#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 -1.42 -3.79 1.61 7.64 -1.26 -4.96 113.62 111.43 1v85 n SER 2 Ca 0.00 -0.97 -0.19 0.00 1.01 0.00 0.00 58.87 58.71 1v85 n SER 2 Cb 0.00 -3.13 -0.17 0.00 -1.01 0.00 0.00 64.21 59.90 1v85 n SER 2 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1v85 s SER 3 N -4.04 0.85 -0.00 6.43 0.01 -1.26 -5.03 113.70 110.65 1v85 s SER 3 Ca 0.22 -0.03 -0.05 0.00 1.31 0.00 0.00 55.95 57.40 1v85 s SER 3 Cb -0.12 -0.28 -0.21 0.00 0.21 0.00 0.00 66.02 65.62 1v85 s SER 3 CO 0.89 -0.14 3.25 0.61 0.41 0.00 0.00 173.24 178.26 1v85 n GLY 4 N 4.52 2.89 3.37 3.44 0.00 -1.26 -4.69 105.19 113.46 1v85 n GLY 4 Ca -0.19 -0.93 -0.45 0.00 0.00 0.00 0.00 46.02 44.46 1v85 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1v85 s SER 5 N 1.99 6.19 -1.12 1.61 1.04 -1.26 -4.39 113.70 117.76 1v85 s SER 5 Ca 0.51 -1.43 0.00 0.00 0.48 0.00 0.00 55.95 55.51 1v85 s SER 5 Cb 0.25 -2.27 0.00 0.00 0.10 0.00 0.00 66.02 64.09 1v85 s SER 5 CO -0.00 -1.00 0.00 -1.20 0.98 0.00 0.00 173.24 172.02 1v85 n SER 6 N 6.00 -3.93 -4.18 7.02 7.64 -1.26 -4.91 113.62 120.00 1v85 n SER 6 Ca -0.10 0.20 -0.39 0.00 1.01 0.00 0.00 58.87 59.59 1v85 n SER 6 Cb 0.42 -3.37 -0.09 0.00 -1.01 0.00 0.00 64.21 60.16 1v85 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1v85 s GLY 7 N -2.04 2.07 0.38 0.23 0.00 -1.26 -5.07 107.32 101.63 1v85 s GLY 7 Ca 0.00 -2.61 0.08 0.00 0.00 0.00 0.00 44.72 42.19 1v85 s GLY 7 CO 0.00 1.09 0.04 -0.54 0.00 0.00 0.00 173.10 173.69 1v85 s GLU 8 N 1.16 2.05 -0.15 2.90 0.41 -1.26 -4.93 118.70 118.87 1v85 s GLU 8 Ca 0.08 -1.90 -0.01 0.00 -0.41 0.00 0.00 54.97 52.73 1v85 s GLU 8 Cb -0.24 -1.83 0.04 0.00 -1.78 0.00 0.00 34.13 30.32 1v85 s GLU 8 CO -0.02 0.01 -0.05 -3.38 -0.49 0.00 0.00 175.26 171.33 1v85 s HIS 9 N -2.61 1.62 0.00 1.61 -3.43 -1.26 -4.78 115.29 106.44 1v85 s HIS 9 Ca 0.36 -0.99 0.00 0.00 -0.80 0.00 0.00 55.06 53.63 1v85 s HIS 9 Cb 0.04 -1.28 0.00 0.00 -1.43 0.00 0.00 32.58 29.91 1v85 s HIS 9 CO 0.19 -0.59 0.00 0.41 -2.00 0.00 0.00 174.74 172.75 1v85 n GLY 10 N 4.90 2.07 0.00 -1.38 0.00 -1.26 -4.95 105.19 104.57 1v85 n GLY 10 Ca -0.12 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 45.87 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 0.32 0.99 -0.00 -1.26 -3.86 117.00 113.19 1v85 n LEU 11 Ca 0.00 0.21 -0.17 0.00 -0.00 0.00 0.00 56.01 56.04 1v85 n LEU 11 Cb 0.00 -0.21 -0.09 0.00 -0.00 0.00 0.00 43.42 43.12 1v85 n LEU 11 CO 0.00 -0.02 0.61 -0.07 -0.00 0.00 0.00 177.39 177.91 1v85 h LEU 12 N 0.00 -0.99 -1.23 1.47 3.38 -1.90 0.32 115.31 116.36 1v85 h LEU 12 Ca 0.00 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.10 1v85 h LEU 12 Cb 0.19 0.30 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 1v85 h LEU 12 CO 0.00 -0.59 0.55 -0.37 0.09 0.00 0.00 178.44 178.13 1v85 h VAL 13 N -0.92 1.03 0.43 1.22 -1.51 -1.82 -2.71 116.25 111.97 1v85 h VAL 13 Ca -0.07 -0.31 -0.02 0.00 -1.23 0.00 0.00 66.70 65.07 1v85 h VAL 13 Cb 0.76 0.04 0.00 0.00 -2.13 0.00 0.00 31.29 29.96 1v85 h VAL 13 CO 0.04 0.17 -0.21 -0.74 -1.23 0.00 0.00 177.57 175.61 1v85 h HIS 14 N 0.91 -0.53 -3.28 5.19 -0.00 -1.65 -3.42 115.15 112.37 1v85 h HIS 14 Ca 0.37 -0.01 -0.55 0.00 -0.00 0.00 0.00 60.37 60.17 1v85 h HIS 14 Cb 0.26 0.18 -0.03 0.00 -0.00 0.00 0.00 27.41 27.81 1v85 h HIS 14 CO -0.00 -0.26 0.54 0.21 -0.00 0.00 0.00 177.93 178.42 1v85 s LYS 15 N -5.48 4.44 0.32 5.26 2.20 0.07 -4.98 119.74 121.57 1v85 s LYS 15 Ca -0.15 1.42 -0.26 0.00 -0.36 0.00 0.00 55.97 56.61 1v85 s LYS 15 Cb 0.03 -3.53 -0.14 0.00 -1.51 0.00 0.00 37.83 32.69 1v85 s LYS 15 CO 0.59 -0.27 0.75 0.00 -0.36 0.00 0.00 175.35 176.06 1v85 n ALA 16 N 4.81 -1.16 0.12 3.13 0.00 -1.26 -4.79 120.51 121.36 1v85 n ALA 16 Ca 0.08 0.31 -0.00 0.00 0.00 0.00 0.00 53.44 53.83 1v85 n ALA 16 Cb 0.49 -1.86 0.27 0.00 0.00 0.00 0.00 19.45 18.35 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 1.36 1.29 0.00 0.00 2.07 -1.85 -2.26 116.25 116.87 1v85 h VAL 17 Ca -0.38 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 65.73 1v85 h VAL 17 Cb 1.38 1.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.81 1v85 h VAL 17 CO 0.57 0.42 0.00 -0.90 0.02 0.00 0.00 177.57 177.67 1v85 n ASP 18 N -4.06 0.00 -0.18 0.57 5.75 -1.26 -1.47 116.55 115.90 1v85 n ASP 18 Ca -0.01 -0.33 0.04 0.00 -0.01 0.00 0.00 54.79 54.47 1v85 n ASP 18 Cb 0.45 -0.07 -0.00 0.00 -1.03 0.00 0.00 41.12 40.47 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 -1.07 2.35 -0.84 0.11 4.01 -0.85 -3.93 118.16 117.95 1v85 n LYS 19 Ca 0.10 -0.51 -0.29 0.00 -0.51 0.00 0.00 58.31 57.10 1v85 n LYS 19 Cb 0.06 -1.02 0.20 0.00 -0.51 0.00 0.00 35.03 33.76 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 -1.25 1.76 0.25 2.13 0.52 -0.54 -4.95 118.94 116.85 1v85 s TRP 20 Ca 0.07 1.28 0.12 0.00 0.02 0.00 0.00 56.10 57.58 1v85 s TRP 20 Cb 0.07 -3.18 -0.05 0.00 -1.15 0.00 0.00 33.47 29.16 1v85 s TRP 20 CO 0.22 -3.16 -0.20 0.95 0.02 0.00 0.00 176.95 174.78 1v85 s THR 21 N -2.69 2.53 0.60 2.01 -4.23 -1.26 -3.46 115.64 109.14 1v85 s THR 21 Ca 0.66 -2.23 0.29 0.00 -1.18 0.00 0.00 61.69 59.23 1v85 s THR 21 Cb -0.22 -2.29 0.42 0.00 1.34 0.00 0.00 72.50 71.76 1v85 s THR 21 CO 0.60 -0.30 1.32 0.41 -0.54 0.00 0.00 174.62 176.11 1v85 n THR 22 N -0.33 0.00 -0.05 3.99 -1.04 -1.26 0.05 114.28 115.64 1v85 n THR 22 Ca -0.08 1.28 -0.03 0.00 -2.04 0.00 0.00 64.05 63.18 1v85 n THR 22 Cb 0.58 -2.27 -0.03 0.00 -1.82 0.00 0.00 70.33 66.80 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 -0.01 -0.97 -2.82 4.81 -1.94 -3.25 114.58 110.40 1v85 h GLU 23 Ca 0.54 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.80 1v85 h GLU 23 Cb 3.02 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 32.34 1v85 h GLU 23 CO -0.01 0.21 0.63 0.93 -0.73 0.00 0.00 179.01 180.04 1v85 h GLU 24 N -1.00 1.19 -0.51 1.92 4.39 -0.76 -1.60 114.58 118.21 1v85 h GLU 24 Ca -0.00 -0.07 0.10 0.00 0.34 0.00 0.00 59.36 59.73 1v85 h GLU 24 Cb 0.22 -0.27 -0.09 0.00 -0.10 0.00 0.00 28.75 28.52 1v85 h GLU 24 CO 0.00 0.79 -0.01 0.28 -1.16 0.00 0.00 179.01 178.92 1v85 h VAL 25 N 1.23 0.59 -0.09 3.13 2.07 -0.83 0.62 116.25 122.97 1v85 h VAL 25 Ca 0.38 -0.04 -0.14 0.00 0.82 0.00 0.00 66.70 67.73 1v85 h VAL 25 Cb -0.01 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1v85 h VAL 25 CO -0.12 0.02 -0.54 0.58 0.02 0.00 0.00 177.57 177.53 1v85 h VAL 26 N 0.11 1.36 0.35 2.57 2.07 -1.48 -2.92 116.25 118.30 1v85 h VAL 26 Ca 0.26 -1.84 -0.02 0.00 0.82 0.00 0.00 66.70 65.92 1v85 h VAL 26 Cb 0.40 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1v85 h VAL 26 CO -0.44 0.55 -0.17 -0.07 0.02 0.00 0.00 177.57 177.46 1v85 h LEU 27 N 0.20 -0.40 -0.97 2.57 3.38 -0.16 0.39 115.31 120.34 1v85 h LEU 27 Ca 0.00 -0.06 0.08 0.00 0.09 0.00 0.00 57.88 58.00 1v85 h LEU 27 Cb 1.02 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.81 1v85 h LEU 27 CO 0.09 -0.19 0.62 -0.25 0.09 0.00 0.00 178.44 178.79 1v85 h TRP 28 N -0.58 1.14 0.00 1.13 7.01 -0.98 -0.70 115.95 122.96 1v85 h TRP 28 Ca -0.05 0.03 -0.11 0.00 2.11 0.00 0.00 58.89 60.87 1v85 h TRP 28 Cb 0.43 -0.37 -0.02 0.00 -2.10 0.00 0.00 29.16 27.10 1v85 h TRP 28 CO -0.02 0.55 -0.53 1.25 -2.79 0.00 0.00 178.44 176.89 1v85 h LEU 29 N 1.08 0.00 0.00 0.65 5.85 -1.33 -2.89 115.31 118.67 1v85 h LEU 29 Ca 0.44 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.16 1v85 h LEU 29 Cb 0.26 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.29 1v85 h LEU 29 CO -0.20 0.53 0.00 -0.62 -0.34 0.00 0.00 178.44 177.81 1v85 n GLU 30 N -3.51 0.89 -0.03 1.25 1.02 0.14 -2.90 120.64 117.48 1v85 n GLU 30 Ca -0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 1v85 n GLU 30 Cb 0.63 -1.08 -0.07 0.00 -0.02 0.00 0.00 31.44 30.91 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 -0.58 2.15 0.28 3.49 6.02 -1.09 -4.53 117.38 123.12 1v85 n GLN 31 Ca 0.03 -0.02 0.14 0.00 -0.01 0.00 0.00 57.00 57.14 1v85 n GLN 31 Cb 0.02 -1.22 0.82 0.00 1.02 0.00 0.00 30.24 30.88 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 -0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1v85 h LEU 32 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1v85 h LEU 32 CO 0.01 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.21 1v85 n GLY 33 N -1.01 1.09 0.24 0.83 0.00 -1.26 -5.00 105.19 100.08 1v85 n GLY 33 Ca -0.02 -0.82 0.11 0.00 0.00 0.00 0.00 46.02 45.28 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 -2.64 132.00 129.20 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 0.19 0.00 0.11 -0.23 0.00 0.00 178.00 178.07 1v85 h TRP 35 N 0.00 0.00 -0.53 1.56 5.08 -1.95 -2.97 115.95 117.15 1v85 h TRP 35 Ca -0.00 0.00 0.13 0.00 1.08 0.00 0.00 58.89 60.10 1v85 h TRP 35 Cb 0.63 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.76 1v85 h TRP 35 CO 0.00 0.00 0.37 0.00 -1.28 0.00 0.00 178.44 177.53 1v85 h ALA 36 N 2.22 2.32 0.00 0.11 0.00 -1.72 0.34 119.26 122.52 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 0.37 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1v85 h ALA 36 CO 0.00 -0.46 0.00 0.45 0.00 0.00 0.00 179.25 179.24 1v85 n SER 37 N -4.42 0.00 0.02 0.00 2.88 -1.12 -0.91 113.62 110.07 1v85 n SER 37 Ca 0.09 0.47 0.13 0.00 -1.33 0.00 0.00 58.87 58.23 1v85 n SER 37 Cb 0.51 -0.49 0.38 0.00 -0.75 0.00 0.00 64.21 63.86 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 -1.49 0.40 0.00 2.46 4.77 0.12 -4.10 117.00 119.16 1v85 n LEU 38 Ca 0.03 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1v85 n LEU 38 Cb 0.13 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1v85 n LEU 38 CO 0.11 0.02 -0.50 -1.22 -1.33 0.00 0.00 177.39 174.47 1v85 n TYR 39 N -1.69 0.00 -0.30 -1.77 4.02 -0.61 -4.74 117.16 112.07 1v85 n TYR 39 Ca 0.06 0.00 0.12 0.00 -0.01 0.00 0.00 57.90 58.07 1v85 n TYR 39 Cb 0.37 0.00 0.24 0.00 -0.02 0.00 0.00 39.34 39.92 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 -2.07 -0.07 -0.28 -0.72 1.85 -0.09 0.13 116.66 115.41 1v85 n ARG 40 Ca 0.00 1.28 0.09 0.00 -1.00 0.00 0.00 57.85 58.22 1v85 n ARG 40 Cb 0.50 -2.02 0.21 0.00 -1.05 0.00 0.00 32.46 30.10 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 -0.26 -0.46 2.89 5.19 -1.85 0.35 116.42 122.28 1v85 h ASP 41 Ca 0.50 0.21 -0.12 0.00 -0.62 0.00 0.00 57.03 57.01 1v85 h ASP 41 Cb 1.02 0.34 -0.02 0.00 0.18 0.00 0.00 39.33 40.85 1v85 h ASP 41 CO -0.81 -0.19 -0.15 0.03 -3.12 0.00 0.00 179.24 174.99 1v85 h ARG 42 N 0.13 0.95 -0.73 3.56 3.08 0.71 -0.49 114.38 121.59 1v85 h ARG 42 Ca 0.48 -0.37 0.03 0.00 0.07 0.00 0.00 59.98 60.19 1v85 h ARG 42 Cb 0.91 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.86 1v85 h ARG 42 CO -0.70 1.03 0.46 0.74 -1.07 0.00 0.00 179.97 180.43 1v85 h PHE 43 N 0.84 0.87 0.15 3.04 -1.00 -0.01 0.19 116.94 121.01 1v85 h PHE 43 Ca 0.12 0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.92 1v85 h PHE 43 Cb 0.71 -0.29 0.00 0.00 3.61 0.00 0.00 35.95 39.98 1v85 h PHE 43 CO 0.04 0.51 -0.07 -0.07 -1.61 0.00 0.00 178.31 177.11 1v85 h LEU 44 N 0.91 -0.17 -0.69 1.54 -0.00 -0.94 0.39 115.31 116.35 1v85 h LEU 44 Ca 0.29 -0.34 0.12 0.00 -0.00 0.00 0.00 57.88 57.95 1v85 h LEU 44 Cb -0.01 0.04 -0.09 0.00 -0.00 0.00 0.00 40.66 40.61 1v85 h LEU 44 CO -0.10 0.40 0.26 -1.28 -0.00 0.00 0.00 178.44 177.72 1v85 h SER 45 N -0.91 0.23 -0.23 -0.43 0.87 -1.04 0.41 113.55 112.45 1v85 h SER 45 Ca -0.02 0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.64 1v85 h SER 45 Cb 0.50 0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.55 1v85 h SER 45 CO 0.03 0.11 0.00 -0.62 -0.53 0.00 0.00 176.83 175.82 1v85 n GLU 46 N -5.01 2.10 -3.71 2.24 -0.58 0.64 -4.88 120.64 111.44 1v85 n GLU 46 Ca 0.12 -1.06 -0.31 0.00 -0.42 0.00 0.00 57.16 55.49 1v85 n GLU 46 Cb 0.35 -1.56 -0.06 0.00 -0.57 0.00 0.00 31.44 29.61 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 0.24 -0.93 -1.79 3.49 5.12 0.14 -4.72 116.66 118.23 1v85 n ARG 47 Ca 0.10 0.10 -0.39 0.00 -1.93 0.00 0.00 57.85 55.72 1v85 n ARG 47 Cb 0.45 -3.65 -0.03 0.00 -1.16 0.00 0.00 32.46 28.07 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 -2.65 3.20 0.56 1.55 1.01 0.13 -4.84 120.40 119.36 1v85 s VAL 48 Ca 0.60 0.16 -0.04 0.00 0.00 0.00 0.00 61.98 62.70 1v85 s VAL 48 Cb -0.35 -3.40 0.01 0.00 0.00 0.00 0.00 36.38 32.65 1v85 s VAL 48 CO 0.73 -0.34 0.84 0.54 0.00 0.00 0.00 175.10 176.88 1v85 s ASN 49 N 9.15 5.58 0.23 3.32 2.20 -1.26 -4.45 114.94 129.70 1v85 s ASN 49 Ca 0.86 0.54 -0.08 0.00 -0.94 0.00 0.00 52.86 53.24 1v85 s ASN 49 Cb -0.20 -1.56 0.38 0.00 -2.00 0.00 0.00 41.25 37.87 1v85 s ASN 49 CO 0.28 -1.01 1.65 1.23 -2.94 0.00 0.00 177.10 176.31 1v85 h GLY 50 N -0.04 0.80 0.43 0.45 0.00 -1.72 0.19 103.07 103.17 1v85 h GLY 50 Ca -0.45 0.07 0.13 0.00 0.00 0.00 0.00 47.33 47.08 1v85 h GLY 50 CO 0.59 -0.24 0.63 -0.09 0.00 0.00 0.00 176.54 177.43 1v85 h ARG 51 N 0.14 0.93 -0.06 4.80 1.12 -1.68 -0.95 114.38 118.68 1v85 h ARG 51 Ca 0.38 -0.06 -0.22 0.00 -1.11 0.00 0.00 59.98 58.97 1v85 h ARG 51 Cb 0.64 -0.21 0.01 0.00 -0.01 0.00 0.00 29.97 30.39 1v85 h ARG 51 CO -0.58 0.62 -0.86 1.25 -3.11 0.00 0.00 179.97 177.28 1v85 h LEU 52 N 0.96 0.68 -1.26 3.80 5.85 -1.13 -3.13 115.31 121.08 1v85 h LEU 52 Ca 0.51 -0.50 0.02 0.00 0.84 0.00 0.00 57.88 58.75 1v85 h LEU 52 Cb 0.55 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 1v85 h LEU 52 CO -0.28 1.28 0.51 0.25 -0.34 0.00 0.00 178.44 179.86 1v85 h LEU 53 N 0.35 0.85 0.14 2.25 6.46 0.44 -2.31 115.31 123.48 1v85 h LEU 53 Ca -0.07 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.67 1v85 h LEU 53 Cb 1.48 -0.20 0.00 0.00 -0.73 0.00 0.00 40.66 41.21 1v85 h LEU 53 CO 0.16 0.60 -0.07 -0.07 -0.62 0.00 0.00 178.44 178.44 1v85 h LEU 54 N 0.99 -0.16 -0.51 2.25 3.38 -1.26 -3.16 115.31 116.85 1v85 h LEU 54 Ca 0.29 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 58.16 1v85 h LEU 54 Cb -0.04 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 40.67 1v85 h LEU 54 CO -0.07 0.12 -0.00 0.71 0.09 0.00 0.00 178.44 179.29 1v85 h THR 55 N -0.44 0.60 -1.68 0.22 1.35 -1.44 -3.42 112.91 108.10 1v85 h THR 55 Ca -0.02 -0.04 -0.65 0.00 -0.55 0.00 0.00 66.41 65.16 1v85 h THR 55 Cb 0.35 0.48 0.11 0.00 -1.73 0.00 0.00 68.15 67.35 1v85 h THR 55 CO 0.03 0.02 -0.18 0.18 -0.25 0.00 0.00 175.52 175.32 1v85 n LEU 56 N -5.24 0.26 0.00 3.87 4.77 -0.89 -4.98 117.00 114.79 1v85 n LEU 56 Ca 0.06 1.15 -0.29 0.00 -0.03 0.00 0.00 56.01 56.89 1v85 n LEU 56 Cb 0.27 -1.11 -0.07 0.00 -2.33 0.00 0.00 43.42 40.19 1v85 n LEU 56 CO 0.15 -2.17 -0.21 0.35 -1.33 0.00 0.00 177.39 174.18 1v85 n THR 57 N 0.25 0.00 0.27 -5.08 -2.24 -1.26 -4.99 114.28 101.23 1v85 n THR 57 Ca 0.14 -2.29 0.15 0.00 -2.27 0.00 0.00 64.05 59.78 1v85 n THR 57 Cb 0.27 0.55 0.80 0.00 -2.10 0.00 0.00 70.33 69.86 1v85 n THR 57 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1v85 h GLU 58 N 0.00 0.00 0.00 -0.78 4.81 -1.96 -2.40 114.58 114.25 1v85 h GLU 58 Ca -0.38 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 1v85 h GLU 58 Cb 1.21 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.59 1v85 h GLU 58 CO 0.62 0.00 -0.28 -1.91 -0.73 0.00 0.00 179.01 176.71 1v85 n GLU 59 N -2.66 0.24 -0.54 1.92 2.13 -1.26 -3.48 120.64 116.99 1v85 n GLU 59 Ca -0.02 0.38 0.44 0.00 0.66 0.00 0.00 57.16 58.62 1v85 n GLU 59 Cb 0.21 -1.23 0.72 0.00 0.27 0.00 0.00 31.44 31.41 1v85 n GLU 59 CO 0.00 0.00 0.00 0.93 -0.41 0.00 0.00 177.13 177.65 1v85 h GLU 60 N -0.52 0.01 -0.05 5.31 5.08 -1.84 1.95 114.58 124.51 1v85 h GLU 60 Ca 0.00 -0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.13 1v85 h GLU 60 Cb 0.28 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.54 1v85 h GLU 60 CO 0.00 0.00 -0.89 0.74 -1.00 0.00 0.00 179.01 177.86 1v85 h PHE 61 N 0.01 0.79 0.00 4.33 0.04 -1.62 -3.17 116.94 117.32 1v85 h PHE 61 Ca 0.90 -0.40 -0.08 0.00 2.80 0.00 0.00 57.97 61.20 1v85 h PHE 61 Cb 3.11 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 41.15 1v85 h PHE 61 CO -0.00 1.21 -0.36 1.03 -0.60 0.00 0.00 178.31 179.59 1v85 h SER 62 N 0.34 0.00 -1.82 2.17 0.87 0.29 1.86 113.55 117.27 1v85 h SER 62 Ca -0.08 0.00 -0.46 0.00 -1.23 0.00 0.00 61.79 60.03 1v85 h SER 62 Cb 1.52 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.47 1v85 h SER 62 CO 0.16 0.36 -0.38 0.00 -0.53 0.00 0.00 176.83 176.45 1v85 s ARG 63 N -3.49 2.99 0.92 2.24 1.70 0.34 -3.90 118.95 119.75 1v85 s ARG 63 Ca 0.01 -1.11 -0.10 0.00 -0.47 0.00 0.00 55.73 54.06 1v85 s ARG 63 Cb 0.10 -2.70 0.13 0.00 -0.57 0.00 0.00 34.95 31.91 1v85 s ARG 63 CO 0.68 0.08 1.03 0.00 -1.08 0.00 0.00 175.30 176.01 1v85 n ALA 64 N -1.55 -1.10 -0.05 7.88 0.00 -1.26 0.90 120.51 125.33 1v85 n ALA 64 Ca -0.01 -0.57 -0.13 0.00 0.00 0.00 0.00 53.44 52.74 1v85 n ALA 64 Cb 0.59 -2.14 -0.07 0.00 0.00 0.00 0.00 19.45 17.83 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 -1.85 0.35 -0.97 0.00 0.13 -1.96 -3.41 132.00 124.30 1v85 h PRO 65 Ca -0.43 -0.19 0.31 0.00 -0.87 0.00 0.00 66.00 64.83 1v85 h PRO 65 Cb 1.27 0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.24 1v85 h PRO 65 CO 0.40 0.74 0.31 1.88 -0.23 0.00 0.00 178.00 181.10 1v85 h TYR 66 N -0.02 0.45 -3.86 1.56 0.05 -1.83 -3.43 116.97 109.90 1v85 h TYR 66 Ca 0.02 0.05 -0.05 0.00 0.05 0.00 0.00 58.73 58.81 1v85 h TYR 66 Cb 0.67 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.36 1v85 h TYR 66 CO 0.08 -0.35 -0.06 -2.37 -1.05 0.00 0.00 178.16 174.42 1v85 n THR 67 N -5.29 -0.08 -1.32 -2.88 5.66 0.26 -4.58 114.28 106.05 1v85 n THR 67 Ca 0.28 0.00 -0.24 0.00 -3.05 0.00 0.00 64.05 61.04 1v85 n THR 67 Cb 0.93 -0.31 -0.18 0.00 -1.55 0.00 0.00 70.33 69.21 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 -2.20 0.00 -0.68 1.09 5.41 0.63 -4.69 119.36 118.93 1v85 n ILE 68 Ca -0.03 -0.32 -0.05 0.00 1.00 0.00 0.00 62.75 63.35 1v85 n ILE 68 Cb 0.38 -0.12 -0.03 0.00 -0.71 0.00 0.00 39.64 39.17 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 5.54 1.34 -3.35 0.38 1.02 -1.26 -4.22 120.64 120.08 1v85 n GLU 69 Ca 0.59 -0.47 -0.10 0.00 -0.02 0.00 0.00 57.16 57.17 1v85 n GLU 69 Cb 0.10 -1.30 -0.08 0.00 -0.02 0.00 0.00 31.44 30.14 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 1.70 0.35 0.06 1.62 3.84 -1.26 -5.06 114.94 116.20 1v85 s ASN 70 Ca 0.18 0.11 -0.32 0.00 0.21 0.00 0.00 52.86 53.04 1v85 s ASN 70 Cb 0.10 1.07 -0.17 0.00 -0.55 0.00 0.00 41.25 41.70 1v85 s ASN 70 CO -0.01 -0.31 1.49 0.28 -2.79 0.00 0.00 177.10 175.77 1v85 h SER 71 N 8.19 -1.10 -0.82 -4.21 0.02 -2.01 -2.70 113.55 110.93 1v85 h SER 71 Ca -0.18 0.06 0.25 0.00 -0.84 0.00 0.00 61.79 61.08 1v85 h SER 71 Cb 1.15 0.32 -0.15 0.00 0.14 0.00 0.00 62.40 63.86 1v85 h SER 71 CO 0.27 -0.67 0.12 -0.24 -1.14 0.00 0.00 176.83 175.17 1v85 n SER 72 N -5.17 -0.01 -0.07 3.07 2.88 -1.26 0.17 113.62 113.23 1v85 n SER 72 Ca -0.13 1.38 -0.09 0.00 -1.33 0.00 0.00 58.87 58.71 1v85 n SER 72 Cb 0.44 -0.54 -0.02 0.00 -0.75 0.00 0.00 64.21 63.35 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 0.29 -0.51 0.66 6.17 -1.91 -1.86 115.15 117.98 1v85 h HIS 73 Ca 0.54 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.62 1v85 h HIS 73 Cb 1.22 -0.09 -0.02 0.00 2.52 0.00 0.00 27.41 31.03 1v85 h HIS 73 CO -0.32 0.17 0.28 0.00 0.71 0.00 0.00 177.93 178.77 1v85 h ARG 74 N 0.32 0.71 -0.61 5.26 3.08 0.19 -2.16 114.38 121.17 1v85 h ARG 74 Ca 0.11 -0.08 0.07 0.00 0.07 0.00 0.00 59.98 60.14 1v85 h ARG 74 Cb 0.01 -0.14 -0.06 0.00 0.08 0.00 0.00 29.97 29.86 1v85 h ARG 74 CO -0.06 0.55 0.29 -0.09 -1.07 0.00 0.00 179.97 179.60 1v85 h ARG 75 N 0.68 0.53 -0.16 0.04 1.12 -0.80 0.17 114.38 115.95 1v85 h ARG 75 Ca 0.18 -0.03 -0.00 0.00 -1.11 0.00 0.00 59.98 59.01 1v85 h ARG 75 Cb 0.05 -0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 29.88 1v85 h ARG 75 CO -0.03 0.35 0.09 0.28 -3.11 0.00 0.00 179.97 177.55 1v85 h VAL 76 N 0.54 1.10 0.87 0.20 2.07 -1.05 0.31 116.25 120.28 1v85 h VAL 76 Ca 0.28 -0.26 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 1v85 h VAL 76 Cb 0.24 0.97 0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1v85 h VAL 76 CO -0.22 0.09 -0.42 0.40 0.02 0.00 0.00 177.57 177.44 1v85 h ILE 77 N 0.17 0.00 0.15 4.57 2.04 -0.90 -1.41 117.51 122.12 1v85 h ILE 77 Ca 0.06 -0.13 0.00 0.00 1.00 0.00 0.00 64.86 65.80 1v85 h ILE 77 Cb 0.06 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.12 1v85 h ILE 77 CO -0.01 0.00 -0.37 -0.07 0.00 0.00 0.00 178.15 177.70 1v85 h LEU 78 N -1.30 -1.10 -0.27 1.44 3.38 -0.71 0.29 115.31 117.04 1v85 h LEU 78 Ca -0.12 0.11 0.03 0.00 0.09 0.00 0.00 57.88 57.99 1v85 h LEU 78 Cb 0.90 0.40 -0.05 0.00 0.09 0.00 0.00 40.66 42.00 1v85 h LEU 78 CO 0.20 -0.41 -0.31 0.74 0.09 0.00 0.00 178.44 178.74 1v85 h THR 79 N -0.58 0.00 -0.72 0.22 2.02 -1.02 0.13 112.91 112.96 1v85 h THR 79 Ca -0.01 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.32 1v85 h THR 79 Cb 0.56 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.86 1v85 h THR 79 CO -0.17 0.00 0.19 -0.33 0.37 0.00 0.00 175.52 175.59 1v85 h GLU 80 N -0.19 0.29 -0.92 6.66 4.39 -1.16 0.69 114.58 124.34 1v85 h GLU 80 Ca 0.05 -0.02 0.09 0.00 0.34 0.00 0.00 59.36 59.82 1v85 h GLU 80 Cb 0.32 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 28.83 1v85 h GLU 80 CO -0.36 0.19 0.57 1.25 -1.16 0.00 0.00 179.01 179.50 1v85 h LEU 81 N 0.30 0.86 -0.97 1.33 5.85 0.12 -1.20 115.31 121.58 1v85 h LEU 81 Ca 0.40 0.03 0.11 0.00 0.84 0.00 0.00 57.88 59.26 1v85 h LEU 81 Cb 0.67 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 41.48 1v85 h LEU 81 CO -0.48 0.51 0.61 -0.08 -0.34 0.00 0.00 178.44 178.65 1v85 h GLU 82 N 0.97 0.96 0.40 1.25 4.57 0.16 -0.40 114.58 122.50 1v85 h GLU 82 Ca 0.43 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.53 1v85 h GLU 82 Cb 0.31 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.69 1v85 h GLU 82 CO -0.22 0.64 -0.19 0.00 -1.18 0.00 0.00 179.01 178.06 1v85 h ARG 83 N 0.99 -0.52 -0.84 1.92 3.08 -1.05 0.36 114.38 118.32 1v85 h ARG 83 Ca 0.47 0.04 0.21 0.00 0.07 0.00 0.00 59.98 60.76 1v85 h ARG 83 Cb 0.41 0.12 -0.14 0.00 0.08 0.00 0.00 29.97 30.44 1v85 h ARG 83 CO -0.25 -0.35 0.10 -0.39 -1.07 0.00 0.00 179.97 178.02 1v85 h VAL 84 N -0.80 0.29 -0.17 2.04 -1.51 -1.30 0.35 116.25 115.14 1v85 h VAL 84 Ca -0.05 -0.05 -0.12 0.00 -1.23 0.00 0.00 66.70 65.25 1v85 h VAL 84 Cb 0.41 0.14 0.00 0.00 -2.13 0.00 0.00 31.29 29.71 1v85 h VAL 84 CO 0.09 0.02 -0.34 0.08 -1.23 0.00 0.00 177.57 176.19 1v85 h ARG 85 N 0.14 0.54 -6.71 5.19 0.11 -1.12 -3.42 114.38 109.10 1v85 h ARG 85 Ca 0.49 -0.35 -0.52 0.00 0.10 0.00 0.00 59.98 59.70 1v85 h ARG 85 Cb 0.94 0.04 0.04 0.00 1.11 0.00 0.00 29.97 32.11 1v85 h ARG 85 CO -0.70 0.96 0.68 0.45 0.10 0.00 0.00 179.97 181.46 1v85 s SER 86 N -6.50 6.82 -0.30 0.08 0.15 0.12 -4.94 113.70 109.14 1v85 s SER 86 Ca -0.13 2.50 -0.18 0.00 0.70 0.00 0.00 55.95 58.83 1v85 s SER 86 Cb 0.06 -2.62 0.18 0.00 -1.71 0.00 0.00 66.02 61.94 1v85 s SER 86 CO 0.81 -0.57 1.24 -0.83 1.20 0.00 0.00 173.24 175.08 1v85 s GLY 87 N 0.27 0.08 1.06 9.45 0.00 -1.26 -4.80 107.32 112.12 1v85 s GLY 87 Ca 0.57 3.38 -0.14 0.00 0.00 0.00 0.00 44.72 48.52 1v85 s GLY 87 CO 0.41 3.64 1.10 2.56 0.00 0.00 0.00 173.10 180.80 1v85 s PRO 88 N 2.49 -0.09 0.01 2.90 0.04 -1.26 -4.96 135.00 134.13 1v85 s PRO 88 Ca -0.04 0.34 -0.30 0.00 0.04 0.00 0.00 61.00 61.04 1v85 s PRO 88 Cb -0.05 -1.69 -0.05 0.00 0.04 0.00 0.00 34.50 32.75 1v85 s PRO 88 CO -0.12 -3.04 1.37 -1.12 0.04 0.00 0.00 177.00 174.12 1v85 s SER 89 N -3.57 6.88 -0.05 6.66 0.01 -1.26 -4.94 113.70 117.43 1v85 s SER 89 Ca 0.67 2.09 -0.18 0.00 1.31 0.00 0.00 55.95 59.84 1v85 s SER 89 Cb -0.16 -2.56 -0.13 0.00 0.21 0.00 0.00 66.02 63.38 1v85 s SER 89 CO 0.57 -0.69 0.75 -1.28 0.41 0.00 0.00 173.24 173.01 1v85 h SER 90 N 7.66 -0.27 0.00 2.44 0.87 -2.06 -3.58 113.55 118.60 1v85 h SER 90 Ca -0.38 -0.21 0.00 0.00 -1.23 0.00 0.00 61.79 59.97 1v85 h SER 90 Cb 1.18 0.07 0.00 0.00 -0.44 0.00 0.00 62.40 63.21 1v85 h SER 90 CO 0.89 0.24 0.00 0.61 -0.53 0.00 0.00 176.83 178.04