#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cv5 n HIS 39 N 0.00 2.85 -3.29 6.00 -0.00 -1.26 -4.99 115.22 114.53 2cv5 n HIS 39 Ca 0.00 0.20 -0.05 0.00 0.46 0.00 0.00 57.72 58.33 2cv5 n HIS 39 Cb 0.00 -2.62 -0.06 0.00 -0.12 0.00 0.00 29.99 27.20 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 -0.15 0.42 0.60 1.57 3.52 -1.26 -5.15 118.95 118.49 2cv5 s ARG 40 Ca 0.66 0.61 -0.20 0.00 -0.13 0.00 0.00 55.73 56.67 2cv5 s ARG 40 Cb -0.50 -0.17 -0.03 0.00 -1.56 0.00 0.00 34.95 32.69 2cv5 s ARG 40 CO 0.45 -0.69 1.33 0.71 -0.81 0.00 0.00 175.30 176.29 2cv5 s TYR 41 N 2.63 2.17 0.44 5.12 2.02 -1.26 -4.98 117.35 123.49 2cv5 s TYR 41 Ca 0.14 1.42 -0.23 0.00 -0.37 0.00 0.00 57.07 58.04 2cv5 s TYR 41 Cb -0.15 -3.76 -0.09 0.00 -0.40 0.00 0.00 41.96 37.56 2cv5 s TYR 41 CO -0.19 -2.96 1.06 1.03 -1.57 0.00 0.00 175.55 172.92 2cv5 s ARG 42 N -3.14 3.98 -0.02 -0.62 0.52 -1.26 -4.94 118.95 113.48 2cv5 s ARG 42 Ca 0.77 1.50 -0.34 0.00 -0.52 0.00 0.00 55.73 57.14 2cv5 s ARG 42 Cb -0.39 -2.37 -0.12 0.00 0.52 0.00 0.00 34.95 32.59 2cv5 s ARG 42 CO 0.44 -0.30 1.83 -0.35 0.02 0.00 0.00 175.30 176.94 2cv5 n PRO 43 N -0.43 2.27 0.00 3.54 -0.04 -1.26 -1.92 135.00 137.15 2cv5 n PRO 43 Ca 0.07 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.36 2cv5 n PRO 43 Cb 0.50 -2.67 0.00 0.00 -0.04 0.00 0.00 33.50 31.29 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 4.22 3.17 0.36 0.55 0.00 -1.26 -4.91 105.19 107.32 2cv5 n GLY 44 Ca 0.21 -1.04 0.04 0.00 0.00 0.00 0.00 46.02 45.22 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 1.03 0.05 2.61 2.02 -1.76 0.24 112.91 117.10 2cv5 h THR 45 Ca 0.00 -0.37 -0.23 0.00 0.77 0.00 0.00 66.41 66.58 2cv5 h THR 45 Cb 0.00 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.25 2cv5 h THR 45 CO 0.00 0.20 -1.05 0.58 0.37 0.00 0.00 175.52 175.62 2cv5 h VAL 46 N 1.09 1.58 -0.57 3.16 2.07 -1.91 -1.88 116.25 119.79 2cv5 h VAL 46 Ca 0.44 -3.09 -0.08 0.00 0.82 0.00 0.00 66.70 64.80 2cv5 h VAL 46 Cb 0.26 2.78 -0.02 0.00 -1.52 0.00 0.00 31.29 32.79 2cv5 h VAL 46 CO -0.20 0.89 0.06 0.00 0.02 0.00 0.00 177.57 178.34 2cv5 h ALA 47 N 0.85 0.76 -0.10 1.67 0.00 -1.72 -0.48 119.26 120.25 2cv5 h ALA 47 Ca -0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2cv5 h ALA 47 Cb 1.77 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 19.34 2cv5 h ALA 47 CO 0.16 0.53 0.03 -0.07 0.00 0.00 0.00 179.25 179.90 2cv5 h LEU 48 N 0.85 0.13 -1.56 0.00 3.38 -0.53 -0.81 115.31 116.78 2cv5 h LEU 48 Ca 0.17 -0.18 0.10 0.00 0.09 0.00 0.00 57.88 58.06 2cv5 h LEU 48 Cb 0.46 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 2cv5 h LEU 48 CO 0.02 0.28 0.44 -0.09 0.09 0.00 0.00 178.44 179.18 2cv5 h ARG 49 N -0.02 0.47 -0.22 1.13 2.43 -1.13 -0.01 114.38 117.03 2cv5 h ARG 49 Ca 0.03 -0.03 -0.15 0.00 -0.81 0.00 0.00 59.98 59.03 2cv5 h ARG 49 Cb 0.19 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2cv5 h ARG 49 CO -0.00 0.31 -0.47 0.93 -1.51 0.00 0.00 179.97 179.23 2cv5 h GLU 50 N 0.49 0.58 -0.51 0.20 5.08 -0.42 -2.16 114.58 117.84 2cv5 h GLU 50 Ca 0.31 -0.33 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2cv5 h GLU 50 Cb 0.55 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 2cv5 h GLU 50 CO -0.10 0.93 0.19 0.82 -1.00 0.00 0.00 179.01 179.85 2cv5 h ILE 51 N 0.46 1.22 -0.62 3.13 2.04 0.40 -1.72 117.51 122.42 2cv5 h ILE 51 Ca 0.03 -0.70 -0.06 0.00 1.00 0.00 0.00 64.86 65.12 2cv5 h ILE 51 Cb 1.00 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 37.78 2cv5 h ILE 51 CO 0.09 0.26 0.14 0.03 0.00 0.00 0.00 178.15 178.68 2cv5 h ARG 52 N 0.68 1.00 0.55 2.37 3.08 -1.25 -2.32 114.38 118.49 2cv5 h ARG 52 Ca 0.17 -0.24 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 2cv5 h ARG 52 Cb 0.23 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2cv5 h ARG 52 CO -0.01 0.91 -0.29 -0.09 -1.07 0.00 0.00 179.97 179.42 2cv5 h ARG 53 N 0.91 -0.74 0.00 0.04 2.43 -1.12 -2.89 114.38 113.02 2cv5 h ARG 53 Ca 0.19 0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.38 2cv5 h ARG 53 Cb 0.37 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 2cv5 h ARG 53 CO 0.00 -0.49 -0.17 1.88 -1.51 0.00 0.00 179.97 179.68 2cv5 h TYR 54 N -0.77 0.00 0.00 2.20 0.05 -1.35 -2.72 116.97 114.39 2cv5 h TYR 54 Ca -0.07 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.71 2cv5 h TYR 54 Cb 0.60 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.34 2cv5 h TYR 54 CO -0.06 0.17 -0.06 1.04 -1.05 0.00 0.00 178.16 178.21 2cv5 n GLN 55 N -3.24 0.18 0.01 4.88 6.02 -0.87 -3.02 117.38 121.35 2cv5 n GLN 55 Ca 0.01 0.14 0.02 0.00 -0.01 0.00 0.00 57.00 57.16 2cv5 n GLN 55 Cb 0.47 -1.70 -0.10 0.00 1.02 0.00 0.00 30.24 29.93 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 -2.01 0.64 -2.86 -1.09 4.81 -1.08 -4.95 118.16 111.62 2cv5 n LYS 56 Ca 0.06 0.11 -0.20 0.00 -0.87 0.00 0.00 58.31 57.41 2cv5 n LYS 56 Cb 0.40 -1.72 0.04 0.00 0.02 0.00 0.00 35.03 33.77 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 -5.48 5.24 0.00 3.14 1.04 -1.05 -5.05 113.70 111.54 2cv5 s SER 57 Ca -0.04 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 55.98 2cv5 s SER 57 Cb 0.09 -0.40 0.00 0.00 0.10 0.00 0.00 66.02 65.81 2cv5 s SER 57 CO 0.83 -1.16 0.60 0.35 0.98 0.00 0.00 173.24 174.84 2cv5 n THR 58 N -2.21 0.26 -1.67 2.02 -2.24 -1.26 -4.95 114.28 104.23 2cv5 n THR 58 Ca 0.11 -0.27 -0.31 0.00 -2.27 0.00 0.00 64.05 61.31 2cv5 n THR 58 Cb 0.60 0.93 0.05 0.00 -2.10 0.00 0.00 70.33 69.81 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 -0.26 2.92 0.35 -0.78 4.04 -1.26 -5.00 118.70 118.71 2cv5 s GLU 59 Ca 0.00 0.80 -0.28 0.00 0.04 0.00 0.00 54.97 55.53 2cv5 s GLU 59 Cb 0.00 -2.00 -0.10 0.00 0.02 0.00 0.00 34.13 32.05 2cv5 s GLU 59 CO 0.00 -1.07 1.27 -0.51 -1.84 0.00 0.00 175.26 173.11 2cv5 s LEU 60 N -5.49 4.37 0.00 1.83 1.43 -1.26 -4.94 118.68 114.62 2cv5 s LEU 60 Ca 0.58 2.60 0.21 0.00 -1.03 0.00 0.00 54.13 56.49 2cv5 s LEU 60 Cb -0.13 -3.74 -0.13 0.00 0.03 0.00 0.00 46.19 42.22 2cv5 s LEU 60 CO 0.54 -0.57 0.96 0.18 0.23 0.00 0.00 176.35 177.69 2cv5 n LEU 61 N 0.62 1.44 -4.71 1.79 4.77 -1.26 -4.93 117.00 114.72 2cv5 n LEU 61 Ca 0.01 -0.62 -0.34 0.00 -0.03 0.00 0.00 56.01 55.03 2cv5 n LEU 61 Cb 0.43 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.43 2cv5 n LEU 61 CO 0.57 0.30 -0.30 -0.63 -1.33 0.00 0.00 177.39 176.01 2cv5 s ILE 62 N -2.72 4.40 0.25 -0.08 1.01 -1.26 -5.07 121.20 117.72 2cv5 s ILE 62 Ca 0.12 -0.32 -0.30 0.00 0.00 0.00 0.00 60.65 60.15 2cv5 s ILE 62 Cb 0.17 -2.90 -0.10 0.00 0.01 0.00 0.00 42.46 39.63 2cv5 s ILE 62 CO 0.72 0.52 1.44 -0.13 0.00 0.00 0.00 174.94 177.49 2cv5 s ARG 63 N -1.15 4.27 0.02 2.79 3.00 -1.26 -4.95 118.95 121.66 2cv5 s ARG 63 Ca 0.16 2.30 -0.05 0.00 0.00 0.00 0.00 55.73 58.14 2cv5 s ARG 63 Cb -0.11 -3.11 -0.02 0.00 0.00 0.00 0.00 34.95 31.71 2cv5 s ARG 63 CO 0.06 -0.42 1.08 -0.22 0.00 0.00 0.00 175.30 175.79 2cv5 h LYS 64 N 5.06 -0.08 -0.51 3.54 3.64 -1.98 -2.38 116.57 123.87 2cv5 h LYS 64 Ca -0.46 0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.02 2cv5 h LYS 64 Cb 1.22 0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.97 2cv5 h LYS 64 CO 0.78 -0.05 0.02 1.25 -2.27 0.00 0.00 179.45 179.17 2cv5 h LEU 65 N -0.08 -0.18 -0.32 5.20 5.85 -1.99 0.06 115.31 123.85 2cv5 h LEU 65 Ca 0.01 0.12 0.07 0.00 0.84 0.00 0.00 57.88 58.91 2cv5 h LEU 65 Cb 0.10 0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 2cv5 h LEU 65 CO -0.07 -0.06 -0.10 -0.65 -0.34 0.00 0.00 178.44 177.23 2cv5 h PRO 66 N 0.13 -0.02 0.88 5.25 0.11 -1.96 0.17 132.00 136.56 2cv5 h PRO 66 Ca 0.26 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.33 2cv5 h PRO 66 Cb 0.39 0.01 0.01 0.00 0.11 0.00 0.00 31.00 31.51 2cv5 h PRO 66 CO -0.41 -0.02 -0.44 0.35 -0.21 0.00 0.00 178.00 177.27 2cv5 h PHE 67 N -0.02 -1.15 -0.74 0.65 3.57 -0.81 -2.16 116.94 116.27 2cv5 h PHE 67 Ca 0.16 -0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.80 2cv5 h PHE 67 Cb 0.26 0.39 -0.12 0.00 2.79 0.00 0.00 35.95 39.27 2cv5 h PHE 67 CO -0.31 -0.70 0.11 0.37 -2.23 0.00 0.00 178.31 175.54 2cv5 h GLN 68 N -1.20 0.18 -0.88 1.11 4.15 -0.76 0.69 115.11 118.40 2cv5 h GLN 68 Ca -0.12 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.30 2cv5 h GLN 68 Cb 0.93 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.53 2cv5 h GLN 68 CO 0.18 0.12 0.58 -0.09 -1.93 0.00 0.00 178.83 177.70 2cv5 h ARG 69 N 0.19 1.14 -0.43 1.69 2.43 -0.87 -1.80 114.38 116.74 2cv5 h ARG 69 Ca 0.42 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.40 2cv5 h ARG 69 Cb 0.73 -0.26 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2cv5 h ARG 69 CO -0.57 0.76 -0.19 1.25 -1.51 0.00 0.00 179.97 179.70 2cv5 h LEU 70 N 1.18 0.84 -0.13 3.80 5.85 -0.25 -1.96 115.31 124.63 2cv5 h LEU 70 Ca 0.33 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2cv5 h LEU 70 Cb -0.11 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.69 2cv5 h LEU 70 CO -0.08 1.01 0.06 0.58 -0.34 0.00 0.00 178.44 179.67 2cv5 h VAL 71 N 0.73 1.13 -0.28 1.05 2.07 -0.62 -1.25 116.25 119.09 2cv5 h VAL 71 Ca 0.11 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.25 2cv5 h VAL 71 Cb 0.71 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 2cv5 h VAL 71 CO 0.05 0.12 0.17 0.03 0.02 0.00 0.00 177.57 177.97 2cv5 h ARG 72 N 0.08 0.35 -0.20 1.57 3.08 -1.27 0.01 114.38 118.00 2cv5 h ARG 72 Ca 0.05 -0.02 0.05 0.00 0.07 0.00 0.00 59.98 60.13 2cv5 h ARG 72 Cb 0.14 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.05 2cv5 h ARG 72 CO -0.01 0.23 -0.18 1.49 -1.07 0.00 0.00 179.97 180.44 2cv5 h GLU 73 N 0.36 -0.18 -0.43 0.04 4.81 -1.15 -0.62 114.58 117.42 2cv5 h GLU 73 Ca 0.10 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.36 2cv5 h GLU 73 Cb -0.03 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 2cv5 h GLU 73 CO -0.03 -0.12 0.27 0.82 -0.73 0.00 0.00 179.01 179.21 2cv5 h ILE 74 N -0.19 1.07 -0.77 2.32 2.04 -0.98 -2.38 117.51 118.63 2cv5 h ILE 74 Ca 0.12 -0.19 0.10 0.00 1.00 0.00 0.00 64.86 65.90 2cv5 h ILE 74 Cb 0.37 0.49 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 2cv5 h ILE 74 CO -0.31 0.10 0.50 0.00 0.00 0.00 0.00 178.15 178.44 2cv5 h ALA 75 N 1.17 1.83 -0.85 1.87 0.00 -0.18 -2.02 119.26 121.07 2cv5 h ALA 75 Ca 0.16 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.11 2cv5 h ALA 75 Cb -0.03 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.57 2cv5 h ALA 75 CO -0.06 0.01 0.56 0.37 0.00 0.00 0.00 179.25 180.13 2cv5 h GLN 76 N 0.66 0.98 0.00 0.00 5.75 -0.59 -1.75 115.11 120.16 2cv5 h GLN 76 Ca 0.36 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.80 2cv5 h GLN 76 Cb 0.50 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.83 2cv5 h GLN 76 CO -0.13 0.65 0.00 -0.25 -2.65 0.00 0.00 178.83 176.45 2cv5 n ASP 77 N -4.46 0.00 0.02 -0.69 8.00 -0.76 -3.69 116.55 114.97 2cv5 n ASP 77 Ca 0.12 -0.48 -0.00 0.00 0.71 0.00 0.00 54.79 55.14 2cv5 n ASP 77 Cb 0.15 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.25 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 -0.90 0.00 -4.16 1.24 3.72 -0.69 -5.08 117.46 111.59 2cv5 n PHE 78 Ca 0.08 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.32 2cv5 n PHE 78 Cb 0.04 -0.02 -0.11 0.00 -0.94 0.00 0.00 39.48 38.45 2cv5 n PHE 78 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 2cv5 s LYS 79 N -2.01 0.78 0.36 -1.08 2.47 -1.02 -5.16 119.74 114.08 2cv5 s LYS 79 Ca -0.01 -1.00 0.07 0.00 -1.56 0.00 0.00 55.97 53.47 2cv5 s LYS 79 Cb 0.00 -0.63 -0.01 0.00 -1.46 0.00 0.00 37.83 35.73 2cv5 s LYS 79 CO 0.01 0.12 0.48 0.95 0.16 0.00 0.00 175.35 177.08 2cv5 s THR 80 N -1.72 3.66 -0.60 3.43 -4.23 -1.26 -4.10 115.64 110.82 2cv5 s THR 80 Ca -0.01 -1.04 -0.15 0.00 -1.18 0.00 0.00 61.69 59.31 2cv5 s THR 80 Cb -0.07 -3.26 0.02 0.00 1.34 0.00 0.00 72.50 70.53 2cv5 s THR 80 CO 0.01 -0.11 0.29 -0.67 -0.54 0.00 0.00 174.62 173.61 2cv5 n ASP 81 N -1.68 -1.70 -4.90 3.99 2.03 -1.26 -4.90 116.55 108.12 2cv5 n ASP 81 Ca 0.02 -0.63 -0.31 0.00 0.52 0.00 0.00 54.79 54.40 2cv5 n ASP 81 Cb 0.59 -0.76 -0.04 0.00 -0.72 0.00 0.00 41.12 40.19 2cv5 n ASP 81 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2cv5 s LEU 82 N -6.09 4.25 0.11 -2.67 1.43 -1.26 -5.11 118.68 109.33 2cv5 s LEU 82 Ca 0.21 0.56 0.07 0.00 -1.03 0.00 0.00 54.13 53.94 2cv5 s LEU 82 Cb -0.12 -3.29 -0.04 0.00 0.03 0.00 0.00 46.19 42.77 2cv5 s LEU 82 CO 0.47 0.03 -0.07 -0.13 0.23 0.00 0.00 176.35 176.87 2cv5 s ARG 83 N -2.81 2.23 -0.03 1.70 0.52 -1.26 -5.12 118.95 114.17 2cv5 s ARG 83 Ca 0.41 -0.99 0.06 0.00 -0.52 0.00 0.00 55.73 54.69 2cv5 s ARG 83 Cb -0.12 -2.36 -0.01 0.00 0.52 0.00 0.00 34.95 32.98 2cv5 s ARG 83 CO 0.26 0.51 -0.22 -0.06 0.02 0.00 0.00 175.30 175.81 2cv5 s PHE 84 N -1.27 2.07 0.34 -0.53 0.08 -1.26 -5.12 117.98 112.30 2cv5 s PHE 84 Ca 0.23 -0.48 -0.25 0.00 0.12 0.00 0.00 56.93 56.55 2cv5 s PHE 84 Cb -0.11 -1.35 -0.10 0.00 -0.57 0.00 0.00 43.02 40.89 2cv5 s PHE 84 CO 0.15 -0.10 0.96 -0.65 -0.10 0.00 0.00 175.22 175.49 2cv5 s GLN 85 N -0.36 4.49 0.15 0.44 -0.21 -1.26 -4.95 119.66 117.97 2cv5 s GLN 85 Ca 0.04 1.35 -0.26 0.00 0.02 0.00 0.00 55.36 56.51 2cv5 s GLN 85 Cb -0.10 -2.72 0.01 0.00 1.00 0.00 0.00 33.01 31.20 2cv5 s GLN 85 CO 0.01 0.19 1.59 1.03 -2.12 0.00 0.00 175.29 175.98 2cv5 h SER 86 N 2.98 -1.26 0.04 5.90 0.87 -2.01 -0.44 113.55 119.62 2cv5 h SER 86 Ca -0.47 0.20 -0.01 0.00 -1.23 0.00 0.00 61.79 60.28 2cv5 h SER 86 Cb 1.19 0.56 -0.00 0.00 -0.44 0.00 0.00 62.40 63.71 2cv5 h SER 86 CO 0.64 -0.36 -0.03 0.77 -0.53 0.00 0.00 176.83 177.32 2cv5 h SER 87 N -0.33 0.00 -0.46 6.23 4.64 -1.99 -2.34 113.55 119.29 2cv5 h SER 87 Ca 0.14 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.34 2cv5 h SER 87 Cb 0.57 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.65 2cv5 h SER 87 CO -0.52 0.03 -0.14 0.00 -0.87 0.00 0.00 176.83 175.32 2cv5 h ALA 88 N 1.97 0.81 -0.07 5.18 0.00 -1.46 0.31 119.26 126.00 2cv5 h ALA 88 Ca -0.00 -0.36 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 2cv5 h ALA 88 Cb 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2cv5 h ALA 88 CO 0.00 0.66 -0.62 0.28 0.00 0.00 0.00 179.25 179.57 2cv5 h VAL 89 N 0.84 1.39 -0.18 0.00 2.07 -1.14 -1.99 116.25 117.24 2cv5 h VAL 89 Ca 0.13 -2.01 -0.17 0.00 0.82 0.00 0.00 66.70 65.47 2cv5 h VAL 89 Cb 0.69 2.01 -0.00 0.00 -1.52 0.00 0.00 31.29 32.47 2cv5 h VAL 89 CO 0.05 0.59 -0.58 0.24 0.02 0.00 0.00 177.57 177.89 2cv5 h MET 90 N 0.19 0.56 -0.19 1.57 2.86 -1.22 -1.61 114.93 117.09 2cv5 h MET 90 Ca -0.01 -0.37 -0.01 0.00 -2.06 0.00 0.00 59.70 57.25 2cv5 h MET 90 Cb 1.13 0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.83 2cv5 h MET 90 CO 0.10 0.98 0.09 0.00 1.06 0.00 0.00 176.91 179.14 2cv5 h ALA 91 N 0.94 0.24 -0.59 6.32 0.00 -0.76 0.04 119.26 125.45 2cv5 h ALA 91 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 2cv5 h ALA 91 Cb 1.13 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2cv5 h ALA 91 CO 0.11 -0.19 0.29 -0.07 0.00 0.00 0.00 179.25 179.38 2cv5 h LEU 92 N 0.17 0.74 -0.45 0.00 3.38 -1.26 -1.87 115.31 116.02 2cv5 h LEU 92 Ca 0.06 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 2cv5 h LEU 92 Cb 0.12 -0.19 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2cv5 h LEU 92 CO -0.01 0.63 -0.49 -0.61 0.09 0.00 0.00 178.44 178.05 2cv5 h GLN 93 N 0.83 0.74 -0.57 1.13 4.15 -0.78 -1.09 115.11 119.51 2cv5 h GLN 93 Ca 0.21 -0.43 -0.03 0.00 0.77 0.00 0.00 58.65 59.16 2cv5 h GLN 93 Cb 0.08 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.78 2cv5 h GLN 93 CO -0.03 1.06 0.25 0.93 -1.93 0.00 0.00 178.83 179.11 2cv5 h GLU 94 N 0.58 0.84 -0.59 1.69 4.39 -0.65 -2.07 114.58 118.77 2cv5 h GLU 94 Ca 0.03 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 2cv5 h GLU 94 Cb 1.06 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 29.54 2cv5 h GLU 94 CO 0.10 0.71 0.25 0.00 -1.16 0.00 0.00 179.01 178.91 2cv5 h ALA 95 N 1.09 0.77 0.29 3.43 0.00 -1.18 -1.83 119.26 121.84 2cv5 h ALA 95 Ca 0.19 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2cv5 h ALA 95 Cb 0.17 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2cv5 h ALA 95 CO -0.02 0.37 -0.14 0.00 0.00 0.00 0.00 179.25 179.46 2cv5 h GLU 97 N -0.48 0.22 -0.56 0.00 5.08 -1.38 0.53 114.58 117.99 2cv5 h GLU 97 Ca -0.04 -0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 2cv5 h GLU 97 Cb 0.36 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 2cv5 h GLU 97 CO 0.07 0.14 0.33 0.00 -1.00 0.00 0.00 179.01 178.55 2cv5 h ALA 98 N 1.17 0.72 -0.45 3.43 0.00 -1.22 0.25 119.26 123.15 2cv5 h ALA 98 Ca 0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2cv5 h ALA 98 Cb 0.08 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2cv5 h ALA 98 CO -0.12 0.04 0.18 -0.92 0.00 0.00 0.00 179.25 178.44 2cv5 h TYR 99 N 0.65 0.68 -0.34 0.00 3.20 0.31 -1.32 116.97 120.15 2cv5 h TYR 99 Ca 0.23 -0.05 -0.13 0.00 3.14 0.00 0.00 58.73 61.91 2cv5 h TYR 99 Cb 0.04 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 2cv5 h TYR 99 CO -0.07 0.58 -0.33 -0.07 -1.64 0.00 0.00 178.16 176.64 2cv5 h LEU 100 N 0.58 0.79 -0.35 2.82 3.38 0.64 -1.75 115.31 121.42 2cv5 h LEU 100 Ca 0.15 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 2cv5 h LEU 100 Cb 0.19 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2cv5 h LEU 100 CO -0.01 1.05 0.21 0.58 0.09 0.00 0.00 178.44 180.36 2cv5 h VAL 101 N 0.64 1.12 -0.78 1.22 2.07 -0.36 0.42 116.25 120.58 2cv5 h VAL 101 Ca 0.07 -0.30 -0.05 0.00 0.82 0.00 0.00 66.70 67.24 2cv5 h VAL 101 Cb 0.86 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2cv5 h VAL 101 CO 0.08 0.12 0.29 1.23 0.02 0.00 0.00 177.57 179.31 2cv5 h GLY 102 N 0.46 1.26 1.06 2.17 0.00 -1.15 -2.12 103.07 104.74 2cv5 h GLY 102 Ca 0.13 -0.70 -0.06 0.00 0.00 0.00 0.00 47.33 46.70 2cv5 h GLY 102 CO -0.02 0.66 0.26 -2.00 0.00 0.00 0.00 176.54 175.44 2cv5 h LEU 103 N 1.14 1.10 -1.58 3.11 5.85 -0.90 -1.87 115.31 122.15 2cv5 h LEU 103 Ca 0.26 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2cv5 h LEU 103 Cb 0.24 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2cv5 h LEU 103 CO -0.02 1.00 -0.19 -0.26 -0.34 0.00 0.00 178.44 178.64 2cv5 h PHE 104 N 1.14 0.00 -0.16 1.25 0.04 -0.61 0.67 116.94 119.28 2cv5 h PHE 104 Ca 0.25 0.00 -0.13 0.00 2.80 0.00 0.00 57.97 60.89 2cv5 h PHE 104 Cb 0.28 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.43 2cv5 h PHE 104 CO 0.02 0.19 -0.42 0.93 -0.60 0.00 0.00 178.31 178.43 2cv5 h GLU 105 N 0.00 0.56 -0.44 1.51 5.08 -0.69 -1.17 114.58 119.43 2cv5 h GLU 105 Ca -0.00 -0.39 -0.14 0.00 -1.00 0.00 0.00 59.36 57.82 2cv5 h GLU 105 Cb 0.51 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 2cv5 h GLU 105 CO 0.02 1.01 -0.28 -0.44 -1.00 0.00 0.00 179.01 178.33 2cv5 h ASP 106 N 0.20 1.01 -0.53 1.42 3.32 -1.01 -2.39 116.42 118.44 2cv5 h ASP 106 Ca -0.01 -0.42 0.03 0.00 0.02 0.00 0.00 57.03 56.65 2cv5 h ASP 106 Cb 1.03 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 40.27 2cv5 h ASP 106 CO 0.09 1.22 0.31 0.74 -1.72 0.00 0.00 179.24 179.88 2cv5 h THR 107 N 0.81 1.04 -0.87 0.35 2.02 -0.87 -1.51 112.91 113.88 2cv5 h THR 107 Ca 0.09 -0.21 0.03 0.00 0.77 0.00 0.00 66.41 67.09 2cv5 h THR 107 Cb 0.87 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 2cv5 h THR 107 CO 0.08 0.11 0.57 -1.13 0.37 0.00 0.00 175.52 175.52 2cv5 h ASN 108 N 0.61 0.95 0.03 4.18 -1.24 -0.97 -0.71 115.58 118.43 2cv5 h ASN 108 Ca 0.22 -0.01 -0.09 0.00 0.71 0.00 0.00 56.30 57.13 2cv5 h ASN 108 Cb 0.04 -0.23 -0.01 0.00 0.73 0.00 0.00 38.32 38.86 2cv5 h ASN 108 CO -0.11 0.66 -0.26 -0.07 -1.29 0.00 0.00 177.43 176.37 2cv5 h LEU 109 N 1.11 0.37 -0.44 0.34 3.38 -0.80 -0.53 115.31 118.75 2cv5 h LEU 109 Ca 0.34 -0.12 -0.18 0.00 0.09 0.00 0.00 57.88 58.01 2cv5 h LEU 109 Cb -0.02 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 2cv5 h LEU 109 CO -0.09 0.63 -0.64 0.00 0.09 0.00 0.00 178.44 178.43 2cv5 h ALA 111 N 0.91 -0.04 -0.00 0.00 0.00 -0.84 -2.69 119.26 116.60 2cv5 h ALA 111 Ca -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2cv5 h ALA 111 Cb 1.20 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.01 2cv5 h ALA 111 CO 0.12 -0.32 -0.07 0.82 0.00 0.00 0.00 179.25 179.80 2cv5 h ILE 112 N -0.44 1.05 0.00 0.00 2.04 -1.10 -0.38 117.51 118.69 2cv5 h ILE 112 Ca -0.00 -0.25 -0.06 0.00 1.00 0.00 0.00 64.86 65.55 2cv5 h ILE 112 Cb 0.41 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 2cv5 h ILE 112 CO 0.01 0.07 -0.28 -0.74 0.00 0.00 0.00 178.15 177.21 2cv5 h HIS 113 N 0.00 0.00 -0.49 1.37 2.76 -0.85 -2.56 115.15 115.38 2cv5 h HIS 113 Ca 0.00 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.12 2cv5 h HIS 113 Cb 0.13 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.06 2cv5 h HIS 113 CO 0.00 0.28 0.06 0.00 -1.30 0.00 0.00 177.93 176.97 2cv5 n ALA 114 N -2.40 3.75 -1.35 5.26 0.00 -0.20 -4.90 120.51 120.67 2cv5 n ALA 114 Ca -0.02 -1.59 -0.12 0.00 0.00 0.00 0.00 53.44 51.71 2cv5 n ALA 114 Cb 0.36 -1.13 -0.05 0.00 0.00 0.00 0.00 19.45 18.63 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 0.34 -0.91 -4.16 0.00 4.76 -0.96 -5.01 118.16 112.22 2cv5 n LYS 115 Ca 0.25 0.92 -0.25 0.00 -2.87 0.00 0.00 58.31 56.35 2cv5 n LYS 115 Cb 1.05 -4.96 -0.07 0.00 -1.84 0.00 0.00 35.03 29.21 2cv5 n LYS 115 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2cv5 s ARG 116 N -2.99 2.22 0.00 1.97 0.52 -0.92 -5.02 118.95 114.73 2cv5 s ARG 116 Ca 0.00 -1.89 0.00 0.00 -0.52 0.00 0.00 55.73 53.32 2cv5 s ARG 116 Cb 0.00 -1.96 0.00 0.00 0.52 0.00 0.00 34.95 33.51 2cv5 s ARG 116 CO 0.00 -0.15 0.35 0.28 0.02 0.00 0.00 175.30 175.80 2cv5 n VAL 117 N -1.26 0.06 -4.16 3.52 0.31 -1.26 -3.33 118.33 112.21 2cv5 n VAL 117 Ca -0.02 -0.33 -0.34 0.00 -0.01 0.00 0.00 64.34 63.64 2cv5 n VAL 117 Cb 0.65 1.33 -0.14 0.00 -0.91 0.00 0.00 33.84 34.77 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 -0.06 3.30 0.36 2.52 2.01 -1.26 -5.00 115.64 117.51 2cv5 s THR 118 Ca 0.00 -0.53 -0.25 0.00 0.31 0.00 0.00 61.69 61.22 2cv5 s THR 118 Cb 0.00 -2.47 -0.09 0.00 0.01 0.00 0.00 72.50 69.95 2cv5 s THR 118 CO 0.00 0.46 1.01 0.27 -0.69 0.00 0.00 174.62 175.67 2cv5 s ILE 119 N 1.10 3.89 0.13 1.82 -4.36 -1.26 -4.89 121.20 117.64 2cv5 s ILE 119 Ca 0.01 1.52 0.03 0.00 -0.26 0.00 0.00 60.65 61.95 2cv5 s ILE 119 Cb -0.15 -3.82 -0.04 0.00 1.25 0.00 0.00 42.46 39.70 2cv5 s ILE 119 CO -0.01 0.08 -0.08 -0.04 0.24 0.00 0.00 174.94 175.13 2cv5 s MET 120 N -2.26 0.98 0.38 0.37 -1.94 -1.26 -5.01 119.30 110.55 2cv5 s MET 120 Ca 0.54 -1.41 0.17 0.00 -1.71 0.00 0.00 55.69 53.28 2cv5 s MET 120 Cb -0.21 -0.43 1.08 0.00 2.01 0.00 0.00 34.83 37.28 2cv5 s MET 120 CO 0.27 0.02 1.75 -1.35 -0.01 0.00 0.00 175.02 175.70 2cv5 h PRO 121 N 2.84 0.40 -0.82 2.03 0.11 -2.00 0.49 132.00 135.05 2cv5 h PRO 121 Ca -0.36 -0.02 0.12 0.00 0.11 0.00 0.00 66.00 65.85 2cv5 h PRO 121 Cb 1.18 -0.09 -0.06 0.00 0.11 0.00 0.00 31.00 32.14 2cv5 h PRO 121 CO 0.64 0.27 0.54 -0.22 -0.21 0.00 0.00 178.00 179.01 2cv5 h LYS 122 N 0.41 0.65 -0.15 1.05 3.64 -1.99 -0.43 116.57 119.75 2cv5 h LYS 122 Ca 0.63 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.86 2cv5 h LYS 122 Cb 1.52 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.20 2cv5 h LYS 122 CO -0.36 0.43 -0.34 -0.44 -2.27 0.00 0.00 179.45 176.47 2cv5 h ASP 123 N 0.67 0.56 -0.66 4.20 3.32 -0.37 -2.03 116.42 122.12 2cv5 h ASP 123 Ca 0.40 -0.57 -0.03 0.00 0.02 0.00 0.00 57.03 56.85 2cv5 h ASP 123 Cb 0.61 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 2cv5 h ASP 123 CO -0.16 1.03 0.29 0.40 -1.72 0.00 0.00 179.24 179.07 2cv5 h ILE 124 N 0.12 1.23 -0.27 0.35 2.04 -1.27 -2.23 117.51 117.49 2cv5 h ILE 124 Ca 0.00 -0.70 -0.04 0.00 1.00 0.00 0.00 64.86 65.12 2cv5 h ILE 124 Cb 0.94 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 2cv5 h ILE 124 CO 0.07 0.29 0.03 1.56 0.00 0.00 0.00 178.15 180.10 2cv5 h GLN 125 N 0.98 0.45 -0.38 2.37 4.20 -1.05 -1.54 115.11 120.15 2cv5 h GLN 125 Ca 0.23 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 2cv5 h GLN 125 Cb 0.16 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.88 2cv5 h GLN 125 CO -0.02 0.58 0.23 1.25 -0.67 0.00 0.00 178.83 180.20 2cv5 h LEU 126 N 0.25 0.45 -0.96 1.46 5.85 -1.19 -0.62 115.31 120.55 2cv5 h LEU 126 Ca 0.08 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.78 2cv5 h LEU 126 Cb 0.36 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.22 2cv5 h LEU 126 CO 0.01 0.37 0.63 0.00 -0.34 0.00 0.00 178.44 179.10 2cv5 h ALA 127 N 1.10 1.26 0.00 1.25 0.00 -1.32 -1.07 119.26 120.49 2cv5 h ALA 127 Ca 0.14 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 2cv5 h ALA 127 Cb -0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2cv5 h ALA 127 CO -0.03 0.53 -0.60 0.00 0.00 0.00 0.00 179.25 179.15 2cv5 h ARG 128 N 1.23 0.00 0.08 0.00 3.08 -1.03 -1.87 114.38 115.87 2cv5 h ARG 128 Ca 0.38 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.42 2cv5 h ARG 128 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2cv5 h ARG 128 CO -0.11 0.60 -0.04 -0.09 -1.07 0.00 0.00 179.97 179.26 2cv5 h ARG 129 N 0.00 -0.11 0.00 0.04 9.65 -0.21 -0.94 114.38 122.81 2cv5 h ARG 129 Ca -0.01 0.01 -0.09 0.00 -1.10 0.00 0.00 59.98 58.80 2cv5 h ARG 129 Cb 1.28 0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 29.87 2cv5 h ARG 129 CO 0.08 0.09 -0.41 0.82 2.80 0.00 0.00 179.97 183.35 2cv5 h ILE 130 N -0.29 1.20 0.00 1.20 2.04 -1.18 -2.32 117.51 118.16 2cv5 h ILE 130 Ca -0.01 -1.44 0.00 0.00 1.00 0.00 0.00 64.86 64.41 2cv5 h ILE 130 Cb 0.25 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.12 2cv5 h ILE 130 CO 0.02 0.40 0.00 0.54 0.00 0.00 0.00 178.15 179.11 2cv5 n ARG 131 N -3.92 0.37 -1.01 2.37 1.74 -0.71 -4.84 116.66 110.66 2cv5 n ARG 131 Ca -0.01 0.07 -0.00 0.00 -0.77 0.00 0.00 57.85 57.13 2cv5 n ARG 131 Cb 0.45 -1.50 -0.00 0.00 -1.02 0.00 0.00 32.46 30.39 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 0.48 0.45 0.09 -0.13 0.00 -0.87 -4.89 105.19 100.31 2cv5 n GLY 132 Ca 0.11 -0.53 0.15 0.00 0.00 0.00 0.00 46.02 45.75 2cv5 n GLY 132 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2cv5 n GLU 133 N -2.94 0.71 0.00 1.61 1.02 -0.37 -5.04 120.64 115.62 2cv5 n GLU 133 Ca -0.00 -0.18 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 2cv5 n GLU 133 Cb 0.02 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 29.94 2cv5 n GLU 133 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85