#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 9hvp s GLN 2 N 0.00 3.13 -0.22 -0.52 0.74 -1.26 -5.09 119.66 116.43 9hvp s GLN 2 Ca 0.00 -0.77 0.02 0.00 0.05 0.00 0.00 55.36 54.66 9hvp s GLN 2 Cb 0.00 -2.68 0.04 0.00 1.10 0.00 0.00 33.01 31.47 9hvp s GLN 2 CO 0.00 -0.15 -0.15 0.42 -0.55 0.00 0.00 175.29 174.86 9hvp s ILE 3 N 1.21 2.10 0.29 -2.34 1.01 -1.26 -5.11 121.20 117.10 9hvp s ILE 3 Ca 0.02 -1.31 -0.19 0.00 0.00 0.00 0.00 60.65 59.17 9hvp s ILE 3 Cb -0.14 -2.08 -0.09 0.00 0.01 0.00 0.00 42.46 40.16 9hvp s ILE 3 CO -0.07 0.22 0.78 0.42 0.00 0.00 0.00 174.94 176.29 9hvp s THR 4 N 1.19 4.53 -2.02 2.92 -4.23 -1.26 -4.99 115.64 111.78 9hvp s THR 4 Ca -0.03 1.28 0.12 0.00 -1.18 0.00 0.00 61.69 61.89 9hvp s THR 4 Cb -0.17 -3.78 0.34 0.00 1.34 0.00 0.00 72.50 70.24 9hvp s THR 4 CO -0.09 0.02 1.46 0.18 -0.54 0.00 0.00 174.62 175.65 9hvp n LEU 5 N 0.22 0.18 -0.32 4.79 4.77 -1.26 -4.06 117.00 121.32 9hvp n LEU 5 Ca 0.01 -0.08 0.01 0.00 -0.03 0.00 0.00 56.01 55.92 9hvp n LEU 5 Cb 0.52 -0.02 0.19 0.00 -2.33 0.00 0.00 43.42 41.78 9hvp n LEU 5 CO 0.42 0.04 1.27 -0.50 -1.33 0.00 0.00 177.39 177.29 9hvp h TRP 6 N 0.22 1.12 -1.68 -1.77 4.06 -2.06 -3.42 115.95 112.43 9hvp h TRP 6 Ca 0.00 0.03 -0.49 0.00 2.06 0.00 0.00 58.89 60.49 9hvp h TRP 6 Cb 0.05 -0.37 -0.03 0.00 -1.00 0.00 0.00 29.16 27.80 9hvp h TRP 6 CO 0.02 0.65 -0.41 -0.65 -3.56 0.00 0.00 178.44 174.49 9hvp s GLN 7 N -5.98 2.65 -0.10 0.49 -0.21 -1.26 -5.07 119.66 110.18 9hvp s GLN 7 Ca -0.12 -1.40 -0.29 0.00 0.02 0.00 0.00 55.36 53.57 9hvp s GLN 7 Cb 0.19 -2.45 -0.04 0.00 1.00 0.00 0.00 33.01 31.71 9hvp s GLN 7 CO 0.80 -0.05 1.59 0.50 -2.12 0.00 0.00 175.29 176.01 9hvp s ARG 8 N -4.08 4.12 -0.48 2.91 3.52 -1.26 -4.90 118.95 118.79 9hvp s ARG 8 Ca 0.45 2.03 -0.04 0.00 -0.13 0.00 0.00 55.73 58.04 9hvp s ARG 8 Cb -0.05 -3.96 -0.08 0.00 -1.56 0.00 0.00 34.95 29.30 9hvp s ARG 8 CO 0.27 -0.90 2.01 -0.35 -0.81 0.00 0.00 175.30 175.52 9hvp n PRO 9 N 7.14 1.50 -1.44 5.12 -0.04 -1.26 -4.91 135.00 141.10 9hvp n PRO 9 Ca 0.17 -1.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.34 9hvp n PRO 9 Cb 0.43 -2.14 0.13 0.00 -0.04 0.00 0.00 33.50 31.89 9hvp n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 9hvp s LEU 10 N 0.05 2.18 0.05 1.53 1.43 -1.26 -2.25 118.68 120.42 9hvp s LEU 10 Ca 0.34 1.18 -0.27 0.00 -1.03 0.00 0.00 54.13 54.35 9hvp s LEU 10 Cb 0.12 -3.60 0.09 0.00 0.03 0.00 0.00 46.19 42.83 9hvp s LEU 10 CO -0.02 -2.45 0.89 0.54 0.23 0.00 0.00 176.35 175.54 9hvp s VAL 11 N -3.14 0.00 0.03 -1.59 0.11 -0.73 -4.88 120.40 110.19 9hvp s VAL 11 Ca 0.63 -0.20 -0.17 0.00 -2.93 0.00 0.00 61.98 59.31 9hvp s VAL 11 Cb -0.16 -1.30 -0.06 0.00 -1.53 0.00 0.00 36.38 33.33 9hvp s VAL 11 CO 0.55 0.00 0.48 -0.89 -3.33 0.00 0.00 175.10 171.91 9hvp s THR 12 N -3.21 4.91 0.19 5.04 2.01 -1.26 -0.34 115.64 122.98 9hvp s THR 12 Ca 0.07 1.01 0.07 0.00 0.31 0.00 0.00 61.69 63.15 9hvp s THR 12 Cb -0.01 -3.80 -0.05 0.00 0.01 0.00 0.00 72.50 68.65 9hvp s THR 12 CO -0.06 0.56 -0.14 0.27 -0.69 0.00 0.00 174.62 174.56 9hvp s ILE 13 N -1.01 1.64 -0.29 1.82 -4.36 -0.52 -2.10 121.20 116.37 9hvp s ILE 13 Ca 0.26 -2.14 -0.01 0.00 -0.26 0.00 0.00 60.65 58.50 9hvp s ILE 13 Cb -0.18 -1.97 0.09 0.00 1.25 0.00 0.00 42.46 41.65 9hvp s ILE 13 CO 0.16 -0.59 0.08 -0.75 0.24 0.00 0.00 174.94 174.08 9hvp s LYS 14 N -3.54 0.73 -0.23 0.37 2.20 0.33 -2.04 119.74 117.56 9hvp s LYS 14 Ca 0.20 -0.99 -0.01 0.00 -0.36 0.00 0.00 55.97 54.82 9hvp s LYS 14 Cb -0.01 -2.01 0.03 0.00 -1.51 0.00 0.00 37.83 34.32 9hvp s LYS 14 CO 0.06 -0.93 -0.10 0.42 -0.36 0.00 0.00 175.35 174.44 9hvp s ILE 15 N 1.64 2.65 -0.88 5.43 1.09 -0.99 -2.59 121.20 127.55 9hvp s ILE 15 Ca 0.08 -1.04 -0.05 0.00 -1.10 0.00 0.00 60.65 58.54 9hvp s ILE 15 Cb -0.17 -2.32 -0.06 0.00 -1.06 0.00 0.00 42.46 38.85 9hvp s ILE 15 CO -0.23 0.26 0.77 0.61 -0.10 0.00 0.00 174.94 176.26 9hvp n GLY 16 N 4.64 -0.84 4.24 6.18 0.00 -1.26 -2.65 105.19 115.50 9hvp n GLY 16 Ca -0.17 0.45 0.00 0.00 0.00 0.00 0.00 46.02 46.30 9hvp n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 9hvp n GLY 17 N -1.28 0.06 3.71 -0.02 0.00 -1.26 -4.92 105.19 101.49 9hvp n GLY 17 Ca -0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.72 9hvp n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 9hvp s GLN 18 N -0.68 2.56 -0.14 1.61 -0.21 -1.08 -5.14 119.66 116.57 9hvp s GLN 18 Ca 0.00 -1.15 0.01 0.00 0.02 0.00 0.00 55.36 54.24 9hvp s GLN 18 Cb 0.00 -2.39 -0.00 0.00 1.00 0.00 0.00 33.01 31.62 9hvp s GLN 18 CO 0.00 0.42 -0.17 -0.51 -2.12 0.00 0.00 175.29 172.91 9hvp s LEU 19 N -3.39 2.41 0.24 2.90 2.01 -1.26 -2.34 118.68 119.25 9hvp s LEU 19 Ca 0.30 -0.48 0.00 0.00 0.01 0.00 0.00 54.13 53.97 9hvp s LEU 19 Cb -0.08 -1.54 -0.03 0.00 0.01 0.00 0.00 46.19 44.55 9hvp s LEU 19 CO 0.21 0.10 0.21 -0.54 1.01 0.00 0.00 176.35 177.34 9hvp s LYS 20 N 0.70 1.40 -0.14 1.70 3.01 -0.86 -5.00 119.74 120.56 9hvp s LYS 20 Ca -0.08 -1.71 -0.03 0.00 -1.01 0.00 0.00 55.97 53.14 9hvp s LYS 20 Cb -0.16 0.31 -0.03 0.00 -1.01 0.00 0.00 37.83 36.94 9hvp s LYS 20 CO 0.01 -0.49 -0.04 -1.21 0.51 0.00 0.00 175.35 174.13 9hvp s GLU 21 N -3.91 3.48 -0.02 1.68 2.02 -1.26 -1.44 118.70 119.25 9hvp s GLU 21 Ca 0.38 -0.51 0.03 0.00 0.02 0.00 0.00 54.97 54.89 9hvp s GLU 21 Cb 0.05 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.42 9hvp s GLU 21 CO 0.16 0.35 -0.10 0.00 0.02 0.00 0.00 175.26 175.70 9hvp s ALA 22 N 0.07 0.89 0.06 5.21 0.00 0.54 -4.27 121.76 124.25 9hvp s ALA 22 Ca -0.00 -0.36 -0.30 0.00 0.00 0.00 0.00 51.96 51.29 9hvp s ALA 22 Cb -0.13 -0.31 -0.08 0.00 0.00 0.00 0.00 23.12 22.59 9hvp s ALA 22 CO 0.03 0.16 1.77 -1.17 0.00 0.00 0.00 175.76 176.54 9hvp s LEU 23 N 0.11 4.38 -0.35 0.00 0.20 0.18 -1.77 118.68 121.43 9hvp s LEU 23 Ca -0.02 2.56 -0.24 0.00 0.69 0.00 0.00 54.13 57.12 9hvp s LEU 23 Cb -0.08 -3.55 0.01 0.00 -0.43 0.00 0.00 46.19 42.14 9hvp s LEU 23 CO 0.00 -0.96 0.83 -0.76 -0.29 0.00 0.00 176.35 175.17 9hvp s LEU 24 N 3.28 4.08 -0.14 -0.68 1.02 -0.95 -1.38 118.68 123.90 9hvp s LEU 24 Ca 0.79 0.50 0.00 0.00 0.02 0.00 0.00 54.13 55.44 9hvp s LEU 24 Cb -0.41 -3.11 0.02 0.00 0.02 0.00 0.00 46.19 42.72 9hvp s LEU 24 CO 0.35 -0.74 -0.12 -0.62 0.02 0.00 0.00 176.35 175.24 9hvp s ASP 25 N 1.79 2.61 0.43 2.29 2.15 -0.70 -4.84 116.67 120.40 9hvp s ASP 25 Ca 0.34 -0.47 0.24 0.00 0.43 0.00 0.00 52.55 53.08 9hvp s ASP 25 Cb -0.13 -1.10 0.72 0.00 -0.30 0.00 0.00 42.92 42.11 9hvp s ASP 25 CO 0.16 -0.08 1.74 0.71 -0.17 0.00 0.00 175.17 177.53 9hvp h THR 26 N 6.11 0.43 0.00 1.71 1.35 -1.95 -3.19 112.91 117.37 9hvp h THR 26 Ca -0.35 -1.22 0.00 0.00 -0.55 0.00 0.00 66.41 64.29 9hvp h THR 26 Cb 1.13 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 69.45 9hvp h THR 26 CO 0.49 0.20 -0.09 0.61 -0.25 0.00 0.00 175.52 176.49 9hvp n GLY 27 N 0.52 -1.58 3.70 5.82 0.00 -1.26 -4.77 105.19 107.61 9hvp n GLY 27 Ca 0.01 -0.09 -0.38 0.00 0.00 0.00 0.00 46.02 45.57 9hvp n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9hvp s ALA 28 N -3.06 3.54 -1.95 4.61 0.00 -1.20 -4.94 121.76 118.75 9hvp s ALA 28 Ca 0.11 -0.38 0.30 0.00 0.00 0.00 0.00 51.96 52.00 9hvp s ALA 28 Cb 0.15 -2.58 1.49 0.00 0.00 0.00 0.00 23.12 22.18 9hvp s ALA 28 CO 0.59 -0.09 2.00 -0.25 0.00 0.00 0.00 175.76 178.01 9hvp n ASP 29 N 3.95 0.46 -3.98 0.00 8.00 -1.26 -1.05 116.55 122.67 9hvp n ASP 29 Ca -0.09 -0.90 -0.15 0.00 0.71 0.00 0.00 54.79 54.36 9hvp n ASP 29 Cb 0.51 -0.05 -0.14 0.00 -0.02 0.00 0.00 41.12 41.43 9hvp n ASP 29 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 9hvp s ASP 30 N -2.19 0.64 -0.53 -2.24 1.01 -1.26 -3.51 116.67 108.58 9hvp s ASP 30 Ca 0.38 -0.18 -0.28 0.00 0.71 0.00 0.00 52.55 53.19 9hvp s ASP 30 Cb 0.21 -0.05 0.00 0.00 1.01 0.00 0.00 42.92 44.10 9hvp s ASP 30 CO 0.40 0.01 1.56 -0.89 0.21 0.00 0.00 175.17 176.46 9hvp s THR 31 N -0.36 3.66 -0.20 -1.27 2.01 -1.26 -3.64 115.64 114.59 9hvp s THR 31 Ca -0.00 0.56 -0.01 0.00 0.31 0.00 0.00 61.69 62.55 9hvp s THR 31 Cb -0.03 -4.22 0.01 0.00 0.01 0.00 0.00 72.50 68.27 9hvp s THR 31 CO -0.00 -0.99 -0.14 0.54 -0.69 0.00 0.00 174.62 173.34 9hvp s VAL 32 N 6.74 2.58 0.05 3.82 0.11 -1.18 -2.07 120.40 130.46 9hvp s VAL 32 Ca 0.60 -0.77 0.02 0.00 -2.93 0.00 0.00 61.98 58.90 9hvp s VAL 32 Cb -0.13 -2.13 -0.04 0.00 -1.53 0.00 0.00 36.38 32.55 9hvp s VAL 32 CO 0.26 0.49 0.07 -0.76 -3.33 0.00 0.00 175.10 171.83 9hvp s LEU 33 N 1.36 3.79 1.41 2.54 1.43 0.09 -0.88 118.68 128.42 9hvp s LEU 33 Ca 0.05 0.02 -0.22 0.00 -1.03 0.00 0.00 54.13 52.95 9hvp s LEU 33 Cb -0.14 -2.39 0.36 0.00 0.03 0.00 0.00 46.19 44.06 9hvp s LEU 33 CO -0.09 0.20 0.93 -1.61 0.23 0.00 0.00 176.35 176.01 9hvp s GLU 34 N -2.17 -2.82 0.39 1.70 2.02 -1.26 -1.66 118.70 114.91 9hvp s GLU 34 Ca 0.27 0.25 -0.26 0.00 0.02 0.00 0.00 54.97 55.25 9hvp s GLU 34 Cb -0.12 -1.38 -0.09 0.00 0.10 0.00 0.00 34.13 32.64 9hvp s GLU 34 CO 0.19 -4.83 1.21 -1.21 0.02 0.00 0.00 175.26 170.64 9hvp s GLU 35 N -4.96 4.07 0.27 1.61 0.41 -1.16 -4.09 118.70 114.86 9hvp s GLU 35 Ca 0.68 1.94 -0.07 0.00 -0.41 0.00 0.00 54.97 57.11 9hvp s GLU 35 Cb -0.15 -2.74 0.03 0.00 -1.78 0.00 0.00 34.13 29.48 9hvp s GLU 35 CO 0.59 -0.33 0.49 0.00 -0.49 0.00 0.00 175.26 175.52 9hvp n MET 36 N 0.18 0.71 -3.12 1.61 0.00 -1.26 -5.03 117.12 110.21 9hvp n MET 36 Ca 0.04 -1.73 -0.43 0.00 0.00 0.00 0.00 57.70 55.57 9hvp n MET 36 Cb 0.45 1.97 -0.06 0.00 0.00 0.00 0.00 33.22 35.58 9hvp n MET 36 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 9hvp s ASN 37 N -2.50 6.28 -0.04 3.17 3.84 -1.26 -5.03 114.94 119.39 9hvp s ASN 37 Ca 0.15 -0.59 0.04 0.00 0.21 0.00 0.00 52.86 52.67 9hvp s ASN 37 Cb -0.03 -2.31 -0.03 0.00 -0.55 0.00 0.00 41.25 38.34 9hvp s ASN 37 CO 0.11 -0.85 -0.15 -0.22 -2.79 0.00 0.00 177.10 173.20 9hvp s LEU 38 N 2.79 2.71 -0.26 3.21 2.96 -1.26 -5.01 118.68 123.83 9hvp s LEU 38 Ca 0.20 -0.23 -0.10 0.00 -0.22 0.00 0.00 54.13 53.77 9hvp s LEU 38 Cb -0.16 -1.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.93 9hvp s LEU 38 CO 0.16 0.33 0.16 -2.16 -1.32 0.00 0.00 176.35 173.52 9hvp s PRO 39 N -0.84 3.97 0.00 0.98 0.04 -1.26 -5.03 135.00 132.86 9hvp s PRO 39 Ca 0.12 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.85 9hvp s PRO 39 Cb -0.11 -3.57 0.00 0.00 0.04 0.00 0.00 34.50 30.87 9hvp s PRO 39 CO 0.01 -0.07 0.00 0.41 0.04 0.00 0.00 177.00 177.40 9hvp n GLY 40 N 4.68 0.28 3.79 0.56 0.00 -1.26 -5.10 105.19 108.14 9hvp n GLY 40 Ca -0.15 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.14 9hvp n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 9hvp s ARG 41 N -1.86 3.94 -0.00 1.61 3.00 -1.26 -5.05 118.95 119.33 9hvp s ARG 41 Ca 0.00 1.38 0.01 0.00 0.00 0.00 0.00 55.73 57.13 9hvp s ARG 41 Cb 0.00 -2.23 -0.00 0.00 0.00 0.00 0.00 34.95 32.72 9hvp s ARG 41 CO 0.00 -0.31 -0.04 1.67 0.00 0.00 0.00 175.30 176.62 9hvp s TRP 42 N -1.90 0.36 0.52 -0.53 1.48 -1.26 -4.78 118.94 112.82 9hvp s TRP 42 Ca 0.64 -0.09 -0.13 0.00 -1.06 0.00 0.00 56.10 55.46 9hvp s TRP 42 Cb -0.17 -0.23 -0.06 0.00 -1.16 0.00 0.00 33.47 31.85 9hvp s TRP 42 CO 0.21 -0.01 0.94 0.15 -4.06 0.00 0.00 176.95 174.18 9hvp s LYS 43 N -0.18 3.78 0.67 3.25 3.01 -0.93 -4.81 119.74 124.53 9hvp s LYS 43 Ca 0.01 0.74 -0.10 0.00 -1.01 0.00 0.00 55.97 55.60 9hvp s LYS 43 Cb -0.02 -2.19 0.00 0.00 -1.01 0.00 0.00 37.83 34.61 9hvp s LYS 43 CO -0.00 -0.30 1.05 -1.25 0.51 0.00 0.00 175.35 175.36 9hvp s PRO 44 N -4.39 2.99 0.24 -1.68 0.04 -1.26 -0.44 135.00 130.50 9hvp s PRO 44 Ca 0.55 0.43 -0.21 0.00 0.04 0.00 0.00 61.00 61.81 9hvp s PRO 44 Cb -0.10 -2.08 0.06 0.00 0.04 0.00 0.00 34.50 32.42 9hvp s PRO 44 CO 0.39 -0.90 0.91 0.21 0.04 0.00 0.00 177.00 177.65 9hvp s LYS 45 N -5.26 1.57 -0.16 4.56 2.20 -0.26 -4.79 119.74 117.60 9hvp s LYS 45 Ca 0.57 -0.95 -0.13 0.00 -0.36 0.00 0.00 55.97 55.09 9hvp s LYS 45 Cb -0.11 0.48 0.05 0.00 -1.51 0.00 0.00 37.83 36.73 9hvp s LYS 45 CO 0.51 -0.73 0.42 -1.64 -0.36 0.00 0.00 175.35 173.55 9hvp s MET 46 N -2.80 0.47 0.13 4.03 -1.94 -1.26 -0.97 119.30 116.96 9hvp s MET 46 Ca 0.16 0.64 0.06 0.00 -1.71 0.00 0.00 55.69 54.84 9hvp s MET 46 Cb -0.03 0.18 -0.04 0.00 2.01 0.00 0.00 34.83 36.95 9hvp s MET 46 CO 0.06 -0.08 -0.15 0.96 -0.01 0.00 0.00 175.02 175.80 9hvp s ILE 47 N 0.50 1.41 -0.00 2.53 -5.25 -0.96 -4.96 121.20 114.47 9hvp s ILE 47 Ca -0.02 -1.77 -0.01 0.00 -0.99 0.00 0.00 60.65 57.87 9hvp s ILE 47 Cb -0.04 -1.60 -0.04 0.00 2.95 0.00 0.00 42.46 43.73 9hvp s ILE 47 CO -0.03 -0.41 0.10 -0.83 -1.79 0.00 0.00 174.94 171.98 9hvp s GLY 48 N -2.52 2.04 0.00 6.27 0.00 -1.26 -1.48 107.32 110.37 9hvp s GLY 48 Ca 0.10 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.97 9hvp s GLY 48 CO 0.04 -0.74 0.00 0.61 0.00 0.00 0.00 173.10 173.00 9hvp n GLY 49 N 1.11 5.80 0.13 0.20 0.00 -0.44 -5.00 105.19 107.00 9hvp n GLY 49 Ca -0.12 -1.54 -0.16 0.00 0.00 0.00 0.00 46.02 44.20 9hvp n GLY 49 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 9hvp h ILE 50 N 0.00 1.44 0.00 -0.61 -0.00 -2.04 -3.37 117.51 112.93 9hvp h ILE 50 Ca 0.00 -2.78 -0.29 0.00 -0.00 0.00 0.00 64.86 61.79 9hvp h ILE 50 Cb 0.00 2.75 -0.05 0.00 -0.00 0.00 0.00 36.82 39.51 9hvp h ILE 50 CO 0.00 0.82 -1.93 0.61 -0.00 0.00 0.00 178.15 177.66 9hvp n GLY 51 N 1.32 -1.03 0.00 0.16 0.00 -1.26 -5.06 105.19 99.32 9hvp n GLY 51 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.76 9hvp n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 9hvp n GLY 52 N 1.59 2.90 2.73 -0.02 0.00 -1.26 -5.14 105.19 106.00 9hvp n GLY 52 Ca -0.21 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.42 9hvp n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 9hvp s PHE 53 N 0.02 0.59 0.01 1.61 0.40 -1.25 -1.32 117.98 118.04 9hvp s PHE 53 Ca 0.00 -0.25 -0.06 0.00 -0.60 0.00 0.00 56.93 56.02 9hvp s PHE 53 Cb 0.00 -0.78 -0.05 0.00 0.51 0.00 0.00 43.02 42.70 9hvp s PHE 53 CO 0.00 -0.38 0.27 0.96 0.70 0.00 0.00 175.22 176.77 9hvp s ILE 54 N 2.00 5.30 -0.14 0.64 -4.36 -0.55 -4.90 121.20 119.18 9hvp s ILE 54 Ca 0.04 0.16 -0.25 0.00 -0.26 0.00 0.00 60.65 60.33 9hvp s ILE 54 Cb -0.13 -3.57 -0.02 0.00 1.25 0.00 0.00 42.46 39.99 9hvp s ILE 54 CO -0.06 0.36 0.81 -0.54 0.24 0.00 0.00 174.94 175.75 9hvp s LYS 55 N -1.78 4.33 0.04 0.37 3.01 -1.26 -2.25 119.74 122.19 9hvp s LYS 55 Ca 0.28 1.01 -0.03 0.00 -1.01 0.00 0.00 55.97 56.22 9hvp s LYS 55 Cb -0.13 -3.55 -0.02 0.00 -1.01 0.00 0.00 37.83 33.12 9hvp s LYS 55 CO 0.16 -0.25 0.03 0.14 0.51 0.00 0.00 175.35 175.95 9hvp s VAL 56 N 1.88 0.15 -0.27 3.17 -7.23 -0.15 -4.42 120.40 113.53 9hvp s VAL 56 Ca 0.39 -1.22 -0.13 0.00 -1.81 0.00 0.00 61.98 59.20 9hvp s VAL 56 Cb -0.17 -0.88 -0.04 0.00 0.56 0.00 0.00 36.38 35.84 9hvp s VAL 56 CO 0.14 -0.67 0.28 -0.13 -0.31 0.00 0.00 175.10 174.41 9hvp s ARG 57 N -2.64 4.01 -0.09 4.82 0.52 -0.34 -1.11 118.95 124.13 9hvp s ARG 57 Ca -0.05 -0.12 -0.30 0.00 -0.52 0.00 0.00 55.73 54.75 9hvp s ARG 57 Cb -0.01 -3.64 -0.02 0.00 0.52 0.00 0.00 34.95 31.80 9hvp s ARG 57 CO -0.05 -0.19 1.17 -0.65 0.02 0.00 0.00 175.30 175.60 9hvp s GLN 58 N 1.81 4.34 -0.18 3.54 -0.21 0.42 -1.74 119.66 127.63 9hvp s GLN 58 Ca 0.11 1.61 -0.04 0.00 0.02 0.00 0.00 55.36 57.06 9hvp s GLN 58 Cb -0.16 -3.59 -0.02 0.00 1.00 0.00 0.00 33.01 30.24 9hvp s GLN 58 CO 0.10 -0.47 -0.02 0.71 -2.12 0.00 0.00 175.29 173.48 9hvp s TYR 59 N 2.42 3.02 0.15 0.91 1.51 0.27 -2.19 117.35 123.43 9hvp s TYR 59 Ca 0.54 -0.44 0.08 0.00 -1.01 0.00 0.00 57.07 56.24 9hvp s TYR 59 Cb -0.23 -2.02 -0.04 0.00 -0.11 0.00 0.00 41.96 39.56 9hvp s TYR 59 CO 0.19 -0.18 -0.08 -0.51 -1.11 0.00 0.00 175.55 173.87 9hvp s ASP 60 N 0.74 4.44 -0.97 2.29 1.01 -1.26 -0.20 116.67 122.72 9hvp s ASP 60 Ca -0.01 -0.45 -0.03 0.00 0.71 0.00 0.00 52.55 52.76 9hvp s ASP 60 Cb -0.14 -0.84 -0.04 0.00 1.01 0.00 0.00 42.92 42.91 9hvp s ASP 60 CO 0.02 0.13 0.83 0.00 0.21 0.00 0.00 175.17 176.36 9hvp n GLN 61 N 0.28 -3.36 -4.99 8.23 6.02 -0.21 -4.93 117.38 118.43 9hvp n GLN 61 Ca -0.12 0.76 -0.32 0.00 -0.01 0.00 0.00 57.00 57.31 9hvp n GLN 61 Cb 0.54 -5.36 -0.14 0.00 1.02 0.00 0.00 30.24 26.30 9hvp n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 9hvp s ILE 62 N -3.33 2.78 -0.12 5.09 -1.09 0.01 -4.88 121.20 119.66 9hvp s ILE 62 Ca 0.26 -0.82 -0.13 0.00 -2.23 0.00 0.00 60.65 57.72 9hvp s ILE 62 Cb -0.03 -2.07 -0.05 0.00 -1.58 0.00 0.00 42.46 38.73 9hvp s ILE 62 CO 0.64 0.58 0.30 -0.22 -1.23 0.00 0.00 174.94 175.02 9hvp s LEU 63 N -0.54 4.31 0.05 2.97 2.96 -1.26 -1.53 118.68 125.64 9hvp s LEU 63 Ca 0.07 0.61 0.06 0.00 -0.22 0.00 0.00 54.13 54.65 9hvp s LEU 63 Cb -0.11 -2.39 -0.02 0.00 0.50 0.00 0.00 46.19 44.16 9hvp s LEU 63 CO 0.01 0.19 -0.17 -0.63 -1.32 0.00 0.00 176.35 174.43 9hvp s ILE 64 N -0.06 1.37 -0.36 6.68 1.01 -0.57 -4.38 121.20 124.90 9hvp s ILE 64 Ca 0.18 -1.14 -0.10 0.00 0.00 0.00 0.00 60.65 59.59 9hvp s ILE 64 Cb -0.14 -1.23 0.03 0.00 0.01 0.00 0.00 42.46 41.14 9hvp s ILE 64 CO 0.06 0.06 0.17 -1.61 0.00 0.00 0.00 174.94 173.62 9hvp s GLU 65 N -1.27 2.82 -0.09 2.79 2.02 -1.07 -1.45 118.70 122.45 9hvp s GLU 65 Ca 0.04 -1.07 -0.06 0.00 0.02 0.00 0.00 54.97 53.90 9hvp s GLU 65 Cb -0.09 -3.64 -0.04 0.00 0.10 0.00 0.00 34.13 30.46 9hvp s GLU 65 CO 0.02 -0.66 0.16 0.42 0.02 0.00 0.00 175.26 175.21 9hvp s ILE 66 N 1.52 5.48 -0.48 -1.63 1.01 0.35 -0.51 121.20 126.94 9hvp s ILE 66 Ca 0.01 0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.74 9hvp s ILE 66 Cb -0.19 -3.44 0.04 0.00 0.01 0.00 0.00 42.46 38.88 9hvp s ILE 66 CO 0.06 0.54 0.11 0.00 0.00 0.00 0.00 174.94 175.65 9hvp n GLY 68 N -0.89 1.71 3.37 0.00 0.00 -1.26 -4.99 105.19 103.12 9hvp n GLY 68 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 9hvp n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 9hvp s HIS 69 N -2.89 3.19 0.59 1.61 4.02 0.13 -5.03 115.29 116.91 9hvp s HIS 69 Ca 0.00 -0.93 -0.13 0.00 1.02 0.00 0.00 55.06 55.02 9hvp s HIS 69 Cb 0.00 -2.33 -0.05 0.00 -1.02 0.00 0.00 32.58 29.18 9hvp s HIS 69 CO 0.00 -0.58 1.02 0.15 1.02 0.00 0.00 174.74 176.35 9hvp s LYS 70 N 1.53 3.64 -0.22 1.40 1.02 -1.25 -0.49 119.74 125.35 9hvp s LYS 70 Ca 0.02 0.87 -0.28 0.00 0.02 0.00 0.00 55.97 56.61 9hvp s LYS 70 Cb -0.18 -2.09 0.13 0.00 -0.52 0.00 0.00 37.83 35.18 9hvp s LYS 70 CO 0.04 -0.54 1.07 0.00 -0.92 0.00 0.00 175.35 175.01 9hvp s ALA 71 N -2.92 -1.98 -0.10 5.17 0.00 -0.53 -4.94 121.76 116.46 9hvp s ALA 71 Ca 0.57 1.71 -0.02 0.00 0.00 0.00 0.00 51.96 54.23 9hvp s ALA 71 Cb -0.11 -1.10 -0.03 0.00 0.00 0.00 0.00 23.12 21.88 9hvp s ALA 71 CO 0.45 -0.26 -0.03 0.42 0.00 0.00 0.00 175.76 176.34 9hvp s ILE 72 N -0.56 4.04 0.07 0.00 1.01 -1.26 -1.51 121.20 122.99 9hvp s ILE 72 Ca 0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 60.65 60.30 9hvp s ILE 72 Cb -0.02 -2.71 0.01 0.00 0.01 0.00 0.00 42.46 39.75 9hvp s ILE 72 CO -0.03 0.57 0.13 0.61 0.00 0.00 0.00 174.94 176.22 9hvp n GLY 73 N 2.56 1.95 3.80 6.18 0.00 -0.58 -4.90 105.19 114.20 9hvp n GLY 73 Ca -0.18 -1.09 -0.36 0.00 0.00 0.00 0.00 46.02 44.38 9hvp n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 9hvp s THR 74 N -2.81 5.41 -0.02 2.61 2.01 -1.26 -0.81 115.64 120.77 9hvp s THR 74 Ca 0.03 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.33 9hvp s THR 74 Cb -0.01 -3.48 0.03 0.00 0.01 0.00 0.00 72.50 69.05 9hvp s THR 74 CO 0.02 0.52 0.02 -0.69 -0.69 0.00 0.00 174.62 173.80 9hvp s VAL 75 N -0.31 0.03 -0.22 3.82 1.01 0.72 -4.59 120.40 120.85 9hvp s VAL 75 Ca 0.13 0.17 -0.16 0.00 0.00 0.00 0.00 61.98 62.12 9hvp s VAL 75 Cb -0.12 -0.16 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 9hvp s VAL 75 CO 0.02 0.11 0.43 -0.76 0.00 0.00 0.00 175.10 174.91 9hvp s LEU 76 N 1.09 4.11 -0.10 3.92 1.43 -0.88 -0.56 118.68 127.70 9hvp s LEU 76 Ca -0.09 0.49 -0.01 0.00 -1.03 0.00 0.00 54.13 53.50 9hvp s LEU 76 Cb -0.13 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.51 9hvp s LEU 76 CO -0.03 -0.14 -0.06 -0.69 0.23 0.00 0.00 176.35 175.66 9hvp s VAL 77 N 1.66 3.75 -1.97 -1.59 1.01 -0.71 -0.73 120.40 121.83 9hvp s VAL 77 Ca 0.19 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.73 9hvp s VAL 77 Cb -0.15 -2.57 0.00 0.00 0.00 0.00 0.00 36.38 33.66 9hvp s VAL 77 CO 0.09 0.57 0.00 0.61 0.00 0.00 0.00 175.10 176.36 9hvp n GLY 78 N 2.64 -0.57 2.71 4.51 0.00 -0.66 -1.19 105.19 112.64 9hvp n GLY 78 Ca -0.18 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.62 9hvp n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 9hvp n PRO 79 N 0.00 2.82 -4.20 1.61 -0.02 -1.26 -2.98 135.00 130.98 9hvp n PRO 79 Ca 0.00 -2.48 -0.31 0.00 -2.02 0.00 0.00 63.50 58.70 9hvp n PRO 79 Cb 0.00 -3.19 -0.09 0.00 -0.02 0.00 0.00 33.50 30.20 9hvp n PRO 79 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 9hvp s THR 80 N 3.24 3.94 -1.12 3.45 -1.32 -1.26 -5.01 115.64 117.56 9hvp s THR 80 Ca 0.50 -0.93 0.18 0.00 -1.21 0.00 0.00 61.69 60.24 9hvp s THR 80 Cb 0.14 -2.84 0.20 0.00 -1.51 0.00 0.00 72.50 68.50 9hvp s THR 80 CO -0.07 0.19 1.58 -0.81 -2.21 0.00 0.00 174.62 173.30 9hvp n PRO 81 N 0.82 0.07 -3.87 7.08 -0.04 -1.26 -4.64 135.00 133.18 9hvp n PRO 81 Ca -0.12 0.17 -0.10 0.00 -0.04 0.00 0.00 63.50 63.40 9hvp n PRO 81 Cb 0.52 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.39 9hvp n PRO 81 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 9hvp s VAL 82 N -2.88 0.11 0.02 0.52 -7.23 -1.26 -5.10 120.40 104.58 9hvp s VAL 82 Ca 0.11 -0.89 -0.22 0.00 -1.81 0.00 0.00 61.98 59.18 9hvp s VAL 82 Cb 0.12 -0.81 -0.06 0.00 0.56 0.00 0.00 36.38 36.19 9hvp s VAL 82 CO 0.32 -0.49 0.64 0.20 -0.31 0.00 0.00 175.10 175.46 9hvp s ASN 83 N -1.94 7.06 -0.06 4.85 0.01 -1.26 -4.43 114.94 119.17 9hvp s ASN 83 Ca -0.07 1.26 0.04 0.00 -0.71 0.00 0.00 52.86 53.38 9hvp s ASN 83 Cb -0.02 -2.39 -0.02 0.00 0.41 0.00 0.00 41.25 39.22 9hvp s ASN 83 CO -0.03 0.11 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.87 9hvp s ILE 84 N -0.31 2.82 -0.25 0.60 1.01 -0.06 -0.65 121.20 124.36 9hvp s ILE 84 Ca 0.33 -0.80 -0.06 0.00 0.00 0.00 0.00 60.65 60.11 9hvp s ILE 84 Cb -0.19 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.17 9hvp s ILE 84 CO 0.19 0.58 0.03 -0.63 0.00 0.00 0.00 174.94 175.11 9hvp s ILE 85 N -0.52 3.88 0.54 2.92 -1.09 -0.48 -3.11 121.20 123.35 9hvp s ILE 85 Ca 0.07 -0.40 0.08 0.00 -2.23 0.00 0.00 60.65 58.17 9hvp s ILE 85 Cb -0.11 -2.83 0.08 0.00 -1.58 0.00 0.00 42.46 38.01 9hvp s ILE 85 CO 0.01 0.32 0.66 0.61 -1.23 0.00 0.00 174.94 175.32 9hvp n GLY 86 N 4.86 2.17 0.18 6.18 0.00 -1.24 -1.72 105.19 115.62 9hvp n GLY 86 Ca -0.17 -2.24 0.10 0.00 0.00 0.00 0.00 46.02 43.71 9hvp n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 9hvp h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -1.21 0.10 114.38 117.96 9hvp h ARG 87 Ca -0.28 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.77 9hvp h ARG 87 Cb 1.19 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.24 9hvp h ARG 87 CO 0.41 0.00 -0.03 -2.95 -1.07 0.00 0.00 179.97 176.32 9hvp h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.80 -2.80 115.58 116.95 9hvp h ASN 88 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.23 9hvp h ASN 88 Cb 0.28 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.50 9hvp h ASN 88 CO 0.00 0.03 -1.51 0.18 0.07 0.00 0.00 177.43 176.20 9hvp n LEU 89 N -3.13 0.07 -0.16 6.14 4.77 -0.13 -4.54 117.00 120.02 9hvp n LEU 89 Ca 0.01 -0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.06 9hvp n LEU 89 Cb 0.36 0.17 0.37 0.00 -2.33 0.00 0.00 43.42 42.00 9hvp n LEU 89 CO 0.29 0.19 1.21 -0.07 -1.33 0.00 0.00 177.39 177.69 9hvp h LEU 90 N 0.00 0.62 0.06 2.23 3.38 -1.10 0.45 115.31 120.96 9hvp h LEU 90 Ca -0.20 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.79 9hvp h LEU 90 Cb 1.46 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 42.05 9hvp h LEU 90 CO 0.01 0.40 -0.17 0.71 0.09 0.00 0.00 178.44 179.48 9hvp h THR 91 N 0.71 0.60 -0.78 0.22 1.35 -1.76 -2.09 112.91 111.17 9hvp h THR 91 Ca 0.30 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 66.19 9hvp h THR 91 Cb 0.27 0.60 -0.04 0.00 -1.73 0.00 0.00 68.15 67.25 9hvp h THR 91 CO -0.10 0.00 0.51 1.56 -0.25 0.00 0.00 175.52 177.24 9hvp h GLN 92 N -0.31 0.93 -0.11 4.72 4.20 -0.38 0.24 115.11 124.41 9hvp h GLN 92 Ca 0.04 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.69 9hvp h GLN 92 Cb 0.35 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.92 9hvp h GLN 92 CO -0.12 0.62 0.00 0.44 -0.67 0.00 0.00 178.83 179.10 9hvp n ILE 93 N -4.45 0.15 -1.00 2.54 -5.35 -0.59 -4.94 119.36 105.72 9hvp n ILE 93 Ca 0.10 -0.19 -0.00 0.00 -0.27 0.00 0.00 62.75 62.39 9hvp n ILE 93 Cb 0.11 0.06 -0.00 0.00 -1.74 0.00 0.00 39.64 38.07 9hvp n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 9hvp n GLY 94 N 0.88 0.48 3.75 3.28 0.00 0.86 -5.05 105.19 109.39 9hvp n GLY 94 Ca 0.11 -0.12 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 9hvp n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 9hvp s THR 96 N -1.26 -0.06 0.59 0.00 -4.23 -1.26 -4.74 115.64 104.68 9hvp s THR 96 Ca 0.69 0.13 -0.15 0.00 -1.18 0.00 0.00 61.69 61.18 9hvp s THR 96 Cb -0.42 -0.47 -0.04 0.00 1.34 0.00 0.00 72.50 72.90 9hvp s THR 96 CO 0.51 0.05 1.04 -0.22 -0.54 0.00 0.00 174.62 175.47 9hvp s LEU 97 N 1.38 3.46 -0.26 4.79 2.96 -1.26 -5.05 118.68 124.69 9hvp s LEU 97 Ca -0.09 1.70 -0.20 0.00 -0.22 0.00 0.00 54.13 55.32 9hvp s LEU 97 Cb -0.10 -4.52 0.07 0.00 0.50 0.00 0.00 46.19 42.15 9hvp s LEU 97 CO -0.10 -1.04 0.68 0.20 -1.32 0.00 0.00 176.35 174.76 9hvp s ASN 98 N -3.09 -0.80 0.00 3.68 0.01 -1.26 -5.29 114.94 108.19 9hvp s ASN 98 Ca 0.61 1.42 0.00 0.00 -0.71 0.00 0.00 52.86 54.18 9hvp s ASN 98 Cb -0.14 1.37 0.00 0.00 0.41 0.00 0.00 41.25 42.89 9hvp s ASN 98 CO 0.39 -0.24 0.00 2.22 -1.51 0.00 0.00 177.10 177.96