#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 1.25 -3.64 1.61 7.64 -1.26 -5.03 113.62 114.18 1v85 n SER 2 Ca 0.00 0.15 -0.24 0.00 1.01 0.00 0.00 58.87 59.79 1v85 n SER 2 Cb 0.00 -0.40 0.07 0.00 -1.01 0.00 0.00 64.21 62.87 1v85 n SER 2 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1v85 n SER 3 N -3.56 -4.80 0.00 6.43 2.88 -1.26 -4.59 113.62 108.73 1v85 n SER 3 Ca -0.28 -0.63 0.00 0.00 -1.33 0.00 0.00 58.87 56.63 1v85 n SER 3 Cb 0.71 -4.73 0.00 0.00 -0.75 0.00 0.00 64.21 59.44 1v85 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1v85 n GLY 4 N -1.75 0.75 0.10 0.46 0.00 -1.26 -5.05 105.19 98.44 1v85 n GLY 4 Ca -0.07 -0.67 -0.19 0.00 0.00 0.00 0.00 46.02 45.09 1v85 n GLY 4 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1v85 h SER 5 N 0.00 0.10 -4.00 1.61 0.02 -2.00 -3.43 113.55 105.85 1v85 h SER 5 Ca 0.00 -0.76 -0.63 0.00 -0.84 0.00 0.00 61.79 59.56 1v85 h SER 5 Cb 0.00 -0.03 -0.41 0.00 0.14 0.00 0.00 62.40 62.10 1v85 h SER 5 CO 0.00 1.36 -0.67 -0.44 -1.14 0.00 0.00 176.83 175.94 1v85 s SER 6 N -6.69 4.06 0.28 3.07 0.01 -1.26 -5.01 113.70 108.16 1v85 s SER 6 Ca -0.23 -2.90 0.00 0.00 1.31 0.00 0.00 55.95 54.13 1v85 s SER 6 Cb 0.02 -1.41 0.00 0.00 0.21 0.00 0.00 66.02 64.85 1v85 s SER 6 CO 0.67 -0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.69 1v85 n GLY 7 N 3.23 1.10 2.37 3.44 0.00 -1.26 -4.79 105.19 109.28 1v85 n GLY 7 Ca 0.07 0.34 -0.18 0.00 0.00 0.00 0.00 46.02 46.25 1v85 n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1v85 n GLU 8 N 0.00 -1.45 -1.28 1.61 1.02 -1.26 -4.80 120.64 114.47 1v85 n GLU 8 Ca 0.00 0.92 -0.58 0.00 -0.02 0.00 0.00 57.16 57.48 1v85 n GLU 8 Cb 0.00 -5.42 -0.12 0.00 -0.02 0.00 0.00 31.44 25.88 1v85 n GLU 8 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 1v85 n HIS 9 N -3.88 1.11 0.00 -0.32 1.44 -1.26 -3.46 115.22 108.86 1v85 n HIS 9 Ca -0.22 0.72 0.00 0.00 -2.01 0.00 0.00 57.72 56.21 1v85 n HIS 9 Cb 0.66 -2.31 0.00 0.00 0.12 0.00 0.00 29.99 28.47 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 7.38 0.82 0.00 -1.39 0.00 -1.26 -4.94 105.19 105.80 1v85 n GLY 10 Ca 0.56 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.68 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 0.30 0.99 -0.00 -1.22 -3.46 117.00 113.61 1v85 n LEU 11 Ca 0.00 0.06 -0.16 0.00 -0.00 0.00 0.00 56.01 55.91 1v85 n LEU 11 Cb 0.00 -0.06 -0.08 0.00 -0.00 0.00 0.00 43.42 43.27 1v85 n LEU 11 CO 0.00 -0.03 0.63 -0.07 -0.00 0.00 0.00 177.39 177.92 1v85 h LEU 12 N 0.00 -0.63 -1.88 1.47 3.38 -1.87 -0.26 115.31 115.51 1v85 h LEU 12 Ca 0.00 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1v85 h LEU 12 Cb 0.03 0.16 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 1v85 h LEU 12 CO 0.00 -0.39 -0.11 -0.37 0.09 0.00 0.00 178.44 177.66 1v85 h VAL 13 N -0.83 0.88 0.49 1.22 -1.51 -1.88 -3.09 116.25 111.52 1v85 h VAL 13 Ca -0.08 -0.42 -0.02 0.00 -1.23 0.00 0.00 66.70 64.95 1v85 h VAL 13 Cb 0.61 1.24 0.00 0.00 -2.13 0.00 0.00 31.29 31.01 1v85 h VAL 13 CO 0.12 0.11 -0.23 0.45 -1.23 0.00 0.00 177.57 176.79 1v85 h HIS 14 N 0.00 -0.60 -2.96 5.19 3.86 -1.64 -3.43 115.15 115.56 1v85 h HIS 14 Ca -0.00 -0.01 -0.56 0.00 -1.16 0.00 0.00 60.37 58.63 1v85 h HIS 14 Cb 0.23 0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.87 1v85 h HIS 14 CO 0.00 -0.35 0.83 0.21 0.86 0.00 0.00 177.93 179.49 1v85 s LYS 15 N -3.81 4.28 0.16 2.45 2.20 -0.14 -4.94 119.74 119.93 1v85 s LYS 15 Ca -0.10 1.70 -0.31 0.00 -0.36 0.00 0.00 55.97 56.90 1v85 s LYS 15 Cb 0.01 -3.69 -0.17 0.00 -1.51 0.00 0.00 37.83 32.47 1v85 s LYS 15 CO 0.32 -0.61 0.72 0.00 -0.36 0.00 0.00 175.35 175.42 1v85 n ALA 16 N 6.05 -2.71 0.06 3.13 0.00 -1.26 -4.82 120.51 120.95 1v85 n ALA 16 Ca 0.13 0.47 -0.00 0.00 0.00 0.00 0.00 53.44 54.04 1v85 n ALA 16 Cb 0.45 -1.70 0.30 0.00 0.00 0.00 0.00 19.45 18.50 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 1.63 1.22 0.00 0.00 2.07 -1.90 -1.66 116.25 117.61 1v85 h VAL 17 Ca -0.35 -0.96 0.00 0.00 0.82 0.00 0.00 66.70 66.21 1v85 h VAL 17 Cb 1.42 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 1v85 h VAL 17 CO 0.60 0.31 0.00 -0.67 0.02 0.00 0.00 177.57 177.83 1v85 n ASP 18 N -4.22 0.00 -0.38 0.57 2.03 -1.26 -1.43 116.55 111.86 1v85 n ASP 18 Ca 0.00 -0.37 0.05 0.00 0.52 0.00 0.00 54.79 55.00 1v85 n ASP 18 Cb 0.31 -0.05 0.03 0.00 -0.72 0.00 0.00 41.12 40.69 1v85 n ASP 18 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1v85 n LYS 19 N -1.05 1.02 -1.03 -0.67 4.01 -0.63 -3.93 118.16 115.89 1v85 n LYS 19 Ca 0.10 -0.99 -0.29 0.00 -0.51 0.00 0.00 58.31 56.62 1v85 n LYS 19 Cb 0.06 -1.18 0.22 0.00 -0.51 0.00 0.00 35.03 33.63 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 -1.07 1.03 0.23 2.13 0.52 -0.52 -4.97 118.94 116.29 1v85 s TRP 20 Ca 0.12 0.71 0.08 0.00 0.02 0.00 0.00 56.10 57.02 1v85 s TRP 20 Cb 0.09 -3.33 -0.05 0.00 -1.15 0.00 0.00 33.47 29.03 1v85 s TRP 20 CO 0.18 -3.64 -0.13 0.95 0.02 0.00 0.00 176.95 174.33 1v85 s THR 21 N -2.91 1.81 0.59 2.01 -4.23 -1.26 -3.82 115.64 107.83 1v85 s THR 21 Ca 0.69 -2.22 0.33 0.00 -1.18 0.00 0.00 61.69 59.32 1v85 s THR 21 Cb -0.14 -2.17 0.49 0.00 1.34 0.00 0.00 72.50 72.02 1v85 s THR 21 CO 0.57 -0.50 1.42 0.74 -0.54 0.00 0.00 174.62 176.31 1v85 h THR 22 N 2.46 0.03 0.04 3.99 2.02 -1.89 0.68 112.91 120.24 1v85 h THR 22 Ca -0.39 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.79 1v85 h THR 22 Cb 1.23 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1v85 h THR 22 CO 0.63 0.00 -0.02 -0.08 0.37 0.00 0.00 175.52 176.42 1v85 h GLU 23 N 0.00 -0.05 -0.64 6.66 4.81 -1.94 -3.29 114.58 120.13 1v85 h GLU 23 Ca 0.60 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.96 1v85 h GLU 23 Cb 3.05 0.01 -0.10 0.00 0.63 0.00 0.00 28.75 32.34 1v85 h GLU 23 CO -0.01 -0.03 0.08 0.93 -0.73 0.00 0.00 179.01 179.25 1v85 h GLU 24 N -0.66 0.18 -0.80 1.92 4.39 -1.35 -0.70 114.58 117.56 1v85 h GLU 24 Ca -0.01 -0.01 0.18 0.00 0.34 0.00 0.00 59.36 59.86 1v85 h GLU 24 Cb 0.04 -0.04 -0.15 0.00 -0.10 0.00 0.00 28.75 28.50 1v85 h GLU 24 CO 0.01 0.12 -0.07 0.28 -1.16 0.00 0.00 179.01 178.19 1v85 h VAL 25 N 0.19 0.24 -0.13 3.13 2.07 -1.17 0.36 116.25 120.95 1v85 h VAL 25 Ca 0.34 -0.02 -0.16 0.00 0.82 0.00 0.00 66.70 67.68 1v85 h VAL 25 Cb 0.55 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 1v85 h VAL 25 CO -0.49 0.01 -0.61 0.58 0.02 0.00 0.00 177.57 177.08 1v85 h VAL 26 N 0.05 1.35 0.20 2.57 2.07 -1.25 -3.02 116.25 118.21 1v85 h VAL 26 Ca 0.43 -1.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.02 1v85 h VAL 26 Cb 0.74 1.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1v85 h VAL 26 CO -0.76 0.58 -0.09 -0.07 0.02 0.00 0.00 177.57 177.25 1v85 h LEU 27 N 0.33 -0.22 -0.90 2.57 3.38 0.76 0.26 115.31 121.49 1v85 h LEU 27 Ca -0.01 -0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.04 1v85 h LEU 27 Cb 1.15 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.89 1v85 h LEU 27 CO 0.11 -0.15 0.56 -0.25 0.09 0.00 0.00 178.44 178.80 1v85 h TRP 28 N -0.28 1.02 0.00 1.13 7.01 -0.83 -0.62 115.95 123.39 1v85 h TRP 28 Ca -0.03 0.03 -0.09 0.00 2.11 0.00 0.00 58.89 60.91 1v85 h TRP 28 Cb 0.21 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 26.93 1v85 h TRP 28 CO -0.06 0.49 -0.44 1.25 -2.79 0.00 0.00 178.44 176.89 1v85 h LEU 29 N 0.98 0.00 0.00 0.65 5.85 -1.36 -2.76 115.31 118.67 1v85 h LEU 29 Ca 0.41 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.13 1v85 h LEU 29 Cb 0.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1v85 h LEU 29 CO -0.20 0.44 0.00 -0.62 -0.34 0.00 0.00 178.44 177.72 1v85 n GLU 30 N -3.54 0.83 -0.05 1.25 1.02 0.87 -2.85 120.64 118.18 1v85 n GLU 30 Ca -0.00 0.00 -0.05 0.00 -0.02 0.00 0.00 57.16 57.09 1v85 n GLU 30 Cb 0.56 -1.16 -0.08 0.00 -0.02 0.00 0.00 31.44 30.73 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 -0.66 2.27 0.26 3.49 6.02 -1.04 -4.51 117.38 123.21 1v85 n GLN 31 Ca 0.07 -0.01 0.11 0.00 -0.01 0.00 0.00 57.00 57.15 1v85 n GLN 31 Cb 0.03 -1.27 0.71 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 -1.58 -3.46 115.31 114.73 1v85 h LEU 32 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1v85 h LEU 32 Cb 1.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.37 1v85 h LEU 32 CO 0.02 0.07 0.00 0.61 0.09 0.00 0.00 178.44 179.23 1v85 n GLY 33 N -1.16 0.88 0.22 0.83 0.00 -1.25 -5.01 105.19 99.69 1v85 n GLY 33 Ca -0.03 -0.79 0.09 0.00 0.00 0.00 0.00 46.02 45.29 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 -1.89 -2.69 132.00 129.15 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 0.26 0.00 0.11 -0.23 0.00 0.00 178.00 178.14 1v85 h TRP 35 N 0.00 0.00 -0.45 1.56 5.08 -1.94 -2.79 115.95 117.41 1v85 h TRP 35 Ca -0.00 0.00 0.11 0.00 1.08 0.00 0.00 58.89 60.08 1v85 h TRP 35 Cb 0.69 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.83 1v85 h TRP 35 CO 0.00 0.00 0.31 0.00 -1.28 0.00 0.00 178.44 177.47 1v85 h ALA 36 N 2.12 2.27 0.00 0.11 0.00 -1.73 0.28 119.26 122.30 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 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1v85 h ALA 36 CO 0.00 -0.39 0.00 0.45 0.00 0.00 0.00 179.25 179.31 1v85 n SER 37 N -4.44 0.06 0.07 0.00 2.88 -1.05 -0.53 113.62 110.61 1v85 n SER 37 Ca 0.07 0.52 0.12 0.00 -1.33 0.00 0.00 58.87 58.25 1v85 n SER 37 Cb 0.44 -0.53 0.22 0.00 -0.75 0.00 0.00 64.21 63.59 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 -1.57 0.73 -0.01 2.46 4.77 0.97 -4.08 117.00 120.28 1v85 n LEU 38 Ca 0.03 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1v85 n LEU 38 Cb 0.15 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 1v85 n LEU 38 CO 0.12 -0.08 -0.56 -1.22 -1.33 0.00 0.00 177.39 174.31 1v85 n TYR 39 N -2.14 0.00 -0.33 -1.77 4.02 -0.63 -4.70 117.16 111.61 1v85 n TYR 39 Ca 0.04 0.00 0.16 0.00 -0.01 0.00 0.00 57.90 58.09 1v85 n TYR 39 Cb 0.44 -0.11 0.32 0.00 -0.02 0.00 0.00 39.34 39.97 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 -1.82 -0.07 -0.31 -0.72 1.85 0.31 0.15 116.66 116.05 1v85 n ARG 40 Ca -0.02 1.43 0.09 0.00 -1.00 0.00 0.00 57.85 58.35 1v85 n ARG 40 Cb 0.30 -2.31 0.26 0.00 -1.05 0.00 0.00 32.46 29.66 1v85 n ARG 40 CO 0.00 0.00 0.00 0.22 -0.01 0.00 0.00 177.63 177.84 1v85 h ASP 41 N 0.00 0.55 0.30 2.89 3.58 -1.84 0.31 116.42 122.21 1v85 h ASP 41 Ca 0.61 0.10 -0.06 0.00 0.42 0.00 0.00 57.03 58.11 1v85 h ASP 41 Cb 1.33 0.02 -0.01 0.00 1.72 0.00 0.00 39.33 42.39 1v85 h ASP 41 CO -0.89 0.19 -0.30 0.03 -2.88 0.00 0.00 179.24 175.40 1v85 h ARG 42 N 0.61 0.00 -0.03 0.28 3.08 0.11 -0.28 114.38 118.15 1v85 h ARG 42 Ca 0.51 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.52 1v85 h ARG 42 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.83 1v85 h ARG 42 CO -0.40 0.30 -0.13 0.74 -1.07 0.00 0.00 179.97 179.41 1v85 h PHE 43 N 0.00 0.20 0.31 3.04 -1.00 -0.12 -2.39 116.94 116.97 1v85 h PHE 43 Ca -0.00 -0.08 -0.02 0.00 2.81 0.00 0.00 57.97 60.68 1v85 h PHE 43 Cb 0.52 -0.03 0.00 0.00 3.61 0.00 0.00 35.95 40.06 1v85 h PHE 43 CO 0.00 0.76 -0.15 -0.07 -1.61 0.00 0.00 178.31 177.24 1v85 h LEU 44 N -0.42 -0.35 -0.66 1.54 -0.00 -1.06 0.37 115.31 114.72 1v85 h LEU 44 Ca -0.01 -0.17 0.13 0.00 -0.00 0.00 0.00 57.88 57.83 1v85 h LEU 44 Cb 0.77 0.09 -0.09 0.00 -0.00 0.00 0.00 40.66 41.43 1v85 h LEU 44 CO 0.03 -0.00 0.19 -1.28 -0.00 0.00 0.00 178.44 177.38 1v85 h SER 45 N -0.74 0.10 -0.25 -0.43 0.87 -1.18 0.46 113.55 112.38 1v85 h SER 45 Ca -0.04 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1v85 h SER 45 Cb 0.50 0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1v85 h SER 45 CO 0.07 0.04 0.00 -0.62 -0.53 0.00 0.00 176.83 175.79 1v85 n GLU 46 N -5.08 1.61 -4.35 2.24 -0.58 -0.90 -4.91 120.64 108.67 1v85 n GLU 46 Ca 0.11 -0.95 -0.35 0.00 -0.42 0.00 0.00 57.16 55.55 1v85 n GLU 46 Cb 0.36 -1.24 -0.09 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 0.25 -0.85 -1.91 3.49 3.00 0.16 -4.74 116.66 116.07 1v85 n ARG 47 Ca 0.10 0.11 -0.31 0.00 -0.01 0.00 0.00 57.85 57.74 1v85 n ARG 47 Cb 0.24 -3.95 -0.04 0.00 0.00 0.00 0.00 32.46 28.70 1v85 n ARG 47 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1v85 s VAL 48 N -3.85 3.29 0.59 1.55 1.01 0.11 -4.85 120.40 118.24 1v85 s VAL 48 Ca 0.35 -0.04 -0.14 0.00 0.00 0.00 0.00 61.98 62.16 1v85 s VAL 48 Cb -0.20 -3.71 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1v85 s VAL 48 CO 0.98 -0.68 1.02 0.54 0.00 0.00 0.00 175.10 176.97 1v85 s ASN 49 N 9.06 6.20 0.16 3.32 2.20 -1.26 -4.53 114.94 130.08 1v85 s ASN 49 Ca 0.76 1.56 -0.26 0.00 -0.94 0.00 0.00 52.86 53.98 1v85 s ASN 49 Cb -0.11 -2.50 0.01 0.00 -2.00 0.00 0.00 41.25 36.65 1v85 s ASN 49 CO 0.13 -0.89 1.43 0.61 -2.94 0.00 0.00 177.10 175.45 1v85 n GLY 50 N -1.96 -2.29 0.33 0.45 0.00 -1.25 -0.31 105.19 100.16 1v85 n GLY 50 Ca 0.07 1.09 -0.04 0.00 0.00 0.00 0.00 46.02 47.14 1v85 n GLY 50 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1v85 h ARG 51 N 0.00 -0.12 -0.85 1.61 1.12 -1.68 0.33 114.38 114.80 1v85 h ARG 51 Ca 0.19 0.01 0.05 0.00 -1.11 0.00 0.00 59.98 59.12 1v85 h ARG 51 Cb 0.42 0.03 -0.05 0.00 -0.01 0.00 0.00 29.97 30.36 1v85 h ARG 51 CO -0.89 -0.08 0.55 1.25 -3.11 0.00 0.00 179.97 177.70 1v85 h LEU 52 N -0.12 0.86 -1.20 3.80 5.85 -1.02 -1.45 115.31 122.03 1v85 h LEU 52 Ca 0.26 -0.00 0.02 0.00 0.84 0.00 0.00 57.88 59.00 1v85 h LEU 52 Cb 0.55 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 1v85 h LEU 52 CO -0.71 0.57 0.55 0.25 -0.34 0.00 0.00 178.44 178.76 1v85 h LEU 53 N 0.99 0.92 0.24 2.25 5.85 0.14 -1.50 115.31 124.20 1v85 h LEU 53 Ca 0.35 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 1v85 h LEU 53 Cb 0.13 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1v85 h LEU 53 CO -0.12 0.65 -0.11 -0.07 -0.34 0.00 0.00 178.44 178.45 1v85 h LEU 54 N 1.08 -0.27 -0.91 2.25 3.38 -0.27 -3.12 115.31 117.44 1v85 h LEU 54 Ca 0.31 -0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.21 1v85 h LEU 54 Cb -0.05 0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.68 1v85 h LEU 54 CO -0.08 0.05 0.54 0.71 0.09 0.00 0.00 178.44 179.75 1v85 h THR 55 N -0.61 0.88 -2.72 0.22 1.35 -1.24 -3.42 112.91 107.37 1v85 h THR 55 Ca -0.03 -0.29 -0.59 0.00 -0.55 0.00 0.00 66.41 64.94 1v85 h THR 55 Cb 0.44 -0.05 0.11 0.00 -1.73 0.00 0.00 68.15 66.93 1v85 h THR 55 CO 0.05 0.16 0.23 0.18 -0.25 0.00 0.00 175.52 175.89 1v85 n LEU 56 N -4.71 2.29 -4.41 3.87 4.77 -0.58 -5.00 117.00 113.23 1v85 n LEU 56 Ca 0.17 1.18 -0.20 0.00 -0.03 0.00 0.00 56.01 57.12 1v85 n LEU 56 Cb 0.34 -1.34 -0.10 0.00 -2.33 0.00 0.00 43.42 39.98 1v85 n LEU 56 CO 0.26 -1.17 -0.34 0.42 -1.33 0.00 0.00 177.39 175.24 1v85 s THR 57 N -1.08 1.41 0.34 -5.08 -4.23 -1.26 -4.99 115.64 100.75 1v85 s THR 57 Ca 0.58 -2.07 0.24 0.00 -1.18 0.00 0.00 61.69 59.25 1v85 s THR 57 Cb -0.66 -2.50 0.37 0.00 1.34 0.00 0.00 72.50 71.05 1v85 s THR 57 CO 0.60 -0.24 1.25 1.21 -0.54 0.00 0.00 174.62 176.90 1v85 n GLU 58 N -0.57 -0.03 0.00 3.99 2.13 -1.26 -1.16 120.64 123.74 1v85 n GLU 58 Ca -0.05 1.02 0.00 0.00 0.66 0.00 0.00 57.16 58.79 1v85 n GLU 58 Cb 0.64 -1.97 0.00 0.00 0.27 0.00 0.00 31.44 30.38 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 -4.41 0.00 -0.27 5.31 4.71 -1.26 -2.14 120.64 122.58 1v85 n GLU 59 Ca 0.32 0.32 0.23 0.00 -0.01 0.00 0.00 57.16 58.02 1v85 n GLU 59 Cb 1.20 -1.16 0.43 0.00 -1.01 0.00 0.00 31.44 30.89 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 -1.46 -0.05 -0.11 3.49 -0.58 -0.31 0.20 120.64 121.82 1v85 n GLU 60 Ca 0.00 1.16 -0.09 0.00 -0.42 0.00 0.00 57.16 57.81 1v85 n GLU 60 Cb 0.00 -2.02 -0.01 0.00 -0.57 0.00 0.00 31.44 28.84 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 0.46 0.00 -0.32 0.04 -1.35 -1.76 116.94 114.02 1v85 h PHE 61 Ca 0.65 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 61.41 1v85 h PHE 61 Cb 1.65 -0.15 0.00 0.00 2.20 0.00 0.00 35.95 39.65 1v85 h PHE 61 CO -0.11 0.37 0.00 -1.13 -0.60 0.00 0.00 178.31 176.84 1v85 n SER 62 N -4.78 0.00 -4.91 2.17 3.41 0.53 -1.64 113.62 108.40 1v85 n SER 62 Ca -0.01 0.01 -0.32 0.00 -0.26 0.00 0.00 58.87 58.29 1v85 n SER 62 Cb 0.08 -0.32 -0.04 0.00 -0.26 0.00 0.00 64.21 63.66 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 -2.65 3.47 0.95 4.33 1.81 0.34 -3.99 118.95 123.21 1v85 s ARG 63 Ca 0.23 -0.35 -0.11 0.00 -1.72 0.00 0.00 55.73 53.78 1v85 s ARG 63 Cb 0.18 -3.04 0.15 0.00 -0.45 0.00 0.00 34.95 31.79 1v85 s ARG 63 CO 0.42 0.61 1.06 0.00 -0.68 0.00 0.00 175.30 176.71 1v85 n ALA 64 N 0.48 -1.19 0.24 2.13 0.00 -1.26 -0.25 120.51 120.66 1v85 n ALA 64 Ca -0.07 -0.62 0.11 0.00 0.00 0.00 0.00 53.44 52.86 1v85 n ALA 64 Cb 0.52 -2.14 0.55 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.95 0.00 -0.82 0.00 0.13 -1.96 -3.42 132.00 123.98 1v85 h PRO 65 Ca -0.45 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 64.82 1v85 h PRO 65 Cb 1.28 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.32 1v85 h PRO 65 CO 0.41 0.18 0.41 1.88 -0.23 0.00 0.00 178.00 180.66 1v85 h TYR 66 N 0.00 0.72 -4.83 1.56 0.05 -1.79 -3.44 116.97 109.25 1v85 h TYR 66 Ca -0.00 0.03 -0.27 0.00 0.05 0.00 0.00 58.73 58.54 1v85 h TYR 66 Cb 0.63 -0.20 -0.17 0.00 1.01 0.00 0.00 36.73 38.00 1v85 h TYR 66 CO 0.00 0.17 -0.40 -2.37 -1.05 0.00 0.00 178.16 174.52 1v85 n THR 67 N -4.88 0.00 -1.52 -2.88 5.66 0.66 -4.55 114.28 106.76 1v85 n THR 67 Ca 0.16 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.87 1v85 n THR 67 Cb 0.41 -0.22 -0.13 0.00 -1.55 0.00 0.00 70.33 68.84 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 -2.15 -0.02 -0.64 1.09 5.41 -0.65 -4.74 119.36 117.66 1v85 n ILE 68 Ca 0.05 -0.41 -0.06 0.00 1.00 0.00 0.00 62.75 63.33 1v85 n ILE 68 Cb 0.23 -1.11 0.01 0.00 -0.71 0.00 0.00 39.64 38.06 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 7.76 1.29 -3.42 0.38 1.02 -1.26 -4.54 120.64 121.86 1v85 n GLU 69 Ca 0.57 -0.54 -0.15 0.00 -0.02 0.00 0.00 57.16 57.02 1v85 n GLU 69 Cb 0.25 -1.22 -0.10 0.00 -0.02 0.00 0.00 31.44 30.34 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 1.40 1.16 0.06 1.62 2.47 -1.26 -5.05 114.94 115.33 1v85 s ASN 70 Ca 0.12 -0.30 -0.24 0.00 0.42 0.00 0.00 52.86 52.86 1v85 s ASN 70 Cb 0.09 0.64 -0.12 0.00 -1.45 0.00 0.00 41.25 40.41 1v85 s ASN 70 CO -0.00 -0.34 1.37 0.28 -3.72 0.00 0.00 177.10 174.69 1v85 h SER 71 N 8.26 -0.94 -0.73 -4.21 0.02 -2.01 -2.24 113.55 111.70 1v85 h SER 71 Ca -0.16 0.08 0.28 0.00 -0.84 0.00 0.00 61.79 61.14 1v85 h SER 71 Cb 1.13 0.31 -0.13 0.00 0.14 0.00 0.00 62.40 63.84 1v85 h SER 71 CO 0.30 -0.45 0.28 -1.20 -1.14 0.00 0.00 176.83 174.62 1v85 n SER 72 N -4.45 0.16 0.06 3.07 7.64 -1.26 0.18 113.62 119.02 1v85 n SER 72 Ca -0.08 1.22 -0.13 0.00 1.01 0.00 0.00 58.87 60.89 1v85 n SER 72 Cb 0.31 -0.55 -0.07 0.00 -1.01 0.00 0.00 64.21 62.88 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 -0.07 -0.67 1.43 6.17 -1.83 -2.14 115.15 118.03 1v85 h HIS 73 Ca 0.57 -0.00 -0.01 0.00 0.71 0.00 0.00 60.37 61.63 1v85 h HIS 73 Cb 1.43 0.02 -0.03 0.00 2.52 0.00 0.00 27.41 31.35 1v85 h HIS 73 CO -0.11 0.01 0.37 0.00 0.71 0.00 0.00 177.93 178.90 1v85 h ARG 74 N -0.14 0.94 -0.92 5.26 3.08 0.21 -2.26 114.38 120.55 1v85 h ARG 74 Ca -0.01 -0.11 0.09 0.00 0.07 0.00 0.00 59.98 60.02 1v85 h ARG 74 Cb 0.12 -0.18 -0.07 0.00 0.08 0.00 0.00 29.97 29.91 1v85 h ARG 74 CO 0.01 0.71 0.56 -0.09 -1.07 0.00 0.00 179.97 180.10 1v85 h ARG 75 N 0.92 0.93 -0.05 0.04 1.12 -0.89 0.18 114.38 116.63 1v85 h ARG 75 Ca 0.24 -0.06 -0.01 0.00 -1.11 0.00 0.00 59.98 59.04 1v85 h ARG 75 Cb 0.05 -0.21 -0.00 0.00 -0.01 0.00 0.00 29.97 29.80 1v85 h ARG 75 CO -0.04 0.61 -0.00 0.28 -3.11 0.00 0.00 179.97 177.72 1v85 h VAL 76 N 0.96 1.25 0.72 0.20 2.07 -0.97 -0.90 116.25 119.58 1v85 h VAL 76 Ca 0.43 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1v85 h VAL 76 Cb 0.33 1.67 0.01 0.00 -1.52 0.00 0.00 31.29 31.78 1v85 h VAL 76 CO -0.23 0.21 -0.35 0.40 0.02 0.00 0.00 177.57 177.62 1v85 h ILE 77 N -0.21 0.00 0.08 4.57 2.04 -0.91 -1.56 117.51 121.52 1v85 h ILE 77 Ca 0.01 -0.09 0.01 0.00 1.00 0.00 0.00 64.86 65.80 1v85 h ILE 77 Cb 0.33 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.37 1v85 h ILE 77 CO 0.00 0.00 -0.47 -0.07 0.00 0.00 0.00 178.15 177.62 1v85 h LEU 78 N -1.06 -1.41 -0.12 1.44 -0.00 -0.75 0.16 115.31 113.56 1v85 h LEU 78 Ca -0.10 0.15 0.01 0.00 -0.00 0.00 0.00 57.88 57.94 1v85 h LEU 78 Cb 0.74 0.52 -0.02 0.00 -0.00 0.00 0.00 40.66 41.91 1v85 h LEU 78 CO 0.16 -0.48 -0.14 0.74 -0.00 0.00 0.00 178.44 178.72 1v85 h THR 79 N -0.64 0.00 -0.64 0.22 2.02 -1.24 0.23 112.91 112.86 1v85 h THR 79 Ca -0.00 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.30 1v85 h THR 79 Cb 0.66 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.94 1v85 h THR 79 CO -0.27 0.00 -0.21 -0.33 0.37 0.00 0.00 175.52 175.08 1v85 h GLU 80 N -0.09 -0.05 -0.96 6.66 4.39 -1.18 0.23 114.58 123.58 1v85 h GLU 80 Ca 0.02 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.86 1v85 h GLU 80 Cb 0.14 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.71 1v85 h GLU 80 CO -0.16 -0.03 0.58 -0.07 -1.16 0.00 0.00 179.01 178.17 1v85 h LEU 81 N -0.05 0.81 -2.31 1.33 3.38 0.25 0.29 115.31 119.01 1v85 h LEU 81 Ca 0.30 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1v85 h LEU 81 Cb 0.50 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 1v85 h LEU 81 CO -0.68 0.39 -0.04 -0.08 0.09 0.00 0.00 178.44 178.12 1v85 h GLU 82 N 0.86 0.00 0.00 1.13 4.57 0.27 -1.94 114.58 119.48 1v85 h GLU 82 Ca 0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.68 1v85 h GLU 82 Cb 0.59 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 1v85 h GLU 82 CO -0.31 0.04 -0.16 0.00 -1.18 0.00 0.00 179.01 177.40 1v85 h ARG 83 N 0.00 0.00 -0.84 1.92 3.08 -0.04 -2.85 114.38 115.65 1v85 h ARG 83 Ca -0.00 0.00 0.21 0.00 0.07 0.00 0.00 59.98 60.26 1v85 h ARG 83 Cb 0.11 0.00 -0.14 0.00 0.08 0.00 0.00 29.97 30.01 1v85 h ARG 83 CO 0.00 0.00 0.11 -0.39 -1.07 0.00 0.00 179.97 178.63 1v85 h VAL 84 N -0.80 0.29 -0.35 2.04 -1.51 -1.22 0.14 116.25 114.84 1v85 h VAL 84 Ca 0.00 -0.05 -0.07 0.00 -1.23 0.00 0.00 66.70 65.35 1v85 h VAL 84 Cb 0.16 0.14 -0.01 0.00 -2.13 0.00 0.00 31.29 29.45 1v85 h VAL 84 CO 0.00 0.03 -0.07 0.08 -1.23 0.00 0.00 177.57 176.38 1v85 h ARG 85 N 0.14 0.66 -6.15 5.19 0.11 -1.52 -3.41 114.38 109.40 1v85 h ARG 85 Ca 0.50 -0.25 -0.54 0.00 0.10 0.00 0.00 59.98 59.79 1v85 h ARG 85 Cb 0.96 -0.04 -0.03 0.00 1.11 0.00 0.00 29.97 31.96 1v85 h ARG 85 CO -0.69 0.82 1.30 0.45 0.10 0.00 0.00 179.97 181.95 1v85 s SER 86 N -6.25 5.64 0.28 0.08 0.15 0.48 -4.97 113.70 109.10 1v85 s SER 86 Ca -0.13 0.88 -0.21 0.00 0.70 0.00 0.00 55.95 57.19 1v85 s SER 86 Cb 0.09 -2.53 -0.09 0.00 -1.71 0.00 0.00 66.02 61.78 1v85 s SER 86 CO 0.79 -1.99 0.80 -0.83 1.20 0.00 0.00 173.24 173.21 1v85 s GLY 87 N 6.90 2.60 0.53 9.45 0.00 -1.26 -4.85 107.32 120.69 1v85 s GLY 87 Ca 0.74 0.25 0.33 0.00 0.00 0.00 0.00 44.72 46.04 1v85 s GLY 87 CO 0.28 0.60 1.98 -0.56 0.00 0.00 0.00 173.10 175.40 1v85 h PRO 88 N 3.07 0.00 -6.22 2.90 0.13 -1.93 -3.46 132.00 126.49 1v85 h PRO 88 Ca -0.48 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.15 1v85 h PRO 88 Cb 1.19 0.00 0.24 0.00 0.13 0.00 0.00 31.00 32.56 1v85 h PRO 88 CO 0.65 0.00 -1.93 0.43 -0.23 0.00 0.00 178.00 176.91 1v85 n SER 89 N -3.01 -3.68 -4.71 1.44 7.64 -1.26 -4.80 113.62 105.24 1v85 n SER 89 Ca 0.01 0.07 -0.42 0.00 1.01 0.00 0.00 58.87 59.53 1v85 n SER 89 Cb 0.29 -0.74 -0.03 0.00 -1.01 0.00 0.00 64.21 62.72 1v85 n SER 89 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1v85 s SER 90 N -1.27 6.76 0.00 6.43 1.04 -1.26 -5.24 113.70 120.16 1v85 s SER 90 Ca 0.43 2.36 0.00 0.00 0.48 0.00 0.00 55.95 59.22 1v85 s SER 90 Cb -0.05 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.49 1v85 s SER 90 CO 0.71 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.82