.04 1.12 -0.44 0.12 114.38 115.71 1v85 h ARG 75 Ca -0.02 -0.04 -0.00 0.00 -1.11 0.00 0.00 59.98 58.81 1v85 h ARG 75 Cb 0.14 -0.14 0.00 0.00 -0.01 0.00 0.00 29.97 29.97 1v85 h ARG 75 CO 0.03 0.40 -0.03 0.28 -3.11 0.00 0.00 179.97 177.53 1v85 h VAL 76 N 0.63 0.00 -0.65 0.20 2.07 -0.71 -2.03 116.25 115.76 1v85 h VAL 76 Ca 0.63 -0.09 0.07 0.00 0.82 0.00 0.00 66.70 68.13 1v85 h VAL 76 Cb 1.13 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.80 1v85 h VAL 76 CO -0.45 0.00 -0.55 0.40 0.02 0.00 0.00 177.57 176.98 1v85 h ILE 77 N -0.18 0.01 0.01 4.57 2.04 -1.03 0.14 117.51 123.07 1v85 h ILE 77 Ca -0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.85 1v85 h ILE 77 Cb 0.07 0.01 -0.00 0.00 -0.74 0.00 0.00 36.82 36.16 1v85 h ILE 77 CO 0.02 0.00 -0.02 -0.07 0.00 0.00 0.00 178.15 178.07 1v85 h LEU 78 N -0.23 -0.07 -0.92 1.44 4.07 -0.92 0.58 115.31 119.26 1v85 h LEU 78 Ca 0.12 0.01 0.15 0.00 0.08 0.00 0.00 57.88 58.24 1v85 h LEU 78 Cb 0.53 0.02 -0.16 0.00 1.08 0.00 0.00 40.66 42.14 1v85 h LEU 78 CO -0.74 -0.03 -0.32 0.41 -1.08 0.00 0.00 178.44 176.69 1v85 n THR 79 N -2.50 -0.45 -0.11 0.22 -1.04 -0.76 0.16 114.28 109.80 1v85 n THR 79 Ca -0.00 2.14 -0.03 0.00 -2.04 0.00 0.00 64.05 64.12 1v85 n THR 79 Cb 0.02 -2.86 0.20 0.00 -1.82 0.00 0.00 70.33 65.87 1v85 n THR 79 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 1v85 h GLU 80 N 0.00 0.78 -0.37 -2.82 4.39 -0.46 -2.87 114.58 113.23 1v85 h GLU 80 Ca 0.36 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 1v85 h GLU 80 Cb 0.59 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 1v85 h GLU 80 CO -0.92 0.73 0.20 1.25 -1.16 0.00 0.00 179.01 179.10 1v85 h LEU 81 N 0.75 0.47 -1.40 1.33 5.85 0.72 -2.06 115.31 120.96 1v85 h LEU 81 Ca 0.16 -0.09 0.16 0.00 0.84 0.00 0.00 57.88 58.94 1v85 h LEU 81 Cb 0.32 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.17 1v85 h LEU 81 CO 0.00 0.43 0.56 -0.08 -0.34 0.00 0.00 178.44 179.01 1v85 h GLU 82 N 0.47 0.55 0.21 1.25 4.57 -0.60 -0.67 114.58 120.36 1v85 h GLU 82 Ca 0.13 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.27 1v85 h GLU 82 Cb 0.07 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 1v85 h GLU 82 CO -0.02 0.36 -0.10 0.00 -1.18 0.00 0.00 179.01 178.07 1v85 h ARG 83 N 0.56 -0.27 -0.88 1.92 3.08 -1.37 -1.68 114.38 115.74 1v85 h ARG 83 Ca 0.43 0.02 0.23 0.00 0.07 0.00 0.00 59.98 60.73 1v85 h ARG 83 Cb 0.85 0.06 -0.15 0.00 0.08 0.00 0.00 29.97 30.81 1v85 h ARG 83 CO -0.18 -0.18 0.08 -0.39 -1.07 0.00 0.00 179.97 178.22 1v85 h VAL 84 N -0.56 0.22 -0.33 2.04 -1.51 -1.21 0.70 116.25 115.60 1v85 h VAL 84 Ca -0.03 -0.03 -0.08 0.00 -1.23 0.00 0.00 66.70 65.32 1v85 h VAL 84 Cb 0.22 0.11 -0.02 0.00 -2.13 0.00 0.00 31.29 29.47 1v85 h VAL 84 CO 0.05 0.02 -0.14 0.08 -1.23 0.00 0.00 177.57 176.34 1v85 h ARG 85 N 0.10 0.58 -6.87 5.19 0.11 -1.21 -3.44 114.38 108.84 1v85 h ARG 85 Ca 0.52 -0.19 -0.52 0.00 0.10 0.00 0.00 59.98 59.89 1v85 h ARG 85 Cb 1.02 -0.05 0.07 0.00 1.11 0.00 0.00 29.97 32.11 1v85 h ARG 85 CO -0.76 0.71 0.65 0.45 0.10 0.00 0.00 179.97 181.13 1v85 s SER 86 N -6.75 6.75 0.17 0.08 0.15 0.25 -4.91 113.70 109.43 1v85 s SER 86 Ca -0.08 2.69 -0.33 0.00 0.70 0.00 0.00 55.95 58.93 1v85 s SER 86 Cb 0.14 -2.65 -0.15 0.00 -1.71 0.00 0.00 66.02 61.65 1v85 s SER 86 CO 0.79 -0.56 1.25 0.61 1.20 0.00 0.00 173.24 176.54 1v85 n GLY 87 N 0.93 0.29 3.77 9.45 0.00 -1.26 -4.92 105.19 113.46 1v85 n GLY 87 Ca 0.01 0.56 -0.34 0.00 0.00 0.00 0.00 46.02 46.24 1v85 n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1v85 s PRO 88 N -0.20 3.12 0.32 1.61 0.04 -1.26 -5.07 135.00 133.56 1v85 s PRO 88 Ca 0.74 1.52 0.10 0.00 0.04 0.00 0.00 61.00 63.40 1v85 s PRO 88 Cb -0.82 -1.98 -0.06 0.00 0.04 0.00 0.00 34.50 31.68 1v85 s PRO 88 CO 0.50 -1.02 -0.09 0.45 0.04 0.00 0.00 177.00 176.88 1v85 s SER 89 N -2.11 3.85 -0.10 6.66 0.15 -1.26 -5.09 113.70 115.80 1v85 s SER 89 Ca 0.70 -1.07 -0.05 0.00 0.70 0.00 0.00 55.95 56.24 1v85 s SER 89 Cb -0.22 -0.41 -0.02 0.00 -1.71 0.00 0.00 66.02 63.66 1v85 s SER 89 CO 0.33 -0.13 -0.09 -1.28 1.20 0.00 0.00 173.24 173.27 1v85 h SER 90 N 2.03 0.00 0.00 5.45 0.87 -2.06 -3.53 113.55 116.31 1v85 h SER 90 Ca -0.42 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1v85 h SER 90 Cb 1.25 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1v85 h SER 90 CO 0.66 0.50 0.00 0.61 -0.53 0.00 0.00 176.83 178.07