#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hhn n PRO 8 N 0.00 -0.00 -3.63 2.89 -0.02 -1.26 -4.93 135.00 128.05 3hhn n PRO 8 Ca 0.00 0.01 -0.11 0.00 -2.02 0.00 0.00 63.50 61.38 3hhn n PRO 8 Cb 0.00 -1.17 -0.07 0.00 -0.02 0.00 0.00 33.50 32.25 3hhn n PRO 8 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3hhn s ASN 9 N -1.15 -0.73 0.43 2.55 2.47 -1.26 -5.03 114.94 112.22 3hhn s ASN 9 Ca 0.48 1.34 0.24 0.00 0.42 0.00 0.00 52.86 55.34 3hhn s ASN 9 Cb -0.27 1.35 1.25 0.00 -1.45 0.00 0.00 41.25 42.13 3hhn s ASN 9 CO 0.75 -0.23 1.73 0.45 -3.72 0.00 0.00 177.10 176.09 3hhn h HIS 10 N 5.31 0.53 -3.29 0.43 3.86 -1.86 -3.39 115.15 116.74 3hhn h HIS 10 Ca -0.29 0.02 -0.62 0.00 -1.16 0.00 0.00 60.37 58.32 3hhn h HIS 10 Cb 1.18 -0.15 -0.18 0.00 1.06 0.00 0.00 27.41 29.32 3hhn h HIS 10 CO 0.30 -0.02 -0.59 0.99 0.86 0.00 0.00 177.93 179.47 3hhn s THR 11 N -5.36 4.53 -0.06 2.45 2.01 -1.26 -1.93 115.64 116.01 3hhn s THR 11 Ca -0.08 -0.13 -0.03 0.00 0.31 0.00 0.00 61.69 61.76 3hhn s THR 11 Cb 0.26 -3.03 -0.04 0.00 0.01 0.00 0.00 72.50 69.71 3hhn s THR 11 CO 0.81 0.47 0.09 0.27 -0.69 0.00 0.00 174.62 175.57 3hhn s ILE 12 N 0.37 4.94 -0.23 1.82 -4.36 -0.42 -1.59 121.20 121.73 3hhn s ILE 12 Ca 0.01 -0.15 -0.10 0.00 -0.26 0.00 0.00 60.65 60.15 3hhn s ILE 12 Cb -0.13 -3.19 -0.05 0.00 1.25 0.00 0.00 42.46 40.35 3hhn s ILE 12 CO 0.01 0.49 0.13 -0.47 0.24 0.00 0.00 174.94 175.34 3hhn s TYR 13 N -1.08 3.28 -0.04 1.37 6.14 0.15 -2.05 117.35 125.12 3hhn s TYR 13 Ca 0.19 0.14 0.07 0.00 0.64 0.00 0.00 57.07 58.10 3hhn s TYR 13 Cb -0.12 -2.22 -0.01 0.00 0.42 0.00 0.00 41.96 40.03 3hhn s TYR 13 CO 0.09 0.06 -0.25 0.42 0.64 0.00 0.00 175.55 176.51 3hhn s ILE 14 N 0.93 1.99 0.00 3.14 1.01 -0.12 -0.54 121.20 127.60 3hhn s ILE 14 Ca 0.06 -1.05 0.00 0.00 0.00 0.00 0.00 60.65 59.67 3hhn s ILE 14 Cb -0.13 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.67 3hhn s ILE 14 CO 0.03 0.56 0.00 -0.46 0.00 0.00 0.00 174.94 175.07 3hhn n ASN 15 N 2.77 0.04 -2.17 3.58 6.94 -1.18 -0.53 115.26 124.70 3hhn n ASN 15 Ca -0.17 -0.88 -0.18 0.00 -0.02 0.00 0.00 54.58 53.33 3hhn n ASN 15 Cb 0.52 0.00 -0.00 0.00 -2.36 0.00 0.00 39.78 37.93 3hhn n ASN 15 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3hhn n ASN 16 N -2.60 -5.36 -4.83 0.53 4.05 -0.94 -3.14 115.26 102.98 3hhn n ASN 16 Ca 0.00 -0.05 -0.35 0.00 0.45 0.00 0.00 54.58 54.63 3hhn n ASN 16 Cb 0.00 -4.39 -0.06 0.00 1.23 0.00 0.00 39.78 36.56 3hhn n ASN 16 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 3hhn s LEU 17 N -5.36 4.26 -0.47 1.20 1.43 -0.85 -4.65 118.68 114.23 3hhn s LEU 17 Ca 0.04 1.34 -0.27 0.00 -1.03 0.00 0.00 54.13 54.21 3hhn s LEU 17 Cb -0.02 -3.70 -0.08 0.00 0.03 0.00 0.00 46.19 42.43 3hhn s LEU 17 CO 0.05 -0.03 2.40 -3.20 0.23 0.00 0.00 176.35 175.80 3hhn n ASN 18 N 0.40 2.34 0.18 2.29 2.85 -1.26 -4.44 115.26 117.62 3hhn n ASN 18 Ca -0.01 -0.34 0.13 0.00 -0.11 0.00 0.00 54.58 54.26 3hhn n ASN 18 Cb 0.52 -1.53 0.64 0.00 1.24 0.00 0.00 39.78 40.64 3hhn n ASN 18 CO 0.00 0.00 0.00 -0.33 -2.11 0.00 0.00 177.26 174.82 3hhn h GLU 19 N 18.32 0.00 0.00 1.20 5.08 -1.94 -2.19 114.58 135.04 3hhn h GLU 19 Ca -0.26 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3hhn h GLU 19 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3hhn h GLU 19 CO 1.14 0.00 0.00 1.17 -1.00 0.00 0.00 179.01 180.32 3hhn n LYS 20 N -2.43 0.34 -2.91 2.33 3.00 -1.26 -4.82 118.16 112.42 3hhn n LYS 20 Ca -0.00 0.03 -0.40 0.00 -0.00 0.00 0.00 58.31 57.93 3hhn n LYS 20 Cb 0.14 -1.50 -0.05 0.00 0.00 0.00 0.00 35.03 33.62 3hhn n LYS 20 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3hhn s ILE 21 N -2.62 4.73 0.60 3.15 -1.09 -0.83 -5.03 121.20 120.11 3hhn s ILE 21 Ca 0.24 1.75 -0.20 0.00 -2.23 0.00 0.00 60.65 60.22 3hhn s ILE 21 Cb 0.18 -4.17 -0.03 0.00 -1.58 0.00 0.00 42.46 36.86 3hhn s ILE 21 CO 0.43 0.32 1.30 -0.54 -1.23 0.00 0.00 174.94 175.21 3hhn s LYS 22 N 0.17 2.86 0.19 2.79 -0.14 -1.26 -4.82 119.74 119.53 3hhn s LYS 22 Ca 0.42 2.07 -0.12 0.00 -1.36 0.00 0.00 55.97 56.98 3hhn s LYS 22 Cb -0.21 -2.01 0.19 0.00 -1.68 0.00 0.00 37.83 34.12 3hhn s LYS 22 CO 0.24 -1.36 1.77 -0.22 -0.76 0.00 0.00 175.35 175.03 3hhn h LYS 23 N 0.96 0.46 0.53 1.68 3.64 -1.96 -1.58 116.57 120.29 3hhn h LYS 23 Ca -0.51 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 58.83 3hhn h LYS 23 Cb 1.32 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 33.02 3hhn h LYS 23 CO 0.55 0.30 -0.45 -0.44 -2.27 0.00 0.00 179.45 177.14 3hhn h ASP 24 N 0.47 -1.19 -0.09 4.20 3.45 -1.98 -1.81 116.42 119.47 3hhn h ASP 24 Ca 0.26 0.09 0.04 0.00 0.43 0.00 0.00 57.03 57.84 3hhn h ASP 24 Cb 0.23 0.38 -0.04 0.00 -0.56 0.00 0.00 39.33 39.34 3hhn h ASP 24 CO -0.21 -0.63 -0.16 -0.33 -1.57 0.00 0.00 179.24 176.33 3hhn h GLU 25 N -0.97 -0.21 -0.85 3.56 4.39 -1.90 -1.79 114.58 116.81 3hhn h GLU 25 Ca -0.06 0.01 0.17 0.00 0.34 0.00 0.00 59.36 59.82 3hhn h GLU 25 Cb 0.82 0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 29.42 3hhn h GLU 25 CO -0.02 -0.14 0.41 1.25 -1.16 0.00 0.00 179.01 179.35 3hhn h LEU 26 N -0.22 0.44 0.53 1.33 5.85 -1.23 0.25 115.31 122.26 3hhn h LEU 26 Ca 0.08 0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3hhn h LEU 26 Cb 0.34 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.40 3hhn h LEU 26 CO -0.22 0.14 -0.46 0.11 -0.34 0.00 0.00 178.44 177.67 3hhn h LYS 27 N 0.54 -0.94 -0.32 1.25 1.79 -0.45 -1.24 116.57 117.20 3hhn h LYS 27 Ca 0.49 0.06 -0.12 0.00 -2.18 0.00 0.00 60.65 58.90 3hhn h LYS 27 Cb 0.78 0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 31.63 3hhn h LYS 27 CO -0.42 -0.62 -0.30 1.57 -1.08 0.00 0.00 179.45 178.60 3hhn h LYS 28 N -0.97 0.69 -0.55 3.15 2.10 -1.09 -2.24 116.57 117.66 3hhn h LYS 28 Ca -0.06 -0.30 -0.03 0.00 -2.00 0.00 0.00 60.65 58.26 3hhn h LYS 28 Cb 0.83 -0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.12 3hhn h LYS 28 CO -0.02 0.90 0.25 0.77 -2.00 0.00 0.00 179.45 179.35 3hhn h SER 29 N 0.59 0.74 -0.19 7.07 0.02 -0.93 -0.43 113.55 120.41 3hhn h SER 29 Ca 0.07 -0.15 -0.01 0.00 -0.84 0.00 0.00 61.79 60.86 3hhn h SER 29 Cb 0.80 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 3hhn h SER 29 CO 0.07 0.68 0.07 -0.07 -1.14 0.00 0.00 176.83 176.44 3hhn h LEU 30 N 0.75 0.27 -1.66 5.07 3.38 -1.09 -2.61 115.31 119.42 3hhn h LEU 30 Ca 0.19 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hhn h LEU 30 Cb 0.15 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3hhn h LEU 30 CO -0.02 0.37 0.17 -0.74 0.09 0.00 0.00 178.44 178.31 3hhn h HIS 31 N 0.15 0.39 -0.54 1.13 2.76 -1.24 -2.07 115.15 115.73 3hhn h HIS 31 Ca 0.06 0.00 -0.08 0.00 -2.20 0.00 0.00 60.37 58.15 3hhn h HIS 31 Cb 0.19 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.00 3hhn h HIS 31 CO -0.01 0.27 0.01 0.00 -1.30 0.00 0.00 177.93 176.89 3hhn h ALA 32 N 1.78 0.99 0.00 5.26 0.00 -0.71 -1.55 119.26 125.04 3hhn h ALA 32 Ca 0.11 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3hhn h ALA 32 Cb -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3hhn h ALA 32 CO -0.02 0.62 -0.96 0.44 0.00 0.00 0.00 179.25 179.33 3hhn n ILE 33 N -4.20 0.29 0.22 0.00 -5.35 -0.99 -4.17 119.36 105.17 3hhn n ILE 33 Ca 0.03 -0.32 0.09 0.00 -0.27 0.00 0.00 62.75 62.28 3hhn n ILE 33 Cb 0.32 0.01 -0.13 0.00 -1.74 0.00 0.00 39.64 38.09 3hhn n ILE 33 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3hhn n PHE 34 N -2.14 0.00 -0.09 4.28 3.72 -0.81 -4.44 117.46 117.97 3hhn n PHE 34 Ca 0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.55 3hhn n PHE 34 Cb 0.46 -0.32 0.51 0.00 -0.94 0.00 0.00 39.48 39.20 3hhn n PHE 34 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 3hhn h SER 35 N 0.00 0.35 0.07 4.37 0.02 -1.44 -0.99 113.55 115.93 3hhn h SER 35 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3hhn h SER 35 Cb 0.74 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.22 3hhn h SER 35 CO 0.00 0.20 0.00 -2.11 -1.14 0.00 0.00 176.83 173.78 3hhn n ARG 36 N -4.47 0.22 0.00 3.45 1.85 -1.26 -1.63 116.66 114.83 3hhn n ARG 36 Ca 0.10 0.09 0.08 0.00 -1.00 0.00 0.00 57.85 57.13 3hhn n ARG 36 Cb 0.41 -1.50 -0.06 0.00 -1.05 0.00 0.00 32.46 30.26 3hhn n ARG 36 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 3hhn n PHE 37 N -1.13 0.00 0.00 2.89 3.72 -0.38 -5.09 117.46 117.48 3hhn n PHE 37 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.46 3hhn n PHE 37 Cb 0.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.59 3hhn n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hhn n GLY 38 N 1.35 0.98 3.77 1.37 0.00 -0.64 -4.55 105.19 107.47 3hhn n GLY 38 Ca 0.05 -1.91 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 3hhn n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hhn s GLN 39 N -1.96 3.89 -0.26 1.61 -1.52 -1.26 -4.66 119.66 115.50 3hhn s GLN 39 Ca 0.00 1.91 0.00 0.00 -1.95 0.00 0.00 55.36 55.32 3hhn s GLN 39 Cb 0.00 -2.59 0.08 0.00 -0.22 0.00 0.00 33.01 30.28 3hhn s GLN 39 CO 0.00 -0.48 0.01 0.42 -0.25 0.00 0.00 175.29 174.99 3hhn s ILE 40 N -1.41 1.33 0.05 1.08 1.01 -1.26 -2.50 121.20 119.50 3hhn s ILE 40 Ca 0.60 -1.33 -0.25 0.00 0.00 0.00 0.00 60.65 59.67 3hhn s ILE 40 Cb -0.32 -1.78 -0.17 0.00 0.01 0.00 0.00 42.46 40.20 3hhn s ILE 40 CO 0.40 -0.33 1.55 -0.07 0.00 0.00 0.00 174.94 176.50 3hhn h LEU 41 N 7.98 -0.11 -7.76 2.97 3.38 -1.35 -3.48 115.31 116.94 3hhn h LEU 41 Ca -0.15 -0.14 0.13 0.00 0.09 0.00 0.00 57.88 57.81 3hhn h LEU 41 Cb 1.06 0.03 -0.07 0.00 0.09 0.00 0.00 40.66 41.76 3hhn h LEU 41 CO 0.43 0.08 0.38 -0.62 0.09 0.00 0.00 178.44 178.80 3hhn s ASP 42 N -5.23 -0.22 -0.24 -0.43 2.15 -1.23 -5.05 116.67 106.41 3hhn s ASP 42 Ca -0.14 -0.47 -0.03 0.00 0.43 0.00 0.00 52.55 52.34 3hhn s ASP 42 Cb 0.04 0.58 0.11 0.00 -0.30 0.00 0.00 42.92 43.35 3hhn s ASP 42 CO 0.65 -1.07 0.23 -0.51 -0.17 0.00 0.00 175.17 174.30 3hhn s ILE 43 N -3.54 -0.31 0.02 4.11 2.07 -1.26 -0.50 121.20 121.79 3hhn s ILE 43 Ca 0.11 -0.33 -0.27 0.00 -1.41 0.00 0.00 60.65 58.75 3hhn s ILE 43 Cb -0.03 -0.83 -0.05 0.00 0.13 0.00 0.00 42.46 41.69 3hhn s ILE 43 CO 0.03 -0.37 0.83 -0.76 -1.91 0.00 0.00 174.94 172.76 3hhn s LEU 44 N 2.30 4.41 -0.10 8.50 2.01 0.12 -4.88 118.68 131.05 3hhn s LEU 44 Ca 0.08 1.50 -0.04 0.00 0.01 0.00 0.00 54.13 55.68 3hhn s LEU 44 Cb -0.15 -3.33 0.05 0.00 0.01 0.00 0.00 46.19 42.77 3hhn s LEU 44 CO -0.23 -0.08 0.19 -0.69 1.01 0.00 0.00 176.35 176.55 3hhn s VAL 45 N 0.35 -0.29 0.12 -1.59 1.01 -1.26 -0.78 120.40 117.96 3hhn s VAL 45 Ca 0.43 0.31 0.10 0.00 0.00 0.00 0.00 61.98 62.82 3hhn s VAL 45 Cb -0.20 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.80 3hhn s VAL 45 CO 0.24 0.13 -0.25 -0.55 0.00 0.00 0.00 175.10 174.68 3hhn s SER 46 N 2.22 3.02 -0.31 3.32 0.15 -1.26 -5.03 113.70 115.80 3hhn s SER 46 Ca 0.01 -0.72 0.08 0.00 0.70 0.00 0.00 55.95 56.02 3hhn s SER 46 Cb -0.12 -0.19 0.53 0.00 -1.71 0.00 0.00 66.02 64.53 3hhn s SER 46 CO -0.07 0.13 1.52 0.54 1.20 0.00 0.00 173.24 176.57 3hhn n ARG 47 N 0.98 1.91 -0.25 5.44 1.74 -1.26 -3.10 116.66 122.12 3hhn n ARG 47 Ca -0.19 -3.17 -0.29 0.00 -0.77 0.00 0.00 57.85 53.43 3hhn n ARG 47 Cb 0.53 -1.86 0.28 0.00 -1.02 0.00 0.00 32.46 30.39 3hhn n ARG 47 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3hhn n SER 48 N -1.11 -4.12 0.24 0.55 7.64 -1.26 -4.65 113.62 110.90 3hhn n SER 48 Ca 0.36 -0.84 0.12 0.00 1.01 0.00 0.00 58.87 59.53 3hhn n SER 48 Cb 1.11 -0.99 0.47 0.00 -1.01 0.00 0.00 64.21 63.80 3hhn n SER 48 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3hhn h LEU 49 N -3.60 0.00 0.00 -3.43 5.85 -1.98 -3.05 115.31 109.10 3hhn h LEU 49 Ca -0.38 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 3hhn h LEU 49 Cb 1.28 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.31 3hhn h LEU 49 CO 0.23 0.13 -1.70 1.17 -0.34 0.00 0.00 178.44 177.93 3hhn n LYS 50 N -3.23 0.57 0.00 1.25 4.81 -1.26 -4.60 118.16 115.70 3hhn n LYS 50 Ca 0.01 -0.12 0.04 0.00 -0.87 0.00 0.00 58.31 57.37 3hhn n LYS 50 Cb 0.42 -1.35 0.02 0.00 0.02 0.00 0.00 35.03 34.14 3hhn n LYS 50 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 3hhn n MET 51 N -2.06 0.93 -1.22 1.64 2.81 -1.24 -5.02 117.12 112.95 3hhn n MET 51 Ca -0.04 -0.81 -0.30 0.00 -1.81 0.00 0.00 57.70 54.73 3hhn n MET 51 Cb 0.44 -1.10 0.11 0.00 -0.71 0.00 0.00 33.22 31.96 3hhn n MET 51 CO 0.00 0.00 0.00 -0.98 1.51 0.00 0.00 175.97 176.50 3hhn s ARG 52 N -0.86 1.77 -0.75 0.03 1.70 -1.15 -3.08 118.95 116.61 3hhn s ARG 52 Ca 0.08 1.01 0.00 0.00 -0.47 0.00 0.00 55.73 56.35 3hhn s ARG 52 Cb 0.07 -1.85 0.00 0.00 -0.57 0.00 0.00 34.95 32.59 3hhn s ARG 52 CO 0.14 -1.94 0.00 0.41 -1.08 0.00 0.00 175.30 172.83 3hhn n GLY 53 N -1.15 0.74 3.22 3.88 0.00 -1.26 -4.95 105.19 105.67 3hhn n GLY 53 Ca 0.08 -0.07 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 3hhn n GLY 53 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3hhn s GLN 54 N -2.41 0.96 -0.19 1.61 -0.21 -1.18 -2.00 119.66 116.24 3hhn s GLN 54 Ca 0.00 -1.40 -0.26 0.00 0.02 0.00 0.00 55.36 53.72 3hhn s GLN 54 Cb 0.00 -0.44 0.07 0.00 1.00 0.00 0.00 33.01 33.64 3hhn s GLN 54 CO 0.00 0.03 0.68 0.00 -2.12 0.00 0.00 175.29 173.89 3hhn s ALA 55 N -3.46 -1.72 -0.21 6.09 0.00 0.31 -4.48 121.76 118.28 3hhn s ALA 55 Ca 0.15 1.72 -0.03 0.00 0.00 0.00 0.00 51.96 53.80 3hhn s ALA 55 Cb 0.04 -0.75 -0.00 0.00 0.00 0.00 0.00 23.12 22.41 3hhn s ALA 55 CO -0.02 -0.34 -0.08 -0.06 0.00 0.00 0.00 175.76 175.26 3hhn s PHE 56 N -0.17 2.91 -0.19 0.00 0.40 0.04 -0.95 117.98 120.02 3hhn s PHE 56 Ca -0.04 -1.10 -0.05 0.00 -0.60 0.00 0.00 56.93 55.14 3hhn s PHE 56 Cb -0.03 -2.06 -0.03 0.00 0.51 0.00 0.00 43.02 41.41 3hhn s PHE 56 CO 0.04 -0.60 -0.00 0.08 0.70 0.00 0.00 175.22 175.44 3hhn s VAL 57 N 1.42 4.02 -0.28 -0.44 1.01 -0.87 0.13 120.40 125.39 3hhn s VAL 57 Ca 0.05 -0.29 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 3hhn s VAL 57 Cb -0.14 -2.81 0.00 0.00 0.00 0.00 0.00 36.38 33.43 3hhn s VAL 57 CO -0.05 0.44 0.06 -0.63 0.00 0.00 0.00 175.10 174.91 3hhn s ILE 58 N 0.83 3.88 0.24 2.22 1.01 0.34 -1.30 121.20 128.42 3hhn s ILE 58 Ca 0.01 -0.62 0.01 0.00 0.00 0.00 0.00 60.65 60.04 3hhn s ILE 58 Cb -0.14 -2.95 -0.04 0.00 0.01 0.00 0.00 42.46 39.34 3hhn s ILE 58 CO 0.02 0.16 0.41 -0.36 0.00 0.00 0.00 174.94 175.17 3hhn s PHE 59 N 1.50 3.48 -0.24 3.97 0.08 -0.81 -0.98 117.98 124.98 3hhn s PHE 59 Ca 0.03 0.24 0.18 0.00 0.12 0.00 0.00 56.93 57.50 3hhn s PHE 59 Cb -0.17 -1.78 0.13 0.00 -0.57 0.00 0.00 43.02 40.63 3hhn s PHE 59 CO 0.02 0.35 1.44 -0.22 -0.10 0.00 0.00 175.22 176.71 3hhn h LYS 60 N 1.54 0.00 -6.46 0.44 3.64 -1.80 -3.44 116.57 110.49 3hhn h LYS 60 Ca -0.49 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.20 3hhn h LYS 60 Cb 1.21 0.00 -0.21 0.00 -0.41 0.00 0.00 32.23 32.82 3hhn h LYS 60 CO 0.65 0.33 -0.77 -1.21 -2.27 0.00 0.00 179.45 176.18 3hhn s GLU 61 N -3.04 2.28 0.18 1.90 0.41 -1.26 -5.03 118.70 114.14 3hhn s GLU 61 Ca 0.04 -0.87 -0.06 0.00 -0.41 0.00 0.00 54.97 53.68 3hhn s GLU 61 Cb 0.07 -2.31 0.09 0.00 -1.78 0.00 0.00 34.13 30.20 3hhn s GLU 61 CO 0.73 0.57 1.54 0.28 -0.49 0.00 0.00 175.26 177.89 3hhn h VAL 62 N 3.93 1.29 -0.56 2.63 2.07 -1.91 -3.02 116.25 120.67 3hhn h VAL 62 Ca -0.48 -1.56 -0.06 0.00 0.82 0.00 0.00 66.70 65.42 3hhn h VAL 62 Cb 1.16 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.36 3hhn h VAL 62 CO 0.50 0.51 0.10 0.77 0.02 0.00 0.00 177.57 179.46 3hhn h SER 63 N 0.62 0.85 -0.46 0.57 4.64 -1.95 -2.52 113.55 115.29 3hhn h SER 63 Ca 0.05 -0.18 0.07 0.00 -0.47 0.00 0.00 61.79 61.27 3hhn h SER 63 Cb 0.94 -0.22 -0.06 0.00 -0.31 0.00 0.00 62.40 62.74 3hhn h SER 63 CO 0.09 0.85 0.11 0.28 -0.87 0.00 0.00 176.83 177.28 3hhn h SER 64 N 0.85 0.04 -0.62 4.97 0.02 -1.77 0.88 113.55 117.92 3hhn h SER 64 Ca 0.18 0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 3hhn h SER 64 Cb 0.37 0.10 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 3hhn h SER 64 CO 0.01 0.05 0.33 0.00 -1.14 0.00 0.00 176.83 176.08 3hhn h ALA 65 N 1.35 0.79 -0.01 3.77 0.00 -1.46 -0.75 119.26 122.95 3hhn h ALA 65 Ca 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hhn h ALA 65 Cb 0.28 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3hhn h ALA 65 CO -0.29 0.31 0.01 1.15 0.00 0.00 0.00 179.25 180.44 3hhn h THR 66 N 0.84 1.03 -0.17 0.00 2.02 -0.95 0.18 112.91 115.85 3hhn h THR 66 Ca 0.22 -0.08 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 3hhn h THR 66 Cb 0.05 1.06 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3hhn h THR 66 CO -0.03 0.02 0.08 -1.13 0.37 0.00 0.00 175.52 174.83 3hhn h ASN 67 N -0.01 0.21 0.12 4.18 -0.00 -0.63 -1.98 115.58 117.47 3hhn h ASN 67 Ca 0.00 -0.01 -0.26 0.00 -0.00 0.00 0.00 56.30 56.03 3hhn h ASN 67 Cb 0.03 -0.05 0.03 0.00 -0.00 0.00 0.00 38.32 38.32 3hhn h ASN 67 CO -0.00 0.19 -1.09 0.00 -0.00 0.00 0.00 177.43 176.53 3hhn h ALA 68 N 1.85 -0.03 -0.44 1.57 0.00 -0.66 -2.89 119.26 118.65 3hhn h ALA 68 Ca 0.06 -0.73 -0.00 0.00 0.00 0.00 0.00 54.91 54.24 3hhn h ALA 68 Cb 0.03 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3hhn h ALA 68 CO -0.01 0.57 0.27 1.25 0.00 0.00 0.00 179.25 181.33 3hhn h LEU 69 N 0.07 0.52 0.00 0.00 5.85 -0.33 -2.60 115.31 118.82 3hhn h LEU 69 Ca -0.17 -0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 3hhn h LEU 69 Cb 1.80 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 42.70 3hhn h LEU 69 CO 0.21 0.40 -0.00 -0.09 -0.34 0.00 0.00 178.44 178.61 3hhn h ARG 70 N 0.60 -0.00 -0.00 1.25 2.43 -1.41 -3.02 114.38 114.23 3hhn h ARG 70 Ca 0.16 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3hhn h ARG 70 Cb -0.03 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 3hhn h ARG 70 CO -0.03 0.47 -0.07 -1.13 -1.51 0.00 0.00 179.97 177.70 3hhn n SER 71 N -4.70 0.31 -0.00 -3.80 3.41 -1.09 -3.58 113.62 104.17 3hhn n SER 71 Ca -0.05 -0.51 0.04 0.00 -0.26 0.00 0.00 58.87 58.09 3hhn n SER 71 Cb 0.23 -0.13 -0.05 0.00 -0.26 0.00 0.00 64.21 64.00 3hhn n SER 71 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3hhn n MET 72 N -1.03 2.27 -1.65 4.33 2.81 -0.98 -4.93 117.12 117.93 3hhn n MET 72 Ca 0.15 -0.04 -0.52 0.00 -1.81 0.00 0.00 57.70 55.49 3hhn n MET 72 Cb 0.25 -1.03 -0.06 0.00 -0.71 0.00 0.00 33.22 31.67 3hhn n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 3hhn n GLN 73 N -1.49 1.51 0.00 0.03 -0.06 -1.14 -0.75 117.38 115.48 3hhn n GLN 73 Ca -0.00 0.55 0.00 0.00 -2.00 0.00 0.00 57.00 55.55 3hhn n GLN 73 Cb 0.16 -2.26 0.00 0.00 -4.06 0.00 0.00 30.24 24.08 3hhn n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3hhn n GLY 74 N 3.43 2.16 3.53 1.69 0.00 -0.76 -4.96 105.19 110.29 3hhn n GLY 74 Ca 0.21 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.69 3hhn n GLY 74 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3hhn n PHE 75 N -2.00 0.89 -2.20 1.61 7.35 0.07 -3.73 117.46 119.45 3hhn n PHE 75 Ca 0.00 0.86 -0.32 0.00 -0.76 0.00 0.00 57.45 57.24 3hhn n PHE 75 Cb 0.00 -2.18 -0.05 0.00 0.35 0.00 0.00 39.48 37.61 3hhn n PHE 75 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3hhn s PRO 76 N -0.04 2.87 -0.32 -7.13 0.02 -1.26 -1.07 135.00 128.07 3hhn s PRO 76 Ca 0.83 -1.37 -0.20 0.00 0.02 0.00 0.00 61.00 60.29 3hhn s PRO 76 Cb -1.07 -5.32 -0.01 0.00 0.02 0.00 0.00 34.50 28.13 3hhn s PRO 76 CO 0.53 -3.55 0.61 0.12 -0.33 0.00 0.00 177.00 174.39 3hhn s PHE 77 N 9.31 3.20 -1.49 6.54 5.36 -0.06 -4.08 117.98 136.76 3hhn s PHE 77 Ca 0.65 0.51 -0.10 0.00 -0.96 0.00 0.00 56.93 57.03 3hhn s PHE 77 Cb 0.00 -3.00 0.06 0.00 -0.34 0.00 0.00 43.02 39.75 3hhn s PHE 77 CO 0.12 -0.50 0.84 0.66 -1.46 0.00 0.00 175.22 174.87 3hhn n TYR 78 N 5.88 -2.08 -2.62 10.12 4.02 -1.26 -1.82 117.16 129.40 3hhn n TYR 78 Ca -0.02 0.86 -0.13 0.00 -0.01 0.00 0.00 57.90 58.60 3hhn n TYR 78 Cb 0.49 -3.94 0.02 0.00 -0.02 0.00 0.00 39.34 35.88 3hhn n TYR 78 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3hhn n ASP 79 N -2.88 -4.27 -3.69 7.72 10.43 -1.26 -4.75 116.55 117.85 3hhn n ASP 79 Ca -0.07 -0.14 -0.10 0.00 2.57 0.00 0.00 54.79 57.04 3hhn n ASP 79 Cb 0.58 -3.21 -0.11 0.00 1.84 0.00 0.00 41.12 40.22 3hhn n ASP 79 CO 0.00 0.00 0.00 -0.54 -1.07 0.00 0.00 177.20 175.59 3hhn s LYS 80 N -5.11 0.39 0.07 -1.24 1.02 -0.75 -5.03 119.74 109.08 3hhn s LYS 80 Ca 0.15 0.83 -0.30 0.00 0.02 0.00 0.00 55.97 56.66 3hhn s LYS 80 Cb -0.06 0.02 -0.09 0.00 -0.52 0.00 0.00 37.83 37.17 3hhn s LYS 80 CO 0.18 -0.17 1.90 -2.14 -0.92 0.00 0.00 175.35 174.20 3hhn s PRO 81 N 1.57 4.14 0.56 -1.68 0.02 -1.26 -0.88 135.00 137.47 3hhn s PRO 81 Ca -0.08 2.59 -0.19 0.00 0.02 0.00 0.00 61.00 63.33 3hhn s PRO 81 Cb -0.09 -3.93 -0.05 0.00 0.02 0.00 0.00 34.50 30.45 3hhn s PRO 81 CO -0.13 -0.91 1.18 -1.64 -0.33 0.00 0.00 177.00 175.17 3hhn s MET 82 N 3.77 3.18 -0.50 5.54 -1.94 -0.23 -4.82 119.30 124.30 3hhn s MET 82 Ca 0.85 1.76 0.03 0.00 -1.71 0.00 0.00 55.69 56.62 3hhn s MET 82 Cb -0.44 -2.00 0.14 0.00 2.01 0.00 0.00 34.83 34.54 3hhn s MET 82 CO 0.39 -1.02 0.29 1.03 -0.01 0.00 0.00 175.02 175.70 3hhn s ARG 83 N -3.25 1.61 -0.02 2.03 1.81 -1.19 -1.82 118.95 118.12 3hhn s ARG 83 Ca 0.74 -2.38 -0.20 0.00 -1.72 0.00 0.00 55.73 52.18 3hhn s ARG 83 Cb -0.28 -2.67 -0.05 0.00 -0.45 0.00 0.00 34.95 31.50 3hhn s ARG 83 CO 0.31 -1.19 0.56 0.42 -0.68 0.00 0.00 175.30 174.72 3hhn s ILE 84 N -0.12 4.97 0.24 1.52 1.01 -1.26 -3.13 121.20 124.43 3hhn s ILE 84 Ca 0.20 1.16 0.01 0.00 0.00 0.00 0.00 60.65 62.01 3hhn s ILE 84 Cb -0.19 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.35 3hhn s ILE 84 CO -0.04 0.42 0.13 -1.10 0.00 0.00 0.00 174.94 174.35 3hhn s GLN 85 N -0.13 1.36 0.32 2.79 -0.21 0.30 -4.98 119.66 119.11 3hhn s GLN 85 Ca 0.29 -1.74 -0.25 0.00 0.02 0.00 0.00 55.36 53.69 3hhn s GLN 85 Cb -0.17 0.04 -0.10 0.00 1.00 0.00 0.00 33.01 33.78 3hhn s GLN 85 CO 0.16 -0.38 0.93 0.71 -2.12 0.00 0.00 175.29 174.58 3hhn s TYR 86 N -3.90 3.67 0.29 0.91 2.02 -1.26 0.35 117.35 119.42 3hhn s TYR 86 Ca 0.38 1.74 -0.29 0.00 -0.37 0.00 0.00 57.07 58.53 3hhn s TYR 86 Cb 0.07 -2.89 -0.10 0.00 -0.40 0.00 0.00 41.96 38.63 3hhn s TYR 86 CO 0.14 0.20 1.36 0.00 -1.57 0.00 0.00 175.55 175.68 3hhn s ALA 87 N -1.64 3.55 0.06 3.71 0.00 -0.62 -4.56 121.76 122.24 3hhn s ALA 87 Ca 0.50 1.28 0.33 0.00 0.00 0.00 0.00 51.96 54.07 3hhn s ALA 87 Cb -0.18 -3.51 1.35 0.00 0.00 0.00 0.00 23.12 20.79 3hhn s ALA 87 CO 0.23 -0.68 1.97 0.87 0.00 0.00 0.00 175.76 178.15 3hhn h LYS 88 N 4.15 0.00 -3.84 0.00 6.56 -1.95 -3.44 116.57 118.05 3hhn h LYS 88 Ca -0.47 0.00 -0.14 0.00 -1.06 0.00 0.00 60.65 58.98 3hhn h LYS 88 Cb 1.22 0.00 -0.19 0.00 -0.57 0.00 0.00 32.23 32.70 3hhn h LYS 88 CO 0.71 0.00 -0.57 0.95 -2.06 0.00 0.00 179.45 178.47 3hhn s THR 89 N -3.64 0.13 0.59 -0.16 -4.23 -1.26 -5.11 115.64 101.95 3hhn s THR 89 Ca 0.01 -1.05 -0.19 0.00 -1.18 0.00 0.00 61.69 59.28 3hhn s THR 89 Cb 0.09 -0.73 -0.04 0.00 1.34 0.00 0.00 72.50 73.16 3hhn s THR 89 CO 0.53 -0.58 1.21 -1.81 -0.54 0.00 0.00 174.62 173.42 3hhn s ASP 90 N -1.92 5.22 0.55 3.99 1.01 -1.26 -4.97 116.67 119.29 3hhn s ASP 90 Ca -0.08 2.39 -0.14 0.00 0.71 0.00 0.00 52.55 55.43 3hhn s ASP 90 Cb -0.03 -2.60 -0.06 0.00 1.01 0.00 0.00 42.92 41.23 3hhn s ASP 90 CO -0.03 -1.57 0.99 -0.44 0.21 0.00 0.00 175.17 174.33 3hhn s SER 91 N -1.58 6.46 0.24 0.27 0.01 -1.26 -4.85 113.70 113.00 3hhn s SER 91 Ca 0.77 1.48 -0.06 0.00 1.31 0.00 0.00 55.95 59.45 3hhn s SER 91 Cb -0.30 -2.48 0.29 0.00 0.21 0.00 0.00 66.02 63.74 3hhn s SER 91 CO 0.33 -0.69 1.89 0.44 0.41 0.00 0.00 173.24 175.62 3hhn h ASP 92 N 0.45 1.00 -0.09 2.44 3.32 -1.98 0.60 116.42 122.15 3hhn h ASP 92 Ca -0.46 -0.01 0.03 0.00 0.02 0.00 0.00 57.03 56.61 3hhn h ASP 92 Cb 1.19 -0.23 -0.00 0.00 0.22 0.00 0.00 39.33 40.51 3hhn h ASP 92 CO 0.62 0.68 0.07 0.40 -1.72 0.00 0.00 179.24 179.29 3hhn h ILE 93 N 1.16 0.95 0.08 0.35 1.08 -1.93 -1.18 117.51 118.02 3hhn h ILE 93 Ca 0.37 0.00 -0.37 0.00 -0.39 0.00 0.00 64.86 64.47 3hhn h ILE 93 Cb 0.01 0.95 -0.04 0.00 -3.07 0.00 0.00 36.82 34.68 3hhn h ILE 93 CO -0.12 0.00 -2.15 -0.38 -0.69 0.00 0.00 178.15 174.81 3hhn n ILE 94 N -4.50 1.68 -0.30 -0.67 5.41 -0.65 -3.91 119.36 116.43 3hhn n ILE 94 Ca -0.01 -0.61 -0.02 0.00 1.00 0.00 0.00 62.75 63.11 3hhn n ILE 94 Cb 0.18 -1.64 0.10 0.00 -0.71 0.00 0.00 39.64 37.57 3hhn n ILE 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3hhn h ALA 95 N 0.02 1.08 -0.56 -1.39 0.00 -0.78 -1.63 119.26 115.99 3hhn h ALA 95 Ca -0.48 -0.03 -0.42 0.00 0.00 0.00 0.00 54.91 53.98 3hhn h ALA 95 Cb 1.97 -0.27 -0.17 0.00 0.00 0.00 0.00 17.79 19.32 3hhn h ALA 95 CO 0.02 0.33 0.47 0.36 0.00 0.00 0.00 179.25 180.43 3hhn n LYS 96 N -4.59 2.09 0.00 0.00 0.00 -0.46 -3.78 118.16 111.42 3hhn n LYS 96 Ca 0.10 -2.01 0.00 0.00 -0.00 0.00 0.00 58.31 56.40 3hhn n LYS 96 Cb 0.10 -1.85 0.00 0.00 -0.00 0.00 0.00 35.03 33.28 3hhn n LYS 96 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 3hhn n MET 97 N 0.33 0.00 0.00 -1.58 0.00 -0.68 -4.95 117.12 110.25 3hhn n MET 97 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.09 3hhn n MET 97 Cb 0.57 -0.37 0.00 0.00 0.00 0.00 0.00 33.22 33.42 3hhn n MET 97 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60