#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 4.86 -0.39 1.61 1.04 -1.26 -5.05 113.70 114.50 1v85 s SER 2 Ca 0.00 -2.46 -0.05 0.00 0.48 0.00 0.00 55.95 53.92 1v85 s SER 2 Cb 0.00 -1.72 0.09 0.00 0.10 0.00 0.00 66.02 64.49 1v85 s SER 2 CO 0.00 -0.38 0.19 -0.44 0.98 0.00 0.00 173.24 173.59 1v85 s SER 3 N 0.80 5.33 0.00 7.02 0.01 -1.26 -4.99 113.70 120.61 1v85 s SER 3 Ca 0.13 -1.72 0.00 0.00 1.31 0.00 0.00 55.95 55.67 1v85 s SER 3 Cb -0.22 -1.87 0.00 0.00 0.21 0.00 0.00 66.02 64.15 1v85 s SER 3 CO -0.04 -0.50 0.00 0.61 0.41 0.00 0.00 173.24 173.72 1v85 n GLY 4 N 4.72 -0.67 3.73 3.44 0.00 -1.26 -5.15 105.19 110.01 1v85 n GLY 4 Ca -0.07 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 1v85 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1v85 s SER 5 N -4.00 3.94 -0.03 1.61 0.01 -1.26 -5.06 113.70 108.91 1v85 s SER 5 Ca 0.00 1.87 0.04 0.00 1.31 0.00 0.00 55.95 59.16 1v85 s SER 5 Cb 0.00 -2.49 -0.00 0.00 0.21 0.00 0.00 66.02 63.74 1v85 s SER 5 CO 0.00 -2.40 -0.14 -0.44 0.41 0.00 0.00 173.24 170.67 1v85 s SER 6 N -3.21 1.71 0.00 2.44 0.01 -1.26 -5.09 113.70 108.30 1v85 s SER 6 Ca 0.63 -0.27 0.00 0.00 1.31 0.00 0.00 55.95 57.62 1v85 s SER 6 Cb -0.19 -0.38 0.00 0.00 0.21 0.00 0.00 66.02 65.67 1v85 s SER 6 CO 0.57 0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.96 1v85 n GLY 7 N 3.06 3.34 3.69 3.44 0.00 -1.26 -5.04 105.19 112.42 1v85 n GLY 7 Ca -0.17 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 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 -4.37 4.39 -0.62 1.61 0.41 -1.26 -5.00 118.70 113.87 1v85 s GLU 8 Ca 0.00 1.56 -0.13 0.00 -0.41 0.00 0.00 54.97 55.98 1v85 s GLU 8 Cb 0.00 -3.53 0.16 0.00 -1.78 0.00 0.00 34.13 28.97 1v85 s GLU 8 CO 0.00 -0.37 0.55 -3.38 -0.49 0.00 0.00 175.26 171.57 1v85 s HIS 9 N 2.01 3.45 0.00 1.61 -3.43 -1.26 -4.54 115.29 113.12 1v85 s HIS 9 Ca 0.53 -1.68 0.00 0.00 -0.80 0.00 0.00 55.06 53.11 1v85 s HIS 9 Cb -0.22 -3.72 0.00 0.00 -1.43 0.00 0.00 32.58 27.21 1v85 s HIS 9 CO 0.21 -1.00 0.00 0.41 -2.00 0.00 0.00 174.74 172.36 1v85 n GLY 10 N 4.71 -0.04 0.27 -1.38 0.00 -1.26 -4.94 105.19 102.54 1v85 n GLY 10 Ca -0.03 0.24 0.09 0.00 0.00 0.00 0.00 46.02 46.32 1v85 n GLY 10 CO 0.00 0.00 0.00 0.17 0.00 0.00 0.00 173.32 173.49 1v85 h LEU 11 N 0.00 0.00 -0.68 0.99 -0.00 -2.00 -2.60 115.31 111.02 1v85 h LEU 11 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.95 1v85 h LEU 11 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 40.66 40.56 1v85 h LEU 11 CO 0.00 0.00 -0.57 -0.07 -0.00 0.00 0.00 178.44 177.80 1v85 h LEU 12 N 0.00 -1.99 -1.11 0.17 3.38 -1.87 0.36 115.31 114.26 1v85 h LEU 12 Ca 0.00 0.28 0.03 0.00 0.09 0.00 0.00 57.88 58.28 1v85 h LEU 12 Cb 0.89 0.85 -0.05 0.00 0.09 0.00 0.00 40.66 42.44 1v85 h LEU 12 CO 0.00 -0.33 0.61 -0.37 0.09 0.00 0.00 178.44 178.44 1v85 h VAL 13 N -0.22 1.19 0.20 1.22 -1.51 -1.73 -3.18 116.25 112.21 1v85 h VAL 13 Ca 0.12 -0.41 -0.01 0.00 -1.23 0.00 0.00 66.70 65.17 1v85 h VAL 13 Cb 0.52 -0.11 0.00 0.00 -2.13 0.00 0.00 31.29 29.57 1v85 h VAL 13 CO -0.75 0.22 -0.09 -0.74 -1.23 0.00 0.00 177.57 174.97 1v85 h HIS 14 N 1.19 -0.24 -2.60 5.19 -0.00 -0.80 -3.42 115.15 114.46 1v85 h HIS 14 Ca 0.35 -0.01 -0.55 0.00 -0.00 0.00 0.00 60.37 60.17 1v85 h HIS 14 Cb -0.04 0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.44 1v85 h HIS 14 CO -0.00 -0.15 1.10 0.21 -0.00 0.00 0.00 177.93 179.08 1v85 s LYS 15 N -3.55 4.17 0.47 5.26 2.20 0.94 -4.93 119.74 124.30 1v85 s LYS 15 Ca -0.04 2.20 -0.20 0.00 -0.36 0.00 0.00 55.97 57.57 1v85 s LYS 15 Cb 0.00 -4.00 -0.14 0.00 -1.51 0.00 0.00 37.83 32.19 1v85 s LYS 15 CO 0.12 -0.86 0.14 0.00 -0.36 0.00 0.00 175.35 174.38 1v85 n ALA 16 N 7.19 -2.52 0.09 3.13 0.00 -1.26 -4.79 120.51 122.35 1v85 n ALA 16 Ca 0.17 0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.60 1v85 n ALA 16 Cb 0.43 -1.55 0.09 0.00 0.00 0.00 0.00 19.45 18.42 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 0.26 1.43 0.00 0.00 2.07 -1.85 -2.84 116.25 115.31 1v85 h VAL 17 Ca -0.40 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 64.93 1v85 h VAL 17 Cb 1.43 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 33.36 1v85 h VAL 17 CO 0.46 0.64 0.00 -0.90 0.02 0.00 0.00 177.57 177.79 1v85 n ASP 18 N -3.80 0.00 -0.36 0.57 5.75 -1.26 -1.06 116.55 116.39 1v85 n ASP 18 Ca -0.02 -0.03 0.04 0.00 -0.01 0.00 0.00 54.79 54.76 1v85 n ASP 18 Cb 0.67 -0.18 0.04 0.00 -1.03 0.00 0.00 41.12 40.62 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 -1.18 0.45 -1.19 0.11 4.01 -1.07 -3.52 118.16 115.76 1v85 n LYS 19 Ca 0.06 -1.10 -0.30 0.00 -0.51 0.00 0.00 58.31 56.46 1v85 n LYS 19 Cb 0.06 -1.17 0.13 0.00 -0.51 0.00 0.00 35.03 33.55 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 -0.75 2.32 0.24 2.13 0.52 -0.22 -4.94 118.94 118.24 1v85 s TRP 20 Ca 0.11 1.29 0.10 0.00 0.02 0.00 0.00 56.10 57.63 1v85 s TRP 20 Cb 0.07 -3.15 -0.05 0.00 -1.15 0.00 0.00 33.47 29.20 1v85 s TRP 20 CO 0.11 -2.36 -0.12 0.95 0.02 0.00 0.00 176.95 175.55 1v85 s THR 21 N -2.92 2.92 0.55 2.01 -4.23 -1.26 -2.86 115.64 109.86 1v85 s THR 21 Ca 0.63 -2.04 0.33 0.00 -1.18 0.00 0.00 61.69 59.43 1v85 s THR 21 Cb -0.18 -2.51 0.48 0.00 1.34 0.00 0.00 72.50 71.63 1v85 s THR 21 CO 0.57 -0.29 1.31 0.41 -0.54 0.00 0.00 174.62 176.07 1v85 n THR 22 N -0.45 0.00 -0.02 3.99 -1.04 -1.26 -0.29 114.28 115.21 1v85 n THR 22 Ca -0.08 1.26 -0.00 0.00 -2.04 0.00 0.00 64.05 63.19 1v85 n THR 22 Cb 0.58 -2.20 -0.00 0.00 -1.82 0.00 0.00 70.33 66.89 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 -0.03 -0.98 -2.82 4.81 -1.93 -3.22 114.58 110.40 1v85 h GLU 23 Ca 0.61 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.98 1v85 h GLU 23 Cb 3.05 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 32.35 1v85 h GLU 23 CO -0.01 -0.02 0.62 0.93 -0.73 0.00 0.00 179.01 179.80 1v85 h GLU 24 N -0.72 0.88 -0.42 1.92 4.39 -1.10 -0.50 114.58 119.03 1v85 h GLU 24 Ca -0.00 -0.05 0.07 0.00 0.34 0.00 0.00 59.36 59.72 1v85 h GLU 24 Cb 0.02 -0.20 -0.06 0.00 -0.10 0.00 0.00 28.75 28.41 1v85 h GLU 24 CO 0.00 0.58 0.03 0.28 -1.16 0.00 0.00 179.01 178.75 1v85 h VAL 25 N 0.91 0.71 -0.04 3.13 2.07 -0.80 0.58 116.25 122.82 1v85 h VAL 25 Ca 0.50 -0.05 -0.14 0.00 0.82 0.00 0.00 66.70 67.82 1v85 h VAL 25 Cb 0.59 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1v85 h VAL 25 CO -0.27 0.03 -0.63 0.58 0.02 0.00 0.00 177.57 177.30 1v85 h VAL 26 N 0.14 1.42 0.27 2.57 2.07 -1.31 -2.96 116.25 118.45 1v85 h VAL 26 Ca 0.21 -2.08 -0.01 0.00 0.82 0.00 0.00 66.70 65.63 1v85 h VAL 26 Cb 0.28 2.09 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1v85 h VAL 26 CO -0.32 0.61 -0.13 -0.07 0.02 0.00 0.00 177.57 177.68 1v85 h LEU 27 N 0.10 -0.31 -1.04 2.57 3.38 -0.07 0.23 115.31 120.18 1v85 h LEU 27 Ca -0.01 -0.11 0.07 0.00 0.09 0.00 0.00 57.88 57.92 1v85 h LEU 27 Cb 1.13 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.90 1v85 h LEU 27 CO 0.09 -0.07 0.64 -0.25 0.09 0.00 0.00 178.44 178.94 1v85 h TRP 28 N -0.55 1.17 0.00 1.13 7.01 -0.98 -0.57 115.95 123.16 1v85 h TRP 28 Ca -0.04 0.03 -0.08 0.00 2.11 0.00 0.00 58.89 60.92 1v85 h TRP 28 Cb 0.40 -0.38 -0.01 0.00 -2.10 0.00 0.00 29.16 27.07 1v85 h TRP 28 CO -0.01 0.60 -0.37 1.25 -2.79 0.00 0.00 178.44 177.12 1v85 h LEU 29 N 1.14 0.00 -0.23 0.65 5.85 -1.38 -2.94 115.31 118.40 1v85 h LEU 29 Ca 0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.15 1v85 h LEU 29 Cb 0.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1v85 h LEU 29 CO -0.17 0.37 0.00 -0.62 -0.34 0.00 0.00 178.44 177.67 1v85 n GLU 30 N -3.36 0.99 -0.02 1.25 1.02 0.81 -3.08 120.64 118.25 1v85 n GLU 30 Ca 0.01 0.00 -0.01 0.00 -0.02 0.00 0.00 57.16 57.14 1v85 n GLU 30 Cb 0.57 -1.11 -0.03 0.00 -0.02 0.00 0.00 31.44 30.85 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 -0.38 2.89 0.27 3.49 6.02 -1.11 -4.60 117.38 123.95 1v85 n GLN 31 Ca 0.00 -0.01 0.11 0.00 -0.01 0.00 0.00 57.00 57.09 1v85 n GLN 31 Cb 0.06 -1.10 0.74 0.00 1.02 0.00 0.00 30.24 30.96 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 -1.61 -3.46 115.31 114.70 1v85 h LEU 32 Ca -0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1v85 h LEU 32 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1v85 h LEU 32 CO 0.00 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1v85 n GLY 33 N -1.28 0.66 0.21 0.83 0.00 -1.26 -5.01 105.19 99.34 1v85 n GLY 33 Ca -0.03 -0.77 0.08 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 -1.89 -2.72 132.00 129.13 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 0.27 0.00 0.11 -0.23 0.00 0.00 178.00 178.15 1v85 h TRP 35 N 0.00 0.00 -0.96 1.56 5.08 -1.95 -2.85 115.95 116.83 1v85 h TRP 35 Ca -0.00 0.00 0.14 0.00 1.08 0.00 0.00 58.89 60.11 1v85 h TRP 35 Cb 0.70 0.00 -0.08 0.00 -3.00 0.00 0.00 29.16 26.78 1v85 h TRP 35 CO 0.00 0.00 0.61 0.00 -1.28 0.00 0.00 178.44 177.77 1v85 h ALA 36 N 2.08 1.68 0.00 0.11 0.00 -1.74 0.36 119.26 121.75 1v85 h ALA 36 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1v85 h ALA 36 Cb 0.27 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1v85 h ALA 36 CO 0.00 0.05 0.00 0.45 0.00 0.00 0.00 179.25 179.75 1v85 n SER 37 N -4.61 0.00 0.03 0.00 2.88 -1.08 -0.51 113.62 110.34 1v85 n SER 37 Ca 0.19 0.50 0.12 0.00 -1.33 0.00 0.00 58.87 58.35 1v85 n SER 37 Cb 0.44 -0.50 0.22 0.00 -0.75 0.00 0.00 64.21 63.62 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 -1.50 0.58 -0.01 2.46 4.77 0.13 -4.14 117.00 119.29 1v85 n LEU 38 Ca 0.01 0.13 -0.00 0.00 -0.03 0.00 0.00 56.01 56.12 1v85 n LEU 38 Cb 0.04 -0.22 -0.02 0.00 -2.33 0.00 0.00 43.42 40.89 1v85 n LEU 38 CO 0.03 0.03 -0.56 -1.22 -1.33 0.00 0.00 177.39 174.34 1v85 n TYR 39 N -1.82 0.00 -0.34 -1.77 4.02 0.33 -4.70 117.16 112.87 1v85 n TYR 39 Ca 0.04 0.00 0.17 0.00 -0.01 0.00 0.00 57.90 58.10 1v85 n TYR 39 Cb 0.39 -0.09 0.33 0.00 -0.02 0.00 0.00 39.34 39.95 1v85 n TYR 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 176.86 175.92 1v85 h ARG 40 N 0.00 0.01 -0.76 -0.72 0.11 -0.95 0.90 114.38 112.97 1v85 h ARG 40 Ca -0.04 -0.00 0.15 0.00 0.10 0.00 0.00 59.98 60.19 1v85 h ARG 40 Cb 0.70 -0.00 -0.10 0.00 1.11 0.00 0.00 29.97 31.68 1v85 h ARG 40 CO 0.00 0.00 0.29 -0.44 0.10 0.00 0.00 179.97 179.93 1v85 h ASP 41 N 0.01 0.26 0.42 0.08 5.19 -1.84 0.27 116.42 120.80 1v85 h ASP 41 Ca 0.64 0.11 -0.08 0.00 -0.62 0.00 0.00 57.03 57.08 1v85 h ASP 41 Cb 1.38 0.10 -0.01 0.00 0.18 0.00 0.00 39.33 40.98 1v85 h ASP 41 CO -0.91 0.09 -0.37 0.03 -3.12 0.00 0.00 179.24 174.96 1v85 h ARG 42 N 0.42 0.00 -0.02 3.56 3.08 0.50 -0.68 114.38 121.25 1v85 h ARG 42 Ca 0.42 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.45 1v85 h ARG 42 Cb 0.65 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.70 1v85 h ARG 42 CO -0.42 0.37 -0.06 0.74 -1.07 0.00 0.00 179.97 179.53 1v85 h PHE 43 N 0.00 0.09 0.31 3.04 -1.00 0.04 -2.39 116.94 117.03 1v85 h PHE 43 Ca -0.00 -0.04 -0.02 0.00 2.81 0.00 0.00 57.97 60.72 1v85 h PHE 43 Cb 0.67 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.22 1v85 h PHE 43 CO 0.00 0.70 -0.15 -0.07 -1.61 0.00 0.00 178.31 177.18 1v85 h LEU 44 N -0.55 -0.35 -0.51 1.54 -0.00 -0.81 0.57 115.31 115.20 1v85 h LEU 44 Ca -0.00 -0.16 0.10 0.00 -0.00 0.00 0.00 57.88 57.82 1v85 h LEU 44 Cb 0.70 0.09 -0.09 0.00 -0.00 0.00 0.00 40.66 41.37 1v85 h LEU 44 CO 0.01 -0.01 -0.01 -1.28 -0.00 0.00 0.00 178.44 177.15 1v85 h SER 45 N -0.72 -0.23 -0.04 -0.43 0.87 -1.25 0.52 113.55 112.27 1v85 h SER 45 Ca -0.04 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1v85 h SER 45 Cb 0.49 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.67 1v85 h SER 45 CO 0.07 -0.08 0.00 -0.62 -0.53 0.00 0.00 176.83 175.67 1v85 n GLU 46 N -5.24 1.09 -3.28 2.24 -0.58 -0.90 -4.86 120.64 109.12 1v85 n GLU 46 Ca 0.06 -0.14 -0.19 0.00 -0.42 0.00 0.00 57.16 56.47 1v85 n GLU 46 Cb 0.28 -1.05 -0.02 0.00 -0.57 0.00 0.00 31.44 30.08 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 -0.38 -2.56 -1.54 3.49 5.12 0.18 -4.73 116.66 116.25 1v85 n ARG 47 Ca 0.01 0.26 -0.38 0.00 -1.93 0.00 0.00 57.85 55.81 1v85 n ARG 47 Cb 0.04 -4.86 -0.05 0.00 -1.16 0.00 0.00 32.46 26.43 1v85 n ARG 47 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1v85 n VAL 48 N -3.46 -0.02 -3.26 1.55 0.31 0.19 -4.81 118.33 108.82 1v85 n VAL 48 Ca 0.01 -0.61 -0.25 0.00 -0.01 0.00 0.00 64.34 63.48 1v85 n VAL 48 Cb 0.51 -2.31 -0.01 0.00 -0.91 0.00 0.00 33.84 31.12 1v85 n VAL 48 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1v85 s ASN 49 N 11.10 6.32 0.08 4.52 2.20 -1.26 -4.36 114.94 133.54 1v85 s ASN 49 Ca 1.06 0.57 -0.16 0.00 -0.94 0.00 0.00 52.86 53.39 1v85 s ASN 49 Cb -0.42 -2.08 -0.04 0.00 -2.00 0.00 0.00 41.25 36.71 1v85 s ASN 49 CO 0.32 -0.32 1.10 0.61 -2.94 0.00 0.00 177.10 175.87 1v85 n GLY 50 N -1.70 -2.31 0.31 0.45 0.00 -1.13 0.58 105.19 101.38 1v85 n GLY 50 Ca -0.03 0.79 0.12 0.00 0.00 0.00 0.00 46.02 46.89 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 -0.06 1.61 1.12 -1.63 0.13 114.38 115.67 1v85 h ARG 51 Ca 0.08 -0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 58.94 1v85 h ARG 51 Cb 0.21 -0.03 -0.00 0.00 -0.01 0.00 0.00 29.97 30.14 1v85 h ARG 51 CO -0.48 0.08 0.01 1.25 -3.11 0.00 0.00 179.97 177.72 1v85 h LEU 52 N 0.12 0.09 -1.13 3.80 7.12 -0.22 -2.17 115.31 122.91 1v85 h LEU 52 Ca 0.53 -0.24 0.18 0.00 0.13 0.00 0.00 57.88 58.49 1v85 h LEU 52 Cb 1.06 -0.02 -0.09 0.00 -0.53 0.00 0.00 40.66 41.08 1v85 h LEU 52 CO -0.73 0.31 0.61 0.25 -0.13 0.00 0.00 178.44 178.74 1v85 h LEU 53 N -0.13 0.71 0.28 2.25 6.46 0.19 -1.64 115.31 123.44 1v85 h LEU 53 Ca 0.02 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 57.84 1v85 h LEU 53 Cb 0.25 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1v85 h LEU 53 CO 0.00 0.28 -0.13 -0.07 -0.62 0.00 0.00 178.44 177.90 1v85 h LEU 54 N 0.71 -0.32 -1.97 2.25 3.38 -0.92 -3.02 115.31 115.42 1v85 h LEU 54 Ca 0.54 -0.20 0.28 0.00 0.09 0.00 0.00 57.88 58.59 1v85 h LEU 54 Cb 0.91 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.70 1v85 h LEU 54 CO -0.31 0.07 0.71 0.71 0.09 0.00 0.00 178.44 179.70 1v85 h THR 55 N -0.76 0.51 -3.11 0.22 1.35 -0.72 -3.40 112.91 107.00 1v85 h THR 55 Ca -0.04 -0.01 -0.53 0.00 -0.55 0.00 0.00 66.41 65.29 1v85 h THR 55 Cb 0.50 0.49 0.06 0.00 -1.73 0.00 0.00 68.15 67.47 1v85 h THR 55 CO 0.06 0.00 0.86 -0.76 -0.25 0.00 0.00 175.52 175.44 1v85 s LEU 56 N -8.53 4.37 0.39 3.87 1.43 -0.68 -5.01 118.68 114.51 1v85 s LEU 56 Ca -0.05 2.75 0.08 0.00 -1.03 0.00 0.00 54.13 55.88 1v85 s LEU 56 Cb 0.22 -3.61 -0.06 0.00 0.03 0.00 0.00 46.19 42.76 1v85 s LEU 56 CO 0.78 -0.83 0.07 0.42 0.23 0.00 0.00 176.35 177.02 1v85 s THR 57 N 0.49 2.30 0.62 5.49 -4.23 -1.26 -4.94 115.64 114.11 1v85 s THR 57 Ca 0.66 -1.89 0.18 0.00 -1.18 0.00 0.00 61.69 59.45 1v85 s THR 57 Cb -0.45 -2.92 0.18 0.00 1.34 0.00 0.00 72.50 70.64 1v85 s THR 57 CO 0.39 -0.07 1.53 -0.08 -0.54 0.00 0.00 174.62 175.86 1v85 h GLU 58 N 1.67 0.00 0.00 3.99 4.81 -1.96 -0.03 114.58 123.06 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 1.25 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1v85 h GLU 58 CO 0.73 0.00 -0.36 1.49 -0.73 0.00 0.00 179.01 180.13 1v85 h GLU 59 N 0.00 0.00 -0.71 1.92 4.81 -1.99 -3.33 114.58 115.28 1v85 h GLU 59 Ca 0.00 0.00 0.21 0.00 -0.13 0.00 0.00 59.36 59.44 1v85 h GLU 59 Cb 1.16 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.51 1v85 h GLU 59 CO 0.00 0.00 0.56 0.93 -0.73 0.00 0.00 179.01 179.77 1v85 h GLU 60 N -0.92 0.00 0.00 1.92 4.39 -1.66 0.59 114.58 118.90 1v85 h GLU 60 Ca 0.00 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.63 1v85 h GLU 60 Cb 0.36 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 1v85 h GLU 60 CO 0.00 0.00 -0.34 0.74 -1.16 0.00 0.00 179.01 178.25 1v85 h PHE 61 N 0.00 0.00 -0.09 4.33 0.04 -1.21 -2.22 116.94 117.79 1v85 h PHE 61 Ca 0.34 0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.11 1v85 h PHE 61 Cb 1.46 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.61 1v85 h PHE 61 CO 0.00 0.34 0.00 0.45 -0.60 0.00 0.00 178.31 178.50 1v85 n SER 62 N -3.73 1.31 -4.87 2.17 2.88 0.20 -1.21 113.62 110.37 1v85 n SER 62 Ca -0.01 -1.56 -0.32 0.00 -1.33 0.00 0.00 58.87 55.64 1v85 n SER 62 Cb 0.43 -0.05 -0.05 0.00 -0.75 0.00 0.00 64.21 63.79 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 -1.89 3.31 0.76 -1.46 1.81 -0.84 -4.13 118.95 116.51 1v85 s ARG 63 Ca 0.35 -0.41 -0.14 0.00 -1.72 0.00 0.00 55.73 53.80 1v85 s ARG 63 Cb 0.18 -3.00 0.06 0.00 -0.45 0.00 0.00 34.95 31.74 1v85 s ARG 63 CO 0.29 0.65 1.21 0.00 -0.68 0.00 0.00 175.30 176.77 1v85 s ALA 64 N -1.34 1.99 0.30 2.13 0.00 -1.26 0.11 121.76 123.69 1v85 s ALA 64 Ca 0.28 0.89 0.09 0.00 0.00 0.00 0.00 51.96 53.22 1v85 s ALA 64 Cb -0.13 -3.49 0.48 0.00 0.00 0.00 0.00 23.12 19.99 1v85 s ALA 64 CO 0.20 -2.07 1.70 -1.00 0.00 0.00 0.00 175.76 174.58 1v85 h PRO 65 N -0.54 0.10 -0.98 0.00 0.13 -1.97 -3.42 132.00 125.31 1v85 h PRO 65 Ca -0.47 -0.05 0.26 0.00 -0.87 0.00 0.00 66.00 64.86 1v85 h PRO 65 Cb 1.30 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.25 1v85 h PRO 65 CO 0.48 0.56 -0.03 0.66 -0.23 0.00 0.00 178.00 179.44 1v85 n TYR 66 N -3.97 0.57 -2.67 1.56 4.01 -0.98 -4.67 117.16 111.01 1v85 n TYR 66 Ca -0.02 1.19 -0.14 0.00 -0.16 0.00 0.00 57.90 58.77 1v85 n TYR 66 Cb 0.51 -1.20 -0.03 0.00 -0.31 0.00 0.00 39.34 38.31 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 -5.49 0.00 -1.47 -0.72 5.66 0.12 -4.57 114.28 107.80 1v85 n THR 67 Ca 0.22 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 61.07 1v85 n THR 67 Cb 0.70 -0.16 -0.12 0.00 -1.55 0.00 0.00 70.33 69.19 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 -2.26 0.00 0.15 1.09 5.41 -0.35 -4.66 119.36 118.74 1v85 n ILE 68 Ca 0.04 -0.43 0.03 0.00 1.00 0.00 0.00 62.75 63.39 1v85 n ILE 68 Cb 0.32 -1.03 0.08 0.00 -0.71 0.00 0.00 39.64 38.30 1v85 n ILE 68 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1v85 h GLU 69 N 11.47 0.00 -5.35 0.38 5.08 -1.87 -3.40 114.58 120.89 1v85 h GLU 69 Ca 0.01 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.72 1v85 h GLU 69 Cb 1.05 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.14 1v85 h GLU 69 CO 1.22 0.47 0.90 1.21 -1.00 0.00 0.00 179.01 181.81 1v85 s ASN 70 N -6.44 6.49 0.30 1.42 2.47 -1.26 -4.88 114.94 113.04 1v85 s ASN 70 Ca 0.03 -1.66 0.06 0.00 0.42 0.00 0.00 52.86 51.72 1v85 s ASN 70 Cb 0.08 -2.44 0.84 0.00 -1.45 0.00 0.00 41.25 38.28 1v85 s ASN 70 CO 0.73 -1.25 1.45 -0.24 -3.72 0.00 0.00 177.10 174.08 1v85 n SER 71 N 7.31 0.00 -0.26 -4.21 2.88 -1.26 -0.05 113.62 118.02 1v85 n SER 71 Ca 0.19 1.56 0.08 0.00 -1.33 0.00 0.00 58.87 59.37 1v85 n SER 71 Cb 0.49 -0.62 0.16 0.00 -0.75 0.00 0.00 64.21 63.49 1v85 n SER 71 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1v85 n SER 72 N -5.30 -0.18 0.24 -3.46 2.88 -1.26 0.56 113.62 107.11 1v85 n SER 72 Ca 0.25 1.28 -0.16 0.00 -1.33 0.00 0.00 58.87 58.91 1v85 n SER 72 Cb 0.83 -0.43 -0.08 0.00 -0.75 0.00 0.00 64.21 63.79 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 -1.09 -0.51 0.66 6.17 -0.88 -1.41 115.15 118.09 1v85 h HIS 73 Ca 0.41 0.01 0.10 0.00 0.71 0.00 0.00 60.37 61.59 1v85 h HIS 73 Cb 0.74 0.43 -0.08 0.00 2.52 0.00 0.00 27.41 31.02 1v85 h HIS 73 CO -0.48 -0.55 0.02 0.00 0.71 0.00 0.00 177.93 177.63 1v85 h ARG 74 N -0.81 0.13 -0.64 5.26 3.08 0.00 0.18 114.38 121.60 1v85 h ARG 74 Ca -0.03 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.11 1v85 h ARG 74 Cb 0.73 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.67 1v85 h ARG 74 CO -0.07 0.09 0.24 -0.09 -1.07 0.00 0.00 179.97 179.07 1v85 h ARG 75 N 0.14 0.41 0.55 0.04 1.12 -0.82 0.14 114.38 115.95 1v85 h ARG 75 Ca 0.26 -0.02 -0.03 0.00 -1.11 0.00 0.00 59.98 59.08 1v85 h ARG 75 Cb 0.38 -0.09 0.01 0.00 -0.01 0.00 0.00 29.97 30.26 1v85 h ARG 75 CO -0.41 0.27 -0.26 0.28 -3.11 0.00 0.00 179.97 176.74 1v85 h VAL 76 N 0.42 0.05 -0.05 0.20 2.07 -0.11 -2.11 116.25 116.72 1v85 h VAL 76 Ca 0.33 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.40 1v85 h VAL 76 Cb 0.42 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.23 1v85 h VAL 76 CO -0.32 0.01 -0.31 0.40 0.02 0.00 0.00 177.57 177.37 1v85 h ILE 77 N -1.18 0.00 0.00 4.57 2.04 -0.53 0.02 117.51 122.43 1v85 h ILE 77 Ca -0.08 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.78 1v85 h ILE 77 Cb 0.58 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.66 1v85 h ILE 77 CO 0.12 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.45 1v85 n LEU 78 N -4.17 0.00 -0.27 1.44 4.32 0.48 0.23 117.00 119.02 1v85 n LEU 78 Ca -0.04 0.95 -0.07 0.00 -0.02 0.00 0.00 56.01 56.84 1v85 n LEU 78 Cb 0.22 -0.45 -0.06 0.00 -1.62 0.00 0.00 43.42 41.50 1v85 n LEU 78 CO 0.05 -0.45 0.39 0.41 -1.22 0.00 0.00 177.39 176.57 1v85 n THR 79 N -2.36 -0.44 -0.30 -5.08 -1.04 -0.79 0.16 114.28 104.42 1v85 n THR 79 Ca 0.00 1.80 0.09 0.00 -2.04 0.00 0.00 64.05 63.90 1v85 n THR 79 Cb 0.00 -2.25 0.30 0.00 -1.82 0.00 0.00 70.33 66.57 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 0.84 -0.62 -2.82 4.39 -0.79 -1.13 114.58 114.44 1v85 h GLU 80 Ca 0.10 -0.05 -0.05 0.00 0.34 0.00 0.00 59.36 59.70 1v85 h GLU 80 Cb 0.26 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1v85 h GLU 80 CO -0.60 0.55 0.18 1.25 -1.16 0.00 0.00 179.01 179.23 1v85 h LEU 81 N 0.86 0.91 -1.91 1.33 5.85 0.59 -2.06 115.31 120.88 1v85 h LEU 81 Ca 0.45 -0.21 0.09 0.00 0.84 0.00 0.00 57.88 59.05 1v85 h LEU 81 Cb 0.53 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1v85 h LEU 81 CO -0.21 0.88 0.26 -0.08 -0.34 0.00 0.00 178.44 178.95 1v85 h GLU 82 N 0.89 0.10 0.04 1.25 4.57 0.99 -1.17 114.58 121.24 1v85 h GLU 82 Ca 0.20 -0.01 -0.00 0.00 -1.18 0.00 0.00 59.36 58.37 1v85 h GLU 82 Cb 0.31 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1v85 h GLU 82 CO -0.00 0.06 -0.02 0.00 -1.18 0.00 0.00 179.01 177.87 1v85 h ARG 83 N 0.10 -0.05 -0.92 1.92 3.08 -1.22 -2.74 114.38 114.56 1v85 h ARG 83 Ca 0.17 0.00 0.26 0.00 0.07 0.00 0.00 59.98 60.49 1v85 h ARG 83 Cb 0.56 0.01 -0.16 0.00 0.08 0.00 0.00 29.97 30.47 1v85 h ARG 83 CO -0.02 -0.03 0.18 -0.39 -1.07 0.00 0.00 179.97 178.64 1v85 h VAL 84 N -0.52 0.19 -0.38 2.04 -1.51 -1.31 0.86 116.25 115.62 1v85 h VAL 84 Ca -0.00 -0.04 -0.09 0.00 -1.23 0.00 0.00 66.70 65.33 1v85 h VAL 84 Cb 0.04 0.06 -0.02 0.00 -2.13 0.00 0.00 31.29 29.24 1v85 h VAL 84 CO 0.01 0.02 -0.14 0.08 -1.23 0.00 0.00 177.57 176.31 1v85 h ARG 85 N 0.11 0.69 0.68 5.19 0.11 -1.35 -3.26 114.38 116.55 1v85 h ARG 85 Ca 0.59 -0.23 -0.03 0.00 0.10 0.00 0.00 59.98 60.40 1v85 h ARG 85 Cb 1.24 -0.06 0.01 0.00 1.11 0.00 0.00 29.97 32.27 1v85 h ARG 85 CO -0.76 0.80 -0.33 1.03 0.10 0.00 0.00 179.97 180.82 1v85 h SER 86 N 0.62 -0.77 -5.00 0.08 0.87 0.99 -3.47 113.55 106.87 1v85 h SER 86 Ca 0.10 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.69 1v85 h SER 86 Cb 0.59 0.20 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1v85 h SER 86 CO 0.04 -0.43 0.00 0.61 -0.53 0.00 0.00 176.83 176.52 1v85 n GLY 87 N -0.71 -1.36 0.00 5.77 0.00 -0.15 -4.61 105.19 104.13 1v85 n GLY 87 Ca -0.11 -2.22 0.06 0.00 0.00 0.00 0.00 46.02 43.75 1v85 n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1v85 n PRO 88 N -0.39 0.49 -1.46 1.61 -0.04 -1.26 -4.86 135.00 129.08 1v85 n PRO 88 Ca 0.00 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1v85 n PRO 88 Cb 0.00 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.05 1v85 n PRO 88 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1v85 n SER 89 N -0.91 -0.72 -4.77 3.54 2.88 -1.26 -4.96 113.62 107.41 1v85 n SER 89 Ca 0.10 0.95 -0.33 0.00 -1.33 0.00 0.00 58.87 58.25 1v85 n SER 89 Cb 0.04 -1.12 -0.07 0.00 -0.75 0.00 0.00 64.21 62.31 1v85 n SER 89 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1v85 s SER 90 N -0.92 5.64 0.00 -3.46 1.04 -1.26 -5.17 113.70 109.57 1v85 s SER 90 Ca 0.63 0.16 0.00 0.00 0.48 0.00 0.00 55.95 57.22 1v85 s SER 90 Cb -0.63 -1.63 0.00 0.00 0.10 0.00 0.00 66.02 63.86 1v85 s SER 90 CO 0.58 0.30 0.00 0.61 0.98 0.00 0.00 173.24 175.71