#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cv5 s PRO 38 N 0.00 4.74 0.19 1.97 0.02 -1.26 -5.09 135.00 135.56 2cv5 s PRO 38 Ca 0.00 1.58 -0.32 0.00 0.02 0.00 0.00 61.00 62.28 2cv5 s PRO 38 Cb 0.00 -3.28 -0.12 0.00 0.02 0.00 0.00 34.50 31.12 2cv5 s PRO 38 CO 0.00 0.32 1.75 1.58 -0.33 0.00 0.00 177.00 180.32 2cv5 n HIS 39 N 1.88 2.72 -3.81 6.54 -0.00 -1.26 -4.99 115.22 116.30 2cv5 n HIS 39 Ca -0.00 -0.01 -0.18 0.00 0.46 0.00 0.00 57.72 57.99 2cv5 n HIS 39 Cb 0.47 -2.69 -0.17 0.00 -0.12 0.00 0.00 29.99 27.48 2cv5 n HIS 39 CO 0.00 0.00 0.00 0.50 0.46 0.00 0.00 176.34 177.30 2cv5 s ARG 40 N 1.56 0.17 0.44 1.57 3.52 -1.26 -5.15 118.95 119.81 2cv5 s ARG 40 Ca 0.77 0.18 -0.18 0.00 -0.13 0.00 0.00 55.73 56.37 2cv5 s ARG 40 Cb -0.50 -0.50 -0.09 0.00 -1.56 0.00 0.00 34.95 32.30 2cv5 s ARG 40 CO 0.33 -0.21 0.92 0.71 -0.81 0.00 0.00 175.30 176.24 2cv5 s TYR 41 N 1.43 3.38 0.38 5.12 2.02 -1.26 -5.04 117.35 123.38 2cv5 s TYR 41 Ca -0.04 1.46 -0.25 0.00 -0.37 0.00 0.00 57.07 57.87 2cv5 s TYR 41 Cb -0.13 -2.75 -0.09 0.00 -0.40 0.00 0.00 41.96 38.59 2cv5 s TYR 41 CO -0.03 -0.17 1.04 1.03 -1.57 0.00 0.00 175.55 175.84 2cv5 s ARG 42 N -3.53 4.26 -0.12 -0.62 0.52 -1.26 -4.94 118.95 113.27 2cv5 s ARG 42 Ca 0.59 1.50 -0.32 0.00 -0.52 0.00 0.00 55.73 56.98 2cv5 s ARG 42 Cb -0.10 -2.62 -0.09 0.00 0.52 0.00 0.00 34.95 32.67 2cv5 s ARG 42 CO 0.22 -0.05 2.03 -0.35 0.02 0.00 0.00 175.30 177.17 2cv5 n PRO 43 N 0.10 2.17 0.00 3.54 -0.04 -1.26 -1.95 135.00 137.56 2cv5 n PRO 43 Ca 0.04 0.74 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 2cv5 n PRO 43 Cb 0.49 -2.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 2cv5 n PRO 43 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2cv5 n GLY 44 N 5.05 1.58 0.05 0.55 0.00 -1.26 -4.96 105.19 106.21 2cv5 n GLY 44 Ca 0.26 -0.38 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 2cv5 n GLY 44 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 2cv5 h THR 45 N 0.00 1.15 -0.21 2.61 2.02 -1.77 0.21 112.91 116.91 2cv5 h THR 45 Ca 0.00 -0.43 -0.12 0.00 0.77 0.00 0.00 66.41 66.63 2cv5 h THR 45 Cb 0.00 1.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 2cv5 h THR 45 CO 0.00 0.12 -0.39 0.58 0.37 0.00 0.00 175.52 176.20 2cv5 h VAL 46 N -0.15 1.30 -0.86 3.16 2.07 -1.93 -0.45 116.25 119.39 2cv5 h VAL 46 Ca 0.01 -1.53 0.04 0.00 0.82 0.00 0.00 66.70 66.03 2cv5 h VAL 46 Cb 0.18 1.57 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 2cv5 h VAL 46 CO -0.00 0.48 0.55 0.00 0.02 0.00 0.00 177.57 178.62 2cv5 h ALA 47 N 1.19 1.14 -0.32 1.67 0.00 -1.86 0.89 119.26 121.97 2cv5 h ALA 47 Ca 0.04 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 2cv5 h ALA 47 Cb 0.86 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 2cv5 h ALA 47 CO 0.07 0.38 -0.32 -0.07 0.00 0.00 0.00 179.25 179.32 2cv5 h LEU 48 N 1.07 0.72 -0.61 0.00 3.38 -0.48 -1.31 115.31 118.08 2cv5 h LEU 48 Ca 0.35 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 2cv5 h LEU 48 Cb 0.02 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 2cv5 h LEU 48 CO -0.12 0.98 0.34 -0.09 0.09 0.00 0.00 178.44 179.64 2cv5 h ARG 49 N 0.58 0.84 -0.52 1.13 2.43 -0.05 -2.20 114.38 116.59 2cv5 h ARG 49 Ca 0.07 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 2cv5 h ARG 49 Cb 0.83 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 2cv5 h ARG 49 CO 0.07 0.64 0.14 0.93 -1.51 0.00 0.00 179.97 180.23 2cv5 h GLU 50 N 0.82 0.84 0.13 0.20 5.08 -0.55 -1.11 114.58 119.98 2cv5 h GLU 50 Ca 0.21 -0.20 0.01 0.00 -1.00 0.00 0.00 59.36 58.39 2cv5 h GLU 50 Cb 0.04 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2cv5 h GLU 50 CO -0.03 0.79 -0.23 0.82 -1.00 0.00 0.00 179.01 179.35 2cv5 h ILE 51 N 0.73 0.49 -0.93 3.13 2.04 -1.00 -0.28 117.51 121.68 2cv5 h ILE 51 Ca 0.17 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.08 2cv5 h ILE 51 Cb 0.32 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 36.83 2cv5 h ILE 51 CO 0.00 0.00 0.59 0.03 0.00 0.00 0.00 178.15 178.77 2cv5 h ARG 52 N -0.44 1.05 -0.63 2.37 3.08 -1.31 -0.71 114.38 117.80 2cv5 h ARG 52 Ca 0.02 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.96 2cv5 h ARG 52 Cb 0.45 -0.24 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 2cv5 h ARG 52 CO -0.12 0.69 0.19 -0.09 -1.07 0.00 0.00 179.97 179.57 2cv5 h ARG 53 N 1.08 0.98 0.00 0.04 2.43 -0.59 -2.82 114.38 115.51 2cv5 h ARG 53 Ca 0.40 -0.22 -0.08 0.00 -0.81 0.00 0.00 59.98 59.27 2cv5 h ARG 53 Cb 0.14 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 2cv5 h ARG 53 CO -0.16 0.87 -0.68 1.88 -1.51 0.00 0.00 179.97 180.37 2cv5 h TYR 54 N 0.91 0.00 0.00 2.20 0.05 -0.66 -3.10 116.97 116.37 2cv5 h TYR 54 Ca 0.20 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.98 2cv5 h TYR 54 Cb 0.31 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.05 2cv5 h TYR 54 CO 0.02 0.33 0.00 1.04 -1.05 0.00 0.00 178.16 178.51 2cv5 n GLN 55 N -3.04 0.03 0.06 4.88 6.02 -0.31 -2.67 117.38 122.36 2cv5 n GLN 55 Ca -0.01 0.09 0.11 0.00 -0.01 0.00 0.00 57.00 57.19 2cv5 n GLN 55 Cb 0.69 -1.54 -0.07 0.00 1.02 0.00 0.00 30.24 30.34 2cv5 n GLN 55 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 2cv5 n LYS 56 N -1.60 0.61 -3.65 -1.09 4.81 -1.07 -4.96 118.16 111.22 2cv5 n LYS 56 Ca 0.06 -0.01 -0.21 0.00 -0.87 0.00 0.00 58.31 57.28 2cv5 n LYS 56 Cb 0.31 -1.70 -0.04 0.00 0.02 0.00 0.00 35.03 33.62 2cv5 n LYS 56 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2cv5 s SER 57 N -4.97 4.95 0.00 3.14 1.04 -1.09 -5.06 113.70 111.72 2cv5 s SER 57 Ca -0.03 -0.80 0.00 0.00 0.48 0.00 0.00 55.95 55.60 2cv5 s SER 57 Cb 0.11 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.69 2cv5 s SER 57 CO 0.84 -0.65 0.63 0.35 0.98 0.00 0.00 173.24 175.39 2cv5 n THR 58 N -1.51 0.38 -1.82 2.02 -2.24 -1.26 -4.94 114.28 104.91 2cv5 n THR 58 Ca 0.03 -0.56 -0.34 0.00 -2.27 0.00 0.00 64.05 60.91 2cv5 n THR 58 Cb 0.62 0.94 0.05 0.00 -2.10 0.00 0.00 70.33 69.83 2cv5 n THR 58 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 2cv5 s GLU 59 N -0.38 2.79 0.17 -0.78 1.03 -1.26 -4.94 118.70 115.32 2cv5 s GLU 59 Ca 0.00 1.56 -0.31 0.00 0.03 0.00 0.00 54.97 56.25 2cv5 s GLU 59 Cb 0.00 -1.93 -0.10 0.00 -0.80 0.00 0.00 34.13 31.30 2cv5 s GLU 59 CO 0.00 -1.29 1.52 -0.51 -1.33 0.00 0.00 175.26 173.65 2cv5 s LEU 60 N -4.62 4.37 0.32 1.83 1.43 -1.26 -4.92 118.68 115.83 2cv5 s LEU 60 Ca 0.71 2.57 0.23 0.00 -1.03 0.00 0.00 54.13 56.60 2cv5 s LEU 60 Cb -0.24 -3.60 0.17 0.00 0.03 0.00 0.00 46.19 42.55 2cv5 s LEU 60 CO 0.38 -0.78 1.32 -0.07 0.23 0.00 0.00 176.35 177.44 2cv5 h LEU 61 N 6.57 0.00 -9.77 1.79 3.38 -1.97 -3.45 115.31 111.86 2cv5 h LEU 61 Ca -0.43 -0.00 -0.61 0.00 0.09 0.00 0.00 57.88 56.93 2cv5 h LEU 61 Cb 1.21 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.91 2cv5 h LEU 61 CO 0.89 0.00 -0.29 -0.63 0.09 0.00 0.00 178.44 178.50 2cv5 s ILE 62 N -3.29 5.17 0.46 1.22 1.01 -1.26 -5.06 121.20 119.44 2cv5 s ILE 62 Ca 0.03 0.43 -0.23 0.00 0.00 0.00 0.00 60.65 60.89 2cv5 s ILE 62 Cb 0.07 -3.62 -0.07 0.00 0.01 0.00 0.00 42.46 38.85 2cv5 s ILE 62 CO 0.73 0.39 1.18 -0.13 0.00 0.00 0.00 174.94 177.11 2cv5 s ARG 63 N -1.65 3.73 0.01 2.79 0.52 -1.26 -4.98 118.95 118.11 2cv5 s ARG 63 Ca 0.29 1.81 -0.06 0.00 -0.52 0.00 0.00 55.73 57.24 2cv5 s ARG 63 Cb -0.14 -2.41 -0.03 0.00 0.52 0.00 0.00 34.95 32.89 2cv5 s ARG 63 CO 0.16 -0.58 1.09 0.87 0.02 0.00 0.00 175.30 176.85 2cv5 h LYS 64 N 2.04 -0.20 -0.36 3.54 6.56 -1.97 -2.80 116.57 123.37 2cv5 h LYS 64 Ca -0.49 0.01 0.08 0.00 -1.06 0.00 0.00 60.65 59.19 2cv5 h LYS 64 Cb 1.25 0.05 -0.09 0.00 -0.57 0.00 0.00 32.23 32.87 2cv5 h LYS 64 CO 0.60 -0.14 -0.30 1.25 -2.06 0.00 0.00 179.45 178.81 2cv5 h LEU 65 N -0.21 -0.98 -1.22 2.94 5.85 -1.99 0.16 115.31 119.86 2cv5 h LEU 65 Ca -0.02 0.18 0.12 0.00 0.84 0.00 0.00 57.88 59.00 2cv5 h LEU 65 Cb 0.16 0.47 -0.07 0.00 0.37 0.00 0.00 40.66 41.59 2cv5 h LEU 65 CO 0.03 -0.31 0.58 -0.65 -0.34 0.00 0.00 178.44 177.75 2cv5 h PRO 66 N -0.24 0.77 -0.23 5.25 0.11 -1.99 0.67 132.00 136.33 2cv5 h PRO 66 Ca 0.17 -0.05 -0.17 0.00 0.11 0.00 0.00 66.00 66.06 2cv5 h PRO 66 Cb 0.52 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 31.45 2cv5 h PRO 66 CO -0.50 0.51 -0.55 0.35 -0.21 0.00 0.00 178.00 177.59 2cv5 h PHE 67 N 0.79 0.90 -0.19 0.65 3.57 -0.91 -2.61 116.94 119.15 2cv5 h PHE 67 Ca 0.44 -0.32 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 2cv5 h PHE 67 Cb 0.58 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2cv5 h PHE 67 CO -0.00 1.10 0.11 0.37 -2.23 0.00 0.00 178.31 177.66 2cv5 h GLN 68 N 0.55 0.25 -0.54 1.11 4.15 0.12 -2.00 115.11 118.75 2cv5 h GLN 68 Ca 0.01 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.45 2cv5 h GLN 68 Cb 1.13 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.72 2cv5 h GLN 68 CO 0.11 0.22 0.30 0.00 -1.93 0.00 0.00 178.83 177.53 2cv5 h ARG 69 N 0.21 0.56 -0.55 1.69 3.08 -0.90 -0.90 114.38 117.58 2cv5 h ARG 69 Ca 0.07 -0.03 0.07 0.00 0.07 0.00 0.00 59.98 60.15 2cv5 h ARG 69 Cb 0.04 -0.13 -0.06 0.00 0.08 0.00 0.00 29.97 29.90 2cv5 h ARG 69 CO -0.01 0.37 0.24 1.25 -1.07 0.00 0.00 179.97 180.74 2cv5 h LEU 70 N 0.58 0.29 -0.25 3.04 5.85 -1.23 0.23 115.31 123.82 2cv5 h LEU 70 Ca 0.23 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.99 2cv5 h LEU 70 Cb 0.11 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 2cv5 h LEU 70 CO -0.14 0.19 0.10 0.58 -0.34 0.00 0.00 178.44 178.83 2cv5 h VAL 71 N 0.45 1.17 -0.47 1.05 2.07 -0.89 -0.37 116.25 119.26 2cv5 h VAL 71 Ca 0.26 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 67.20 2cv5 h VAL 71 Cb 0.24 1.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2cv5 h VAL 71 CO -0.23 0.17 0.04 0.03 0.02 0.00 0.00 177.57 177.60 2cv5 h ARG 72 N 0.25 0.75 0.31 1.57 3.08 -0.63 -0.85 114.38 118.86 2cv5 h ARG 72 Ca 0.08 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 2cv5 h ARG 72 Cb 0.18 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2cv5 h ARG 72 CO -0.01 0.74 -0.15 1.49 -1.07 0.00 0.00 179.97 180.97 2cv5 h GLU 73 N 0.71 -0.40 -0.21 0.04 4.81 -0.26 0.55 114.58 119.82 2cv5 h GLU 73 Ca 0.15 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.44 2cv5 h GLU 73 Cb 0.38 0.09 -0.04 0.00 0.63 0.00 0.00 28.75 29.82 2cv5 h GLU 73 CO 0.01 -0.14 -0.03 0.82 -0.73 0.00 0.00 179.01 178.94 2cv5 h ILE 74 N -0.63 0.81 -0.71 2.32 2.04 -1.00 -2.24 117.51 118.10 2cv5 h ILE 74 Ca -0.04 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 2cv5 h ILE 74 Cb 0.45 0.79 -0.03 0.00 -0.74 0.00 0.00 36.82 37.28 2cv5 h ILE 74 CO 0.07 0.00 0.42 0.00 0.00 0.00 0.00 178.15 178.65 2cv5 h ALA 75 N 1.20 0.91 -0.95 1.87 0.00 -1.08 -2.28 119.26 118.93 2cv5 h ALA 75 Ca 0.10 -0.09 0.18 0.00 0.00 0.00 0.00 54.91 55.10 2cv5 h ALA 75 Cb 0.14 -0.29 -0.08 0.00 0.00 0.00 0.00 17.79 17.56 2cv5 h ALA 75 CO -0.20 0.38 0.60 0.37 0.00 0.00 0.00 179.25 180.41 2cv5 h GLN 76 N 0.97 0.65 0.00 0.00 5.75 0.69 0.11 115.11 123.28 2cv5 h GLN 76 Ca 0.25 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.71 2cv5 h GLN 76 Cb -0.02 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.38 2cv5 h GLN 76 CO -0.05 0.43 0.00 -0.25 -2.65 0.00 0.00 178.83 176.32 2cv5 n ASP 77 N -4.63 0.00 -0.11 -0.69 8.00 -0.86 -3.40 116.55 114.87 2cv5 n ASP 77 Ca 0.20 -0.00 -0.17 0.00 0.71 0.00 0.00 54.79 55.53 2cv5 n ASP 77 Cb 0.56 -0.29 -0.10 0.00 -0.02 0.00 0.00 41.12 41.28 2cv5 n ASP 77 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2cv5 n PHE 78 N -1.29 0.00 -3.67 1.24 0.99 0.32 -4.99 117.46 110.06 2cv5 n PHE 78 Ca 0.10 0.00 -0.09 0.00 -0.00 0.00 0.00 57.45 57.46 2cv5 n PHE 78 Cb 0.16 -0.86 -0.10 0.00 -1.00 0.00 0.00 39.48 37.69 2cv5 n PHE 78 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.76 176.97 2cv5 s LYS 79 N -2.44 0.40 0.61 -1.08 2.36 -0.85 -5.15 119.74 113.59 2cv5 s LYS 79 Ca -0.31 0.95 -0.12 0.00 -2.55 0.00 0.00 55.97 53.94 2cv5 s LYS 79 Cb 0.09 0.16 -0.04 0.00 -1.05 0.00 0.00 37.83 36.98 2cv5 s LYS 79 CO 0.50 -0.19 1.02 0.95 1.55 0.00 0.00 175.35 179.18 2cv5 s THR 80 N 1.93 4.65 -1.63 3.43 -4.23 -1.25 -4.13 115.64 114.41 2cv5 s THR 80 Ca -0.07 0.92 0.00 0.00 -1.18 0.00 0.00 61.69 61.37 2cv5 s THR 80 Cb -0.10 -3.82 0.00 0.00 1.34 0.00 0.00 72.50 69.92 2cv5 s THR 80 CO -0.14 -1.06 0.00 0.47 -0.54 0.00 0.00 174.62 173.35 2cv5 n ASP 81 N -2.58 -5.00 -4.80 3.99 8.00 -1.26 -4.98 116.55 109.91 2cv5 n ASP 81 Ca 0.06 0.23 -0.34 0.00 0.71 0.00 0.00 54.79 55.45 2cv5 n ASP 81 Cb 0.54 -4.03 -0.04 0.00 -0.02 0.00 0.00 41.12 37.57 2cv5 n ASP 81 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2cv5 s LEU 82 N -4.26 3.90 0.41 0.64 1.43 -1.26 -5.06 118.68 114.48 2cv5 s LEU 82 Ca 0.00 1.88 0.07 0.00 -1.03 0.00 0.00 54.13 55.05 2cv5 s LEU 82 Cb 0.00 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.67 2cv5 s LEU 82 CO 0.00 -0.64 0.27 -0.13 0.23 0.00 0.00 176.35 176.08 2cv5 s ARG 83 N -3.14 2.37 -0.06 1.70 0.52 -1.26 -5.07 118.95 114.02 2cv5 s ARG 83 Ca 0.65 -1.70 -0.04 0.00 -0.52 0.00 0.00 55.73 54.13 2cv5 s ARG 83 Cb -0.15 -2.17 0.02 0.00 0.52 0.00 0.00 34.95 33.17 2cv5 s ARG 83 CO 0.19 -0.15 0.14 -0.06 0.02 0.00 0.00 175.30 175.44 2cv5 s PHE 84 N -2.54 -0.15 0.35 -0.53 0.40 -1.26 -5.13 117.98 109.12 2cv5 s PHE 84 Ca 0.44 0.41 -0.26 0.00 -0.60 0.00 0.00 56.93 56.91 2cv5 s PHE 84 Cb 0.00 -0.01 -0.09 0.00 0.51 0.00 0.00 43.02 43.44 2cv5 s PHE 84 CO 0.25 -0.11 1.10 -0.65 0.70 0.00 0.00 175.22 176.51 2cv5 s GLN 85 N 0.53 4.34 0.27 0.44 -0.21 -1.26 -4.90 119.66 118.87 2cv5 s GLN 85 Ca -0.04 1.70 -0.01 0.00 0.02 0.00 0.00 55.36 57.03 2cv5 s GLN 85 Cb -0.05 -2.84 0.59 0.00 1.00 0.00 0.00 33.01 31.71 2cv5 s GLN 85 CO -0.02 -0.03 1.68 1.03 -2.12 0.00 0.00 175.29 175.82 2cv5 h SER 86 N 3.07 0.07 -0.52 5.90 0.87 -2.01 0.81 113.55 121.74 2cv5 h SER 86 Ca -0.48 0.16 0.02 0.00 -1.23 0.00 0.00 61.79 60.27 2cv5 h SER 86 Cb 1.22 0.20 -0.03 0.00 -0.44 0.00 0.00 62.40 63.35 2cv5 h SER 86 CO 0.64 -0.06 0.35 0.28 -0.53 0.00 0.00 176.83 177.51 2cv5 h SER 87 N 0.28 0.54 -0.45 6.23 0.02 -1.99 -2.52 113.55 115.66 2cv5 h SER 87 Ca 0.49 -0.01 0.01 0.00 -0.84 0.00 0.00 61.79 61.44 2cv5 h SER 87 Cb 0.90 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 63.28 2cv5 h SER 87 CO -0.56 0.38 0.29 0.00 -1.14 0.00 0.00 176.83 175.80 2cv5 h ALA 88 N 1.69 0.57 -0.48 3.77 0.00 -1.19 0.40 119.26 124.02 2cv5 h ALA 88 Ca 0.21 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 2cv5 h ALA 88 Cb 0.04 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2cv5 h ALA 88 CO -0.05 -0.01 -0.18 0.28 0.00 0.00 0.00 179.25 179.29 2cv5 h VAL 89 N 0.58 1.27 -0.63 0.00 2.07 -1.37 -1.57 116.25 116.59 2cv5 h VAL 89 Ca 0.17 -1.32 -0.04 0.00 0.82 0.00 0.00 66.70 66.33 2cv5 h VAL 89 Cb -0.03 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2cv5 h VAL 89 CO -0.06 0.46 0.25 0.24 0.02 0.00 0.00 177.57 178.48 2cv5 h MET 90 N 0.82 0.94 -0.48 1.57 2.86 -1.16 0.14 114.93 119.63 2cv5 h MET 90 Ca 0.12 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2cv5 h MET 90 Cb 0.73 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 2cv5 h MET 90 CO 0.06 0.79 0.30 0.00 1.06 0.00 0.00 176.91 179.12 2cv5 h ALA 91 N 1.10 0.61 -0.34 6.32 0.00 -0.68 0.21 119.26 126.49 2cv5 h ALA 91 Ca 0.21 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2cv5 h ALA 91 Cb 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 2cv5 h ALA 91 CO -0.02 0.09 0.21 -0.07 0.00 0.00 0.00 179.25 179.47 2cv5 h LEU 92 N 0.64 0.40 -0.80 0.00 3.38 -0.81 -0.91 115.31 117.21 2cv5 h LEU 92 Ca 0.17 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 2cv5 h LEU 92 Cb -0.02 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.59 2cv5 h LEU 92 CO -0.03 0.31 0.36 -0.61 0.09 0.00 0.00 178.44 178.56 2cv5 h GLN 93 N 0.44 1.17 -0.47 1.13 4.15 -0.57 -0.44 115.11 120.53 2cv5 h GLN 93 Ca 0.12 -0.19 -0.02 0.00 0.77 0.00 0.00 58.65 59.33 2cv5 h GLN 93 Cb -0.02 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.45 2cv5 h GLN 93 CO -0.02 0.92 0.22 0.93 -1.93 0.00 0.00 178.83 178.95 2cv5 h GLU 94 N 1.15 0.69 -0.53 1.69 4.39 -0.69 -2.04 114.58 119.24 2cv5 h GLU 94 Ca 0.27 -0.11 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 2cv5 h GLU 94 Cb 0.16 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.67 2cv5 h GLU 94 CO -0.03 0.60 0.16 0.00 -1.16 0.00 0.00 179.01 178.58 2cv5 h ALA 95 N 1.06 0.70 -0.46 3.43 0.00 -0.71 -2.03 119.26 121.26 2cv5 h ALA 95 Ca 0.16 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2cv5 h ALA 95 Cb 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2cv5 h ALA 95 CO -0.02 0.37 0.06 0.00 0.00 0.00 0.00 179.25 179.67 2cv5 h GLU 97 N 0.62 1.01 -0.37 0.00 5.08 -1.36 0.03 114.58 119.60 2cv5 h GLU 97 Ca 0.14 -0.38 -0.08 0.00 -1.00 0.00 0.00 59.36 58.03 2cv5 h GLU 97 Cb 0.40 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2cv5 h GLU 97 CO 0.01 1.06 -0.11 0.00 -1.00 0.00 0.00 179.01 178.97 2cv5 h ALA 98 N 0.92 1.11 0.18 3.43 0.00 -1.24 -0.74 119.26 122.91 2cv5 h ALA 98 Ca 0.14 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2cv5 h ALA 98 Cb 0.68 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2cv5 h ALA 98 CO 0.05 0.55 -0.08 -0.92 0.00 0.00 0.00 179.25 178.85 2cv5 h TYR 99 N 0.59 -0.22 -0.09 0.00 3.20 -0.84 -2.36 116.97 117.26 2cv5 h TYR 99 Ca 0.10 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.98 2cv5 h TYR 99 Cb 0.54 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.88 2cv5 h TYR 99 CO 0.02 0.10 0.03 -0.07 -1.64 0.00 0.00 178.16 176.60 2cv5 h LEU 100 N -0.55 0.02 -0.45 2.82 3.38 -0.83 -1.03 115.31 118.67 2cv5 h LEU 100 Ca -0.02 0.01 0.09 0.00 0.09 0.00 0.00 57.88 58.05 2cv5 h LEU 100 Cb 0.41 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.08 2cv5 h LEU 100 CO 0.04 0.03 -0.21 0.58 0.09 0.00 0.00 178.44 178.97 2cv5 h VAL 101 N 0.07 0.38 -0.72 1.22 2.07 -1.17 0.14 116.25 118.24 2cv5 h VAL 101 Ca 0.04 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.60 2cv5 h VAL 101 Cb 0.02 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 30.13 2cv5 h VAL 101 CO -0.04 0.00 0.48 1.23 0.02 0.00 0.00 177.57 179.25 2cv5 h GLY 102 N -0.11 0.99 1.04 2.17 0.00 -1.07 -0.81 103.07 105.28 2cv5 h GLY 102 Ca 0.22 -0.34 -0.11 0.00 0.00 0.00 0.00 47.33 47.10 2cv5 h GLY 102 CO -0.53 0.28 -0.18 -2.00 0.00 0.00 0.00 176.54 174.12 2cv5 h LEU 103 N 0.85 0.90 -1.13 3.11 5.85 0.32 -2.28 115.31 122.94 2cv5 h LEU 103 Ca 0.29 -0.39 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 2cv5 h LEU 103 Cb 0.10 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2cv5 h LEU 103 CO -0.09 1.09 0.02 -0.26 -0.34 0.00 0.00 178.44 178.86 2cv5 h PHE 104 N 0.70 0.65 0.24 1.25 0.04 -0.20 0.30 116.94 119.93 2cv5 h PHE 104 Ca 0.10 -0.07 -0.01 0.00 2.80 0.00 0.00 57.97 60.79 2cv5 h PHE 104 Cb 0.74 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 2cv5 h PHE 104 CO 0.05 0.61 -0.16 0.93 -0.60 0.00 0.00 178.31 179.15 2cv5 h GLU 105 N 0.60 -0.38 -0.56 1.51 5.08 -0.75 0.31 114.58 120.39 2cv5 h GLU 105 Ca 0.13 0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.48 2cv5 h GLU 105 Cb 0.35 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2cv5 h GLU 105 CO 0.01 -0.25 0.20 -0.44 -1.00 0.00 0.00 179.01 177.53 2cv5 h ASP 106 N -0.40 0.79 -0.89 1.42 3.32 -1.12 -2.13 116.42 117.42 2cv5 h ASP 106 Ca -0.02 -0.19 0.05 0.00 0.02 0.00 0.00 57.03 56.89 2cv5 h ASP 106 Cb 0.34 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 2cv5 h ASP 106 CO 0.01 0.77 0.56 0.74 -1.72 0.00 0.00 179.24 179.60 2cv5 h THR 107 N 0.77 1.09 -0.57 0.35 2.02 -0.17 -1.70 112.91 114.69 2cv5 h THR 107 Ca 0.18 -0.36 -0.02 0.00 0.77 0.00 0.00 66.41 66.98 2cv5 h THR 107 Cb 0.24 -0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 2cv5 h THR 107 CO -0.01 0.19 0.28 -1.13 0.37 0.00 0.00 175.52 175.22 2cv5 h ASN 108 N 1.05 0.74 -0.04 4.18 -1.24 0.19 -1.82 115.58 118.65 2cv5 h ASN 108 Ca 0.38 -0.12 -0.01 0.00 0.71 0.00 0.00 56.30 57.26 2cv5 h ASN 108 Cb 0.11 -0.19 -0.00 0.00 0.73 0.00 0.00 38.32 38.97 2cv5 h ASN 108 CO -0.15 0.66 0.01 -0.07 -1.29 0.00 0.00 177.43 176.59 2cv5 h LEU 109 N 0.77 0.07 -0.14 0.34 3.38 -0.71 -0.08 115.31 118.95 2cv5 h LEU 109 Ca 0.20 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.97 2cv5 h LEU 109 Cb 0.11 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 40.85 2cv5 h LEU 109 CO -0.03 0.08 -0.67 0.00 0.09 0.00 0.00 178.44 177.91 2cv5 h ALA 111 N 0.52 0.46 -0.35 0.00 0.00 -0.63 -2.68 119.26 116.58 2cv5 h ALA 111 Ca -0.04 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 2cv5 h ALA 111 Cb 1.31 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 2cv5 h ALA 111 CO 0.14 0.15 -0.02 0.82 0.00 0.00 0.00 179.25 180.34 2cv5 h ILE 112 N 0.40 1.21 0.00 0.00 2.04 -1.01 -1.25 117.51 118.90 2cv5 h ILE 112 Ca 0.10 -0.84 -0.02 0.00 1.00 0.00 0.00 64.86 65.10 2cv5 h ILE 112 Cb 0.35 0.96 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 2cv5 h ILE 112 CO 0.01 0.29 -0.11 -0.74 0.00 0.00 0.00 178.15 177.59 2cv5 h HIS 113 N 0.52 0.00 -0.40 1.37 2.76 -0.93 -0.92 115.15 117.55 2cv5 h HIS 113 Ca 0.11 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.28 2cv5 h HIS 113 Cb 0.36 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.32 2cv5 h HIS 113 CO 0.01 0.11 0.00 0.00 -1.30 0.00 0.00 177.93 176.76 2cv5 n ALA 114 N -2.47 3.31 -3.15 5.26 0.00 -0.80 -4.90 120.51 117.76 2cv5 n ALA 114 Ca -0.03 -1.24 -0.21 0.00 0.00 0.00 0.00 53.44 51.96 2cv5 n ALA 114 Cb 0.19 -1.07 0.05 0.00 0.00 0.00 0.00 19.45 18.62 2cv5 n ALA 114 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2cv5 n LYS 115 N 0.49 -5.47 -4.44 0.00 5.02 -0.35 -5.01 118.16 108.40 2cv5 n LYS 115 Ca 0.19 0.80 -0.22 0.00 -2.02 0.00 0.00 58.31 57.05 2cv5 n LYS 115 Cb 0.83 -5.52 -0.10 0.00 -0.02 0.00 0.00 35.03 30.22 2cv5 n LYS 115 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 2cv5 s ARG 116 N -5.81 1.57 -0.00 1.97 0.52 -0.54 -5.01 118.95 111.65 2cv5 s ARG 116 Ca 0.37 -1.77 0.03 0.00 -0.52 0.00 0.00 55.73 53.84 2cv5 s ARG 116 Cb -0.16 -1.34 -0.03 0.00 0.52 0.00 0.00 34.95 33.93 2cv5 s ARG 116 CO 0.46 0.13 0.13 0.28 0.02 0.00 0.00 175.30 176.33 2cv5 n VAL 117 N -0.58 0.00 -3.82 3.52 0.31 -1.26 -3.25 118.33 113.24 2cv5 n VAL 117 Ca -0.06 -0.42 -0.36 0.00 -0.01 0.00 0.00 64.34 63.49 2cv5 n VAL 117 Cb 0.62 1.00 -0.11 0.00 -0.91 0.00 0.00 33.84 34.43 2cv5 n VAL 117 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2cv5 s THR 118 N -1.31 4.62 0.27 2.52 2.01 -1.26 -5.00 115.64 117.50 2cv5 s THR 118 Ca 0.01 -0.08 -0.29 0.00 0.31 0.00 0.00 61.69 61.64 2cv5 s THR 118 Cb 0.02 -3.14 -0.09 0.00 0.01 0.00 0.00 72.50 69.30 2cv5 s THR 118 CO 0.13 0.36 1.03 0.27 -0.69 0.00 0.00 174.62 175.72 2cv5 s ILE 119 N 1.24 3.75 0.08 1.82 -4.36 -1.26 -4.89 121.20 117.58 2cv5 s ILE 119 Ca 0.05 1.72 0.02 0.00 -0.26 0.00 0.00 60.65 62.19 2cv5 s ILE 119 Cb -0.14 -4.08 -0.04 0.00 1.25 0.00 0.00 42.46 39.45 2cv5 s ILE 119 CO 0.04 0.38 -0.07 -0.04 0.24 0.00 0.00 174.94 175.49 2cv5 s MET 120 N -1.43 0.76 0.34 0.37 -1.94 -1.26 -5.04 119.30 111.11 2cv5 s MET 120 Ca 0.44 -1.19 0.14 0.00 -1.71 0.00 0.00 55.69 53.37 2cv5 s MET 120 Cb -0.29 -0.25 1.11 0.00 2.01 0.00 0.00 34.83 37.42 2cv5 s MET 120 CO 0.36 0.00 1.59 -1.35 -0.01 0.00 0.00 175.02 175.62 2cv5 h PRO 121 N 3.37 0.06 -0.45 2.03 0.11 -2.00 1.09 132.00 136.20 2cv5 h PRO 121 Ca -0.36 -0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.83 2cv5 h PRO 121 Cb 1.18 -0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2cv5 h PRO 121 CO 0.58 0.04 0.31 0.87 -0.21 0.00 0.00 178.00 179.59 2cv5 h LYS 122 N 0.06 0.27 -0.30 1.05 1.57 -1.98 0.17 116.57 117.41 2cv5 h LYS 122 Ca 0.75 -0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 59.35 2cv5 h LYS 122 Cb 1.82 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 34.07 2cv5 h LYS 122 CO -0.78 0.18 -0.46 -0.44 -0.57 0.00 0.00 179.45 177.38 2cv5 h ASP 123 N 0.28 0.91 0.49 0.86 3.32 0.90 -0.46 116.42 122.73 2cv5 h ASP 123 Ca 0.21 -0.51 -0.11 0.00 0.02 0.00 0.00 57.03 56.63 2cv5 h ASP 123 Cb 0.45 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 2cv5 h ASP 123 CO -0.04 1.25 -0.51 0.40 -1.72 0.00 0.00 179.24 178.62 2cv5 h ILE 124 N 0.61 1.37 -0.02 0.35 2.04 -1.18 -1.88 117.51 118.79 2cv5 h ILE 124 Ca 0.03 -1.76 -0.01 0.00 1.00 0.00 0.00 64.86 64.11 2cv5 h ILE 124 Cb 1.06 1.94 -0.00 0.00 -0.74 0.00 0.00 36.82 39.08 2cv5 h ILE 124 CO 0.11 0.51 -0.03 1.56 0.00 0.00 0.00 178.15 180.29 2cv5 h GLN 125 N 0.02 0.05 -0.72 2.37 4.20 -0.87 -0.89 115.11 119.28 2cv5 h GLN 125 Ca -0.00 -0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.72 2cv5 h GLN 125 Cb 0.92 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.65 2cv5 h GLN 125 CO 0.07 0.58 0.43 1.25 -0.67 0.00 0.00 178.83 180.49 2cv5 h LEU 126 N -0.47 0.68 -0.38 1.46 5.85 -1.00 0.13 115.31 121.57 2cv5 h LEU 126 Ca 0.00 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 2cv5 h LEU 126 Cb 0.58 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 2cv5 h LEU 126 CO 0.01 0.45 0.06 0.00 -0.34 0.00 0.00 178.44 178.62 2cv5 h ALA 127 N 1.34 0.51 -0.10 1.25 0.00 -1.29 -0.29 119.26 120.66 2cv5 h ALA 127 Ca 0.31 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2cv5 h ALA 127 Cb 0.11 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2cv5 h ALA 127 CO -0.15 0.22 -0.27 0.00 0.00 0.00 0.00 179.25 179.05 2cv5 h ARG 128 N 0.48 0.19 0.14 0.00 3.08 -0.81 0.38 114.38 117.83 2cv5 h ARG 128 Ca 0.12 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2cv5 h ARG 128 Cb 0.37 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2cv5 h ARG 128 CO 0.01 0.45 -0.07 -0.09 -1.07 0.00 0.00 179.97 179.20 2cv5 h ARG 129 N 0.17 -0.18 -0.81 0.04 9.65 -0.64 0.19 114.38 122.80 2cv5 h ARG 129 Ca 0.03 0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.91 2cv5 h ARG 129 Cb 0.57 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 29.16 2cv5 h ARG 129 CO 0.04 0.21 0.48 0.82 2.80 0.00 0.00 179.97 184.32 2cv5 h ILE 130 N -0.61 1.23 0.00 1.20 2.04 -0.90 0.11 117.51 120.59 2cv5 h ILE 130 Ca -0.02 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.32 2cv5 h ILE 130 Cb 0.47 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2cv5 h ILE 130 CO 0.03 0.25 0.00 0.54 0.00 0.00 0.00 178.15 178.97 2cv5 n ARG 131 N -4.45 0.16 -0.75 2.37 1.74 0.11 -4.82 116.66 111.02 2cv5 n ARG 131 Ca 0.08 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.73 2cv5 n ARG 131 Cb 0.07 -1.94 0.00 0.00 -1.02 0.00 0.00 32.46 29.57 2cv5 n ARG 131 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cv5 n GLY 132 N -0.87 0.55 0.14 -0.13 0.00 0.03 -4.94 105.19 99.97 2cv5 n GLY 132 Ca -0.00 -0.72 0.07 0.00 0.00 0.00 0.00 46.02 45.37 2cv5 n GLY 132 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2cv5 h GLU 133 N 0.22 0.00 -0.15 1.61 5.08 -0.82 -3.39 114.58 117.14 2cv5 h GLU 133 Ca 0.00 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.17 2cv5 h GLU 133 Cb 0.00 0.00 -0.24 0.00 0.50 0.00 0.00 28.75 29.01 2cv5 h GLU 133 CO 0.00 0.17 -0.57 -2.13 -1.00 0.00 0.00 179.01 175.48 2cv5 n ARG 134 N -2.94 1.45 0.00 2.33 0.63 -1.00 -4.98 116.66 112.15 2cv5 n ARG 134 Ca -0.01 -2.00 0.00 0.00 -0.92 0.00 0.00 57.85 54.92 2cv5 n ARG 134 Cb 0.65 -0.27 0.00 0.00 0.45 0.00 0.00 32.46 33.29 2cv5 n ARG 134 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12