#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hvp s GLN 2 N 0.00 0.69 -0.10 -0.52 0.74 -1.26 -5.14 119.66 114.07 3hvp s GLN 2 Ca 0.00 -0.44 -0.06 0.00 0.05 0.00 0.00 55.36 54.92 3hvp s GLN 2 Cb 0.00 -2.12 -0.04 0.00 1.10 0.00 0.00 33.01 31.96 3hvp s GLN 2 CO 0.00 -0.64 0.13 0.42 -0.55 0.00 0.00 175.29 174.65 3hvp s ILE 3 N 1.84 5.36 0.22 -2.34 -1.09 -1.26 -5.10 121.20 118.83 3hvp s ILE 3 Ca -0.01 0.10 0.05 0.00 -2.23 0.00 0.00 60.65 58.56 3hvp s ILE 3 Cb -0.17 -3.35 -0.03 0.00 -1.58 0.00 0.00 42.46 37.33 3hvp s ILE 3 CO -0.08 0.58 0.26 0.42 -1.23 0.00 0.00 174.94 174.89 3hvp s THR 4 N -1.05 4.92 -0.37 2.92 -4.23 -1.26 -5.07 115.64 111.50 3hvp s THR 4 Ca 0.16 -1.07 0.06 0.00 -1.18 0.00 0.00 61.69 59.66 3hvp s THR 4 Cb -0.12 -3.62 0.49 0.00 1.34 0.00 0.00 72.50 70.59 3hvp s THR 4 CO 0.06 -0.26 1.51 0.18 -0.54 0.00 0.00 174.62 175.57 3hvp n LEU 5 N -1.02 5.13 0.23 4.79 4.77 -1.26 -4.46 117.00 125.17 3hvp n LEU 5 Ca -0.08 -4.15 0.16 0.00 -0.03 0.00 0.00 56.01 51.91 3hvp n LEU 5 Cb 0.56 -0.63 0.66 0.00 -2.33 0.00 0.00 43.42 41.68 3hvp n LEU 5 CO 0.45 1.54 0.96 -0.50 -1.33 0.00 0.00 177.39 178.50 3hvp h TRP 6 N 1.51 0.00 -1.84 -1.77 4.06 -2.06 -3.42 115.95 112.44 3hvp h TRP 6 Ca 0.35 0.00 0.07 0.00 2.06 0.00 0.00 58.89 61.37 3hvp h TRP 6 Cb 1.52 0.00 -0.22 0.00 -1.00 0.00 0.00 29.16 29.46 3hvp h TRP 6 CO 1.09 0.00 0.03 -1.14 -3.56 0.00 0.00 178.44 174.87 3hvp s GLN 7 N -3.58 0.58 0.00 0.49 2.00 -1.26 -5.11 119.66 112.78 3hvp s GLN 7 Ca 0.02 1.19 0.00 0.00 -2.00 0.00 0.00 55.36 54.56 3hvp s GLN 7 Cb 0.09 0.42 0.00 0.00 0.80 0.00 0.00 33.01 34.33 3hvp s GLN 7 CO 0.47 -0.15 0.00 2.89 -0.50 0.00 0.00 175.29 177.99 3hvp n ARG 8 N 4.71 0.00 -0.91 1.67 1.85 -1.26 -4.49 116.66 118.23 3hvp n ARG 8 Ca -0.16 0.00 -0.43 0.00 -1.00 0.00 0.00 57.85 56.26 3hvp n ARG 8 Cb 0.55 0.00 -0.09 0.00 -1.05 0.00 0.00 32.46 31.87 3hvp n ARG 8 CO 0.00 0.00 0.00 -0.35 -0.01 0.00 0.00 177.63 177.27 3hvp n PRO 9 N 0.00 0.79 -2.86 2.89 -0.04 -1.26 -4.90 135.00 129.62 3hvp n PRO 9 Ca 0.00 -1.48 -0.43 0.00 -0.04 0.00 0.00 63.50 61.55 3hvp n PRO 9 Cb 0.00 -2.79 -0.04 0.00 -0.04 0.00 0.00 33.50 30.62 3hvp n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3hvp s LEU 10 N 1.52 4.05 0.10 1.53 1.43 -1.26 -1.40 118.68 124.65 3hvp s LEU 10 Ca 0.64 0.33 0.10 0.00 -1.03 0.00 0.00 54.13 54.17 3hvp s LEU 10 Cb 0.14 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 43.16 3hvp s LEU 10 CO 0.23 -0.89 -0.25 0.68 0.23 0.00 0.00 176.35 176.34 3hvp s VAL 11 N 3.45 2.09 -0.04 -1.59 -7.23 -0.73 -4.91 120.40 111.44 3hvp s VAL 11 Ca 0.35 -1.60 -0.21 0.00 -1.81 0.00 0.00 61.98 58.72 3hvp s VAL 11 Cb -0.12 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.94 3hvp s VAL 11 CO 0.21 0.12 0.59 0.28 -0.31 0.00 0.00 175.10 175.99 3hvp s THR 12 N -1.01 5.00 0.13 5.32 -1.32 -1.26 -0.42 115.64 122.08 3hvp s THR 12 Ca 0.12 1.22 0.08 0.00 -1.21 0.00 0.00 61.69 61.90 3hvp s THR 12 Cb -0.10 -3.93 -0.04 0.00 -1.51 0.00 0.00 72.50 66.93 3hvp s THR 12 CO 0.05 0.36 -0.20 -0.51 -2.21 0.00 0.00 174.62 172.11 3hvp s ILE 13 N 0.18 1.78 -0.09 5.08 2.07 0.11 -4.83 121.20 125.49 3hvp s ILE 13 Ca 0.31 -1.69 0.04 0.00 -1.41 0.00 0.00 60.65 57.90 3hvp s ILE 13 Cb -0.17 -1.68 0.00 0.00 0.13 0.00 0.00 42.46 40.74 3hvp s ILE 13 CO 0.16 -0.14 -0.22 -0.60 -1.91 0.00 0.00 174.94 172.22 3hvp s ARG 14 N -2.23 2.84 -0.29 3.50 3.52 0.18 -0.66 118.95 125.81 3hvp s ARG 14 Ca 0.10 -0.81 -0.03 0.00 -0.13 0.00 0.00 55.73 54.86 3hvp s ARG 14 Cb -0.09 -2.16 0.11 0.00 -1.56 0.00 0.00 34.95 31.25 3hvp s ARG 14 CO 0.05 0.16 0.16 -1.50 -0.81 0.00 0.00 175.30 173.36 3hvp s ILE 15 N 0.39 -0.12 -0.63 4.11 2.07 0.52 0.48 121.20 128.02 3hvp s ILE 15 Ca -0.18 -0.74 -0.03 0.00 -1.41 0.00 0.00 60.65 58.28 3hvp s ILE 15 Cb -0.18 -0.98 0.00 0.00 0.13 0.00 0.00 42.46 41.43 3hvp s ILE 15 CO 0.08 -0.70 0.63 0.61 -1.91 0.00 0.00 174.94 173.66 3hvp n GLY 16 N 5.22 -1.20 2.64 1.50 0.00 -1.26 -3.56 105.19 108.54 3hvp n GLY 16 Ca -0.05 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.55 3hvp n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hvp n GLY 17 N -1.44 2.08 3.71 -0.02 0.00 -1.26 -4.89 105.19 103.37 3hvp n GLY 17 Ca 0.02 -0.31 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 3hvp n GLY 17 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hvp n GLN 18 N 0.00 2.55 -4.42 1.61 1.13 -1.23 -5.05 117.38 111.96 3hvp n GLN 18 Ca 0.00 0.91 -0.27 0.00 -1.94 0.00 0.00 57.00 55.70 3hvp n GLN 18 Cb 0.00 -2.70 -0.09 0.00 0.11 0.00 0.00 30.24 27.56 3hvp n GLN 18 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3hvp s LEU 19 N 0.40 2.94 0.00 1.08 1.43 -1.26 0.20 118.68 123.46 3hvp s LEU 19 Ca 0.71 -1.27 0.00 0.00 -1.03 0.00 0.00 54.13 52.54 3hvp s LEU 19 Cb -0.55 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 44.57 3hvp s LEU 19 CO 0.41 -0.52 0.00 2.29 0.23 0.00 0.00 176.35 178.76 3hvp n LYS 20 N -1.10 -2.75 -4.48 1.70 2.85 0.17 -4.90 118.16 109.64 3hvp n LYS 20 Ca -0.04 0.00 -0.23 0.00 -1.05 0.00 0.00 58.31 56.99 3hvp n LYS 20 Cb 0.66 0.00 -0.11 0.00 -0.65 0.00 0.00 35.03 34.93 3hvp n LYS 20 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 3hvp s GLU 21 N -2.00 1.68 0.29 -1.58 -1.05 -1.26 0.04 118.70 114.82 3hvp s GLU 21 Ca 0.00 -1.89 -0.20 0.00 -0.15 0.00 0.00 54.97 52.73 3hvp s GLU 21 Cb 0.00 -1.26 0.04 0.00 -0.44 0.00 0.00 34.13 32.47 3hvp s GLU 21 CO 0.00 -0.01 0.81 0.00 0.95 0.00 0.00 175.26 177.01 3hvp s ALA 22 N -2.96 -1.14 0.09 -0.84 0.00 0.44 -4.63 121.76 112.72 3hvp s ALA 22 Ca 0.32 -0.41 -0.23 0.00 0.00 0.00 0.00 51.96 51.64 3hvp s ALA 22 Cb 0.06 0.75 -0.07 0.00 0.00 0.00 0.00 23.12 23.86 3hvp s ALA 22 CO 0.14 -1.02 0.71 -0.51 0.00 0.00 0.00 175.76 175.08 3hvp s LEU 23 N -3.03 4.52 0.24 0.00 1.43 -1.14 -1.77 118.68 118.94 3hvp s LEU 23 Ca 0.14 1.45 -0.30 0.00 -1.03 0.00 0.00 54.13 54.39 3hvp s LEU 23 Cb -0.05 -3.15 -0.10 0.00 0.03 0.00 0.00 46.19 42.93 3hvp s LEU 23 CO 0.08 0.16 1.38 -0.76 0.23 0.00 0.00 176.35 177.43 3hvp s LEU 24 N -0.71 4.40 -0.28 1.79 1.43 -0.50 0.06 118.68 124.87 3hvp s LEU 24 Ca 0.35 2.58 0.00 0.00 -1.03 0.00 0.00 54.13 56.03 3hvp s LEU 24 Cb -0.21 -3.62 0.15 0.00 0.03 0.00 0.00 46.19 42.53 3hvp s LEU 24 CO 0.23 -0.62 0.36 -0.62 0.23 0.00 0.00 176.35 175.93 3hvp s ASP 25 N 0.22 0.82 0.00 2.29 2.15 -1.19 -4.69 116.67 116.26 3hvp s ASP 25 Ca 0.57 -0.42 0.06 0.00 0.43 0.00 0.00 52.55 53.18 3hvp s ASP 25 Cb -0.40 0.89 0.35 0.00 -0.30 0.00 0.00 42.92 43.46 3hvp s ASP 25 CO 0.43 -0.36 0.94 0.35 -0.17 0.00 0.00 175.17 176.36 3hvp n THR 26 N 5.34 0.00 0.07 1.71 -2.24 -1.26 -3.07 114.28 114.83 3hvp n THR 26 Ca -0.01 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.73 3hvp n THR 26 Cb 0.48 -0.30 -0.02 0.00 -2.10 0.00 0.00 70.33 68.40 3hvp n THR 26 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 3hvp h GLY 27 N 3.88 -0.25 -3.26 3.38 0.00 -1.95 -3.47 103.07 101.41 3hvp h GLY 27 Ca 0.00 0.09 -0.51 0.00 0.00 0.00 0.00 47.33 46.91 3hvp h GLY 27 CO 0.00 -0.09 0.54 0.00 0.00 0.00 0.00 176.54 176.99 3hvp s ALA 28 N -3.32 3.20 0.02 3.60 0.00 -1.18 -4.95 121.76 119.14 3hvp s ALA 28 Ca -0.03 1.05 -0.17 0.00 0.00 0.00 0.00 51.96 52.80 3hvp s ALA 28 Cb 0.00 -3.41 -0.30 0.00 0.00 0.00 0.00 23.12 19.41 3hvp s ALA 28 CO 0.10 -0.60 1.03 -0.44 0.00 0.00 0.00 175.76 175.85 3hvp h ASP 29 N 2.72 0.74 -3.03 0.00 5.19 -1.91 0.14 116.42 120.27 3hvp h ASP 29 Ca -0.49 -0.87 -0.67 0.00 -0.62 0.00 0.00 57.03 54.39 3hvp h ASP 29 Cb 1.24 -0.23 -0.10 0.00 0.18 0.00 0.00 39.33 40.41 3hvp h ASP 29 CO 0.63 1.54 -0.56 -1.81 -3.12 0.00 0.00 179.24 175.92 3hvp s ASP 30 N -7.27 5.78 -0.02 6.45 1.11 -1.26 -2.42 116.67 119.04 3hvp s ASP 30 Ca -0.11 0.24 -0.18 0.00 0.18 0.00 0.00 52.55 52.68 3hvp s ASP 30 Cb 0.04 -1.72 -0.05 0.00 1.07 0.00 0.00 42.92 42.25 3hvp s ASP 30 CO 0.90 0.34 0.51 -0.89 1.18 0.00 0.00 175.17 177.21 3hvp s THR 31 N -1.07 4.98 -0.14 -1.27 2.01 -1.26 -2.67 115.64 116.23 3hvp s THR 31 Ca 0.18 1.07 -0.04 0.00 0.31 0.00 0.00 61.69 63.21 3hvp s THR 31 Cb -0.12 -3.84 0.07 0.00 0.01 0.00 0.00 72.50 68.62 3hvp s THR 31 CO 0.08 0.46 0.23 -0.69 -0.69 0.00 0.00 174.62 174.01 3hvp s VAL 32 N -0.35 -0.37 0.12 3.82 1.01 -0.69 -2.35 120.40 121.59 3hvp s VAL 32 Ca 0.28 0.21 0.08 0.00 0.00 0.00 0.00 61.98 62.54 3hvp s VAL 32 Cb -0.17 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.70 3hvp s VAL 32 CO 0.15 0.06 -0.11 -0.76 0.00 0.00 0.00 175.10 174.43 3hvp s LEU 33 N 2.38 2.99 0.68 3.92 1.43 -0.95 -0.50 118.68 128.63 3hvp s LEU 33 Ca 0.03 -0.44 -0.17 0.00 -1.03 0.00 0.00 54.13 52.52 3hvp s LEU 33 Cb -0.13 -1.77 0.01 0.00 0.03 0.00 0.00 46.19 44.33 3hvp s LEU 33 CO -0.09 0.16 1.27 -1.83 0.23 0.00 0.00 176.35 176.10 3hvp s GLU 34 N -2.31 2.39 -0.49 1.70 -1.05 -1.26 -2.01 118.70 115.68 3hvp s GLU 34 Ca 0.22 1.98 -0.45 0.00 -0.15 0.00 0.00 54.97 56.57 3hvp s GLU 34 Cb -0.11 -1.84 -0.19 0.00 -0.44 0.00 0.00 34.13 31.56 3hvp s GLU 34 CO 0.14 -1.70 1.83 -1.91 0.95 0.00 0.00 175.26 174.57 3hvp n GLU 35 N -2.18 0.09 -3.97 -4.83 4.07 -1.13 -4.62 120.64 108.07 3hvp n GLU 35 Ca 0.15 0.03 -0.09 0.00 -0.06 0.00 0.00 57.16 57.19 3hvp n GLU 35 Cb 0.49 -1.56 -0.08 0.00 -0.06 0.00 0.00 31.44 30.23 3hvp n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3hvp s MET 36 N 4.28 1.02 -1.10 5.31 0.23 -1.26 -5.01 119.30 122.77 3hvp s MET 36 Ca 1.11 -1.16 -0.08 0.00 -1.03 0.00 0.00 55.69 54.52 3hvp s MET 36 Cb -1.46 0.34 0.28 0.00 -1.53 0.00 0.00 34.83 32.46 3hvp s MET 36 CO 0.74 -0.34 1.14 -1.71 -2.03 0.00 0.00 175.02 172.82 3hvp n ASN 37 N -0.14 5.56 -4.88 -1.18 5.15 -1.26 -4.98 115.26 113.53 3hvp n ASN 37 Ca -0.09 -3.09 -0.32 0.00 -0.60 0.00 0.00 54.58 50.48 3hvp n ASN 37 Cb 0.63 -1.35 -0.05 0.00 -0.53 0.00 0.00 39.78 38.48 3hvp n ASN 37 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3hvp s LEU 38 N -1.48 4.16 0.00 1.20 1.43 -1.26 -5.07 118.68 117.66 3hvp s LEU 38 Ca 0.31 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.32 3hvp s LEU 38 Cb -0.08 -3.67 0.00 0.00 0.03 0.00 0.00 46.19 42.47 3hvp s LEU 38 CO -0.06 -0.08 0.00 -0.81 0.23 0.00 0.00 176.35 175.63 3hvp n PRO 39 N -0.17 0.00 -0.17 1.29 -0.04 -1.26 -5.05 135.00 129.60 3hvp n PRO 39 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3hvp n PRO 39 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 3hvp n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3hvp n GLY 40 N 0.00 0.00 3.76 0.55 0.00 -1.26 -4.92 105.19 103.31 3hvp n GLY 40 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3hvp n GLY 40 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3hvp n LYS 41 N 0.67 2.64 -3.88 1.61 4.81 -1.26 -4.98 118.16 117.77 3hvp n LYS 41 Ca 0.00 0.93 -0.11 0.00 -0.87 0.00 0.00 58.31 58.26 3hvp n LYS 41 Cb 0.00 -2.67 -0.13 0.00 0.02 0.00 0.00 35.03 32.25 3hvp n LYS 41 CO 0.00 0.00 0.00 1.67 1.17 0.00 0.00 177.40 180.24 3hvp s TRP 42 N -0.68 0.02 0.36 5.64 -0.00 -1.26 -4.34 118.94 118.68 3hvp s TRP 42 Ca 0.58 -0.03 0.07 0.00 -0.00 0.00 0.00 56.10 56.73 3hvp s TRP 42 Cb -0.49 -0.03 -0.02 0.00 -0.00 0.00 0.00 33.47 32.93 3hvp s TRP 42 CO 0.58 -0.07 0.36 0.15 -0.00 0.00 0.00 176.95 177.97 3hvp s LYS 43 N -0.33 2.74 -0.25 3.25 -0.14 -1.22 -4.90 119.74 118.89 3hvp s LYS 43 Ca -0.04 -1.31 -0.08 0.00 -1.36 0.00 0.00 55.97 53.17 3hvp s LYS 43 Cb -0.02 -2.52 -0.04 0.00 -1.68 0.00 0.00 37.83 33.57 3hvp s LYS 43 CO -0.00 -0.01 0.11 -1.25 -0.76 0.00 0.00 175.35 173.43 3hvp s PRO 44 N -4.08 3.78 0.04 -1.68 0.04 -1.26 0.05 135.00 131.89 3hvp s PRO 44 Ca 0.45 -0.41 0.05 0.00 0.04 0.00 0.00 61.00 61.12 3hvp s PRO 44 Cb -0.06 -3.41 -0.02 0.00 0.04 0.00 0.00 34.50 31.05 3hvp s PRO 44 CO 0.28 -0.13 -0.15 0.21 0.04 0.00 0.00 177.00 177.25 3hvp s LYS 45 N 1.52 0.98 -0.52 4.56 2.47 -0.15 -4.90 119.74 123.70 3hvp s LYS 45 Ca 0.06 -0.80 -0.19 0.00 -1.56 0.00 0.00 55.97 53.48 3hvp s LYS 45 Cb -0.15 -1.01 0.06 0.00 -1.46 0.00 0.00 37.83 35.27 3hvp s LYS 45 CO 0.05 0.25 0.66 1.41 0.16 0.00 0.00 175.35 177.89 3hvp s MET 46 N -1.19 3.13 0.09 4.03 0.00 -1.26 0.11 119.30 124.20 3hvp s MET 46 Ca 0.02 -0.89 0.04 0.00 0.00 0.00 0.00 55.69 54.86 3hvp s MET 46 Cb -0.08 -4.12 -0.04 0.00 0.00 0.00 0.00 34.83 30.59 3hvp s MET 46 CO 0.01 -1.29 0.04 0.96 0.00 0.00 0.00 175.02 174.74 3hvp s ILE 47 N 2.75 4.24 0.40 10.11 -4.36 0.10 -4.87 121.20 129.58 3hvp s ILE 47 Ca 0.16 -0.91 0.01 0.00 -0.26 0.00 0.00 60.65 59.65 3hvp s ILE 47 Cb -0.19 -3.04 -0.01 0.00 1.25 0.00 0.00 42.46 40.47 3hvp s ILE 47 CO 0.12 0.11 0.61 -0.83 0.24 0.00 0.00 174.94 175.19 3hvp s GLY 48 N -2.38 1.49 0.00 6.27 0.00 -1.24 0.91 107.32 112.36 3hvp s GLY 48 Ca 0.27 -1.03 0.00 0.00 0.00 0.00 0.00 44.72 43.96 3hvp s GLY 48 CO 0.20 -0.91 0.00 0.61 0.00 0.00 0.00 173.10 173.00 3hvp n GLY 49 N -1.94 -0.42 3.04 0.20 0.00 0.12 -4.87 105.19 101.32 3hvp n GLY 49 Ca -0.01 0.66 -0.00 0.00 0.00 0.00 0.00 46.02 46.67 3hvp n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3hvp n ILE 50 N 0.00 -4.22 0.00 -0.61 -0.00 -1.26 -3.19 119.36 110.08 3hvp n ILE 50 Ca 0.00 0.77 0.00 0.00 -0.00 0.00 0.00 62.75 63.52 3hvp n ILE 50 Cb 0.00 -3.78 0.00 0.00 -0.00 0.00 0.00 39.64 35.86 3hvp n ILE 50 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 3hvp n GLY 51 N 1.56 2.03 0.00 7.39 0.00 -1.26 -4.96 105.19 109.95 3hvp n GLY 51 Ca -0.04 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.32 3hvp n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hvp n GLY 52 N 0.00 0.99 3.64 -0.02 0.00 -1.19 -5.07 105.19 103.53 3hvp n GLY 52 Ca 0.00 -0.33 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 3hvp n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hvp s PHE 53 N 0.00 3.30 -0.05 1.61 0.08 -1.26 0.12 117.98 121.78 3hvp s PHE 53 Ca 0.00 1.13 0.04 0.00 0.12 0.00 0.00 56.93 58.23 3hvp s PHE 53 Cb 0.00 -3.09 -0.02 0.00 -0.57 0.00 0.00 43.02 39.34 3hvp s PHE 53 CO 0.00 -0.43 -0.18 0.42 -0.10 0.00 0.00 175.22 174.94 3hvp s ILE 54 N 2.89 2.75 -0.55 0.64 -1.09 0.26 -4.97 121.20 121.14 3hvp s ILE 54 Ca 0.35 -0.83 -0.17 0.00 -2.23 0.00 0.00 60.65 57.77 3hvp s ILE 54 Cb -0.15 -2.06 0.11 0.00 -1.58 0.00 0.00 42.46 38.78 3hvp s ILE 54 CO 0.08 0.58 0.57 -0.75 -1.23 0.00 0.00 174.94 174.19 3hvp s LYS 55 N -0.52 3.02 0.00 2.79 2.20 -1.26 0.02 119.74 125.98 3hvp s LYS 55 Ca 0.07 -1.44 0.00 0.00 -0.36 0.00 0.00 55.97 54.24 3hvp s LYS 55 Cb -0.11 -4.25 0.00 0.00 -1.51 0.00 0.00 37.83 31.96 3hvp s LYS 55 CO 0.01 -1.36 0.00 1.33 -0.36 0.00 0.00 175.35 174.98 3hvp n VAL 56 N 5.39 0.00 -3.86 4.02 0.24 0.30 -4.71 118.33 119.71 3hvp n VAL 56 Ca -0.11 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.03 3hvp n VAL 56 Cb 0.42 -1.11 -0.16 0.00 -1.47 0.00 0.00 33.84 31.52 3hvp n VAL 56 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hvp s ARG 57 N 0.68 0.12 -0.76 7.34 1.70 0.71 -0.97 118.95 127.76 3hvp s ARG 57 Ca 0.00 0.11 -0.26 0.00 -0.47 0.00 0.00 55.73 55.11 3hvp s ARG 57 Cb 0.00 -0.33 0.02 0.00 -0.57 0.00 0.00 34.95 34.07 3hvp s ARG 57 CO 0.00 -0.13 1.41 -1.14 -1.08 0.00 0.00 175.30 174.37 3hvp s GLN 58 N 0.91 3.14 0.22 3.89 0.74 0.11 -1.03 119.66 127.63 3hvp s GLN 58 Ca -0.08 -0.23 -0.12 0.00 0.05 0.00 0.00 55.36 54.98 3hvp s GLN 58 Cb -0.12 -4.40 -0.07 0.00 1.10 0.00 0.00 33.01 29.52 3hvp s GLN 58 CO -0.02 -2.29 0.58 0.71 -0.55 0.00 0.00 175.29 173.72 3hvp s TYR 59 N 6.29 3.47 -0.88 1.67 1.51 0.72 -3.37 117.35 126.77 3hvp s TYR 59 Ca 0.43 0.98 0.18 0.00 -1.01 0.00 0.00 57.07 57.64 3hvp s TYR 59 Cb -0.08 -2.33 -0.18 0.00 -0.11 0.00 0.00 41.96 39.26 3hvp s TYR 59 CO 0.12 0.29 0.76 -0.25 -1.11 0.00 0.00 175.55 175.37 3hvp n ASP 60 N 0.12 0.88 -0.56 2.29 8.00 -1.26 -2.10 116.55 123.91 3hvp n ASP 60 Ca -0.01 -0.94 -0.00 0.00 0.71 0.00 0.00 54.79 54.55 3hvp n ASP 60 Cb 0.52 0.98 -0.00 0.00 -0.02 0.00 0.00 41.12 42.60 3hvp n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3hvp n GLN 61 N -1.36 0.00 -1.57 -1.24 6.02 -1.26 -4.33 117.38 113.65 3hvp n GLN 61 Ca 0.04 -0.71 -0.55 0.00 -0.01 0.00 0.00 57.00 55.76 3hvp n GLN 61 Cb 0.28 -0.28 -0.07 0.00 1.02 0.00 0.00 30.24 31.19 3hvp n GLN 61 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3hvp n ILE 62 N 0.02 0.02 -3.09 5.09 2.08 -1.08 -4.41 119.36 117.99 3hvp n ILE 62 Ca -0.00 -0.00 -0.35 0.00 0.56 0.00 0.00 62.75 62.95 3hvp n ILE 62 Cb 0.65 -0.54 -0.06 0.00 -0.75 0.00 0.00 39.64 38.94 3hvp n ILE 62 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3hvp s PRO 63 N 0.61 4.18 -0.01 0.38 0.04 -1.26 0.58 135.00 139.52 3hvp s PRO 63 Ca 0.88 0.83 0.02 0.00 0.04 0.00 0.00 61.00 62.78 3hvp s PRO 63 Cb -1.09 -2.70 -0.00 0.00 0.04 0.00 0.00 34.50 30.74 3hvp s PRO 63 CO 0.53 0.29 -0.07 0.08 0.04 0.00 0.00 177.00 177.87 3hvp s VAL 64 N -1.71 0.58 -0.38 -0.36 1.01 0.20 -4.70 120.40 115.05 3hvp s VAL 64 Ca 0.48 -0.30 -0.09 0.00 0.00 0.00 0.00 61.98 62.07 3hvp s VAL 64 Cb -0.14 -0.50 0.05 0.00 0.00 0.00 0.00 36.38 35.79 3hvp s VAL 64 CO 0.20 0.17 0.19 -0.70 0.00 0.00 0.00 175.10 174.95 3hvp s GLU 65 N -0.10 2.66 -0.44 2.72 2.12 0.18 -1.22 118.70 124.63 3hvp s GLU 65 Ca 0.02 -1.25 0.04 0.00 0.36 0.00 0.00 54.97 54.14 3hvp s GLU 65 Cb -0.04 -3.64 0.56 0.00 0.26 0.00 0.00 34.13 31.26 3hvp s GLU 65 CO -0.00 -0.77 1.75 -0.89 -0.54 0.00 0.00 175.26 174.81 3hvp n ILE 66 N 4.90 3.05 0.00 -3.70 5.41 -1.26 -0.65 119.36 127.11 3hvp n ILE 66 Ca -0.11 -2.59 0.00 0.00 1.00 0.00 0.00 62.75 61.05 3hvp n ILE 66 Cb 0.44 -0.63 0.00 0.00 -0.71 0.00 0.00 39.64 38.74 3hvp n ILE 66 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3hvp n GLY 68 N -1.06 0.00 3.81 7.39 0.00 -1.26 -4.71 105.19 109.36 3hvp n GLY 68 Ca 0.51 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.25 3hvp n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hvp s HIS 69 N 0.00 3.22 0.22 1.61 3.76 -1.26 -5.09 115.29 117.75 3hvp s HIS 69 Ca 0.00 0.05 0.05 0.00 -0.15 0.00 0.00 55.06 55.00 3hvp s HIS 69 Cb 0.00 -1.58 -0.03 0.00 1.11 0.00 0.00 32.58 32.08 3hvp s HIS 69 CO 0.00 0.52 0.32 0.15 -0.85 0.00 0.00 174.74 174.88 3hvp s LYS 70 N -2.81 3.37 0.06 1.40 1.02 -1.26 -4.26 119.74 117.26 3hvp s LYS 70 Ca 0.31 -0.76 -0.26 0.00 0.02 0.00 0.00 55.97 55.28 3hvp s LYS 70 Cb -0.11 -2.86 0.09 0.00 -0.52 0.00 0.00 37.83 34.42 3hvp s LYS 70 CO 0.24 0.45 0.75 0.00 -0.92 0.00 0.00 175.35 175.86 3hvp s ALA 71 N -1.94 -1.72 -0.13 5.17 0.00 -0.35 -4.70 121.76 118.09 3hvp s ALA 71 Ca 0.34 0.81 -0.00 0.00 0.00 0.00 0.00 51.96 53.11 3hvp s ALA 71 Cb -0.09 0.56 0.02 0.00 0.00 0.00 0.00 23.12 23.61 3hvp s ALA 71 CO 0.28 -0.69 -0.10 0.42 0.00 0.00 0.00 175.76 175.67 3hvp s ILE 72 N -3.21 1.25 0.14 0.00 1.01 -1.26 0.58 121.20 119.72 3hvp s ILE 72 Ca 0.02 -0.43 -0.11 0.00 0.00 0.00 0.00 60.65 60.12 3hvp s ILE 72 Cb -0.01 -1.22 0.01 0.00 0.01 0.00 0.00 42.46 41.24 3hvp s ILE 72 CO -0.09 0.41 0.31 -0.83 0.00 0.00 0.00 174.94 174.74 3hvp s GLY 73 N 1.59 0.17 -0.43 6.18 0.00 0.19 -4.96 107.32 110.06 3hvp s GLY 73 Ca 0.04 -0.58 -0.26 0.00 0.00 0.00 0.00 44.72 43.92 3hvp s GLY 73 CO -0.09 -0.66 0.94 -1.59 0.00 0.00 0.00 173.10 171.70 3hvp s THR 74 N -3.90 4.49 -0.16 0.90 2.01 -1.26 -2.63 115.64 115.08 3hvp s THR 74 Ca 0.11 0.93 -0.08 0.00 0.31 0.00 0.00 61.69 62.95 3hvp s THR 74 Cb 0.03 -4.41 -0.04 0.00 0.01 0.00 0.00 72.50 68.08 3hvp s THR 74 CO -0.05 -0.75 0.12 -0.69 -0.69 0.00 0.00 174.62 172.56 3hvp s VAL 75 N 3.72 5.36 -0.33 3.82 1.01 -0.89 -4.48 120.40 128.60 3hvp s VAL 75 Ca 0.38 0.16 -0.14 0.00 0.00 0.00 0.00 61.98 62.39 3hvp s VAL 75 Cb -0.10 -3.39 -0.02 0.00 0.00 0.00 0.00 36.38 32.86 3hvp s VAL 75 CO 0.24 0.52 0.30 -0.76 0.00 0.00 0.00 175.10 175.40 3hvp s LEU 76 N -0.21 4.40 -0.15 3.92 1.43 -0.99 -0.20 118.68 126.88 3hvp s LEU 76 Ca 0.10 -0.24 -0.10 0.00 -1.03 0.00 0.00 54.13 52.87 3hvp s LEU 76 Cb -0.12 -2.25 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 3hvp s LEU 76 CO 0.01 -0.26 0.19 -0.69 0.23 0.00 0.00 176.35 175.82 3hvp s VAL 77 N 1.89 5.40 -2.55 -1.59 1.01 -0.20 -2.23 120.40 122.14 3hvp s VAL 77 Ca 0.10 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.39 3hvp s VAL 77 Cb -0.17 -3.50 0.00 0.00 0.00 0.00 0.00 36.38 32.72 3hvp s VAL 77 CO 0.11 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.32 3hvp n GLY 78 N 2.84 -1.75 2.72 4.51 0.00 -0.85 -0.21 105.19 112.45 3hvp n GLY 78 Ca -0.16 -1.11 -0.03 0.00 0.00 0.00 0.00 46.02 44.71 3hvp n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hvp n PRO 79 N -0.31 0.36 -3.47 1.61 -0.02 -1.26 -2.85 135.00 129.06 3hvp n PRO 79 Ca 0.00 -0.46 -0.37 0.00 -2.02 0.00 0.00 63.50 60.65 3hvp n PRO 79 Cb 0.00 -1.87 -0.07 0.00 -0.02 0.00 0.00 33.50 31.54 3hvp n PRO 79 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 3hvp s THR 80 N 3.88 5.26 0.27 3.45 -1.32 -1.26 -4.94 115.64 120.97 3hvp s THR 80 Ca 0.08 0.69 0.00 0.00 -1.21 0.00 0.00 61.69 61.25 3hvp s THR 80 Cb 0.03 -3.69 0.25 0.00 -1.51 0.00 0.00 72.50 67.58 3hvp s THR 80 CO -0.00 0.38 1.75 -0.65 -2.21 0.00 0.00 174.62 173.89 3hvp h PRO 81 N 6.57 0.56 -3.85 7.08 0.11 -1.97 -3.39 132.00 137.11 3hvp h PRO 81 Ca -0.42 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 65.49 3hvp h PRO 81 Cb 1.17 -0.13 -0.22 0.00 0.11 0.00 0.00 31.00 31.94 3hvp h PRO 81 CO 0.75 0.37 -0.66 0.54 -0.21 0.00 0.00 178.00 178.79 3hvp s VAL 82 N -5.95 0.09 0.45 3.15 0.11 -1.26 -5.06 120.40 111.94 3hvp s VAL 82 Ca -0.12 -0.75 -0.22 0.00 -2.93 0.00 0.00 61.98 57.96 3hvp s VAL 82 Cb 0.23 -0.27 -0.09 0.00 -1.53 0.00 0.00 36.38 34.72 3hvp s VAL 82 CO 0.78 -0.41 1.05 0.20 -3.33 0.00 0.00 175.10 173.38 3hvp s ASN 83 N -1.25 6.48 -0.13 3.54 0.01 -1.26 -4.77 114.94 117.56 3hvp s ASN 83 Ca -0.14 1.98 -0.13 0.00 -0.71 0.00 0.00 52.86 53.87 3hvp s ASN 83 Cb -0.08 -2.57 0.03 0.00 0.41 0.00 0.00 41.25 39.04 3hvp s ASN 83 CO -0.00 -0.68 0.35 -0.63 -1.51 0.00 0.00 177.10 174.63 3hvp s ILE 84 N -1.85 0.00 -0.34 0.60 1.01 0.35 -2.88 121.20 118.09 3hvp s ILE 84 Ca 0.64 -0.03 0.04 0.00 0.00 0.00 0.00 60.65 61.30 3hvp s ILE 84 Cb -0.19 -0.51 0.10 0.00 0.01 0.00 0.00 42.46 41.87 3hvp s ILE 84 CO 0.23 -0.02 0.05 0.27 0.00 0.00 0.00 174.94 175.47 3hvp s ILE 85 N 0.09 2.24 0.65 2.92 -5.25 0.11 -1.71 121.20 120.25 3hvp s ILE 85 Ca -0.01 -2.30 -0.09 0.00 -0.99 0.00 0.00 60.65 57.26 3hvp s ILE 85 Cb -0.03 -2.65 0.14 0.00 2.95 0.00 0.00 42.46 42.87 3hvp s ILE 85 CO 0.01 -0.59 0.31 0.61 -1.79 0.00 0.00 174.94 173.49 3hvp n GLY 86 N 4.27 -2.21 0.30 6.27 0.00 -1.09 -3.19 105.19 109.54 3hvp n GLY 86 Ca 0.03 -0.72 -0.06 0.00 0.00 0.00 0.00 46.02 45.28 3hvp n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hvp h ARG 87 N 0.00 0.91 -0.71 1.61 3.08 -0.77 -0.82 114.38 117.68 3hvp h ARG 87 Ca -0.14 -0.25 0.15 0.00 0.07 0.00 0.00 59.98 59.81 3hvp h ARG 87 Cb 0.47 -0.10 -0.11 0.00 0.08 0.00 0.00 29.97 30.31 3hvp h ARG 87 CO 0.08 0.89 0.14 -2.95 -1.07 0.00 0.00 179.97 177.06 3hvp h ASN 88 N 0.85 -0.05 0.60 7.04 -1.07 -1.69 0.56 115.58 121.81 3hvp h ASN 88 Ca 0.16 0.15 0.00 0.00 0.07 0.00 0.00 56.30 56.68 3hvp h ASN 88 Cb 0.46 0.21 0.00 0.00 -2.07 0.00 0.00 38.32 36.93 3hvp h ASN 88 CO 0.02 -0.05 -1.21 0.18 0.07 0.00 0.00 177.43 176.44 3hvp n LEU 89 N -5.18 0.59 0.17 6.14 4.77 -1.12 -4.29 117.00 118.07 3hvp n LEU 89 Ca 0.13 0.14 -0.09 0.00 -0.03 0.00 0.00 56.01 56.16 3hvp n LEU 89 Cb 0.43 -0.06 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 3hvp n LEU 89 CO 0.12 -0.07 0.51 -0.07 -1.33 0.00 0.00 177.39 176.56 3hvp h LEU 90 N 0.00 -0.65 -0.37 2.23 3.38 0.15 -2.14 115.31 117.91 3hvp h LEU 90 Ca 0.00 0.05 0.11 0.00 0.09 0.00 0.00 57.88 58.13 3hvp h LEU 90 Cb 0.90 0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.79 3hvp h LEU 90 CO 0.00 -0.34 0.03 0.41 0.09 0.00 0.00 178.44 178.63 3hvp n THR 91 N -3.82 -0.16 0.02 0.22 -1.04 -0.15 -1.51 114.28 107.85 3hvp n THR 91 Ca -0.06 0.81 -0.02 0.00 -2.04 0.00 0.00 64.05 62.75 3hvp n THR 91 Cb 0.23 -1.21 -0.01 0.00 -1.82 0.00 0.00 70.33 67.53 3hvp n THR 91 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 3hvp h GLN 92 N 0.00 -0.11 0.00 -2.82 1.08 -1.58 -3.14 115.11 108.55 3hvp h GLN 92 Ca 0.24 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 3hvp h GLN 92 Cb 0.52 0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.97 3hvp h GLN 92 CO -0.34 -0.07 0.00 0.44 -0.95 0.00 0.00 178.83 177.91 3hvp n ILE 93 N -3.62 0.00 -1.89 2.54 -5.35 -0.57 -5.08 119.36 105.40 3hvp n ILE 93 Ca -0.01 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.46 3hvp n ILE 93 Cb 0.04 -0.99 -0.01 0.00 -1.74 0.00 0.00 39.64 36.94 3hvp n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3hvp n GLY 94 N -0.87 -4.48 0.00 3.28 0.00 -1.11 -5.08 105.19 96.93 3hvp n GLY 94 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3hvp n GLY 94 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hvp n THR 96 N 1.03 0.00 -4.67 2.61 -2.24 -1.26 -5.01 114.28 104.73 3hvp n THR 96 Ca -0.08 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.37 3hvp n THR 96 Cb 0.12 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.23 3hvp n THR 96 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 3hvp s LEU 97 N 0.00 2.99 0.03 3.22 1.43 -1.26 -5.09 118.68 120.00 3hvp s LEU 97 Ca 0.00 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 52.96 3hvp s LEU 97 Cb 0.00 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.54 3hvp s LEU 97 CO 0.00 0.27 -0.05 0.20 0.23 0.00 0.00 176.35 177.00 3hvp s ASN 98 N -0.26 0.52 0.00 2.29 0.02 -1.26 -5.30 114.94 110.95 3hvp s ASN 98 Ca 0.03 -0.51 0.00 0.00 -1.02 0.00 0.00 52.86 51.35 3hvp s ASN 98 Cb -0.13 0.07 0.00 0.00 0.02 0.00 0.00 41.25 41.21 3hvp s ASN 98 CO 0.03 -0.25 0.00 2.22 0.02 0.00 0.00 177.10 179.12