#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2vhp n ILE 6 N 0.00 2.31 -0.62 5.15 5.41 -0.22 -4.20 119.36 127.20 2vhp n ILE 6 Ca 0.00 -5.10 -0.24 0.00 1.00 0.00 0.00 62.75 58.41 2vhp n ILE 6 Cb 0.00 -2.18 -0.03 0.00 -0.71 0.00 0.00 39.64 36.72 2vhp n ILE 6 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2vhp n ARG 7 N 1.54 1.20 -2.33 0.38 0.63 0.16 -3.02 116.66 115.21 2vhp n ARG 7 Ca 0.24 -1.25 -0.40 0.00 -0.92 0.00 0.00 57.85 55.52 2vhp n ARG 7 Cb 0.37 -2.45 -0.03 0.00 0.45 0.00 0.00 32.46 30.80 2vhp n ARG 7 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 2vhp s ILE 8 N 4.57 3.17 -0.05 5.15 -5.25 -1.26 -2.51 121.20 125.01 2vhp s ILE 8 Ca 0.37 1.18 0.04 0.00 -0.99 0.00 0.00 60.65 61.25 2vhp s ILE 8 Cb 0.09 -3.75 -0.00 0.00 2.95 0.00 0.00 42.46 41.75 2vhp s ILE 8 CO 0.05 0.28 -0.18 -0.13 -1.79 0.00 0.00 174.94 173.17 2vhp s ARG 9 N -1.61 1.97 0.23 0.37 1.81 -1.23 -4.16 118.95 116.33 2vhp s ARG 9 Ca 0.46 -0.64 0.07 0.00 -1.72 0.00 0.00 55.73 53.90 2vhp s ARG 9 Cb -0.35 -1.67 -0.04 0.00 -0.45 0.00 0.00 34.95 32.45 2vhp s ARG 9 CO 0.46 0.23 0.17 -0.51 -0.68 0.00 0.00 175.30 174.96 2vhp s LEU 10 N 0.12 3.76 -0.29 2.53 1.43 -0.92 -1.88 118.68 123.43 2vhp s LEU 10 Ca -0.07 -0.25 -0.04 0.00 -1.03 0.00 0.00 54.13 52.74 2vhp s LEU 10 Cb -0.13 -2.31 0.19 0.00 0.03 0.00 0.00 46.19 43.97 2vhp s LEU 10 CO 0.03 -0.01 0.86 -0.54 0.23 0.00 0.00 176.35 176.92 2vhp s LYS 11 N -3.65 0.32 0.34 1.70 1.02 -1.23 -4.20 119.74 114.04 2vhp s LYS 11 Ca 0.32 0.31 0.08 0.00 0.02 0.00 0.00 55.97 56.70 2vhp s LYS 11 Cb -0.08 0.14 -0.07 0.00 -0.52 0.00 0.00 37.83 37.30 2vhp s LYS 11 CO 0.24 -0.59 -0.05 0.00 -0.92 0.00 0.00 175.35 174.03 2vhp s ALA 12 N 2.90 2.80 -1.03 5.17 0.00 -0.59 -2.06 121.76 128.95 2vhp s ALA 12 Ca 0.20 -2.09 0.11 0.00 0.00 0.00 0.00 51.96 50.18 2vhp s ALA 12 Cb -0.05 0.13 0.50 0.00 0.00 0.00 0.00 23.12 23.70 2vhp s ALA 12 CO -0.24 -0.04 1.33 1.19 0.00 0.00 0.00 175.76 178.00 2vhp n PHE 13 N -0.77 1.12 -3.76 0.00 0.99 -1.26 -2.80 117.46 110.98 2vhp n PHE 13 Ca -0.05 -0.42 -0.02 0.00 -0.00 0.00 0.00 57.45 56.96 2vhp n PHE 13 Cb 0.65 -0.24 -0.00 0.00 -1.00 0.00 0.00 39.48 38.88 2vhp n PHE 13 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2vhp s ASP 14 N -0.68 -0.09 -0.16 4.37 2.15 -1.26 -4.92 116.67 116.07 2vhp s ASP 14 Ca 0.35 -0.37 0.04 0.00 0.43 0.00 0.00 52.55 53.00 2vhp s ASP 14 Cb 0.24 0.38 -0.13 0.00 -0.30 0.00 0.00 42.92 43.11 2vhp s ASP 14 CO 0.15 -0.71 -0.10 0.00 -0.17 0.00 0.00 175.17 174.33 2vhp n HIS 15 N -0.55 0.00 0.94 -5.34 1.44 -1.26 -3.58 115.22 106.87 2vhp n HIS 15 Ca -0.06 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.65 2vhp n HIS 15 Cb 0.61 -0.67 0.00 0.00 0.12 0.00 0.00 29.99 30.05 2vhp n HIS 15 CO 0.00 0.00 0.00 -2.13 -2.81 0.00 0.00 176.34 171.40 2vhp n ARG 16 N -2.87 0.47 0.00 -1.40 0.63 -1.26 -0.67 116.66 111.56 2vhp n ARG 16 Ca -0.28 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.65 2vhp n ARG 16 Cb 0.86 -1.00 0.00 0.00 0.45 0.00 0.00 32.46 32.77 2vhp n ARG 16 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 2vhp n LEU 17 N -0.50 0.00 -1.51 6.15 -0.00 -1.26 -4.42 117.00 115.46 2vhp n LEU 17 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 56.01 56.11 2vhp n LEU 17 Cb 0.00 0.00 0.35 0.00 -0.00 0.00 0.00 43.42 43.77 2vhp n LEU 17 CO 0.00 0.00 0.80 0.00 -0.00 0.00 0.00 177.39 178.19 2vhp n ILE 18 N -1.40 1.48 0.00 1.96 3.06 0.15 -2.75 119.36 121.87 2vhp n ILE 18 Ca 0.00 -1.10 0.00 0.00 -2.50 0.00 0.00 62.75 59.15 2vhp n ILE 18 Cb 0.17 0.28 0.00 0.00 0.54 0.00 0.00 39.64 40.63 2vhp n ILE 18 CO 0.00 0.00 0.00 0.47 -2.50 0.00 0.00 176.55 174.52 2vhp n ASP 19 N 1.37 3.19 0.01 9.51 10.43 -0.17 -3.90 116.55 137.00 2vhp n ASP 19 Ca 0.25 0.00 0.11 0.00 2.57 0.00 0.00 54.79 57.73 2vhp n ASP 19 Cb 0.78 0.63 0.05 0.00 1.84 0.00 0.00 41.12 44.43 2vhp n ASP 19 CO 0.00 0.00 0.00 1.67 -1.07 0.00 0.00 177.20 177.80 2vhp n GLN 20 N -0.96 0.14 -0.04 -1.24 7.27 -1.26 -3.31 117.38 117.98 2vhp n GLN 20 Ca 0.00 -0.00 0.06 0.00 0.07 0.00 0.00 57.00 57.12 2vhp n GLN 20 Cb 0.00 -1.54 0.07 0.00 2.41 0.00 0.00 30.24 31.18 2vhp n GLN 20 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2vhp n ALA 21 N -1.66 2.42 -0.11 1.69 0.00 -1.11 -4.52 120.51 117.22 2vhp n ALA 21 Ca 0.03 -0.71 -0.13 0.00 0.00 0.00 0.00 53.44 52.63 2vhp n ALA 21 Cb 0.38 -0.40 -0.14 0.00 0.00 0.00 0.00 19.45 19.29 2vhp n ALA 21 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2vhp n THR 22 N 0.61 1.44 1.39 0.00 5.66 -1.25 -4.26 114.28 117.87 2vhp n THR 22 Ca 0.08 -0.74 0.08 0.00 -3.05 0.00 0.00 64.05 60.43 2vhp n THR 22 Cb 0.31 -0.88 0.50 0.00 -1.55 0.00 0.00 70.33 68.71 2vhp n THR 22 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2vhp n ALA 23 N -2.96 2.29 0.82 1.79 0.00 -1.21 0.12 120.51 121.36 2vhp n ALA 23 Ca -0.38 -0.11 0.09 0.00 0.00 0.00 0.00 53.44 53.05 2vhp n ALA 23 Cb 1.09 -1.27 0.03 0.00 0.00 0.00 0.00 19.45 19.29 2vhp n ALA 23 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2vhp n GLU 24 N -0.88 1.58 0.05 0.00 4.07 -1.26 -3.57 120.64 120.63 2vhp n GLU 24 Ca 0.13 -1.15 -0.02 0.00 -0.06 0.00 0.00 57.16 56.06 2vhp n GLU 24 Cb 0.06 -1.36 -0.08 0.00 -0.06 0.00 0.00 31.44 30.00 2vhp n GLU 24 CO 0.00 0.00 0.00 0.82 -0.06 0.00 0.00 177.13 177.89 2vhp h ILE 25 N 2.66 0.77 0.00 6.31 1.08 -0.51 -3.37 117.51 124.45 2vhp h ILE 25 Ca 0.00 -2.33 0.00 0.00 -0.39 0.00 0.00 64.86 62.14 2vhp h ILE 25 Cb 0.69 2.27 0.00 0.00 -3.07 0.00 0.00 36.82 36.71 2vhp h ILE 25 CO 0.00 0.44 -0.97 0.52 -0.69 0.00 0.00 178.15 177.44 2vhp n VAL 26 N -3.03 0.00 0.78 1.67 0.31 -1.14 -3.53 118.33 113.39 2vhp n VAL 26 Ca -0.08 -0.09 0.10 0.00 -0.01 0.00 0.00 64.34 64.26 2vhp n VAL 26 Cb 0.87 0.91 -0.13 0.00 -0.91 0.00 0.00 33.84 34.59 2vhp n VAL 26 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 2vhp n GLU 27 N -1.51 0.22 0.00 5.55 0.28 -1.23 -4.07 120.64 119.88 2vhp n GLU 27 Ca 0.03 -0.04 0.02 0.00 -0.16 0.00 0.00 57.16 57.00 2vhp n GLU 27 Cb 0.31 -1.49 0.01 0.00 1.43 0.00 0.00 31.44 31.70 2vhp n GLU 27 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2vhp n THR 28 N -1.65 0.00 -0.02 3.84 -1.04 -1.26 -4.45 114.28 109.70 2vhp n THR 28 Ca 0.02 -0.50 0.00 0.00 -2.04 0.00 0.00 64.05 61.54 2vhp n THR 28 Cb 0.37 1.06 0.00 0.00 -1.82 0.00 0.00 70.33 69.94 2vhp n THR 28 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2vhp n ALA 29 N 0.09 1.91 0.07 2.41 0.00 -1.23 -4.48 120.51 119.28 2vhp n ALA 29 Ca 0.02 -0.10 0.02 0.00 0.00 0.00 0.00 53.44 53.37 2vhp n ALA 29 Cb 0.08 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.49 2vhp n ALA 29 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2vhp h LYS 30 N 0.00 0.00 -1.99 0.00 3.11 -1.80 -3.07 116.57 112.82 2vhp h LYS 30 Ca 0.00 0.00 -0.67 0.00 -2.81 0.00 0.00 60.65 57.17 2vhp h LYS 30 Cb 0.01 0.00 -0.24 0.00 -1.00 0.00 0.00 32.23 31.00 2vhp h LYS 30 CO 0.00 0.32 0.82 0.54 -2.81 0.00 0.00 179.45 178.32 2vhp n ARG 31 N -2.97 2.62 0.06 1.90 1.74 -1.26 -4.48 116.66 114.26 2vhp n ARG 31 Ca -0.05 -3.09 0.00 0.00 -0.77 0.00 0.00 57.85 53.94 2vhp n ARG 31 Cb 0.77 -2.22 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 2vhp n ARG 31 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2vhp n THR 32 N -0.04 0.00 -2.08 0.55 5.66 -1.26 -5.01 114.28 112.10 2vhp n THR 32 Ca 0.52 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 61.24 2vhp n THR 32 Cb 0.35 0.00 0.05 0.00 -1.55 0.00 0.00 70.33 69.18 2vhp n THR 32 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2vhp s GLY 33 N -1.63 1.63 0.00 1.09 0.00 -1.16 -4.75 107.32 102.49 2vhp s GLY 33 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 44.72 44.12 2vhp s GLY 33 CO 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 173.10 172.87 2vhp n ALA 34 N -2.94 0.00 -0.08 3.20 0.00 -1.25 -4.55 120.51 114.88 2vhp n ALA 34 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.59 2vhp n ALA 34 Cb 0.59 0.00 0.44 0.00 0.00 0.00 0.00 19.45 20.47 2vhp n ALA 34 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2vhp h GLN 35 N 0.00 0.53 -2.78 0.00 4.15 -1.92 -3.46 115.11 111.63 2vhp h GLN 35 Ca 0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2vhp h GLN 35 Cb 0.00 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 27.57 2vhp h GLN 35 CO 0.00 0.35 -0.62 0.28 -1.93 0.00 0.00 178.83 176.91 2vhp n VAL 36 N -4.47 -5.47 0.00 2.39 0.31 -1.26 -5.04 118.33 104.79 2vhp n VAL 36 Ca 0.08 1.84 0.00 0.00 -0.01 0.00 0.00 64.34 66.25 2vhp n VAL 36 Cb 0.24 -3.03 0.00 0.00 -0.91 0.00 0.00 33.84 30.14 2vhp n VAL 36 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2vhp n ARG 37 N 0.43 0.00 -3.64 5.55 0.00 -1.26 -4.87 116.66 112.87 2vhp n ARG 37 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.74 2vhp n ARG 37 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 32.46 32.39 2vhp n ARG 37 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2vhp s GLY 38 N 0.00 -0.28 -0.34 5.14 0.00 -1.23 -5.03 107.32 105.58 2vhp s GLY 38 Ca 0.00 2.48 -0.29 0.00 0.00 0.00 0.00 44.72 46.91 2vhp s GLY 38 CO 0.00 1.84 1.44 -4.14 0.00 0.00 0.00 173.10 172.23 2vhp s PRO 39 N 0.33 3.71 -0.28 2.90 0.02 -1.26 -0.93 135.00 139.48 2vhp s PRO 39 Ca 0.02 1.19 0.02 0.00 0.02 0.00 0.00 61.00 62.25 2vhp s PRO 39 Cb -0.05 -3.99 0.06 0.00 0.02 0.00 0.00 34.50 30.54 2vhp s PRO 39 CO -0.04 -1.40 -0.07 0.96 -0.33 0.00 0.00 177.00 176.12 2vhp s ILE 40 N 5.15 2.32 0.00 2.83 -4.36 -1.26 -4.95 121.20 120.93 2vhp s ILE 40 Ca 0.63 -1.67 0.00 0.00 -0.26 0.00 0.00 60.65 59.34 2vhp s ILE 40 Cb -0.17 -2.40 0.00 0.00 1.25 0.00 0.00 42.46 41.14 2vhp s ILE 40 CO 0.29 -0.10 0.43 -0.81 0.24 0.00 0.00 174.94 174.98 2vhp n PRO 41 N 4.45 0.00 -0.54 0.37 -0.04 -1.26 -4.16 135.00 133.81 2vhp n PRO 41 Ca -0.12 -0.12 -0.04 0.00 -0.04 0.00 0.00 63.50 63.19 2vhp n PRO 41 Cb 0.42 -1.31 0.03 0.00 -0.04 0.00 0.00 33.50 32.60 2vhp n PRO 41 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2vhp n LEU 42 N 3.05 0.00 -4.77 1.53 4.32 -1.23 -4.96 117.00 114.94 2vhp n LEU 42 Ca 0.00 -0.10 -0.38 0.00 -0.02 0.00 0.00 56.01 55.51 2vhp n LEU 42 Cb 0.00 -0.46 -0.06 0.00 -1.62 0.00 0.00 43.42 41.28 2vhp n LEU 42 CO 0.21 -1.92 0.65 -2.16 -1.22 0.00 0.00 177.39 172.96 2vhp s PRO 43 N -2.05 4.66 -0.42 3.23 0.04 -1.26 -4.85 135.00 134.35 2vhp s PRO 43 Ca 0.08 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.50 2vhp s PRO 43 Cb -0.01 -2.94 0.12 0.00 0.04 0.00 0.00 34.50 31.70 2vhp s PRO 43 CO 0.07 0.35 0.19 0.99 0.04 0.00 0.00 177.00 178.63 2vhp s THR 44 N -1.49 2.92 -0.72 1.26 2.01 -1.26 -4.58 115.64 113.79 2vhp s THR 44 Ca 0.48 -2.40 -0.20 0.00 0.31 0.00 0.00 61.69 59.87 2vhp s THR 44 Cb -0.21 -3.04 -0.16 0.00 0.01 0.00 0.00 72.50 69.11 2vhp s THR 44 CO 0.26 -0.70 1.91 0.54 -0.69 0.00 0.00 174.62 175.94 2vhp n ARG 45 N 4.18 1.44 -2.35 4.92 1.74 -1.26 -4.83 116.66 120.50 2vhp n ARG 45 Ca 0.02 -1.69 -0.36 0.00 -0.77 0.00 0.00 57.85 55.04 2vhp n ARG 45 Cb 0.40 -2.80 -0.03 0.00 -1.02 0.00 0.00 32.46 29.02 2vhp n ARG 45 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2vhp s LYS 46 N 4.92 3.31 -0.46 5.56 1.02 -1.26 -4.70 119.74 128.12 2vhp s LYS 46 Ca 0.54 -1.60 -0.28 0.00 0.02 0.00 0.00 55.97 54.66 2vhp s LYS 46 Cb 0.14 -5.40 -0.01 0.00 -0.52 0.00 0.00 37.83 32.03 2vhp s LYS 46 CO 0.11 -3.03 1.69 -1.83 -0.92 0.00 0.00 175.35 171.37 2vhp s GLU 47 N 5.26 3.17 0.50 1.68 1.03 -1.25 -4.81 118.70 124.28 2vhp s GLU 47 Ca 0.60 0.95 -0.17 0.00 0.03 0.00 0.00 54.97 56.38 2vhp s GLU 47 Cb 0.02 -4.21 -0.08 0.00 -0.80 0.00 0.00 34.13 29.05 2vhp s GLU 47 CO 0.10 -2.07 0.99 -0.98 -1.33 0.00 0.00 175.26 171.96 2vhp s ARG 48 N 5.91 3.95 0.00 -4.83 1.70 -1.26 -3.71 118.95 120.71 2vhp s ARG 48 Ca 0.68 1.02 0.08 0.00 -0.47 0.00 0.00 55.73 57.05 2vhp s ARG 48 Cb -0.16 -2.13 -0.02 0.00 -0.57 0.00 0.00 34.95 32.06 2vhp s ARG 48 CO 0.28 -0.27 -0.25 -0.06 -1.08 0.00 0.00 175.30 173.92 2vhp s PHE 49 N -2.50 2.25 -0.45 5.89 0.08 0.23 -4.93 117.98 118.56 2vhp s PHE 49 Ca 0.60 -0.42 0.02 0.00 0.12 0.00 0.00 56.93 57.25 2vhp s PHE 49 Cb -0.10 -1.42 0.14 0.00 -0.57 0.00 0.00 43.02 41.07 2vhp s PHE 49 CO 0.28 0.01 0.26 0.99 -0.10 0.00 0.00 175.22 176.66 2vhp s THR 50 N -0.66 1.32 0.40 0.64 2.01 -1.26 0.15 115.64 118.25 2vhp s THR 50 Ca 0.10 -2.60 0.08 0.00 0.31 0.00 0.00 61.69 59.58 2vhp s THR 50 Cb -0.10 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.46 2vhp s THR 50 CO -0.00 -0.93 0.29 0.54 -0.69 0.00 0.00 174.62 173.82 2vhp s VAL 51 N 0.28 2.69 0.21 3.82 0.11 -1.22 -4.87 120.40 121.42 2vhp s VAL 51 Ca 0.19 -1.49 -0.30 0.00 -2.93 0.00 0.00 61.98 57.46 2vhp s VAL 51 Cb -0.21 -3.01 -0.08 0.00 -1.53 0.00 0.00 36.38 31.54 2vhp s VAL 51 CO -0.02 -0.04 1.05 -0.76 -3.33 0.00 0.00 175.10 172.00 2vhp s LEU 52 N -4.02 4.54 0.14 2.54 1.02 -1.26 -1.59 118.68 120.05 2vhp s LEU 52 Ca 0.44 2.08 0.14 0.00 0.02 0.00 0.00 54.13 56.81 2vhp s LEU 52 Cb -0.01 -3.61 -0.09 0.00 0.02 0.00 0.00 46.19 42.50 2vhp s LEU 52 CO 0.26 -0.10 1.11 -0.29 0.02 0.00 0.00 176.35 177.34 2vhp h ILE 53 N 3.47 0.88 -3.22 -0.59 2.10 -1.86 -3.44 117.51 114.86 2vhp h ILE 53 Ca -0.45 -2.40 -0.54 0.00 1.08 0.00 0.00 64.86 62.55 2vhp h ILE 53 Cb 1.21 2.36 -0.37 0.00 -1.09 0.00 0.00 36.82 38.92 2vhp h ILE 53 CO 0.70 0.50 -0.80 -0.55 -1.08 0.00 0.00 178.15 176.92 2vhp s SER 54 N -6.22 2.39 0.32 2.19 0.15 -1.26 -4.93 113.70 106.35 2vhp s SER 54 Ca 0.00 -0.41 -0.29 0.00 0.70 0.00 0.00 55.95 55.95 2vhp s SER 54 Cb 0.08 -0.88 -0.12 0.00 -1.71 0.00 0.00 66.02 63.39 2vhp s SER 54 CO 0.79 -0.13 1.40 -0.81 1.20 0.00 0.00 173.24 175.69 2vhp n PRO 55 N 4.91 2.31 -2.01 5.44 -0.04 -1.26 -4.50 135.00 139.86 2vhp n PRO 55 Ca -0.13 0.81 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 2vhp n PRO 55 Cb 0.49 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.48 2vhp n PRO 55 CO 0.00 0.00 0.00 1.58 -0.04 0.00 0.00 175.50 177.04 2vhp n HIS 56 N 0.95 -4.45 -2.09 0.54 -0.00 -1.26 -4.96 115.22 103.96 2vhp n HIS 56 Ca 0.06 2.67 0.14 0.00 -0.00 0.00 0.00 57.72 60.59 2vhp n HIS 56 Cb 0.36 -3.58 -0.04 0.00 -0.00 0.00 0.00 29.99 26.74 2vhp n HIS 56 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 176.34 177.89 2vhp n VAL 57 N 1.69 0.00 -1.93 3.57 3.14 -1.26 -5.04 118.33 118.50 2vhp n VAL 57 Ca 0.00 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.37 2vhp n VAL 57 Cb 0.00 -0.36 0.00 0.00 -1.06 0.00 0.00 33.84 32.42 2vhp n VAL 57 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 2vhp n ASN 58 N -3.72 -4.04 -0.03 6.55 3.02 -1.26 -4.76 115.26 111.02 2vhp n ASN 58 Ca 0.01 0.37 -0.15 0.00 -0.03 0.00 0.00 54.58 54.77 2vhp n ASN 58 Cb 0.48 -2.48 -0.13 0.00 -0.61 0.00 0.00 39.78 37.04 2vhp n ASN 58 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 2vhp h LYS 59 N 0.90 0.10 0.00 3.52 2.10 -1.96 -3.21 116.57 118.02 2vhp h LYS 59 Ca 0.00 -0.15 0.00 0.00 -2.00 0.00 0.00 60.65 58.50 2vhp h LYS 59 Cb 0.13 0.05 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 2vhp h LYS 59 CO 0.05 1.02 0.08 -0.25 -2.00 0.00 0.00 179.45 178.35 2vhp n ASP 60 N -4.49 0.00 -2.50 7.07 9.92 -1.26 -4.43 116.55 120.86 2vhp n ASP 60 Ca -0.11 0.21 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 2vhp n ASP 60 Cb 0.55 -0.21 0.00 0.00 -0.64 0.00 0.00 41.12 40.82 2vhp n ASP 60 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2vhp n ALA 61 N -1.16 0.00 -0.38 2.24 0.00 -1.21 -5.03 120.51 114.97 2vhp n ALA 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2vhp n ALA 61 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 2vhp n ALA 61 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2vhp n ARG 62 N 0.00 -1.08 -4.41 0.00 1.74 -1.26 -4.77 116.66 106.88 2vhp n ARG 62 Ca 0.00 0.81 -0.26 0.00 -0.77 0.00 0.00 57.85 57.63 2vhp n ARG 62 Cb 0.00 -0.93 -0.12 0.00 -1.02 0.00 0.00 32.46 30.39 2vhp n ARG 62 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2vhp s ASP 63 N -2.55 3.31 -0.41 0.55 3.68 -0.62 -4.72 116.67 115.92 2vhp s ASP 63 Ca 0.00 -0.87 -0.25 0.00 2.13 0.00 0.00 52.55 53.56 2vhp s ASP 63 Cb 0.00 -0.24 0.02 0.00 -1.45 0.00 0.00 42.92 41.25 2vhp s ASP 63 CO 0.00 0.10 0.91 -1.10 0.13 0.00 0.00 175.17 175.20 2vhp s GLN 64 N -2.70 3.70 -0.53 4.34 -1.52 -1.26 -3.42 119.66 118.26 2vhp s GLN 64 Ca 0.20 0.36 -0.02 0.00 -1.95 0.00 0.00 55.36 53.95 2vhp s GLN 64 Cb -0.08 -3.86 0.14 0.00 -0.22 0.00 0.00 33.01 29.00 2vhp s GLN 64 CO 0.09 -1.06 0.33 0.71 -0.25 0.00 0.00 175.29 175.12 2vhp s TYR 65 N 3.55 3.47 -0.21 0.91 2.02 0.40 -4.97 117.35 122.52 2vhp s TYR 65 Ca 0.37 -2.65 -0.11 0.00 -0.37 0.00 0.00 57.07 54.31 2vhp s TYR 65 Cb -0.11 -3.18 -0.05 0.00 -0.40 0.00 0.00 41.96 38.22 2vhp s TYR 65 CO 0.22 -0.89 0.17 -2.00 -1.57 0.00 0.00 175.55 171.48 2vhp s GLU 66 N 0.39 4.15 0.04 -0.62 2.12 -1.26 0.78 118.70 124.30 2vhp s GLU 66 Ca 0.14 -0.19 0.01 0.00 0.36 0.00 0.00 54.97 55.28 2vhp s GLU 66 Cb -0.22 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.67 2vhp s GLU 66 CO -0.04 0.19 0.10 -1.50 -0.54 0.00 0.00 175.26 173.48 2vhp s ILE 67 N 0.67 4.77 -0.06 -3.70 2.07 -1.24 -4.97 121.20 118.74 2vhp s ILE 67 Ca 0.09 -0.55 0.04 0.00 -1.41 0.00 0.00 60.65 58.81 2vhp s ILE 67 Cb -0.12 -3.26 0.00 0.00 0.13 0.00 0.00 42.46 39.21 2vhp s ILE 67 CO 0.01 0.22 -0.17 0.00 -1.91 0.00 0.00 174.94 173.09 2vhp s ARG 68 N -2.15 2.01 -0.54 3.50 1.70 -1.26 -3.77 118.95 118.44 2vhp s ARG 68 Ca 0.28 -0.59 0.06 0.00 -0.47 0.00 0.00 55.73 55.01 2vhp s ARG 68 Cb -0.12 -1.65 0.33 0.00 -0.57 0.00 0.00 34.95 32.94 2vhp s ARG 68 CO 0.20 0.15 0.89 2.41 -1.08 0.00 0.00 175.30 177.87 2vhp n THR 69 N 3.46 2.39 -0.98 4.99 -1.04 -1.26 -4.58 114.28 117.27 2vhp n THR 69 Ca -0.20 -5.36 -0.33 0.00 -2.04 0.00 0.00 64.05 56.12 2vhp n THR 69 Cb 0.52 -1.25 0.14 0.00 -1.82 0.00 0.00 70.33 67.93 2vhp n THR 69 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 2vhp s HIS 70 N -3.19 1.73 -0.29 -1.42 3.76 -1.12 -4.57 115.29 110.19 2vhp s HIS 70 Ca 0.47 1.71 -0.19 0.00 -0.15 0.00 0.00 55.06 56.90 2vhp s HIS 70 Cb 0.28 -3.45 0.13 0.00 1.11 0.00 0.00 32.58 30.65 2vhp s HIS 70 CO -0.12 -2.87 0.95 -0.48 -0.85 0.00 0.00 174.74 171.37 2vhp s LEU 71 N -5.99 -0.56 0.05 0.89 2.34 -1.26 -1.54 118.68 112.60 2vhp s LEU 71 Ca 0.71 0.95 0.04 0.00 0.06 0.00 0.00 54.13 55.88 2vhp s LEU 71 Cb -0.27 1.90 -0.04 0.00 -0.56 0.00 0.00 46.19 47.22 2vhp s LEU 71 CO 0.53 -0.15 -0.02 -0.13 -1.06 0.00 0.00 176.35 175.52 2vhp s ARG 72 N 0.99 2.61 0.00 1.48 1.81 -1.26 -3.53 118.95 121.04 2vhp s ARG 72 Ca -0.05 -0.76 0.00 0.00 -1.72 0.00 0.00 55.73 53.21 2vhp s ARG 72 Cb -0.04 -2.56 0.00 0.00 -0.45 0.00 0.00 34.95 31.89 2vhp s ARG 72 CO -0.12 0.58 0.00 -0.11 -0.68 0.00 0.00 175.30 174.96 2vhp n LEU 73 N 1.00 0.09 0.00 2.53 -0.00 -1.26 -2.15 117.00 117.20 2vhp n LEU 73 Ca -0.13 0.06 0.00 0.00 -0.00 0.00 0.00 56.01 55.94 2vhp n LEU 73 Cb 0.52 -0.40 0.00 0.00 -0.00 0.00 0.00 43.42 43.54 2vhp n LEU 73 CO 0.36 -0.40 0.00 0.52 -0.00 0.00 0.00 177.39 177.87 2vhp n VAL 74 N -2.21 0.00 -1.92 1.96 0.31 -0.11 -4.26 118.33 112.10 2vhp n VAL 74 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 2vhp n VAL 74 Cb 0.00 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 32.94 2vhp n VAL 74 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2vhp n ASP 75 N 7.50 -3.29 -4.72 4.52 4.64 -1.24 -3.58 116.55 120.39 2vhp n ASP 75 Ca 0.00 -0.11 -0.33 0.00 -1.38 0.00 0.00 54.79 52.97 2vhp n ASP 75 Cb 0.00 -1.85 0.11 0.00 -1.04 0.00 0.00 41.12 38.34 2vhp n ASP 75 CO 0.00 0.00 0.00 -0.63 -0.82 0.00 0.00 177.20 175.75 2vhp s ILE 76 N -3.06 2.43 0.55 5.18 1.01 -1.17 -4.34 121.20 121.80 2vhp s ILE 76 Ca 0.07 0.17 0.07 0.00 0.00 0.00 0.00 60.65 60.96 2vhp s ILE 76 Cb -0.01 -2.54 0.05 0.00 0.01 0.00 0.00 42.46 39.97 2vhp s ILE 76 CO 0.19 -0.15 0.55 -0.69 0.00 0.00 0.00 174.94 174.84 2vhp s VAL 77 N -2.36 1.90 -0.65 2.92 1.01 -1.26 -0.47 120.40 121.48 2vhp s VAL 77 Ca 0.69 -1.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 2vhp s VAL 77 Cb -0.25 -2.19 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 2vhp s VAL 77 CO 0.51 0.00 0.58 -0.62 0.00 0.00 0.00 175.10 175.56 2vhp n GLU 78 N -1.94 -1.38 -1.72 2.72 4.71 -1.26 -4.47 120.64 117.30 2vhp n GLU 78 Ca 0.05 0.64 -0.40 0.00 -0.01 0.00 0.00 57.16 57.45 2vhp n GLU 78 Cb 0.63 -4.30 -0.03 0.00 -1.01 0.00 0.00 31.44 26.73 2vhp n GLU 78 CO 0.00 0.00 0.00 -2.14 0.09 0.00 0.00 177.13 175.08 2vhp s PRO 79 N -3.78 2.69 0.19 3.49 0.02 -1.26 -3.95 135.00 132.39 2vhp s PRO 79 Ca 0.26 1.48 0.06 0.00 0.02 0.00 0.00 61.00 62.81 2vhp s PRO 79 Cb -0.03 -4.43 -0.04 0.00 0.02 0.00 0.00 34.50 30.02 2vhp s PRO 79 CO 0.48 -2.62 0.16 0.95 -0.33 0.00 0.00 177.00 175.64 2vhp s THR 80 N 9.71 4.49 -0.06 0.99 -4.23 -1.26 -4.99 115.64 120.30 2vhp s THR 80 Ca 0.91 -1.16 -0.02 0.00 -1.18 0.00 0.00 61.69 60.24 2vhp s THR 80 Cb -0.22 -3.33 -0.05 0.00 1.34 0.00 0.00 72.50 70.24 2vhp s THR 80 CO 0.29 -0.17 2.49 -0.62 -0.54 0.00 0.00 174.62 176.07 2vhp n GLU 81 N -0.58 1.43 0.00 3.99 -0.58 -1.26 -1.84 120.64 121.80 2vhp n GLU 81 Ca -0.08 -0.56 0.00 0.00 -0.42 0.00 0.00 57.16 56.09 2vhp n GLU 81 Cb 0.56 -1.40 0.00 0.00 -0.57 0.00 0.00 31.44 30.03 2vhp n GLU 81 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2vhp n LYS 82 N 1.62 -0.04 0.00 3.49 4.01 -1.26 -4.70 118.16 121.28 2vhp n LYS 82 Ca 0.18 -0.18 0.07 0.00 -0.51 0.00 0.00 58.31 57.87 2vhp n LYS 82 Cb 0.63 -0.57 -0.08 0.00 -0.51 0.00 0.00 35.03 34.50 2vhp n LYS 82 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 2vhp n THR 83 N -0.01 0.00 0.59 -0.18 -1.04 -0.77 -2.52 114.28 110.36 2vhp n THR 83 Ca 0.00 -0.17 0.00 0.00 -2.04 0.00 0.00 64.05 61.84 2vhp n THR 83 Cb 0.26 1.02 0.00 0.00 -1.82 0.00 0.00 70.33 69.79 2vhp n THR 83 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2vhp n VAL 84 N -1.24 0.00 0.02 12.58 0.31 -1.25 -3.23 118.33 125.53 2vhp n VAL 84 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 2vhp n VAL 84 Cb 0.24 -0.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.82 2vhp n VAL 84 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2vhp n ASP 85 N -0.49 -0.05 0.08 4.52 2.03 -1.25 -4.79 116.55 116.59 2vhp n ASP 85 Ca 0.00 0.06 0.03 0.00 0.52 0.00 0.00 54.79 55.40 2vhp n ASP 85 Cb 0.00 0.10 0.42 0.00 -0.72 0.00 0.00 41.12 40.93 2vhp n ASP 85 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2vhp h ALA 86 N 0.00 1.62 0.00 -1.67 0.00 -1.50 -2.11 119.26 115.59 2vhp h ALA 86 Ca 0.00 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2vhp h ALA 86 Cb 0.00 -0.11 -0.15 0.00 0.00 0.00 0.00 17.79 17.54 2vhp h ALA 86 CO 0.00 0.29 -0.65 1.28 0.00 0.00 0.00 179.25 180.17 2vhp n LEU 87 N -4.37 1.77 0.00 0.00 7.99 -1.20 -3.82 117.00 117.37 2vhp n LEU 87 Ca 0.00 -2.82 0.00 0.00 -0.01 0.00 0.00 56.01 53.18 2vhp n LEU 87 Cb 0.18 -0.27 0.00 0.00 -0.11 0.00 0.00 43.42 43.22 2vhp n LEU 87 CO 0.37 0.88 0.14 0.80 -1.51 0.00 0.00 177.39 178.07 2vhp n MET 88 N -0.44 -0.29 0.00 3.23 1.56 -1.06 -4.86 117.12 115.26 2vhp n MET 88 Ca 0.12 -0.30 0.00 0.00 -0.27 0.00 0.00 57.70 57.25 2vhp n MET 88 Cb 0.86 -0.73 0.00 0.00 2.15 0.00 0.00 33.22 35.50 2vhp n MET 88 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2vhp n ARG 89 N -0.02 0.00 -1.74 2.12 1.74 -0.82 -4.92 116.66 113.01 2vhp n ARG 89 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 2vhp n ARG 89 Cb 0.16 -0.06 -0.01 0.00 -1.02 0.00 0.00 32.46 31.52 2vhp n ARG 89 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2vhp n LEU 90 N -0.89 8.26 -3.67 0.55 4.77 -1.04 -4.80 117.00 120.19 2vhp n LEU 90 Ca 0.00 -4.68 -0.30 0.00 -0.03 0.00 0.00 56.01 51.01 2vhp n LEU 90 Cb 0.00 -1.44 -0.14 0.00 -2.33 0.00 0.00 43.42 39.51 2vhp n LEU 90 CO 0.00 2.03 -0.31 1.51 -1.33 0.00 0.00 177.39 179.29 2vhp s ASP 91 N 1.11 3.74 -0.52 -1.43 1.47 -1.26 -4.48 116.67 115.29 2vhp s ASP 91 Ca 0.59 -1.95 -0.19 0.00 1.18 0.00 0.00 52.55 52.18 2vhp s ASP 91 Cb 0.18 -0.80 0.06 0.00 -0.34 0.00 0.00 42.92 42.02 2vhp s ASP 91 CO -0.08 -0.36 0.65 -1.48 0.68 0.00 0.00 175.17 174.58 2vhp s LEU 92 N 1.24 4.99 -0.03 2.11 2.34 -1.26 -5.02 118.68 123.06 2vhp s LEU 92 Ca 0.13 -0.97 -0.17 0.00 0.06 0.00 0.00 54.13 53.17 2vhp s LEU 92 Cb -0.20 -2.44 0.03 0.00 -0.56 0.00 0.00 46.19 43.03 2vhp s LEU 92 CO -0.16 -0.94 0.38 0.00 -1.06 0.00 0.00 176.35 174.57 2vhp s ALA 93 N 2.70 -0.97 0.08 1.48 0.00 -1.26 -5.04 121.76 118.76 2vhp s ALA 93 Ca 0.15 0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.67 2vhp s ALA 93 Cb -0.20 -0.00 0.00 0.00 0.00 0.00 0.00 23.12 22.92 2vhp s ALA 93 CO 0.11 -0.27 0.00 0.00 0.00 0.00 0.00 175.76 175.60 2vhp n ALA 94 N 1.35 2.10 0.40 0.00 0.00 -1.26 -4.87 120.51 118.23 2vhp n ALA 94 Ca -0.20 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.30 2vhp n ALA 94 Cb 0.56 0.00 0.21 0.00 0.00 0.00 0.00 19.45 20.23 2vhp n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2vhp n GLY 95 N 0.60 1.40 3.27 0.00 0.00 -1.26 -4.88 105.19 104.31 2vhp n GLY 95 Ca 0.00 -0.51 -0.24 0.00 0.00 0.00 0.00 46.02 45.26 2vhp n GLY 95 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2vhp s VAL 96 N -1.51 1.68 -0.13 1.61 -7.23 -1.26 -4.12 120.40 109.43 2vhp s VAL 96 Ca 0.32 -1.44 -0.11 0.00 -1.81 0.00 0.00 61.98 58.94 2vhp s VAL 96 Cb 0.18 -1.51 -0.05 0.00 0.56 0.00 0.00 36.38 35.56 2vhp s VAL 96 CO 0.19 0.01 0.23 -0.62 -0.31 0.00 0.00 175.10 174.59 2vhp s ASP 97 N -1.70 6.43 -0.89 4.85 2.15 -0.88 -4.95 116.67 121.68 2vhp s ASP 97 Ca 0.06 0.51 -0.00 0.00 0.43 0.00 0.00 52.55 53.55 2vhp s ASP 97 Cb -0.10 -2.14 0.27 0.00 -0.30 0.00 0.00 42.92 40.66 2vhp s ASP 97 CO 0.03 0.25 1.08 1.33 -0.17 0.00 0.00 175.17 177.69 2vhp n VAL 98 N 2.79 3.83 -0.69 1.11 0.24 -1.25 -3.50 118.33 120.85 2vhp n VAL 98 Ca -0.16 -5.51 -0.13 0.00 -2.04 0.00 0.00 64.34 56.50 2vhp n VAL 98 Cb 0.53 -2.16 -0.08 0.00 -1.47 0.00 0.00 33.84 30.66 2vhp n VAL 98 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2vhp n GLN 99 N 1.38 1.59 -0.80 7.34 6.02 -0.79 -4.81 117.38 127.30 2vhp n GLN 99 Ca 0.27 -0.91 -0.33 0.00 -0.01 0.00 0.00 57.00 56.01 2vhp n GLN 99 Cb 0.37 -2.02 0.12 0.00 1.02 0.00 0.00 30.24 29.73 2vhp n GLN 99 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 2vhp n ILE 100 N 3.09 0.00 0.00 5.09 5.41 -1.26 -3.50 119.36 128.19 2vhp n ILE 100 Ca 0.34 -0.24 0.00 0.00 1.00 0.00 0.00 62.75 63.85 2vhp n ILE 100 Cb 0.46 -0.52 0.00 0.00 -0.71 0.00 0.00 39.64 38.87 2vhp n ILE 100 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 176.55 175.01 2vhp n SER 101 N -0.63 0.07 0.00 4.38 3.41 -1.05 -4.85 113.62 114.94 2vhp n SER 101 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.65 2vhp n SER 101 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 2vhp n SER 101 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2vhp n LEU 102 N 0.00 0.00 0.00 1.04 7.99 -1.26 -2.68 117.00 122.08 2vhp n LEU 102 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.00 2vhp n LEU 102 Cb 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.31 2vhp n LEU 102 CO 0.00 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.49