#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v85 s SER 2 N 0.00 6.01 -0.04 1.61 0.15 -1.26 -4.97 113.70 115.20 1v85 s SER 2 Ca 0.00 1.08 -0.01 0.00 0.70 0.00 0.00 55.95 57.72 1v85 s SER 2 Cb 0.00 -2.53 0.03 0.00 -1.71 0.00 0.00 66.02 61.81 1v85 s SER 2 CO 0.00 -1.66 0.08 -0.55 1.20 0.00 0.00 173.24 172.31 1v85 s SER 3 N 5.47 0.00 0.00 5.45 0.15 -1.26 -5.06 113.70 118.45 1v85 s SER 3 Ca 0.73 0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.52 1v85 s SER 3 Cb -0.19 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.15 1v85 s SER 3 CO 0.32 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1v85 n GLY 4 N 4.21 -0.42 3.09 9.45 0.00 -1.26 -5.12 105.19 115.13 1v85 n GLY 4 Ca -0.27 0.31 -0.35 0.00 0.00 0.00 0.00 46.02 45.71 1v85 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1v85 s SER 5 N 0.00 5.12 -0.06 1.61 0.15 -1.26 -5.05 113.70 114.20 1v85 s SER 5 Ca 0.00 -2.21 -0.29 0.00 0.70 0.00 0.00 55.95 54.14 1v85 s SER 5 Cb 0.00 -1.79 0.10 0.00 -1.71 0.00 0.00 66.02 62.62 1v85 s SER 5 CO 0.00 -0.47 0.82 -0.55 1.20 0.00 0.00 173.24 174.23 1v85 s SER 6 N 1.40 -0.50 -0.30 5.45 0.15 -1.26 -5.15 113.70 113.49 1v85 s SER 6 Ca 0.10 0.41 -0.10 0.00 0.70 0.00 0.00 55.95 57.07 1v85 s SER 6 Cb -0.22 0.44 0.19 0.00 -1.71 0.00 0.00 66.02 64.71 1v85 s SER 6 CO -0.05 -0.56 1.01 -0.83 1.20 0.00 0.00 173.24 174.01 1v85 s GLY 7 N -1.54 -0.97 -0.06 9.45 0.00 -1.26 -5.00 107.32 107.94 1v85 s GLY 7 Ca -0.04 2.00 -0.02 0.00 0.00 0.00 0.00 44.72 46.66 1v85 s GLY 7 CO 0.01 4.07 0.12 -0.54 0.00 0.00 0.00 173.10 176.77 1v85 s GLU 8 N 2.93 0.04 -0.44 2.90 0.41 -1.26 -5.09 118.70 118.19 1v85 s GLU 8 Ca 0.26 0.39 -0.29 0.00 -0.41 0.00 0.00 54.97 54.92 1v85 s GLU 8 Cb -0.02 -0.25 -0.09 0.00 -1.78 0.00 0.00 34.13 31.99 1v85 s GLU 8 CO -0.23 -0.22 2.35 -2.39 -0.49 0.00 0.00 175.26 174.28 1v85 n HIS 9 N 4.59 1.52 0.00 1.61 1.44 -1.26 -3.78 115.22 119.34 1v85 n HIS 9 Ca -0.19 0.11 0.00 0.00 -2.01 0.00 0.00 57.72 55.63 1v85 n HIS 9 Cb 0.51 -2.62 0.00 0.00 0.12 0.00 0.00 29.99 28.00 1v85 n HIS 9 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1v85 n GLY 10 N 6.10 -1.42 0.50 -1.39 0.00 -1.26 -4.95 105.19 102.77 1v85 n GLY 10 Ca 0.39 0.46 0.39 0.00 0.00 0.00 0.00 46.02 47.26 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 0.06 -0.24 0.99 -0.00 -1.25 -1.31 117.00 115.25 1v85 n LEU 11 Ca 0.00 0.90 -0.06 0.00 -0.00 0.00 0.00 56.01 56.85 1v85 n LEU 11 Cb 0.00 -0.45 -0.06 0.00 -0.00 0.00 0.00 43.42 42.92 1v85 n LEU 11 CO 0.00 -0.94 0.33 0.18 -0.00 0.00 0.00 177.39 176.96 1v85 n LEU 12 N -3.80 -0.60 -0.27 1.47 7.99 -1.26 0.13 117.00 120.65 1v85 n LEU 12 Ca 0.34 1.12 -0.07 0.00 -0.01 0.00 0.00 56.01 57.39 1v85 n LEU 12 Cb 1.47 -0.18 0.06 0.00 -0.11 0.00 0.00 43.42 44.65 1v85 n LEU 12 CO 0.28 -0.88 0.99 -0.37 -1.51 0.00 0.00 177.39 175.90 1v85 h VAL 13 N 0.00 1.26 0.08 4.08 -1.51 -1.53 -3.29 116.25 115.35 1v85 h VAL 13 Ca 0.09 -0.91 -0.00 0.00 -1.23 0.00 0.00 66.70 64.65 1v85 h VAL 13 Cb 0.23 0.43 0.00 0.00 -2.13 0.00 0.00 31.29 29.82 1v85 h VAL 13 CO -0.53 0.36 -0.04 0.45 -1.23 0.00 0.00 177.57 176.58 1v85 h HIS 14 N 1.12 -0.10 -3.52 5.19 3.86 0.97 -3.43 115.15 119.23 1v85 h HIS 14 Ca 0.24 -0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.92 1v85 h HIS 14 Cb 0.30 0.03 0.07 0.00 1.06 0.00 0.00 27.41 28.88 1v85 h HIS 14 CO 0.03 -0.06 0.78 0.21 0.86 0.00 0.00 177.93 179.74 1v85 s LYS 15 N -3.17 4.22 0.25 2.45 2.20 0.24 -4.92 119.74 121.01 1v85 s LYS 15 Ca -0.02 2.41 -0.31 0.00 -0.36 0.00 0.00 55.97 57.69 1v85 s LYS 15 Cb 0.00 -3.06 -0.13 0.00 -1.51 0.00 0.00 37.83 33.14 1v85 s LYS 15 CO 0.05 -0.46 1.50 0.00 -0.36 0.00 0.00 175.35 176.07 1v85 n ALA 16 N 1.78 1.71 0.23 3.13 0.00 -1.26 -4.76 120.51 121.35 1v85 n ALA 16 Ca 0.05 0.40 0.06 0.00 0.00 0.00 0.00 53.44 53.95 1v85 n ALA 16 Cb 0.39 -2.36 0.54 0.00 0.00 0.00 0.00 19.45 18.02 1v85 n ALA 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1v85 h VAL 17 N 3.22 1.09 0.00 0.00 2.07 -1.88 -0.96 116.25 119.79 1v85 h VAL 17 Ca -0.46 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 66.56 1v85 h VAL 17 Cb 1.25 1.27 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 1v85 h VAL 17 CO 0.78 0.14 0.00 -0.90 0.02 0.00 0.00 177.57 177.62 1v85 n ASP 18 N -4.34 0.00 -0.25 0.57 5.75 -1.26 -1.48 116.55 115.53 1v85 n ASP 18 Ca -0.03 -0.36 0.04 0.00 -0.01 0.00 0.00 54.79 54.43 1v85 n ASP 18 Cb 0.22 -0.06 0.02 0.00 -1.03 0.00 0.00 41.12 40.27 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 -1.06 1.04 -0.91 0.11 4.01 -0.37 -3.43 118.16 117.56 1v85 n LYS 19 Ca 0.10 -0.77 -0.30 0.00 -0.51 0.00 0.00 58.31 56.83 1v85 n LYS 19 Cb 0.06 -1.08 0.16 0.00 -0.51 0.00 0.00 35.03 33.65 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 -0.86 1.94 0.23 2.13 0.52 -0.55 -4.92 118.94 117.43 1v85 s TRP 20 Ca 0.08 1.54 0.11 0.00 0.02 0.00 0.00 56.10 57.85 1v85 s TRP 20 Cb 0.06 -3.20 -0.05 0.00 -1.15 0.00 0.00 33.47 29.14 1v85 s TRP 20 CO 0.14 -2.65 -0.15 0.95 0.02 0.00 0.00 176.95 175.25 1v85 s THR 21 N -2.74 2.78 0.52 2.01 -4.23 -1.26 -2.80 115.64 109.92 1v85 s THR 21 Ca 0.65 -2.04 0.34 0.00 -1.18 0.00 0.00 61.69 59.47 1v85 s THR 21 Cb -0.21 -2.41 0.51 0.00 1.34 0.00 0.00 72.50 71.73 1v85 s THR 21 CO 0.58 -0.25 1.27 0.41 -0.54 0.00 0.00 174.62 176.10 1v85 n THR 22 N -0.26 0.00 -0.03 3.99 -1.04 -1.26 0.58 114.28 116.26 1v85 n THR 22 Ca -0.09 1.22 -0.06 0.00 -2.04 0.00 0.00 64.05 63.08 1v85 n THR 22 Cb 0.58 -2.11 -0.05 0.00 -1.82 0.00 0.00 70.33 66.92 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 -0.06 -0.66 -2.82 4.81 -1.93 -3.25 114.58 110.67 1v85 h GLU 23 Ca 0.64 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.88 1v85 h GLU 23 Cb 3.00 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 32.36 1v85 h GLU 23 CO -0.01 0.32 0.42 0.93 -0.73 0.00 0.00 179.01 179.94 1v85 h GLU 24 N -0.99 0.89 -0.59 1.92 5.08 -0.24 -1.40 114.58 119.24 1v85 h GLU 24 Ca -0.01 -0.07 0.12 0.00 -1.00 0.00 0.00 59.36 58.41 1v85 h GLU 24 Cb 0.40 -0.19 -0.11 0.00 0.50 0.00 0.00 28.75 29.35 1v85 h GLU 24 CO 0.01 0.61 -0.15 0.28 -1.00 0.00 0.00 179.01 178.76 1v85 h VAL 25 N 0.90 0.41 -0.15 3.13 2.07 -0.79 0.15 116.25 121.98 1v85 h VAL 25 Ca 0.24 -0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.61 1v85 h VAL 25 Cb -0.07 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 1v85 h VAL 25 CO -0.05 0.00 -0.55 0.58 0.02 0.00 0.00 177.57 177.57 1v85 h VAL 26 N 0.00 1.34 0.13 2.57 2.07 -1.53 -3.07 116.25 117.76 1v85 h VAL 26 Ca 0.28 -1.83 -0.01 0.00 0.82 0.00 0.00 66.70 65.97 1v85 h VAL 26 Cb 0.43 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 32.03 1v85 h VAL 26 CO -0.61 0.56 -0.07 -0.07 0.02 0.00 0.00 177.57 177.40 1v85 h LEU 27 N 0.34 -0.16 -0.99 2.57 3.38 0.14 0.11 115.31 120.70 1v85 h LEU 27 Ca 0.00 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.07 1v85 h LEU 27 Cb 1.07 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.79 1v85 h LEU 27 CO 0.10 -0.11 0.63 -0.25 0.09 0.00 0.00 178.44 178.90 1v85 h TRP 28 N -0.18 1.15 0.00 1.13 7.01 -0.82 -0.26 115.95 123.98 1v85 h TRP 28 Ca -0.02 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.92 1v85 h TRP 28 Cb 0.14 -0.37 -0.01 0.00 -2.10 0.00 0.00 29.16 26.82 1v85 h TRP 28 CO -0.07 0.54 -0.44 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 -1.37 -2.75 115.31 118.76 1v85 h LEU 29 Ca 0.45 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.17 1v85 h LEU 29 Cb 0.30 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1v85 h LEU 29 CO -0.21 0.44 0.00 -0.62 -0.34 0.00 0.00 178.44 177.71 1v85 n GLU 30 N -3.55 0.81 -0.03 1.25 1.02 0.36 -2.68 120.64 117.81 1v85 n GLU 30 Ca -0.00 0.00 -0.00 0.00 -0.02 0.00 0.00 57.16 57.13 1v85 n GLU 30 Cb 0.55 -1.21 -0.09 0.00 -0.02 0.00 0.00 31.44 30.68 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 -0.71 1.36 0.20 3.49 6.02 -1.04 -4.49 117.38 122.21 1v85 n GLN 31 Ca 0.08 -0.05 0.04 0.00 -0.01 0.00 0.00 57.00 57.06 1v85 n GLN 31 Cb 0.04 -1.29 0.40 0.00 1.02 0.00 0.00 30.24 30.40 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 -1.58 -3.47 115.31 114.72 1v85 h LEU 32 Ca -0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1v85 h LEU 32 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1v85 h LEU 32 CO 0.01 0.34 0.00 0.61 0.09 0.00 0.00 178.44 179.49 1v85 n GLY 33 N -0.38 0.75 0.25 0.83 0.00 -1.25 -5.01 105.19 100.38 1v85 n GLY 33 Ca -0.02 -0.75 0.14 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.91 -2.64 132.00 129.19 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 0.12 0.00 0.11 -0.23 0.00 0.00 178.00 178.00 1v85 h TRP 35 N 0.00 0.00 -0.87 1.56 5.08 -1.94 -3.02 115.95 116.75 1v85 h TRP 35 Ca -0.00 0.00 0.13 0.00 1.08 0.00 0.00 58.89 60.10 1v85 h TRP 35 Cb 0.58 0.00 -0.07 0.00 -3.00 0.00 0.00 29.16 26.68 1v85 h TRP 35 CO 0.00 0.00 0.56 0.00 -1.28 0.00 0.00 178.44 177.72 1v85 h ALA 36 N 2.21 1.79 0.00 0.11 0.00 -1.72 0.33 119.26 121.98 1v85 h ALA 36 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1v85 h ALA 36 Cb 0.37 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1v85 h ALA 36 CO 0.00 -0.01 0.00 0.45 0.00 0.00 0.00 179.25 179.69 1v85 n SER 37 N -4.55 0.32 0.09 0.00 2.88 -1.14 -0.02 113.62 111.20 1v85 n SER 37 Ca 0.16 0.61 0.12 0.00 -1.33 0.00 0.00 58.87 58.44 1v85 n SER 37 Cb 0.42 -0.66 0.24 0.00 -0.75 0.00 0.00 64.21 63.45 1v85 n SER 37 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1v85 h LEU 38 N 0.00 0.00 0.00 2.46 3.38 -0.55 -3.36 115.31 117.24 1v85 h LEU 38 Ca 0.00 -0.11 -0.07 0.00 0.09 0.00 0.00 57.88 57.79 1v85 h LEU 38 Cb 0.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 1v85 h LEU 38 CO 0.00 0.06 -1.25 -1.22 0.09 0.00 0.00 178.44 176.12 1v85 n TYR 39 N -2.27 0.00 -0.43 1.13 4.02 -0.27 -4.66 117.16 114.68 1v85 n TYR 39 Ca 0.04 0.00 0.38 0.00 -0.01 0.00 0.00 57.90 58.31 1v85 n TYR 39 Cb 0.45 -0.18 0.65 0.00 -0.02 0.00 0.00 39.34 40.24 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 -2.13 -0.04 -0.24 -0.72 1.85 0.97 0.11 116.66 116.46 1v85 n ARG 40 Ca -0.06 1.27 0.04 0.00 -1.00 0.00 0.00 57.85 58.10 1v85 n ARG 40 Cb 0.61 -2.44 0.17 0.00 -1.05 0.00 0.00 32.46 29.74 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 0.19 0.38 2.89 5.19 -1.83 0.17 116.42 123.41 1v85 h ASP 41 Ca 0.86 0.11 -0.09 0.00 -0.62 0.00 0.00 57.03 57.29 1v85 h ASP 41 Cb 2.68 0.11 -0.01 0.00 0.18 0.00 0.00 39.33 42.28 1v85 h ASP 41 CO -0.53 0.07 -0.42 0.03 -3.12 0.00 0.00 179.24 175.27 1v85 h ARG 42 N 0.39 0.06 0.04 3.56 3.08 0.48 -1.39 114.38 120.59 1v85 h ARG 42 Ca 0.39 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.41 1v85 h ARG 42 Cb 0.59 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1v85 h ARG 42 CO -0.41 0.47 -0.02 0.74 -1.07 0.00 0.00 179.97 179.69 1v85 h PHE 43 N 0.05 -0.05 0.33 3.04 -1.00 -0.60 -1.61 116.94 117.11 1v85 h PHE 43 Ca 0.00 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.76 1v85 h PHE 43 Cb 0.77 0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.35 1v85 h PHE 43 CO 0.00 0.37 -0.16 -0.07 -1.61 0.00 0.00 178.31 176.84 1v85 h LEU 44 N -0.48 -0.38 -0.78 1.54 -0.00 -0.99 0.35 115.31 114.57 1v85 h LEU 44 Ca -0.01 -0.13 0.14 0.00 -0.00 0.00 0.00 57.88 57.88 1v85 h LEU 44 Cb 0.44 0.10 -0.09 0.00 -0.00 0.00 0.00 40.66 41.10 1v85 h LEU 44 CO 0.01 -0.07 0.36 -1.28 -0.00 0.00 0.00 178.44 177.46 1v85 h SER 45 N -0.70 0.40 -0.12 -0.43 0.87 -1.35 0.51 113.55 112.72 1v85 h SER 45 Ca -0.05 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.61 1v85 h SER 45 Cb 0.48 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1v85 h SER 45 CO 0.07 0.17 0.00 -0.62 -0.53 0.00 0.00 176.83 175.93 1v85 n GLU 46 N -4.93 1.47 -4.14 2.24 -0.58 -0.61 -4.90 120.64 109.19 1v85 n GLU 46 Ca 0.15 -0.71 -0.35 0.00 -0.42 0.00 0.00 57.16 55.82 1v85 n GLU 46 Cb 0.40 -1.33 -0.03 0.00 -0.57 0.00 0.00 31.44 29.90 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 -0.05 -2.65 -1.72 3.49 5.12 0.18 -4.77 116.66 116.26 1v85 n ARG 47 Ca 0.14 0.32 -0.35 0.00 -1.93 0.00 0.00 57.85 56.03 1v85 n ARG 47 Cb 0.23 -5.01 -0.03 0.00 -1.16 0.00 0.00 32.46 26.48 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 -3.19 3.13 0.49 1.55 1.01 0.99 -4.82 120.40 119.56 1v85 s VAL 48 Ca 0.71 0.05 -0.04 0.00 0.00 0.00 0.00 61.98 62.70 1v85 s VAL 48 Cb -0.39 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 1v85 s VAL 48 CO 0.87 -0.32 0.77 0.54 0.00 0.00 0.00 175.10 176.97 1v85 s ASN 49 N 10.77 6.01 0.13 3.32 4.22 -1.26 -4.47 114.94 133.66 1v85 s ASN 49 Ca 0.87 0.72 -0.27 0.00 -2.14 0.00 0.00 52.86 52.04 1v85 s ASN 49 Cb -0.15 -1.96 -0.06 0.00 1.28 0.00 0.00 41.25 40.35 1v85 s ASN 49 CO 0.23 -0.70 1.46 1.23 -2.04 0.00 0.00 177.10 177.28 1v85 h GLY 50 N 0.20 -1.13 -0.65 0.45 0.00 -1.69 0.43 103.07 100.68 1v85 h GLY 50 Ca -0.47 0.84 0.29 0.00 0.00 0.00 0.00 47.33 48.00 1v85 h GLY 50 CO 0.61 -0.12 0.31 -0.09 0.00 0.00 0.00 176.54 177.24 1v85 h ARG 51 N -0.04 0.15 -0.32 4.80 1.12 -1.64 0.58 114.38 119.03 1v85 h ARG 51 Ca 0.13 -0.01 -0.18 0.00 -1.11 0.00 0.00 59.98 58.81 1v85 h ARG 51 Cb 0.37 -0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 30.29 1v85 h ARG 51 CO -0.77 0.10 -0.49 1.25 -3.11 0.00 0.00 179.97 176.95 1v85 h LEU 52 N 0.16 0.98 0.22 3.80 5.85 -0.67 -3.11 115.31 122.53 1v85 h LEU 52 Ca 0.65 -0.50 0.01 0.00 0.84 0.00 0.00 57.88 58.88 1v85 h LEU 52 Cb 1.43 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.15 1v85 h LEU 52 CO -0.72 1.30 -0.29 0.25 -0.34 0.00 0.00 178.44 178.64 1v85 h LEU 53 N 0.70 -0.80 -0.27 2.25 5.85 0.33 -1.48 115.31 121.89 1v85 h LEU 53 Ca 0.03 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.89 1v85 h LEU 53 Cb 1.10 0.29 -0.08 0.00 0.37 0.00 0.00 40.66 42.34 1v85 h LEU 53 CO 0.11 -0.40 -0.36 -0.07 -0.34 0.00 0.00 178.44 177.38 1v85 h LEU 54 N -0.57 -1.16 -0.68 2.25 3.38 -1.26 -1.22 115.31 116.06 1v85 h LEU 54 Ca 0.01 0.18 0.13 0.00 0.09 0.00 0.00 57.88 58.29 1v85 h LEU 54 Cb 0.55 0.51 -0.09 0.00 0.09 0.00 0.00 40.66 41.71 1v85 h LEU 54 CO -0.11 -0.36 0.19 0.71 0.09 0.00 0.00 178.44 178.96 1v85 h THR 55 N -0.36 0.61 -2.16 0.22 1.35 -1.44 -3.41 112.91 107.73 1v85 h THR 55 Ca 0.12 -0.11 -0.62 0.00 -0.55 0.00 0.00 66.41 65.26 1v85 h THR 55 Cb 0.57 0.27 0.06 0.00 -1.73 0.00 0.00 68.15 67.32 1v85 h THR 55 CO -0.46 0.06 0.62 0.18 -0.25 0.00 0.00 175.52 175.66 1v85 n LEU 56 N -5.10 2.55 -4.71 3.87 4.77 -0.46 -4.99 117.00 112.93 1v85 n LEU 56 Ca 0.12 1.11 -0.27 0.00 -0.03 0.00 0.00 56.01 56.93 1v85 n LEU 56 Cb 0.38 -1.34 -0.08 0.00 -2.33 0.00 0.00 43.42 40.05 1v85 n LEU 56 CO 0.16 -0.63 -0.20 0.42 -1.33 0.00 0.00 177.39 175.81 1v85 s THR 57 N 0.51 1.97 0.34 -5.08 -4.23 -1.26 -4.95 115.64 102.95 1v85 s THR 57 Ca 0.78 -1.84 0.13 0.00 -1.18 0.00 0.00 61.69 59.58 1v85 s THR 57 Cb -0.76 -2.81 0.38 0.00 1.34 0.00 0.00 72.50 70.64 1v85 s THR 57 CO 0.44 0.00 1.58 -0.08 -0.54 0.00 0.00 174.62 176.02 1v85 h GLU 58 N 1.49 0.01 0.00 3.99 4.81 -1.96 -1.13 114.58 121.79 1v85 h GLU 58 Ca -0.43 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.80 1v85 h GLU 58 Cb 1.26 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.64 1v85 h GLU 58 CO 0.74 0.01 0.00 0.39 -0.73 0.00 0.00 179.01 179.42 1v85 n GLU 59 N -5.35 0.00 -0.25 1.92 4.71 -1.26 -2.63 120.64 117.78 1v85 n GLU 59 Ca 0.32 0.45 0.16 0.00 -0.01 0.00 0.00 57.16 58.07 1v85 n GLU 59 Cb 1.06 -1.32 0.30 0.00 -1.01 0.00 0.00 31.44 30.47 1v85 n GLU 59 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 1v85 n GLU 60 N -1.84 -0.05 -0.19 3.49 -0.58 -0.72 0.24 120.64 120.98 1v85 n GLU 60 Ca 0.00 1.09 -0.04 0.00 -0.42 0.00 0.00 57.16 57.79 1v85 n GLU 60 Cb 0.00 -1.81 0.06 0.00 -0.57 0.00 0.00 31.44 29.12 1v85 n GLU 60 CO 0.00 0.00 0.00 0.74 -0.48 0.00 0.00 177.13 177.39 1v85 h PHE 61 N 0.00 0.58 0.00 -0.32 0.04 -1.24 -0.12 116.94 115.88 1v85 h PHE 61 Ca 0.52 0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.31 1v85 h PHE 61 Cb 1.21 -0.18 0.00 0.00 2.20 0.00 0.00 35.95 39.18 1v85 h PHE 61 CO -0.24 0.31 0.00 0.45 -0.60 0.00 0.00 178.31 178.22 1v85 n SER 62 N -4.81 0.00 -4.89 2.17 2.88 0.65 -1.16 113.62 108.47 1v85 n SER 62 Ca 0.05 0.22 -0.34 0.00 -1.33 0.00 0.00 58.87 57.47 1v85 n SER 62 Cb 0.11 -0.39 -0.05 0.00 -0.75 0.00 0.00 64.21 63.13 1v85 n SER 62 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1v85 s ARG 63 N -2.79 3.61 0.90 -1.46 1.81 -0.06 -3.97 118.95 116.99 1v85 s ARG 63 Ca 0.18 -0.06 -0.11 0.00 -1.72 0.00 0.00 55.73 54.01 1v85 s ARG 63 Cb 0.16 -3.03 0.11 0.00 -0.45 0.00 0.00 34.95 31.75 1v85 s ARG 63 CO 0.41 0.60 1.00 0.00 -0.68 0.00 0.00 175.30 176.63 1v85 n ALA 64 N 0.86 -1.02 0.17 2.13 0.00 -1.26 -0.59 120.51 120.80 1v85 n ALA 64 Ca -0.09 -0.51 0.02 0.00 0.00 0.00 0.00 53.44 52.86 1v85 n ALA 64 Cb 0.52 -2.12 0.31 0.00 0.00 0.00 0.00 19.45 18.16 1v85 n ALA 64 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1v85 h PRO 65 N -1.59 0.00 -0.87 0.00 0.13 -1.95 -3.42 132.00 124.29 1v85 h PRO 65 Ca -0.44 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 64.92 1v85 h PRO 65 Cb 1.28 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.27 1v85 h PRO 65 CO 0.41 0.44 0.23 1.88 -0.23 0.00 0.00 178.00 180.73 1v85 h TYR 66 N 0.00 0.35 -5.37 1.56 0.05 -1.79 -3.43 116.97 108.34 1v85 h TYR 66 Ca -0.00 0.05 -0.34 0.00 0.05 0.00 0.00 58.73 58.49 1v85 h TYR 66 Cb 0.83 -0.01 -0.19 0.00 1.01 0.00 0.00 36.73 38.36 1v85 h TYR 66 CO 0.00 -0.20 -0.49 -2.37 -1.05 0.00 0.00 178.16 174.05 1v85 n THR 67 N -5.22 -0.08 -1.51 -2.88 5.66 0.24 -4.55 114.28 105.94 1v85 n THR 67 Ca 0.21 -0.04 -0.16 0.00 -3.05 0.00 0.00 64.05 61.01 1v85 n THR 67 Cb 0.67 -0.31 -0.14 0.00 -1.55 0.00 0.00 70.33 69.01 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 -2.48 0.00 -0.70 1.09 5.41 -0.31 -4.73 119.36 117.65 1v85 n ILE 68 Ca 0.03 -0.47 -0.05 0.00 1.00 0.00 0.00 62.75 63.25 1v85 n ILE 68 Cb 0.26 -1.06 -0.07 0.00 -0.71 0.00 0.00 39.64 38.05 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 7.19 1.40 -3.42 0.38 1.02 -1.26 -4.53 120.64 121.41 1v85 n GLU 69 Ca 0.54 -0.42 -0.04 0.00 -0.02 0.00 0.00 57.16 57.21 1v85 n GLU 69 Cb 0.31 -1.43 -0.06 0.00 -0.02 0.00 0.00 31.44 30.24 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 2.01 -0.50 0.06 1.62 2.47 -1.26 -5.06 114.94 114.29 1v85 s ASN 70 Ca 0.28 0.79 -0.34 0.00 0.42 0.00 0.00 52.86 54.01 1v85 s ASN 70 Cb 0.14 1.61 -0.19 0.00 -1.45 0.00 0.00 41.25 41.36 1v85 s ASN 70 CO 0.00 -0.26 1.58 -1.28 -3.72 0.00 0.00 177.10 173.42 1v85 h SER 71 N 8.11 -0.84 -0.79 -4.21 0.87 -2.00 -2.78 113.55 111.90 1v85 h SER 71 Ca -0.19 0.02 0.30 0.00 -1.23 0.00 0.00 61.79 60.69 1v85 h SER 71 Cb 1.14 0.22 -0.14 0.00 -0.44 0.00 0.00 62.40 63.17 1v85 h SER 71 CO 0.20 -0.59 0.30 -0.24 -0.53 0.00 0.00 176.83 175.98 1v85 n SER 72 N -5.51 0.16 0.01 6.23 2.88 -1.26 0.16 113.62 116.29 1v85 n SER 72 Ca -0.14 1.32 -0.12 0.00 -1.33 0.00 0.00 58.87 58.60 1v85 n SER 72 Cb 0.40 -0.59 -0.08 0.00 -0.75 0.00 0.00 64.21 63.19 1v85 n SER 72 CO 0.00 0.00 0.00 -0.74 -1.23 0.00 0.00 175.04 173.07 1v85 h HIS 73 N 0.00 0.04 -0.55 0.66 6.17 -1.91 -2.06 115.15 117.50 1v85 h HIS 73 Ca 0.61 -0.00 -0.03 0.00 0.71 0.00 0.00 60.37 61.66 1v85 h HIS 73 Cb 1.54 -0.01 -0.02 0.00 2.52 0.00 0.00 27.41 31.43 1v85 h HIS 73 CO -0.13 0.24 0.23 0.00 0.71 0.00 0.00 177.93 178.98 1v85 h ARG 74 N -0.16 0.82 -0.36 5.26 3.08 0.17 -1.25 114.38 121.94 1v85 h ARG 74 Ca 0.01 -0.14 0.05 0.00 0.07 0.00 0.00 59.98 59.97 1v85 h ARG 74 Cb 0.21 -0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.08 1v85 h ARG 74 CO -0.00 0.70 0.09 -0.09 -1.07 0.00 0.00 179.97 179.59 1v85 h ARG 75 N 0.75 0.21 0.66 0.04 1.12 -0.59 0.15 114.38 116.72 1v85 h ARG 75 Ca 0.19 -0.01 -0.03 0.00 -1.11 0.00 0.00 59.98 59.01 1v85 h ARG 75 Cb 0.18 -0.05 0.01 0.00 -0.01 0.00 0.00 29.97 30.10 1v85 h ARG 75 CO -0.02 0.14 -0.32 0.28 -3.11 0.00 0.00 179.97 176.94 1v85 h VAL 76 N 0.21 0.19 -0.16 0.20 2.07 -1.19 0.48 116.25 118.06 1v85 h VAL 76 Ca 0.17 -0.28 0.05 0.00 0.82 0.00 0.00 66.70 67.46 1v85 h VAL 76 Cb 0.18 0.24 -0.07 0.00 -1.52 0.00 0.00 31.29 30.13 1v85 h VAL 76 CO -0.21 0.02 -0.40 0.40 0.02 0.00 0.00 177.57 177.40 1v85 h ILE 77 N -1.12 0.16 0.00 4.57 2.04 -1.13 -0.14 117.51 121.89 1v85 h ILE 77 Ca -0.09 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1v85 h ILE 77 Cb 0.72 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.96 1v85 h ILE 77 CO 0.15 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.48 1v85 n LEU 78 N -5.43 0.00 -0.26 1.44 4.32 0.52 -0.37 117.00 117.21 1v85 n LEU 78 Ca -0.04 0.95 0.03 0.00 -0.02 0.00 0.00 56.01 56.93 1v85 n LEU 78 Cb 0.36 -0.45 0.08 0.00 -1.62 0.00 0.00 43.42 41.78 1v85 n LEU 78 CO 0.12 -0.45 0.45 0.41 -1.22 0.00 0.00 177.39 176.70 1v85 n THR 79 N -1.88 -0.32 -0.11 -5.08 -1.04 0.16 0.16 114.28 106.17 1v85 n THR 79 Ca 0.00 1.64 -0.10 0.00 -2.04 0.00 0.00 64.05 63.55 1v85 n THR 79 Cb 0.00 -2.23 -0.02 0.00 -1.82 0.00 0.00 70.33 66.25 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 0.51 -0.05 -2.82 4.39 -0.96 -2.64 114.58 113.01 1v85 h GLU 80 Ca 0.31 -0.12 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 1v85 h GLU 80 Cb 0.49 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1v85 h GLU 80 CO -0.72 0.57 -0.03 -0.07 -1.16 0.00 0.00 179.01 177.60 1v85 h LEU 81 N 0.36 0.06 -1.44 1.33 3.38 0.45 -1.03 115.31 118.43 1v85 h LEU 81 Ca 0.10 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 1v85 h LEU 81 Cb 0.29 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1v85 h LEU 81 CO 0.00 0.11 -0.28 -0.08 0.09 0.00 0.00 178.44 178.28 1v85 h GLU 82 N 0.07 0.00 0.00 1.13 4.57 0.25 -2.50 114.58 118.10 1v85 h GLU 82 Ca 0.02 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 1v85 h GLU 82 Cb 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.70 1v85 h GLU 82 CO 0.00 0.28 -0.15 0.00 -1.18 0.00 0.00 179.01 177.97 1v85 h ARG 83 N 0.00 0.00 -1.00 1.92 3.08 -1.11 -2.72 114.38 114.56 1v85 h ARG 83 Ca -0.00 0.00 0.37 0.00 0.07 0.00 0.00 59.98 60.42 1v85 h ARG 83 Cb 0.54 0.00 -0.16 0.00 0.08 0.00 0.00 29.97 30.43 1v85 h ARG 83 CO 0.04 0.00 0.55 -0.39 -1.07 0.00 0.00 179.97 179.10 1v85 h VAL 84 N -0.68 0.16 -0.02 2.04 -1.51 -1.43 0.20 116.25 115.01 1v85 h VAL 84 Ca 0.00 -0.06 -0.03 0.00 -1.23 0.00 0.00 66.70 65.38 1v85 h VAL 84 Cb 0.15 -0.03 0.00 0.00 -2.13 0.00 0.00 31.29 29.29 1v85 h VAL 84 CO 0.00 0.03 -0.13 0.08 -1.23 0.00 0.00 177.57 176.32 1v85 h ARG 85 N 0.17 0.11 -6.64 5.19 0.11 -1.60 -3.46 114.38 108.26 1v85 h ARG 85 Ca 0.79 -0.10 -0.58 0.00 0.10 0.00 0.00 59.98 60.18 1v85 h ARG 85 Cb 1.94 0.02 0.11 0.00 1.11 0.00 0.00 29.97 33.16 1v85 h ARG 85 CO -0.69 0.80 0.34 0.45 0.10 0.00 0.00 179.97 180.97 1v85 n SER 86 N -4.63 2.12 0.00 0.08 2.88 0.71 -4.96 113.62 109.82 1v85 n SER 86 Ca -0.09 1.19 0.00 0.00 -1.33 0.00 0.00 58.87 58.64 1v85 n SER 86 Cb 0.41 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 1v85 n SER 86 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v85 n GLY 87 N 0.96 3.07 3.67 0.46 0.00 -1.26 -4.91 105.19 107.18 1v85 n GLY 87 Ca 0.07 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.49 0.24 0.22 1.61 0.04 -1.26 -5.00 135.00 129.36 1v85 s PRO 88 Ca 0.00 0.46 -0.30 0.00 0.04 0.00 0.00 61.00 61.20 1v85 s PRO 88 Cb 0.00 -1.72 -0.08 0.00 0.04 0.00 0.00 34.50 32.73 1v85 s PRO 88 CO 0.00 -2.85 1.00 -1.12 0.04 0.00 0.00 177.00 174.08 1v85 s SER 89 N -3.47 7.49 -0.21 6.66 0.01 -1.26 -4.97 113.70 117.94 1v85 s SER 89 Ca 0.66 2.02 -0.11 0.00 1.31 0.00 0.00 55.95 59.82 1v85 s SER 89 Cb -0.18 -2.61 -0.19 0.00 0.21 0.00 0.00 66.02 63.25 1v85 s SER 89 CO 0.58 0.01 0.03 -0.24 0.41 0.00 0.00 173.24 174.02 1v85 n SER 90 N 1.72 1.98 0.00 2.44 2.88 -1.26 -5.36 113.62 116.02 1v85 n SER 90 Ca -0.01 0.24 0.00 0.00 -1.33 0.00 0.00 58.87 57.78 1v85 n SER 90 Cb 0.47 -0.80 0.00 0.00 -0.75 0.00 0.00 64.21 63.13 1v85 n SER 90 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42