#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1v85 n SER 2 N 0.00 -0.60 -3.49 1.61 3.41 -1.26 -4.99 113.62 108.31 1v85 n SER 2 Ca 0.00 1.04 -0.13 0.00 -0.26 0.00 0.00 58.87 59.52 1v85 n SER 2 Cb 0.00 -1.09 -0.04 0.00 -0.26 0.00 0.00 64.21 62.83 1v85 n SER 2 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1v85 s SER 3 N -0.87 -0.53 0.00 4.04 0.01 -1.26 -5.14 113.70 109.95 1v85 s SER 3 Ca 0.62 0.14 0.00 0.00 1.31 0.00 0.00 55.95 58.02 1v85 s SER 3 Cb -0.74 0.56 0.00 0.00 0.21 0.00 0.00 66.02 66.05 1v85 s SER 3 CO 0.58 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 174.00 1v85 n GLY 4 N 0.02 1.08 3.29 3.44 0.00 -1.26 -5.13 105.19 106.64 1v85 n GLY 4 Ca -0.18 -0.05 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 1v85 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1v85 n SER 5 N 0.00 -3.17 -0.05 1.61 7.64 -1.26 -4.95 113.62 113.45 1v85 n SER 5 Ca 0.00 0.36 -0.22 0.00 1.01 0.00 0.00 58.87 60.03 1v85 n SER 5 Cb 0.00 -1.05 -0.13 0.00 -1.01 0.00 0.00 64.21 62.02 1v85 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1v85 n SER 6 N 0.58 2.00 0.00 6.43 7.64 -1.26 -5.07 113.62 123.94 1v85 n SER 6 Ca 0.05 0.30 0.00 0.00 1.01 0.00 0.00 58.87 60.23 1v85 n SER 6 Cb 0.53 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.83 1v85 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1v85 n GLY 7 N 1.72 2.84 3.14 0.23 0.00 -1.26 -5.10 105.19 106.76 1v85 n GLY 7 Ca -0.33 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.43 2.11 -0.36 1.61 8.01 -1.26 -5.05 118.70 122.33 1v85 s GLU 8 Ca 0.00 -1.73 -0.34 0.00 0.01 0.00 0.00 54.97 52.91 1v85 s GLU 8 Cb 0.00 -3.58 -0.14 0.00 -4.31 0.00 0.00 34.13 26.10 1v85 s GLU 8 CO 0.00 -1.02 1.24 -2.39 0.01 0.00 0.00 175.26 173.09 1v85 n HIS 9 N 4.64 1.19 0.00 1.61 1.44 -1.26 -2.94 115.22 119.90 1v85 n HIS 9 Ca -0.04 0.78 0.00 0.00 -2.01 0.00 0.00 57.72 56.45 1v85 n HIS 9 Cb 0.42 -1.62 0.00 0.00 0.12 0.00 0.00 29.99 28.90 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 3.40 4.28 0.00 -1.39 0.00 -1.26 -4.94 105.19 105.28 1v85 n GLY 10 Ca 0.26 -0.68 0.05 0.00 0.00 0.00 0.00 46.02 45.65 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 0.06 0.99 -0.00 -1.15 -3.30 117.00 113.61 1v85 n LEU 11 Ca 0.00 0.48 -0.13 0.00 -0.00 0.00 0.00 56.01 56.36 1v85 n LEU 11 Cb 0.00 -0.48 -0.06 0.00 -0.00 0.00 0.00 43.42 42.88 1v85 n LEU 11 CO 0.00 -0.31 0.60 -0.07 -0.00 0.00 0.00 177.39 177.61 1v85 h LEU 12 N 0.00 -1.18 -0.88 1.47 3.38 -1.87 0.12 115.31 116.35 1v85 h LEU 12 Ca 0.00 0.15 0.10 0.00 0.09 0.00 0.00 57.88 58.22 1v85 h LEU 12 Cb 0.17 0.47 -0.08 0.00 0.09 0.00 0.00 40.66 41.31 1v85 h LEU 12 CO 0.00 -0.44 0.51 -0.37 0.09 0.00 0.00 178.44 178.23 1v85 h VAL 13 N -0.55 0.91 0.78 1.22 -1.51 -1.86 -2.91 116.25 112.32 1v85 h VAL 13 Ca 0.05 -0.29 -0.04 0.00 -1.23 0.00 0.00 66.70 65.19 1v85 h VAL 13 Cb 0.63 -0.01 0.01 0.00 -2.13 0.00 0.00 31.29 29.79 1v85 h VAL 13 CO -0.30 0.15 -0.37 -0.74 -1.23 0.00 0.00 177.57 175.08 1v85 h HIS 14 N 0.84 -0.97 -2.73 5.19 6.17 -1.50 -3.41 115.15 118.75 1v85 h HIS 14 Ca 0.43 -0.02 -0.55 0.00 0.71 0.00 0.00 60.37 60.93 1v85 h HIS 14 Cb 0.40 0.32 -0.01 0.00 2.52 0.00 0.00 27.41 30.64 1v85 h HIS 14 CO -0.05 -0.60 1.00 0.21 0.71 0.00 0.00 177.93 179.20 1v85 s LYS 15 N -5.17 4.21 0.17 5.26 2.20 0.32 -4.92 119.74 121.81 1v85 s LYS 15 Ca -0.15 2.03 -0.31 0.00 -0.36 0.00 0.00 55.97 57.18 1v85 s LYS 15 Cb 0.02 -3.86 -0.17 0.00 -1.51 0.00 0.00 37.83 32.30 1v85 s LYS 15 CO 0.46 -0.77 0.75 0.00 -0.36 0.00 0.00 175.35 175.43 1v85 n ALA 16 N 6.72 -2.48 0.20 3.13 0.00 -1.26 -4.79 120.51 122.02 1v85 n ALA 16 Ca 0.16 0.47 0.06 0.00 0.00 0.00 0.00 53.44 54.12 1v85 n ALA 16 Cb 0.43 -1.73 0.41 0.00 0.00 0.00 0.00 19.45 18.56 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 1.67 0.94 0.00 0.00 2.07 -1.87 -2.38 116.25 116.68 1v85 h VAL 17 Ca -0.35 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 65.89 1v85 h VAL 17 Cb 1.42 1.76 0.00 0.00 -1.52 0.00 0.00 31.29 32.94 1v85 h VAL 17 CO 0.60 0.33 0.00 -0.90 0.02 0.00 0.00 177.57 177.62 1v85 n ASP 18 N -3.72 0.00 -0.17 0.57 5.75 -1.26 -1.79 116.55 115.93 1v85 n ASP 18 Ca -0.01 -0.61 0.03 0.00 -0.01 0.00 0.00 54.79 54.19 1v85 n ASP 18 Cb 0.43 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.53 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 -0.97 1.81 -0.90 0.11 4.01 -0.90 -3.86 118.16 117.47 1v85 n LYS 19 Ca 0.13 -0.57 -0.29 0.00 -0.51 0.00 0.00 58.31 57.07 1v85 n LYS 19 Cb 0.06 -1.00 0.19 0.00 -0.51 0.00 0.00 35.03 33.77 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 -0.93 1.85 0.34 2.13 0.52 -0.74 -4.93 118.94 117.17 1v85 s TRP 20 Ca 0.06 1.27 0.10 0.00 0.02 0.00 0.00 56.10 57.55 1v85 s TRP 20 Cb 0.05 -3.18 -0.06 0.00 -1.15 0.00 0.00 33.47 29.13 1v85 s TRP 20 CO 0.14 -3.05 -0.10 0.95 0.02 0.00 0.00 176.95 174.92 1v85 s THR 21 N -2.73 2.31 0.59 2.01 -4.23 -1.26 -3.09 115.64 109.24 1v85 s THR 21 Ca 0.66 -2.21 0.30 0.00 -1.18 0.00 0.00 61.69 59.26 1v85 s THR 21 Cb -0.21 -2.62 0.43 0.00 1.34 0.00 0.00 72.50 71.44 1v85 s THR 21 CO 0.60 -0.23 1.53 0.74 -0.54 0.00 0.00 174.62 176.72 1v85 h THR 22 N 2.03 0.12 0.00 3.99 2.02 -1.89 0.19 112.91 119.37 1v85 h THR 22 Ca -0.42 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.76 1v85 h THR 22 Cb 1.25 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 67.86 1v85 h THR 22 CO 0.69 0.00 -0.00 -0.08 0.37 0.00 0.00 175.52 176.50 1v85 h GLU 23 N 0.00 0.00 -0.81 6.66 4.81 -1.94 -3.27 114.58 120.03 1v85 h GLU 23 Ca 0.46 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.80 1v85 h GLU 23 Cb 2.49 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 31.79 1v85 h GLU 23 CO -0.00 0.00 0.44 0.93 -0.73 0.00 0.00 179.01 179.64 1v85 h GLU 24 N -0.94 0.68 -0.54 1.92 4.39 -1.44 -1.42 114.58 117.23 1v85 h GLU 24 Ca 0.00 -0.04 0.11 0.00 0.34 0.00 0.00 59.36 59.77 1v85 h GLU 24 Cb 0.00 -0.15 -0.10 0.00 -0.10 0.00 0.00 28.75 28.40 1v85 h GLU 24 CO 0.00 0.45 -0.11 0.28 -1.16 0.00 0.00 179.01 178.47 1v85 h VAL 25 N 0.70 0.47 -0.28 3.13 2.07 -0.87 0.37 116.25 121.84 1v85 h VAL 25 Ca 0.41 -0.01 -0.12 0.00 0.82 0.00 0.00 66.70 67.80 1v85 h VAL 25 Cb 0.45 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 1v85 h VAL 25 CO -0.29 0.00 -0.33 0.58 0.02 0.00 0.00 177.57 177.55 1v85 h VAL 26 N 0.02 1.29 0.23 2.57 2.07 -1.40 -2.92 116.25 118.10 1v85 h VAL 26 Ca 0.26 -1.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 1v85 h VAL 26 Cb 0.41 1.43 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1v85 h VAL 26 CO -0.54 0.47 -0.15 -0.07 0.02 0.00 0.00 177.57 177.29 1v85 h LEU 27 N 0.51 -0.39 -0.86 2.57 3.38 -0.03 0.58 115.31 121.07 1v85 h LEU 27 Ca 0.06 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.14 1v85 h LEU 27 Cb 0.82 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 1v85 h LEU 27 CO 0.07 -0.24 0.52 -0.25 0.09 0.00 0.00 178.44 178.62 1v85 h TRP 28 N -0.38 0.95 0.00 1.13 7.01 -1.01 -0.62 115.95 123.04 1v85 h TRP 28 Ca -0.02 0.03 -0.10 0.00 2.11 0.00 0.00 58.89 60.92 1v85 h TRP 28 Cb 0.32 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 1v85 h TRP 28 CO -0.10 0.43 -0.46 1.25 -2.79 0.00 0.00 178.44 176.77 1v85 h LEU 29 N 0.90 0.00 -0.18 0.65 5.85 -1.27 -2.90 115.31 118.36 1v85 h LEU 29 Ca 0.40 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.12 1v85 h LEU 29 Cb 0.28 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.31 1v85 h LEU 29 CO -0.21 0.46 0.00 -0.62 -0.34 0.00 0.00 178.44 177.73 1v85 n GLU 30 N -3.46 0.98 -0.01 1.25 1.02 0.20 -2.97 120.64 117.65 1v85 n GLU 30 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1v85 n GLU 30 Cb 0.60 -1.09 -0.03 0.00 -0.02 0.00 0.00 31.44 30.90 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 -0.41 1.65 0.24 3.49 6.02 -1.10 -4.60 117.38 122.67 1v85 n GLN 31 Ca 0.00 -0.02 0.10 0.00 -0.01 0.00 0.00 57.00 57.07 1v85 n GLN 31 Cb 0.04 -1.08 0.59 0.00 1.02 0.00 0.00 30.24 30.81 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 -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1v85 h LEU 32 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1v85 h LEU 32 CO 0.00 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.34 1v85 n GLY 33 N -0.51 0.87 0.23 0.83 0.00 -1.26 -5.01 105.19 100.35 1v85 n GLY 33 Ca -0.02 -0.81 0.11 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.66 132.00 129.17 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 0.20 0.00 0.11 -0.23 0.00 0.00 178.00 178.08 1v85 h TRP 35 N 0.00 0.00 -0.85 1.56 5.08 -1.94 -2.94 115.95 116.85 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 0.64 0.00 -0.06 0.00 -3.00 0.00 0.00 29.16 26.74 1v85 h TRP 35 CO 0.00 0.00 0.55 0.00 -1.28 0.00 0.00 178.44 177.71 1v85 h ALA 36 N 2.20 1.62 0.00 0.11 0.00 -1.72 0.13 119.26 121.60 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 0.32 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1v85 h ALA 36 CO 0.00 0.23 0.00 0.45 0.00 0.00 0.00 179.25 179.93 1v85 n SER 37 N -4.50 0.39 0.04 0.00 2.88 -1.11 -0.18 113.62 111.14 1v85 n SER 37 Ca 0.14 0.66 0.13 0.00 -1.33 0.00 0.00 58.87 58.46 1v85 n SER 37 Cb 0.25 -0.72 0.36 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 -2.00 0.50 -0.01 2.46 4.77 0.44 -4.11 117.00 119.06 1v85 n LEU 38 Ca -0.00 0.33 -0.01 0.00 -0.03 0.00 0.00 56.01 56.30 1v85 n LEU 38 Cb 0.07 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 40.83 1v85 n LEU 38 CO 0.09 -0.03 -0.55 -1.22 -1.33 0.00 0.00 177.39 174.35 1v85 n TYR 39 N -1.85 0.00 -0.29 -1.77 4.01 0.19 -4.74 117.16 112.70 1v85 n TYR 39 Ca 0.05 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.81 1v85 n TYR 39 Cb 0.39 -0.07 0.07 0.00 -0.31 0.00 0.00 39.34 39.42 1v85 n TYR 39 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 1v85 n ARG 40 N -2.20 -0.12 -0.29 -0.72 1.85 0.75 0.18 116.66 116.10 1v85 n ARG 40 Ca -0.02 1.22 0.12 0.00 -1.00 0.00 0.00 57.85 58.16 1v85 n ARG 40 Cb 0.54 -1.81 0.28 0.00 -1.05 0.00 0.00 32.46 30.42 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 0.08 -0.01 2.89 3.32 -1.85 0.56 116.42 121.42 1v85 h ASP 41 Ca 0.33 0.18 -0.09 0.00 0.02 0.00 0.00 57.03 57.47 1v85 h ASP 41 Cb 0.52 0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 1v85 h ASP 41 CO -0.79 -0.10 -0.25 0.03 -1.72 0.00 0.00 179.24 176.40 1v85 h ARG 42 N 0.26 0.41 -0.14 3.56 3.08 0.16 -2.06 114.38 119.65 1v85 h ARG 42 Ca 0.53 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 60.42 1v85 h ARG 42 Cb 1.05 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 1v85 h ARG 42 CO -0.61 0.64 0.03 0.74 -1.07 0.00 0.00 179.97 179.70 1v85 h PHE 43 N 0.37 0.23 0.42 3.04 -1.00 0.70 -0.80 116.94 119.91 1v85 h PHE 43 Ca 0.06 -0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.79 1v85 h PHE 43 Cb 0.64 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.14 1v85 h PHE 43 CO 0.02 0.37 -0.20 -0.07 -1.61 0.00 0.00 178.31 176.82 1v85 h LEU 44 N 0.02 -0.48 -0.93 1.54 -0.00 -1.10 0.35 115.31 114.71 1v85 h LEU 44 Ca 0.04 -0.06 0.13 0.00 -0.00 0.00 0.00 57.88 57.99 1v85 h LEU 44 Cb 0.26 0.12 -0.09 0.00 -0.00 0.00 0.00 40.66 40.96 1v85 h LEU 44 CO 0.00 -0.22 0.55 -1.28 -0.00 0.00 0.00 178.44 177.49 1v85 h SER 45 N -0.72 0.77 -0.21 -0.43 0.87 -1.41 0.43 113.55 112.85 1v85 h SER 45 Ca -0.06 0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1v85 h SER 45 Cb 0.51 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 1v85 h SER 45 CO 0.09 0.39 0.00 -0.62 -0.53 0.00 0.00 176.83 176.16 1v85 n GLU 46 N -4.72 1.54 -3.75 2.24 -0.58 -0.31 -4.88 120.64 110.18 1v85 n GLU 46 Ca 0.18 -0.79 -0.27 0.00 -0.42 0.00 0.00 57.16 55.85 1v85 n GLU 46 Cb 0.37 -1.20 -0.04 0.00 -0.57 0.00 0.00 31.44 30.01 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 0.14 -2.08 -1.66 3.49 5.12 0.15 -4.73 116.66 117.09 1v85 n ARG 47 Ca 0.07 0.20 -0.22 0.00 -1.93 0.00 0.00 57.85 55.97 1v85 n ARG 47 Cb 0.20 -4.80 -0.05 0.00 -1.16 0.00 0.00 32.46 26.65 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 -2.87 3.09 0.52 1.55 1.01 0.11 -4.86 120.40 118.95 1v85 s VAL 48 Ca 0.53 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.43 1v85 s VAL 48 Cb -0.30 -3.21 -0.00 0.00 0.00 0.00 0.00 36.38 32.87 1v85 s VAL 48 CO 0.65 -0.20 0.80 0.54 0.00 0.00 0.00 175.10 176.88 1v85 s ASN 49 N 10.65 5.74 0.14 3.32 2.20 -1.26 -4.50 114.94 131.23 1v85 s ASN 49 Ca 0.89 0.56 -0.28 0.00 -0.94 0.00 0.00 52.86 53.09 1v85 s ASN 49 Cb -0.13 -1.68 -0.06 0.00 -2.00 0.00 0.00 41.25 37.37 1v85 s ASN 49 CO 0.12 -0.88 1.48 1.23 -2.94 0.00 0.00 177.10 176.11 1v85 h GLY 50 N 0.09 -1.05 -0.75 0.45 0.00 -1.71 0.30 103.07 100.40 1v85 h GLY 50 Ca -0.46 0.84 0.19 0.00 0.00 0.00 0.00 47.33 47.91 1v85 h GLY 50 CO 0.59 -0.07 -0.14 -0.09 0.00 0.00 0.00 176.54 176.83 1v85 h ARG 51 N -0.01 0.02 -0.43 4.80 1.12 -1.67 0.63 114.38 118.84 1v85 h ARG 51 Ca 0.14 -0.00 -0.10 0.00 -1.11 0.00 0.00 59.98 58.91 1v85 h ARG 51 Cb 0.37 -0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.31 1v85 h ARG 51 CO -0.83 0.01 -0.16 1.25 -3.11 0.00 0.00 179.97 177.13 1v85 h LEU 52 N 0.02 0.81 -1.81 3.80 5.85 -1.00 -2.28 115.31 120.69 1v85 h LEU 52 Ca 0.46 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1v85 h LEU 52 Cb 0.77 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1v85 h LEU 52 CO -0.88 0.96 0.00 0.25 -0.34 0.00 0.00 178.44 178.44 1v85 h LEU 53 N 0.72 0.00 0.00 2.25 5.85 0.35 -0.38 115.31 124.10 1v85 h LEU 53 Ca 0.11 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.61 1v85 h LEU 53 Cb 0.66 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 1v85 h LEU 53 CO 0.05 0.00 -1.25 0.18 -0.34 0.00 0.00 178.44 177.08 1v85 n LEU 54 N -2.50 1.86 0.27 2.25 4.77 -0.65 -4.20 117.00 118.80 1v85 n LEU 54 Ca -0.02 0.44 0.12 0.00 -0.03 0.00 0.00 56.01 56.53 1v85 n LEU 54 Cb 0.06 -0.95 0.74 0.00 -2.33 0.00 0.00 43.42 40.94 1v85 n LEU 54 CO 0.14 0.21 0.99 0.00 -1.33 0.00 0.00 177.39 177.40 1v85 h THR 55 N -1.00 0.61 -3.27 -5.08 1.03 -1.22 -3.43 112.91 100.55 1v85 h THR 55 Ca -0.33 -0.45 -0.53 0.00 -0.01 0.00 0.00 66.41 65.09 1v85 h THR 55 Cb 1.24 1.29 0.08 0.00 -1.07 0.00 0.00 68.15 69.69 1v85 h THR 55 CO -0.20 0.10 0.90 -0.76 -0.01 0.00 0.00 175.52 175.55 1v85 s LEU 56 N -7.46 4.35 0.33 0.00 1.43 -0.18 -5.01 118.68 112.13 1v85 s LEU 56 Ca -0.03 2.95 0.07 0.00 -1.03 0.00 0.00 54.13 56.09 1v85 s LEU 56 Cb 0.14 -3.63 -0.06 0.00 0.03 0.00 0.00 46.19 42.66 1v85 s LEU 56 CO 0.59 -0.92 -0.05 0.42 0.23 0.00 0.00 176.35 176.62 1v85 s THR 57 N 0.11 1.87 0.28 5.49 -4.23 -1.26 -5.00 115.64 112.90 1v85 s THR 57 Ca 0.64 -2.12 0.11 0.00 -1.18 0.00 0.00 61.69 59.15 1v85 s THR 57 Cb -0.48 -2.65 0.30 0.00 1.34 0.00 0.00 72.50 71.01 1v85 s THR 57 CO 0.46 -0.18 1.28 1.21 -0.54 0.00 0.00 174.62 176.85 1v85 n GLU 58 N -0.73 -0.05 0.00 3.99 2.13 -1.26 -1.02 120.64 123.69 1v85 n GLU 58 Ca -0.05 1.15 0.00 0.00 0.66 0.00 0.00 57.16 58.92 1v85 n GLU 58 Cb 0.64 -1.98 0.00 0.00 0.27 0.00 0.00 31.44 30.37 1v85 n GLU 58 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 1v85 n GLU 59 N -4.95 0.00 -0.30 5.31 4.71 -1.26 -1.18 120.64 122.97 1v85 n GLU 59 Ca 0.26 0.50 0.17 0.00 -0.01 0.00 0.00 57.16 58.08 1v85 n GLU 59 Cb 0.89 -1.44 0.32 0.00 -1.01 0.00 0.00 31.44 30.20 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 -1.93 -0.07 -0.26 3.49 -0.58 -0.19 0.20 120.64 121.31 1v85 n GLU 60 Ca 0.00 1.31 -0.06 0.00 -0.42 0.00 0.00 57.16 57.99 1v85 n GLU 60 Cb 0.00 -2.14 0.05 0.00 -0.57 0.00 0.00 31.44 28.79 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 1.02 -0.00 -0.32 0.04 -1.22 -1.58 116.94 114.88 1v85 h PHE 61 Ca 0.59 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 61.32 1v85 h PHE 61 Cb 1.32 -0.32 0.00 0.00 2.20 0.00 0.00 35.95 39.15 1v85 h PHE 61 CO -0.35 0.73 -0.00 -1.13 -0.60 0.00 0.00 178.31 176.96 1v85 n SER 62 N -4.45 0.00 -4.90 2.17 3.41 0.54 -0.85 113.62 109.54 1v85 n SER 62 Ca 0.06 0.16 -0.32 0.00 -0.26 0.00 0.00 58.87 58.51 1v85 n SER 62 Cb 0.11 -0.39 -0.05 0.00 -0.26 0.00 0.00 64.21 63.63 1v85 n SER 62 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1v85 s ARG 63 N -2.77 3.52 0.99 4.33 1.81 0.11 -3.90 118.95 123.03 1v85 s ARG 63 Ca 0.22 -0.24 -0.11 0.00 -1.72 0.00 0.00 55.73 53.88 1v85 s ARG 63 Cb 0.20 -3.01 0.19 0.00 -0.45 0.00 0.00 34.95 31.87 1v85 s ARG 63 CO 0.49 0.59 1.12 0.00 -0.68 0.00 0.00 175.30 176.82 1v85 s ALA 64 N -1.46 0.92 0.06 2.13 0.00 -1.26 -0.15 121.76 122.00 1v85 s ALA 64 Ca 0.33 0.43 0.33 0.00 0.00 0.00 0.00 51.96 53.05 1v85 s ALA 64 Cb -0.13 -3.41 1.38 0.00 0.00 0.00 0.00 23.12 20.96 1v85 s ALA 64 CO 0.23 -3.09 1.97 -1.00 0.00 0.00 0.00 175.76 173.87 1v85 h PRO 65 N -2.11 0.00 -0.66 0.00 0.13 -1.96 -3.42 132.00 123.98 1v85 h PRO 65 Ca -0.48 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.71 1v85 h PRO 65 Cb 1.29 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 1v85 h PRO 65 CO 0.43 0.00 0.37 1.88 -0.23 0.00 0.00 178.00 180.45 1v85 h TYR 66 N 0.00 0.67 -5.54 1.56 0.05 -1.79 -3.44 116.97 108.49 1v85 h TYR 66 Ca 0.00 0.02 -0.37 0.00 0.05 0.00 0.00 58.73 58.44 1v85 h TYR 66 Cb 0.47 -0.21 -0.23 0.00 1.01 0.00 0.00 36.73 37.78 1v85 h TYR 66 CO 0.00 0.32 -0.53 -2.37 -1.05 0.00 0.00 178.16 174.53 1v85 n THR 67 N -4.79 0.00 -1.51 -2.88 5.66 0.78 -4.56 114.28 106.98 1v85 n THR 67 Ca 0.08 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.72 1v85 n THR 67 Cb 0.17 -0.29 -0.13 0.00 -1.55 0.00 0.00 70.33 68.53 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 -2.72 -0.02 0.82 1.09 5.41 -0.03 -4.72 119.36 119.20 1v85 n ILE 68 Ca 0.07 -0.25 0.13 0.00 1.00 0.00 0.00 62.75 63.69 1v85 n ILE 68 Cb 0.30 -1.01 0.36 0.00 -0.71 0.00 0.00 39.64 38.58 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 8.28 0.12 -3.27 0.38 1.02 -1.26 -4.49 120.64 121.42 1v85 n GLU 69 Ca 0.59 0.06 -0.46 0.00 -0.02 0.00 0.00 57.16 57.33 1v85 n GLU 69 Cb 0.17 -1.60 -0.01 0.00 -0.02 0.00 0.00 31.44 29.98 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 -3.58 6.92 0.23 1.62 3.84 -1.26 -4.92 114.94 117.79 1v85 s ASN 70 Ca 0.11 -2.88 -0.13 0.00 0.21 0.00 0.00 52.86 50.16 1v85 s ASN 70 Cb 0.16 -2.24 0.30 0.00 -0.55 0.00 0.00 41.25 38.92 1v85 s ASN 70 CO 0.64 -0.56 1.43 -1.20 -2.79 0.00 0.00 177.10 174.63 1v85 n SER 71 N 3.99 -0.50 -0.28 -4.21 7.64 -1.26 0.62 113.62 119.62 1v85 n SER 71 Ca 0.19 1.60 0.17 0.00 1.01 0.00 0.00 58.87 61.84 1v85 n SER 71 Cb 0.45 -0.41 0.32 0.00 -1.01 0.00 0.00 64.21 63.56 1v85 n SER 71 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1v85 n SER 72 N -5.41 0.03 0.15 6.43 2.88 -1.26 0.95 113.62 117.39 1v85 n SER 72 Ca 0.11 1.40 -0.14 0.00 -1.33 0.00 0.00 58.87 58.92 1v85 n SER 72 Cb 0.40 -0.57 -0.07 0.00 -0.75 0.00 0.00 64.21 63.23 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 -0.41 -1.00 0.66 6.17 -0.24 -2.25 115.15 118.08 1v85 h HIS 73 Ca 0.57 -0.00 0.09 0.00 0.71 0.00 0.00 60.37 61.73 1v85 h HIS 73 Cb 1.31 0.15 -0.07 0.00 2.52 0.00 0.00 27.41 31.31 1v85 h HIS 73 CO -0.29 -0.24 0.64 0.00 0.71 0.00 0.00 177.93 178.74 1v85 h ARG 74 N -0.38 1.07 -0.95 5.26 3.08 0.56 -1.17 114.38 121.86 1v85 h ARG 74 Ca -0.01 -0.06 0.04 0.00 0.07 0.00 0.00 59.98 60.01 1v85 h ARG 74 Cb 0.33 -0.24 -0.06 0.00 0.08 0.00 0.00 29.97 30.08 1v85 h ARG 74 CO -0.00 0.71 0.61 -0.09 -1.07 0.00 0.00 179.97 180.13 1v85 h ARG 75 N 1.10 1.15 -0.06 0.04 1.12 -0.77 0.50 114.38 117.46 1v85 h ARG 75 Ca 0.45 -0.07 -0.02 0.00 -1.11 0.00 0.00 59.98 59.23 1v85 h ARG 75 Cb 0.29 -0.26 -0.00 0.00 -0.01 0.00 0.00 29.97 29.99 1v85 h ARG 75 CO -0.20 0.76 -0.04 0.28 -3.11 0.00 0.00 179.97 177.65 1v85 h VAL 76 N 1.19 1.35 0.34 0.20 2.07 -0.68 -1.80 116.25 118.92 1v85 h VAL 76 Ca 0.38 -1.12 -0.02 0.00 0.82 0.00 0.00 66.70 66.76 1v85 h VAL 76 Cb 0.02 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1v85 h VAL 76 CO -0.13 0.31 -0.17 0.40 0.02 0.00 0.00 177.57 178.01 1v85 h ILE 77 N -0.27 0.00 -0.12 4.57 2.04 -1.02 -1.36 117.51 121.34 1v85 h ILE 77 Ca 0.01 -0.01 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1v85 h ILE 77 Cb 0.52 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 36.54 1v85 h ILE 77 CO 0.01 0.00 -0.46 -0.07 0.00 0.00 0.00 178.15 177.63 1v85 h LEU 78 N -0.47 -1.47 -0.27 1.44 3.38 -1.04 0.14 115.31 117.02 1v85 h LEU 78 Ca -0.05 0.17 0.03 0.00 0.09 0.00 0.00 57.88 58.12 1v85 h LEU 78 Cb 0.35 0.57 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 1v85 h LEU 78 CO 0.08 -0.41 -0.25 0.74 0.09 0.00 0.00 178.44 178.69 1v85 h THR 79 N -0.49 0.00 -0.82 0.22 2.02 -1.40 0.26 112.91 112.70 1v85 h THR 79 Ca 0.03 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.40 1v85 h THR 79 Cb 0.57 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.87 1v85 h THR 79 CO -0.37 0.00 0.28 -0.33 0.37 0.00 0.00 175.52 175.47 1v85 h GLU 80 N -0.11 0.33 -0.16 6.66 4.39 -1.01 0.48 114.58 125.16 1v85 h GLU 80 Ca 0.05 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.71 1v85 h GLU 80 Cb 0.23 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 1v85 h GLU 80 CO -0.31 0.22 0.04 -0.07 -1.16 0.00 0.00 179.01 177.73 1v85 h LEU 81 N 0.34 0.20 -1.86 1.33 3.38 0.14 -0.47 115.31 118.36 1v85 h LEU 81 Ca 0.49 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.43 1v85 h LEU 81 Cb 0.88 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 1v85 h LEU 81 CO -0.52 0.20 -0.06 -0.08 0.09 0.00 0.00 178.44 178.07 1v85 h GLU 82 N 0.22 0.00 0.00 1.13 4.57 0.33 -2.30 114.58 118.53 1v85 h GLU 82 Ca 0.06 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1v85 h GLU 82 Cb 0.08 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1v85 h GLU 82 CO -0.00 0.06 -0.62 0.54 -1.18 0.00 0.00 179.01 177.81 1v85 n ARG 83 N -3.27 0.47 -0.34 1.92 1.74 -0.27 -3.07 116.66 113.83 1v85 n ARG 83 Ca -0.01 0.50 0.21 0.00 -0.77 0.00 0.00 57.85 57.78 1v85 n ARG 83 Cb 0.25 -1.67 0.44 0.00 -1.02 0.00 0.00 32.46 30.46 1v85 n ARG 83 CO 0.00 0.00 0.00 -0.39 -1.52 0.00 0.00 177.63 175.72 1v85 h VAL 84 N -1.00 0.47 -0.08 1.55 -1.51 -1.37 0.53 116.25 114.84 1v85 h VAL 84 Ca -0.03 -0.16 -0.14 0.00 -1.23 0.00 0.00 66.70 65.15 1v85 h VAL 84 Cb 0.61 -0.04 0.01 0.00 -2.13 0.00 0.00 31.29 29.73 1v85 h VAL 84 CO -0.02 0.09 -0.48 0.08 -1.23 0.00 0.00 177.57 176.01 1v85 h ARG 85 N 0.47 0.47 -6.21 5.19 0.11 -1.60 -3.45 114.38 109.36 1v85 h ARG 85 Ca 0.66 -0.40 -0.59 0.00 0.10 0.00 0.00 59.98 59.76 1v85 h ARG 85 Cb 1.43 0.09 0.19 0.00 1.11 0.00 0.00 29.97 32.78 1v85 h ARG 85 CO -0.46 1.03 -0.95 0.45 0.10 0.00 0.00 179.97 180.14 1v85 n SER 86 N -4.27 -2.98 -3.34 0.08 2.88 0.18 -4.97 113.62 101.19 1v85 n SER 86 Ca -0.08 0.62 -0.25 0.00 -1.33 0.00 0.00 58.87 57.82 1v85 n SER 86 Cb 0.59 -0.96 -0.09 0.00 -0.75 0.00 0.00 64.21 63.00 1v85 n SER 86 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1v85 s GLY 87 N -1.11 0.91 1.12 0.46 0.00 -1.26 -4.98 107.32 102.46 1v85 s GLY 87 Ca 0.59 -2.18 -0.19 0.00 0.00 0.00 0.00 44.72 42.94 1v85 s GLY 87 CO 0.64 2.28 0.99 -1.55 0.00 0.00 0.00 173.10 175.46 1v85 n PRO 88 N 3.00 -2.96 -4.34 2.90 -0.04 -1.26 -5.08 135.00 127.22 1v85 n PRO 88 Ca 0.27 -1.59 -0.23 0.00 -0.04 0.00 0.00 63.50 61.91 1v85 n PRO 88 Cb 0.48 -1.49 -0.11 0.00 -0.04 0.00 0.00 33.50 32.34 1v85 n PRO 88 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1v85 s SER 89 N -4.18 2.81 -0.48 3.54 0.15 -1.26 -5.06 113.70 109.23 1v85 s SER 89 Ca 0.64 -0.84 -0.44 0.00 0.70 0.00 0.00 55.95 56.02 1v85 s SER 89 Cb -0.06 -0.17 -0.19 0.00 -1.71 0.00 0.00 66.02 63.88 1v85 s SER 89 CO 0.49 0.01 1.66 -1.20 1.20 0.00 0.00 173.24 175.40 1v85 n SER 90 N 0.40 1.04 0.00 5.45 7.64 -1.26 -5.36 113.62 121.53 1v85 n SER 90 Ca -0.14 1.01 0.00 0.00 1.01 0.00 0.00 58.87 60.75 1v85 n SER 90 Cb 0.56 -0.84 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 1v85 n SER 90 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64