#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 1.75 -0.43 1.61 1.04 -1.26 -5.11 113.70 111.30 1v85 s SER 2 Ca 0.00 -0.80 -0.26 0.00 0.48 0.00 0.00 55.95 55.37 1v85 s SER 2 Cb 0.00 -0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.11 1v85 s SER 2 CO 0.00 -0.19 0.94 -0.44 0.98 0.00 0.00 173.24 174.53 1v85 s SER 3 N -2.41 6.57 0.00 7.02 0.01 -1.26 -4.68 113.70 118.96 1v85 s SER 3 Ca 0.07 0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.64 1v85 s SER 3 Cb -0.04 -2.46 0.00 0.00 0.21 0.00 0.00 66.02 63.72 1v85 s SER 3 CO 0.02 -0.99 0.00 0.61 0.41 0.00 0.00 173.24 173.29 1v85 n GLY 4 N 4.72 1.22 3.39 3.44 0.00 -1.26 -5.02 105.19 111.68 1v85 n GLY 4 Ca 0.07 -1.05 -0.50 0.00 0.00 0.00 0.00 46.02 44.54 1v85 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1v85 n SER 5 N 0.00 0.73 -4.19 1.61 2.88 -1.26 -4.89 113.62 108.50 1v85 n SER 5 Ca 0.00 0.39 -0.15 0.00 -1.33 0.00 0.00 58.87 57.78 1v85 n SER 5 Cb 0.00 -0.97 -0.11 0.00 -0.75 0.00 0.00 64.21 62.38 1v85 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1v85 s SER 6 N 7.66 1.59 0.34 -3.46 1.04 -1.26 -4.79 113.70 114.81 1v85 s SER 6 Ca 1.25 -0.80 -0.25 0.00 0.48 0.00 0.00 55.95 56.63 1v85 s SER 6 Cb -1.29 -0.01 -0.14 0.00 0.10 0.00 0.00 66.02 64.67 1v85 s SER 6 CO 0.56 -0.23 0.55 0.61 0.98 0.00 0.00 173.24 175.71 1v85 n GLY 7 N 0.58 -1.53 3.90 7.32 0.00 -1.26 -4.95 105.19 109.25 1v85 n GLY 7 Ca -0.16 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.33 3.51 -0.33 1.61 2.02 -1.26 -5.08 118.70 117.84 1v85 s GLU 8 Ca 0.62 -0.22 0.02 0.00 0.02 0.00 0.00 54.97 55.41 1v85 s GLU 8 Cb -0.71 -3.05 0.10 0.00 0.10 0.00 0.00 34.13 30.57 1v85 s GLU 8 CO 0.59 0.63 0.07 -3.38 0.02 0.00 0.00 175.26 173.18 1v85 s HIS 9 N -1.38 3.04 0.00 1.61 -3.43 -1.26 -4.72 115.29 109.14 1v85 s HIS 9 Ca 0.30 -2.56 0.00 0.00 -0.80 0.00 0.00 55.06 52.00 1v85 s HIS 9 Cb -0.13 -2.50 0.00 0.00 -1.43 0.00 0.00 32.58 28.52 1v85 s HIS 9 CO 0.20 -0.92 0.00 0.41 -2.00 0.00 0.00 174.74 172.43 1v85 n GLY 10 N 4.45 1.85 0.00 -1.38 0.00 -1.26 -4.96 105.19 103.90 1v85 n GLY 10 Ca 0.02 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 0.04 0.99 -0.00 -1.26 -4.01 117.00 112.76 1v85 n LEU 11 Ca 0.00 0.43 -0.14 0.00 -0.00 0.00 0.00 56.01 56.30 1v85 n LEU 11 Cb 0.00 -0.43 -0.09 0.00 -0.00 0.00 0.00 43.42 42.90 1v85 n LEU 11 CO 0.00 -0.01 0.51 -0.07 -0.00 0.00 0.00 177.39 177.82 1v85 h LEU 12 N 0.00 -1.50 -0.97 1.47 3.38 -1.87 -0.51 115.31 115.31 1v85 h LEU 12 Ca 0.00 0.17 0.20 0.00 0.09 0.00 0.00 57.88 58.34 1v85 h LEU 12 Cb 0.42 0.57 -0.11 0.00 0.09 0.00 0.00 40.66 41.63 1v85 h LEU 12 CO 0.00 -0.47 0.55 -0.37 0.09 0.00 0.00 178.44 178.24 1v85 h VAL 13 N -0.60 0.62 0.84 1.22 -1.51 -1.83 -2.12 116.25 112.89 1v85 h VAL 13 Ca 0.01 -0.22 -0.04 0.00 -1.23 0.00 0.00 66.70 65.23 1v85 h VAL 13 Cb 0.65 -0.07 0.00 0.00 -2.13 0.00 0.00 31.29 29.74 1v85 h VAL 13 CO -0.33 0.12 -0.47 -0.74 -1.23 0.00 0.00 177.57 174.91 1v85 h HIS 14 N 0.64 -1.24 -3.05 5.19 -0.00 -1.43 -3.41 115.15 111.85 1v85 h HIS 14 Ca 0.58 -0.02 -0.55 0.00 -0.00 0.00 0.00 60.37 60.39 1v85 h HIS 14 Cb 0.98 0.43 -0.01 0.00 -0.00 0.00 0.00 27.41 28.81 1v85 h HIS 14 CO -0.04 -0.73 0.72 0.21 -0.00 0.00 0.00 177.93 178.10 1v85 s LYS 15 N -5.97 4.34 0.23 5.26 2.20 -0.33 -4.96 119.74 120.51 1v85 s LYS 15 Ca -0.19 1.78 -0.31 0.00 -0.36 0.00 0.00 55.97 56.89 1v85 s LYS 15 Cb 0.03 -3.52 -0.15 0.00 -1.51 0.00 0.00 37.83 32.68 1v85 s LYS 15 CO 0.60 -0.46 1.13 0.00 -0.36 0.00 0.00 175.35 176.27 1v85 n ALA 16 N 5.04 -0.35 -0.02 3.13 0.00 -1.26 -4.82 120.51 122.22 1v85 n ALA 16 Ca 0.11 0.43 0.01 0.00 0.00 0.00 0.00 53.44 53.99 1v85 n ALA 16 Cb 0.45 -2.05 0.34 0.00 0.00 0.00 0.00 19.45 18.19 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 2.43 1.16 0.00 0.00 2.07 -1.85 -0.92 116.25 119.14 1v85 h VAL 17 Ca -0.42 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 66.59 1v85 h VAL 17 Cb 1.33 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1v85 h VAL 17 CO 0.67 0.20 0.00 -0.90 0.02 0.00 0.00 177.57 177.56 1v85 n ASP 18 N -4.37 0.00 -0.31 0.57 5.75 -1.26 -0.71 116.55 116.22 1v85 n ASP 18 Ca 0.03 0.17 0.05 0.00 -0.01 0.00 0.00 54.79 55.03 1v85 n ASP 18 Cb 0.15 -0.27 0.02 0.00 -1.03 0.00 0.00 41.12 39.99 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 -1.27 1.26 -0.86 0.11 4.01 -0.36 -3.98 118.16 117.07 1v85 n LYS 19 Ca 0.03 -0.85 -0.29 0.00 -0.51 0.00 0.00 58.31 56.69 1v85 n LYS 19 Cb 0.05 -1.13 0.23 0.00 -0.51 0.00 0.00 35.03 33.67 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 -1.09 1.16 0.18 2.13 0.52 0.11 -4.95 118.94 117.01 1v85 s TRP 20 Ca 0.10 0.86 0.07 0.00 0.02 0.00 0.00 56.10 57.15 1v85 s TRP 20 Cb 0.08 -3.21 -0.04 0.00 -1.15 0.00 0.00 33.47 29.15 1v85 s TRP 20 CO 0.18 -3.71 -0.14 0.95 0.02 0.00 0.00 176.95 174.25 1v85 s THR 21 N -2.74 1.57 0.60 2.01 -4.23 -1.26 -3.53 115.64 108.06 1v85 s THR 21 Ca 0.68 -2.12 0.28 0.00 -1.18 0.00 0.00 61.69 59.35 1v85 s THR 21 Cb -0.18 -1.94 0.41 0.00 1.34 0.00 0.00 72.50 72.13 1v85 s THR 21 CO 0.59 -0.60 1.36 0.74 -0.54 0.00 0.00 174.62 176.17 1v85 h THR 22 N 2.73 0.03 0.00 3.99 2.02 -1.90 0.31 112.91 120.10 1v85 h THR 22 Ca -0.38 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.80 1v85 h THR 22 Cb 1.21 0.05 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1v85 h THR 22 CO 0.61 0.00 -0.02 -0.08 0.37 0.00 0.00 175.52 176.39 1v85 h GLU 23 N 0.00 0.00 -0.70 6.66 4.81 -1.94 -3.28 114.58 120.13 1v85 h GLU 23 Ca 0.50 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.75 1v85 h GLU 23 Cb 2.86 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 32.19 1v85 h GLU 23 CO -0.01 0.21 0.45 0.93 -0.73 0.00 0.00 179.01 179.86 1v85 h GLU 24 N -1.00 0.85 -0.58 1.92 5.08 -0.94 -1.70 114.58 118.22 1v85 h GLU 24 Ca -0.00 -0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.42 1v85 h GLU 24 Cb 0.23 -0.19 -0.11 0.00 0.50 0.00 0.00 28.75 29.17 1v85 h GLU 24 CO -0.00 0.56 -0.21 0.28 -1.00 0.00 0.00 179.01 178.65 1v85 h VAL 25 N 0.88 0.33 -0.23 3.13 2.07 -0.77 0.18 116.25 121.84 1v85 h VAL 25 Ca 0.28 0.00 -0.13 0.00 0.82 0.00 0.00 66.70 67.67 1v85 h VAL 25 Cb -0.01 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1v85 h VAL 25 CO -0.10 0.00 -0.39 0.58 0.02 0.00 0.00 177.57 177.68 1v85 h VAL 26 N -0.06 1.30 0.19 2.57 2.07 -1.54 -2.89 116.25 117.88 1v85 h VAL 26 Ca 0.27 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 66.24 1v85 h VAL 26 Cb 0.48 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1v85 h VAL 26 CO -0.63 0.48 -0.09 -0.07 0.02 0.00 0.00 177.57 177.28 1v85 h LEU 27 N 0.44 -0.22 -0.96 2.57 3.38 -0.01 0.49 115.31 121.01 1v85 h LEU 27 Ca 0.04 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1v85 h LEU 27 Cb 0.88 0.06 -0.07 0.00 0.09 0.00 0.00 40.66 41.62 1v85 h LEU 27 CO 0.07 -0.15 0.61 -0.25 0.09 0.00 0.00 178.44 178.82 1v85 h TRP 28 N -0.26 1.14 0.00 1.13 7.01 -0.74 -1.08 115.95 123.14 1v85 h TRP 28 Ca -0.03 0.03 -0.12 0.00 2.11 0.00 0.00 58.89 60.89 1v85 h TRP 28 Cb 0.20 -0.37 -0.02 0.00 -2.10 0.00 0.00 29.16 26.87 1v85 h TRP 28 CO -0.06 0.58 -0.57 1.25 -2.79 0.00 0.00 178.44 176.86 1v85 h LEU 29 N 1.11 0.00 0.00 0.65 5.85 -1.27 -2.93 115.31 118.73 1v85 h LEU 29 Ca 0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.14 1v85 h LEU 29 Cb 0.17 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.20 1v85 h LEU 29 CO -0.17 0.57 0.00 -0.62 -0.34 0.00 0.00 178.44 177.87 1v85 n GLU 30 N -3.50 0.92 -0.01 1.25 1.02 0.17 -2.83 120.64 117.66 1v85 n GLU 30 Ca 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.15 1v85 n GLU 30 Cb 0.65 -1.01 -0.05 0.00 -0.02 0.00 0.00 31.44 31.01 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 -0.51 1.04 0.22 3.49 6.02 -1.10 -4.56 117.38 121.98 1v85 n GLN 31 Ca 0.01 -0.04 0.08 0.00 -0.01 0.00 0.00 57.00 57.03 1v85 n GLN 31 Cb 0.00 -1.15 0.49 0.00 1.02 0.00 0.00 30.24 30.60 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 -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1v85 h LEU 32 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1v85 h LEU 32 CO 0.00 0.27 0.00 0.61 0.09 0.00 0.00 178.44 179.41 1v85 n GLY 33 N -0.24 0.97 0.23 0.83 0.00 -1.26 -5.01 105.19 100.72 1v85 n GLY 33 Ca -0.01 -0.82 0.10 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 -1.91 -2.68 132.00 129.15 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 0.22 0.00 0.11 -0.23 0.00 0.00 178.00 178.10 1v85 h TRP 35 N 0.00 0.00 -1.00 1.56 5.08 -1.95 -2.97 115.95 116.68 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 0.66 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.74 1v85 h TRP 35 CO 0.00 0.00 0.63 0.00 -1.28 0.00 0.00 178.44 177.79 1v85 h ALA 36 N 2.14 1.49 0.00 0.11 0.00 -1.73 0.19 119.26 121.46 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 0.32 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1v85 h ALA 36 CO 0.00 0.26 0.04 0.45 0.00 0.00 0.00 179.25 180.00 1v85 n SER 37 N -4.60 0.47 0.10 0.00 2.88 -1.12 -0.15 113.62 111.20 1v85 n SER 37 Ca 0.18 0.71 0.13 0.00 -1.33 0.00 0.00 58.87 58.56 1v85 n SER 37 Cb 0.32 -0.76 0.39 0.00 -0.75 0.00 0.00 64.21 63.41 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 -2.14 0.82 -0.01 2.46 4.77 0.68 -4.02 117.00 119.57 1v85 n LEU 38 Ca -0.01 0.56 -0.01 0.00 -0.03 0.00 0.00 56.01 56.52 1v85 n LEU 38 Cb 0.06 -0.31 -0.01 0.00 -2.33 0.00 0.00 43.42 40.84 1v85 n LEU 38 CO 0.08 -0.18 -0.54 -1.22 -1.33 0.00 0.00 177.39 174.21 1v85 n TYR 39 N -2.27 0.00 -0.31 -1.77 4.02 0.79 -4.70 117.16 112.92 1v85 n TYR 39 Ca 0.05 0.00 0.26 0.00 -0.01 0.00 0.00 57.90 58.21 1v85 n TYR 39 Cb 0.43 -0.05 0.49 0.00 -0.02 0.00 0.00 39.34 40.19 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 -2.20 -0.06 -0.24 -0.72 1.85 0.70 0.14 116.66 116.13 1v85 n ARG 40 Ca -0.02 1.34 0.03 0.00 -1.00 0.00 0.00 57.85 58.20 1v85 n ARG 40 Cb 0.53 -2.33 0.15 0.00 -1.05 0.00 0.00 32.46 29.77 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 0.31 -0.68 2.89 3.32 -1.84 -0.73 116.42 119.68 1v85 h ASP 41 Ca 0.75 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.82 1v85 h ASP 41 Cb 1.91 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 41.49 1v85 h ASP 41 CO -0.77 0.15 0.16 0.03 -1.72 0.00 0.00 179.24 177.09 1v85 h ARG 42 N 0.47 1.10 0.42 3.56 3.08 0.96 -1.63 114.38 122.34 1v85 h ARG 42 Ca 0.37 -0.27 -0.02 0.00 0.07 0.00 0.00 59.98 60.14 1v85 h ARG 42 Cb 0.50 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.41 1v85 h ARG 42 CO -0.35 0.98 -0.25 0.74 -1.07 0.00 0.00 179.97 180.02 1v85 h PHE 43 N 1.03 -0.66 0.56 3.04 -1.00 -0.85 0.22 116.94 119.28 1v85 h PHE 43 Ca 0.21 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.96 1v85 h PHE 43 Cb 0.38 0.23 -0.01 0.00 3.61 0.00 0.00 35.95 40.16 1v85 h PHE 43 CO 0.03 -0.39 -0.36 -0.07 -1.61 0.00 0.00 178.31 175.91 1v85 h LEU 44 N -0.64 -0.93 -0.80 1.54 -0.00 -1.21 0.27 115.31 113.55 1v85 h LEU 44 Ca -0.05 0.06 0.13 0.00 -0.00 0.00 0.00 57.88 58.02 1v85 h LEU 44 Cb 0.52 0.28 -0.09 0.00 -0.00 0.00 0.00 40.66 41.37 1v85 h LEU 44 CO 0.05 -0.56 0.40 -1.28 -0.00 0.00 0.00 178.44 177.05 1v85 h SER 45 N -0.89 0.49 -0.15 -0.43 0.87 -1.28 0.46 113.55 112.63 1v85 h SER 45 Ca -0.07 0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 1v85 h SER 45 Cb 0.73 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.69 1v85 h SER 45 CO 0.06 0.24 0.00 -0.62 -0.53 0.00 0.00 176.83 175.97 1v85 n GLU 46 N -4.87 1.38 -4.39 2.24 -0.58 0.77 -4.89 120.64 110.31 1v85 n GLU 46 Ca 0.15 -0.59 -0.40 0.00 -0.42 0.00 0.00 57.16 55.90 1v85 n GLU 46 Cb 0.37 -1.19 -0.06 0.00 -0.57 0.00 0.00 31.44 29.99 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 -1.37 -2.09 3.49 5.12 0.16 -4.79 116.66 117.12 1v85 n ARG 47 Ca 0.08 0.19 -0.42 0.00 -1.93 0.00 0.00 57.85 55.77 1v85 n ARG 47 Cb 0.16 -4.80 -0.03 0.00 -1.16 0.00 0.00 32.46 26.63 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 -3.20 3.53 0.80 1.55 1.01 0.63 -4.87 120.40 119.85 1v85 s VAL 48 Ca 0.78 0.49 -0.04 0.00 0.00 0.00 0.00 61.98 63.21 1v85 s VAL 48 Cb -0.45 -3.86 0.16 0.00 0.00 0.00 0.00 36.38 32.23 1v85 s VAL 48 CO 0.96 -0.64 1.10 0.54 0.00 0.00 0.00 175.10 177.06 1v85 s ASN 49 N 6.17 3.89 0.07 3.32 2.20 -1.26 -4.40 114.94 124.92 1v85 s ASN 49 Ca 0.72 -0.31 -0.24 0.00 -0.94 0.00 0.00 52.86 52.09 1v85 s ASN 49 Cb -0.18 0.10 -0.10 0.00 -2.00 0.00 0.00 41.25 39.06 1v85 s ASN 49 CO 0.30 -2.19 1.38 1.23 -2.94 0.00 0.00 177.10 174.88 1v85 h GLY 50 N -0.87 -1.17 -0.35 0.45 0.00 -1.72 -0.80 103.07 98.60 1v85 h GLY 50 Ca -0.37 0.59 0.04 0.00 0.00 0.00 0.00 47.33 47.59 1v85 h GLY 50 CO 0.37 -0.33 -0.31 -0.09 0.00 0.00 0.00 176.54 176.18 1v85 h ARG 51 N -0.55 -0.12 -1.09 4.80 9.65 -1.69 0.37 114.38 125.74 1v85 h ARG 51 Ca -0.01 0.01 0.31 0.00 -1.10 0.00 0.00 59.98 59.19 1v85 h ARG 51 Cb 0.54 0.03 -0.11 0.00 -1.39 0.00 0.00 29.97 29.03 1v85 h ARG 51 CO -0.17 -0.08 0.68 1.25 2.80 0.00 0.00 179.97 184.45 1v85 h LEU 52 N -0.12 0.44 -0.00 3.80 5.85 -1.92 0.17 115.31 123.52 1v85 h LEU 52 Ca 0.06 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 1v85 h LEU 52 Cb 0.28 0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1v85 h LEU 52 CO -0.40 -0.01 0.00 0.25 -0.34 0.00 0.00 178.44 177.94 1v85 h LEU 53 N 0.33 0.00 -0.33 2.25 6.46 0.12 -2.04 115.31 122.11 1v85 h LEU 53 Ca 0.68 -0.21 -0.01 0.00 -0.12 0.00 0.00 57.88 58.22 1v85 h LEU 53 Cb 1.74 -0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 41.66 1v85 h LEU 53 CO -0.40 0.21 0.17 -0.07 -0.62 0.00 0.00 178.44 177.73 1v85 h LEU 54 N -0.21 0.42 -0.91 2.25 3.38 0.11 -2.75 115.31 117.60 1v85 h LEU 54 Ca 0.00 -0.11 0.11 0.00 0.09 0.00 0.00 57.88 57.97 1v85 h LEU 54 Cb 0.21 -0.11 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 1v85 h LEU 54 CO -0.00 0.41 0.55 0.71 0.09 0.00 0.00 178.44 180.20 1v85 h THR 55 N 0.40 0.92 -3.43 0.22 1.35 -0.91 -3.43 112.91 108.03 1v85 h THR 55 Ca 0.11 -0.31 -0.54 0.00 -0.55 0.00 0.00 66.41 65.12 1v85 h THR 55 Cb 0.09 -0.06 0.20 0.00 -1.73 0.00 0.00 68.15 66.66 1v85 h THR 55 CO -0.02 0.16 -0.41 0.18 -0.25 0.00 0.00 175.52 175.18 1v85 n LEU 56 N -4.68 0.65 -4.63 3.87 4.77 -0.77 -5.02 117.00 111.19 1v85 n LEU 56 Ca 0.16 0.45 -0.27 0.00 -0.03 0.00 0.00 56.01 56.32 1v85 n LEU 56 Cb 0.31 -1.24 -0.10 0.00 -2.33 0.00 0.00 43.42 40.06 1v85 n LEU 56 CO 0.27 -3.24 -0.28 0.42 -1.33 0.00 0.00 177.39 173.23 1v85 s THR 57 N -2.20 2.16 0.56 -5.08 -4.23 -1.26 -5.01 115.64 100.57 1v85 s THR 57 Ca 0.62 -1.98 0.33 0.00 -1.18 0.00 0.00 61.69 59.48 1v85 s THR 57 Cb -0.27 -2.92 0.37 0.00 1.34 0.00 0.00 72.50 71.02 1v85 s THR 57 CO 0.62 -0.05 2.24 -0.08 -0.54 0.00 0.00 174.62 176.81 1v85 h GLU 58 N 1.75 0.00 0.00 3.99 4.81 -1.97 -2.59 114.58 120.57 1v85 h GLU 58 Ca -0.43 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.76 1v85 h GLU 58 Cb 1.24 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1v85 h GLU 58 CO 0.76 0.03 -0.26 1.49 -0.73 0.00 0.00 179.01 180.29 1v85 h GLU 59 N 0.00 0.00 -0.83 1.92 4.57 -1.98 -3.32 114.58 114.94 1v85 h GLU 59 Ca -0.00 0.00 0.21 0.00 -1.18 0.00 0.00 59.36 58.39 1v85 h GLU 59 Cb 0.09 0.00 -0.14 0.00 -0.16 0.00 0.00 28.75 28.54 1v85 h GLU 59 CO 0.00 0.48 0.15 0.93 -1.18 0.00 0.00 179.01 179.39 1v85 h GLU 60 N -1.00 0.18 -0.33 1.92 4.39 -1.92 0.88 114.58 118.69 1v85 h GLU 60 Ca -0.05 -0.01 0.10 0.00 0.34 0.00 0.00 59.36 59.73 1v85 h GLU 60 Cb 0.60 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1v85 h GLU 60 CO -0.03 0.12 0.24 0.74 -1.16 0.00 0.00 179.01 178.92 1v85 h PHE 61 N 0.18 0.00 -0.42 4.33 0.04 -1.62 0.36 116.94 119.81 1v85 h PHE 61 Ca 0.49 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.26 1v85 h PHE 61 Cb 0.94 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.09 1v85 h PHE 61 CO -0.32 0.00 0.00 0.45 -0.60 0.00 0.00 178.31 177.84 1v85 n SER 62 N -4.38 2.89 0.00 2.17 2.88 0.30 0.13 113.62 117.62 1v85 n SER 62 Ca 0.05 -1.94 0.00 0.00 -1.33 0.00 0.00 58.87 55.65 1v85 n SER 62 Cb 0.42 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1v85 n SER 62 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 1v85 n ARG 63 N 1.10 0.00 -3.63 -1.46 5.12 0.13 -4.24 116.66 113.67 1v85 n ARG 63 Ca 0.19 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 56.07 1v85 n ARG 63 Cb 0.49 -0.08 -0.04 0.00 -1.16 0.00 0.00 32.46 31.67 1v85 n ARG 63 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1v85 s ALA 64 N -4.58 -2.11 0.13 7.54 0.00 -1.06 -3.27 121.76 118.42 1v85 s ALA 64 Ca 0.00 1.83 -0.12 0.00 0.00 0.00 0.00 51.96 53.68 1v85 s ALA 64 Cb 0.00 -1.08 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 1v85 s ALA 64 CO 0.00 -0.34 1.47 -1.00 0.00 0.00 0.00 175.76 175.88 1v85 h PRO 65 N 2.08 0.90 -0.76 0.00 0.13 -1.93 -3.43 132.00 129.01 1v85 h PRO 65 Ca -0.08 -0.48 0.25 0.00 -0.87 0.00 0.00 66.00 64.83 1v85 h PRO 65 Cb 1.17 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.18 1v85 h PRO 65 CO 0.22 1.13 0.18 0.66 -0.23 0.00 0.00 178.00 179.96 1v85 n TYR 66 N -4.10 0.65 -1.86 1.56 4.01 -1.26 -4.62 117.16 111.54 1v85 n TYR 66 Ca -0.02 0.90 0.00 0.00 -0.16 0.00 0.00 57.90 58.62 1v85 n TYR 66 Cb 0.53 -1.17 0.00 0.00 -0.31 0.00 0.00 39.34 38.39 1v85 n TYR 66 CO 0.00 0.00 0.00 -2.37 -0.46 0.00 0.00 176.86 174.03 1v85 n THR 67 N -4.91 0.00 -1.02 -0.72 5.66 -0.73 -4.54 114.28 108.02 1v85 n THR 67 Ca 0.22 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.95 1v85 n THR 67 Cb 0.75 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.43 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 -1.83 0.00 0.30 1.09 5.41 0.36 -4.58 119.36 120.11 1v85 n ILE 68 Ca 0.00 -0.01 -0.05 0.00 1.00 0.00 0.00 62.75 63.70 1v85 n ILE 68 Cb 0.31 -0.33 0.08 0.00 -0.71 0.00 0.00 39.64 38.99 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 5.73 1.68 -3.52 0.38 1.02 -1.26 -4.29 120.64 120.37 1v85 n GLU 69 Ca 0.45 -1.00 -0.23 0.00 -0.02 0.00 0.00 57.16 56.36 1v85 n GLU 69 Cb 0.02 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.80 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 0.10 2.27 0.13 1.62 2.47 -1.26 -5.04 114.94 115.22 1v85 s ASN 70 Ca 0.18 -0.70 -0.27 0.00 0.42 0.00 0.00 52.86 52.49 1v85 s ASN 70 Cb 0.15 0.04 -0.05 0.00 -1.45 0.00 0.00 41.25 39.94 1v85 s ASN 70 CO 0.04 -0.37 1.61 0.28 -3.72 0.00 0.00 177.10 174.93 1v85 h SER 71 N 8.36 -1.05 -0.73 -4.21 0.02 -2.00 -2.27 113.55 111.67 1v85 h SER 71 Ca -0.17 0.14 0.12 0.00 -0.84 0.00 0.00 61.79 61.05 1v85 h SER 71 Cb 1.10 0.43 -0.12 0.00 0.14 0.00 0.00 62.40 63.95 1v85 h SER 71 CO 0.34 -0.39 -0.25 -1.20 -1.14 0.00 0.00 176.83 174.18 1v85 n SER 72 N -5.42 -0.40 -0.05 3.07 7.64 -1.26 0.14 113.62 117.34 1v85 n SER 72 Ca -0.04 1.26 -0.08 0.00 1.01 0.00 0.00 58.87 61.01 1v85 n SER 72 Cb 0.34 -0.32 -0.02 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.02 -0.48 1.43 6.17 -1.85 -2.28 115.15 118.16 1v85 h HIS 73 Ca 0.28 0.02 0.05 0.00 0.71 0.00 0.00 60.37 61.43 1v85 h HIS 73 Cb 0.47 0.02 -0.05 0.00 2.52 0.00 0.00 27.41 30.37 1v85 h HIS 73 CO -0.61 -0.01 0.21 0.00 0.71 0.00 0.00 177.93 178.23 1v85 h ARG 74 N 0.09 0.40 -0.99 5.26 3.08 0.14 -1.69 114.38 120.68 1v85 h ARG 74 Ca 0.10 -0.02 0.12 0.00 0.07 0.00 0.00 59.98 60.25 1v85 h ARG 74 Cb 0.12 -0.09 -0.09 0.00 0.08 0.00 0.00 29.97 29.99 1v85 h ARG 74 CO -0.16 0.27 0.62 -0.09 -1.07 0.00 0.00 179.97 179.53 1v85 h ARG 75 N 0.42 0.93 0.04 0.04 1.12 -0.45 0.22 114.38 116.70 1v85 h ARG 75 Ca 0.22 -0.06 -0.00 0.00 -1.11 0.00 0.00 59.98 59.03 1v85 h ARG 75 Cb 0.17 -0.21 0.00 0.00 -0.01 0.00 0.00 29.97 29.92 1v85 h ARG 75 CO -0.18 0.62 -0.02 0.28 -3.11 0.00 0.00 179.97 177.56 1v85 h VAL 76 N 0.96 1.09 0.35 0.20 2.07 -0.78 -0.88 116.25 119.26 1v85 h VAL 76 Ca 0.50 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.59 1v85 h VAL 76 Cb 0.51 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1v85 h VAL 76 CO -0.27 0.10 -0.17 0.40 0.02 0.00 0.00 177.57 177.65 1v85 h ILE 77 N -0.23 0.00 -0.30 4.57 2.04 -0.82 -0.64 117.51 122.14 1v85 h ILE 77 Ca -0.01 -0.03 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1v85 h ILE 77 Cb 0.21 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.23 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 -0.50 -1.52 -0.14 1.44 -0.00 -1.08 0.49 115.31 114.00 1v85 h LEU 78 Ca -0.05 0.20 0.02 0.00 -0.00 0.00 0.00 57.88 58.05 1v85 h LEU 78 Cb 0.36 0.62 -0.04 0.00 -0.00 0.00 0.00 40.66 41.60 1v85 h LEU 78 CO 0.08 -0.34 -0.33 0.74 -0.00 0.00 0.00 178.44 178.58 1v85 h THR 79 N -0.36 0.00 -0.96 0.22 2.02 -1.24 0.19 112.91 112.79 1v85 h THR 79 Ca 0.05 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.46 1v85 h THR 79 Cb 0.50 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.84 1v85 h THR 79 CO -0.47 0.00 0.63 -0.33 0.37 0.00 0.00 175.52 175.72 1v85 h GLU 80 N -0.31 0.39 -0.41 6.66 4.39 -0.76 0.23 114.58 124.76 1v85 h GLU 80 Ca 0.03 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.60 1v85 h GLU 80 Cb 0.39 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1v85 h GLU 80 CO -0.30 0.26 -0.18 1.25 -1.16 0.00 0.00 179.01 178.87 1v85 h LEU 81 N 0.40 0.78 -2.43 1.33 5.85 0.21 -2.49 115.31 118.96 1v85 h LEU 81 Ca 0.52 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.97 1v85 h LEU 81 Cb 1.31 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 42.13 1v85 h LEU 81 CO -0.21 0.96 -0.01 -0.08 -0.34 0.00 0.00 178.44 178.76 1v85 h GLU 82 N 0.69 0.00 0.00 1.25 4.57 0.23 -1.76 114.58 119.56 1v85 h GLU 82 Ca 0.10 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.28 1v85 h GLU 82 Cb 0.68 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.27 1v85 h GLU 82 CO 0.05 0.01 -0.07 0.00 -1.18 0.00 0.00 179.01 177.82 1v85 h ARG 83 N 0.00 0.00 -0.90 1.92 3.08 -1.29 -2.32 114.38 114.86 1v85 h ARG 83 Ca -0.00 0.00 0.25 0.00 0.07 0.00 0.00 59.98 60.30 1v85 h ARG 83 Cb 0.02 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 29.93 1v85 h ARG 83 CO 0.00 0.00 0.24 -0.39 -1.07 0.00 0.00 179.97 178.76 1v85 h VAL 84 N -0.54 0.27 -0.19 2.04 -1.51 -1.44 0.17 116.25 115.05 1v85 h VAL 84 Ca 0.00 -0.06 -0.13 0.00 -1.23 0.00 0.00 66.70 65.27 1v85 h VAL 84 Cb 0.07 0.07 0.00 0.00 -2.13 0.00 0.00 31.29 29.30 1v85 h VAL 84 CO 0.00 0.03 -0.41 0.08 -1.23 0.00 0.00 177.57 176.05 1v85 h ARG 85 N 0.18 0.61 -7.19 5.19 0.11 -1.48 -3.43 114.38 108.36 1v85 h ARG 85 Ca 0.58 -0.40 -0.48 0.00 0.10 0.00 0.00 59.98 59.78 1v85 h ARG 85 Cb 1.21 0.05 0.04 0.00 1.11 0.00 0.00 29.97 32.38 1v85 h ARG 85 CO -0.69 1.02 0.38 0.45 0.10 0.00 0.00 179.97 181.23 1v85 s SER 86 N -6.61 6.22 0.00 0.08 0.15 0.61 -4.93 113.70 109.21 1v85 s SER 86 Ca -0.12 1.69 0.00 0.00 0.70 0.00 0.00 55.95 58.22 1v85 s SER 86 Cb 0.07 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.86 1v85 s SER 86 CO 0.83 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 175.01 1v85 n GLY 87 N -1.28 0.31 3.75 9.45 0.00 -1.26 -4.79 105.19 111.36 1v85 n GLY 87 Ca 0.08 0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.91 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 0.70 4.41 -0.15 1.61 0.04 -1.26 -5.03 135.00 135.33 1v85 s PRO 88 Ca 0.00 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.03 1v85 s PRO 88 Cb 0.00 -3.17 -0.04 0.00 0.04 0.00 0.00 34.50 31.33 1v85 s PRO 88 CO 0.00 -0.18 0.06 -1.54 0.04 0.00 0.00 177.00 175.38 1v85 s SER 89 N 0.05 5.70 -0.09 6.66 1.04 -1.26 -5.10 113.70 120.70 1v85 s SER 89 Ca 0.54 0.18 -0.09 0.00 0.48 0.00 0.00 55.95 57.05 1v85 s SER 89 Cb -0.36 -1.87 0.02 0.00 0.10 0.00 0.00 66.02 63.91 1v85 s SER 89 CO 0.41 0.27 0.26 -0.55 0.98 0.00 0.00 173.24 174.62 1v85 s SER 90 N -0.22 -0.26 0.00 7.02 0.15 -1.26 -5.35 113.70 113.78 1v85 s SER 90 Ca 0.08 0.49 0.00 0.00 0.70 0.00 0.00 55.95 57.21 1v85 s SER 90 Cb -0.12 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.71 1v85 s SER 90 CO 0.01 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.94