#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cdv s PRO 2 N 0.00 0.43 -0.03 0.00 0.04 -1.26 -5.05 135.00 129.12 2cdv s PRO 2 Ca 0.00 0.59 0.07 0.00 0.04 0.00 0.00 61.00 61.70 2cdv s PRO 2 Cb 0.00 -1.73 -0.02 0.00 0.04 0.00 0.00 34.50 32.79 2cdv s PRO 2 CO 0.00 -2.75 -0.25 0.15 0.04 0.00 0.00 177.00 174.20 2cdv s LYS 3 N -4.92 2.17 0.15 4.56 1.02 -1.26 -5.10 119.74 116.36 2cdv s LYS 3 Ca 0.65 -0.88 -0.31 0.00 0.02 0.00 0.00 55.97 55.45 2cdv s LYS 3 Cb -0.19 -1.99 -0.09 0.00 -0.52 0.00 0.00 37.83 35.04 2cdv s LYS 3 CO 0.58 0.47 1.42 0.00 -0.92 0.00 0.00 175.35 176.90 2cdv s ALA 4 N -0.43 3.62 1.10 5.17 0.00 -1.26 -4.98 121.76 124.99 2cdv s ALA 4 Ca 0.05 1.19 -0.17 0.00 0.00 0.00 0.00 51.96 53.03 2cdv s ALA 4 Cb -0.11 -3.55 0.25 0.00 0.00 0.00 0.00 23.12 19.71 2cdv s ALA 4 CO 0.01 -0.65 1.16 -2.14 0.00 0.00 0.00 175.76 174.14 2cdv s PRO 5 N 0.75 -0.45 0.51 0.00 0.02 -1.26 -5.04 135.00 129.53 2cdv s PRO 5 Ca 0.64 -0.07 -0.19 0.00 0.02 0.00 0.00 61.00 61.40 2cdv s PRO 5 Cb -0.39 -1.69 -0.07 0.00 0.02 0.00 0.00 34.50 32.37 2cdv s PRO 5 CO 0.33 -3.20 1.05 0.00 -0.33 0.00 0.00 177.00 174.86 2cdv s ALA 6 N -3.23 2.82 1.15 -1.55 0.00 -1.26 -4.74 121.76 114.95 2cdv s ALA 6 Ca 0.70 0.61 -0.17 0.00 0.00 0.00 0.00 51.96 53.10 2cdv s ALA 6 Cb -0.10 -3.27 0.17 0.00 0.00 0.00 0.00 23.12 19.93 2cdv s ALA 6 CO 0.55 -0.46 0.34 -0.25 0.00 0.00 0.00 175.76 175.95 2cdv n ASP 7 N -1.18 -2.22 -0.10 0.00 8.00 -1.26 -4.11 116.55 115.68 2cdv n ASP 7 Ca 0.10 -0.16 -0.01 0.00 0.71 0.00 0.00 54.79 55.42 2cdv n ASP 7 Cb 0.52 -1.05 -0.00 0.00 -0.02 0.00 0.00 41.12 40.57 2cdv n ASP 7 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2cdv n GLY 8 N 1.71 0.46 3.75 0.44 0.00 -1.24 -4.99 105.19 105.32 2cdv n GLY 8 Ca 0.01 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 2cdv n GLY 8 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cdv s LEU 9 N -0.29 4.50 -0.20 0.99 0.20 -1.11 -4.86 118.68 117.92 2cdv s LEU 9 Ca 0.00 2.31 -0.06 0.00 0.69 0.00 0.00 54.13 57.07 2cdv s LEU 9 Cb 0.00 -3.62 -0.03 0.00 -0.43 0.00 0.00 46.19 42.11 2cdv s LEU 9 CO 0.00 -0.27 0.02 -0.54 -0.29 0.00 0.00 176.35 175.28 2cdv s LYS 10 N -1.08 3.72 -0.47 1.98 1.02 -1.26 -0.05 119.74 123.61 2cdv s LYS 10 Ca 0.48 -0.47 -0.16 0.00 0.02 0.00 0.00 55.97 55.84 2cdv s LYS 10 Cb -0.33 -3.13 0.06 0.00 -0.52 0.00 0.00 37.83 33.91 2cdv s LYS 10 CO 0.41 0.08 0.43 -1.64 -0.92 0.00 0.00 175.35 173.71 2cdv s MET 11 N 0.85 3.01 -0.12 1.68 -1.94 0.13 -4.93 119.30 117.98 2cdv s MET 11 Ca 0.02 -1.20 0.19 0.00 -1.71 0.00 0.00 55.69 52.99 2cdv s MET 11 Cb -0.14 -4.10 0.44 0.00 2.01 0.00 0.00 34.83 33.03 2cdv s MET 11 CO 0.02 -1.03 1.18 -0.40 -0.01 0.00 0.00 175.02 174.79 2cdv n ASP 12 N 5.40 1.57 0.24 3.03 5.68 -1.26 -1.12 116.55 130.08 2cdv n ASP 12 Ca -0.11 -2.76 0.16 0.00 -0.50 0.00 0.00 54.79 51.58 2cdv n ASP 12 Cb 0.44 -0.40 0.64 0.00 -1.14 0.00 0.00 41.12 40.67 2cdv n ASP 12 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 2cdv h LYS 13 N 1.25 0.00 -5.24 0.11 1.79 -1.96 -3.46 116.57 109.06 2cdv h LYS 13 Ca -0.10 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.80 2cdv h LYS 13 Cb 1.51 0.00 -0.13 0.00 -1.58 0.00 0.00 32.23 32.03 2cdv h LYS 13 CO 0.12 0.00 -0.56 0.95 -1.08 0.00 0.00 179.45 178.88 2cdv s THR 14 N -3.58 1.15 -1.83 -0.16 -4.23 -1.26 -5.02 115.64 100.71 2cdv s THR 14 Ca 0.02 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 58.82 2cdv s THR 14 Cb 0.09 -2.57 0.74 0.00 1.34 0.00 0.00 72.50 72.10 2cdv s THR 14 CO 0.50 0.00 2.06 0.29 -0.54 0.00 0.00 174.62 176.94 2cdv n LYS 15 N -0.92 0.77 -3.29 3.99 5.02 -1.26 -4.02 118.16 118.45 2cdv n LYS 15 Ca -0.07 0.01 -0.26 0.00 -2.02 0.00 0.00 58.31 55.96 2cdv n LYS 15 Cb 0.66 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 34.10 2cdv n LYS 15 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2cdv n GLN 16 N -1.08 2.40 -2.10 1.97 1.13 -1.26 -5.09 117.38 113.34 2cdv n GLN 16 Ca 0.20 -4.49 -0.35 0.00 -1.94 0.00 0.00 57.00 50.41 2cdv n GLN 16 Cb 0.14 -2.11 0.02 0.00 0.11 0.00 0.00 30.24 28.40 2cdv n GLN 16 CO 0.00 0.00 0.00 -1.25 -1.44 0.00 0.00 177.06 174.37 2cdv s PRO 17 N -2.53 3.13 -0.01 -1.09 0.04 -1.26 -5.01 135.00 128.27 2cdv s PRO 17 Ca 0.41 1.69 0.04 0.00 0.04 0.00 0.00 61.00 63.18 2cdv s PRO 17 Cb 0.19 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.75 2cdv s PRO 17 CO -0.05 -1.05 -0.12 0.08 0.04 0.00 0.00 177.00 175.90 2cdv s VAL 18 N -1.74 0.98 -0.18 -0.36 1.01 -0.28 -4.86 120.40 114.98 2cdv s VAL 18 Ca 0.74 -0.52 -0.15 0.00 0.00 0.00 0.00 61.98 62.06 2cdv s VAL 18 Cb -0.27 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.25 2cdv s VAL 18 CO 0.31 0.28 0.34 -0.69 0.00 0.00 0.00 175.10 175.34 2cdv s VAL 19 N -0.19 5.26 -0.16 2.92 1.01 -1.26 0.19 120.40 128.16 2cdv s VAL 19 Ca 0.03 0.62 -0.03 0.00 0.00 0.00 0.00 61.98 62.61 2cdv s VAL 19 Cb -0.06 -3.68 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 2cdv s VAL 19 CO -0.00 0.32 -0.07 0.12 0.00 0.00 0.00 175.10 175.47 2cdv s PHE 20 N 0.88 2.94 -0.16 5.22 5.36 0.93 -4.96 117.98 128.19 2cdv s PHE 20 Ca 0.18 -0.55 -0.02 0.00 -0.96 0.00 0.00 56.93 55.57 2cdv s PHE 20 Cb -0.14 -1.96 -0.02 0.00 -0.34 0.00 0.00 43.02 40.57 2cdv s PHE 20 CO 0.06 -0.21 -0.09 -0.80 -1.46 0.00 0.00 175.22 172.72 2cdv s ASN 21 N 0.63 4.26 0.18 6.13 0.01 -1.26 -2.74 114.94 122.15 2cdv s ASN 21 Ca -0.04 -0.30 -0.00 0.00 -0.71 0.00 0.00 52.86 51.80 2cdv s ASN 21 Cb -0.15 -1.68 0.06 0.00 0.41 0.00 0.00 41.25 39.89 2cdv s ASN 21 CO 0.03 0.12 1.43 0.45 -1.51 0.00 0.00 177.10 177.61 2cdv h HIS 22 N 7.09 0.48 0.00 2.20 3.86 -1.85 -3.26 115.15 123.67 2cdv h HIS 22 Ca -0.31 -0.22 -0.03 0.00 -1.16 0.00 0.00 60.37 58.64 2cdv h HIS 22 Cb 1.19 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 29.59 2cdv h HIS 22 CO 0.53 0.98 -0.15 0.66 0.86 0.00 0.00 177.93 180.81 2cdv h SER 23 N 0.24 0.00 0.30 2.45 4.64 -1.95 -0.93 113.55 118.30 2cdv h SER 23 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 2cdv h SER 23 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 2cdv h SER 23 CO 0.12 0.15 -0.20 0.35 -0.87 0.00 0.00 176.83 176.39 2cdv n THR 24 N -3.77 0.00 -1.33 2.95 -2.24 -1.23 -3.74 114.28 104.92 2cdv n THR 24 Ca -0.02 -0.10 0.05 0.00 -2.27 0.00 0.00 64.05 61.71 2cdv n THR 24 Cb 0.26 0.18 0.20 0.00 -2.10 0.00 0.00 70.33 68.87 2cdv n THR 24 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2cdv n HIS 25 N -0.80 0.41 0.27 4.78 8.25 -0.37 -4.77 115.22 123.00 2cdv n HIS 25 Ca 0.13 -1.30 0.11 0.00 -0.26 0.00 0.00 57.72 56.41 2cdv n HIS 25 Cb 0.32 -0.29 0.74 0.00 1.12 0.00 0.00 29.99 31.88 2cdv n HIS 25 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 2cdv h LYS 26 N 0.84 0.00 0.00 -0.41 1.57 -1.61 -1.64 116.57 115.32 2cdv h LYS 26 Ca 0.06 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2cdv h LYS 26 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 2cdv h LYS 26 CO 0.13 0.07 0.00 0.00 -0.57 0.00 0.00 179.45 179.08 2cdv n ALA 27 N -2.38 2.02 -2.73 3.86 0.00 -1.26 -4.69 120.51 115.32 2cdv n ALA 27 Ca -0.03 -0.08 -0.35 0.00 0.00 0.00 0.00 53.44 52.98 2cdv n ALA 27 Cb 0.16 -1.34 -0.09 0.00 0.00 0.00 0.00 19.45 18.18 2cdv n ALA 27 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2cdv s VAL 28 N -2.82 4.50 0.29 0.00 1.01 -0.62 -5.09 120.40 117.67 2cdv s VAL 28 Ca 0.14 -0.17 -0.29 0.00 0.00 0.00 0.00 61.98 61.66 2cdv s VAL 28 Cb 0.14 -2.92 -0.10 0.00 0.00 0.00 0.00 36.38 33.51 2cdv s VAL 28 CO 0.36 0.59 1.23 -0.75 0.00 0.00 0.00 175.10 176.53 2cdv s LYS 29 N -0.78 4.47 0.25 2.72 2.20 -1.26 -4.95 119.74 122.39 2cdv s LYS 29 Ca 0.12 2.03 -0.07 0.00 -0.36 0.00 0.00 55.97 57.70 2cdv s LYS 29 Cb -0.12 -3.14 0.46 0.00 -1.51 0.00 0.00 37.83 33.53 2cdv s LYS 29 CO 0.02 -0.05 1.62 0.00 -0.36 0.00 0.00 175.35 176.59 2cdv h GLY 31 N 0.08 0.00 1.94 0.00 0.00 -1.93 0.73 103.07 103.89 2cdv h GLY 31 Ca 0.43 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.68 2cdv h GLY 31 CO -0.72 0.00 -0.35 -0.55 0.00 0.00 0.00 176.54 174.92 2cdv h ASP 32 N 0.00 0.07 0.00 0.19 3.32 -1.35 -3.17 116.42 115.48 2cdv h ASP 32 Ca 0.00 -0.02 -0.29 0.00 0.02 0.00 0.00 57.03 56.74 2cdv h ASP 32 Cb 0.18 -0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.67 2cdv h ASP 32 CO 0.00 0.42 -1.95 0.00 -1.72 0.00 0.00 179.24 175.99 2cdv n HIS 34 N -3.80 4.03 -1.86 0.00 8.25 0.21 -4.97 115.22 117.08 2cdv n HIS 34 Ca -0.34 -2.97 -0.31 0.00 -0.26 0.00 0.00 57.72 53.84 2cdv n HIS 34 Cb 0.74 -2.38 0.02 0.00 1.12 0.00 0.00 29.99 29.49 2cdv n HIS 34 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2cdv s HIS 35 N 2.57 3.52 0.37 4.41 -0.00 -1.20 -3.24 115.29 121.73 2cdv s HIS 35 Ca 0.47 1.22 -0.28 0.00 -0.00 0.00 0.00 55.06 56.47 2cdv s HIS 35 Cb 0.07 -2.83 -0.10 0.00 -0.00 0.00 0.00 32.58 29.71 2cdv s HIS 35 CO -0.00 -0.86 1.40 -2.14 -0.00 0.00 0.00 174.74 173.14 2cdv s PRO 36 N -5.23 4.13 -0.03 -0.38 0.02 -1.26 -1.55 135.00 130.70 2cdv s PRO 36 Ca 0.56 2.40 -0.01 0.00 0.02 0.00 0.00 61.00 63.97 2cdv s PRO 36 Cb -0.11 -2.95 0.03 0.00 0.02 0.00 0.00 34.50 31.49 2cdv s PRO 36 CO 0.53 -0.45 0.03 0.08 -0.33 0.00 0.00 177.00 176.87 2cdv s VAL 37 N -1.15 -0.01 -1.39 3.83 1.01 0.36 -4.78 120.40 118.26 2cdv s VAL 37 Ca 0.53 0.26 -0.05 0.00 0.00 0.00 0.00 61.98 62.72 2cdv s VAL 37 Cb -0.43 -0.16 0.03 0.00 0.00 0.00 0.00 36.38 35.82 2cdv s VAL 37 CO 0.58 0.14 0.38 0.59 0.00 0.00 0.00 175.10 176.79 2cdv n ASN 38 N 4.58 -4.87 0.00 3.32 3.02 -1.26 -2.04 115.26 118.00 2cdv n ASN 38 Ca -0.19 -0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.17 2cdv n ASN 38 Cb 0.50 -4.01 0.00 0.00 -0.61 0.00 0.00 39.78 35.66 2cdv n ASN 38 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2cdv n GLY 39 N -1.21 0.61 2.86 7.41 0.00 -1.26 -5.04 105.19 108.55 2cdv n GLY 39 Ca -0.10 -0.01 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 2cdv n GLY 39 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cdv s LYS 40 N -0.22 0.10 0.32 1.61 1.02 -0.87 -5.02 119.74 116.68 2cdv s LYS 40 Ca 0.00 0.02 -0.29 0.00 0.02 0.00 0.00 55.97 55.72 2cdv s LYS 40 Cb 0.00 -0.17 -0.11 0.00 -0.52 0.00 0.00 37.83 37.03 2cdv s LYS 40 CO 0.00 -0.03 1.51 -1.21 -0.92 0.00 0.00 175.35 174.70 2cdv s GLU 41 N 0.32 4.15 -0.20 1.68 2.02 -1.26 -0.49 118.70 124.93 2cdv s GLU 41 Ca -0.03 2.51 -0.02 0.00 0.02 0.00 0.00 54.97 57.46 2cdv s GLU 41 Cb -0.05 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.17 2cdv s GLU 41 CO -0.01 -0.53 -0.11 1.21 0.02 0.00 0.00 175.26 175.84 2cdv s ASN 42 N 0.15 3.81 -0.24 -0.19 3.84 -0.60 -4.85 114.94 116.86 2cdv s ASN 42 Ca 0.58 -0.49 0.14 0.00 0.21 0.00 0.00 52.86 53.29 2cdv s ASN 42 Cb -0.46 -1.63 0.79 0.00 -0.55 0.00 0.00 41.25 39.41 2cdv s ASN 42 CO 0.54 0.00 1.72 -1.22 -2.79 0.00 0.00 177.10 175.35 2cdv n TYR 43 N 4.64 2.00 -2.23 0.43 4.01 -1.26 -4.13 117.16 120.62 2cdv n TYR 43 Ca -0.19 -0.78 -0.31 0.00 -0.16 0.00 0.00 57.90 56.47 2cdv n TYR 43 Cb 0.51 -0.51 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 2cdv n TYR 43 CO 0.00 0.00 0.00 -0.65 -0.46 0.00 0.00 176.86 175.75 2cdv s GLN 44 N -2.80 3.70 0.32 -0.72 -0.21 -1.26 -4.97 119.66 113.71 2cdv s GLN 44 Ca 0.54 0.68 -0.29 0.00 0.02 0.00 0.00 55.36 56.31 2cdv s GLN 44 Cb 0.41 -2.18 -0.12 0.00 1.00 0.00 0.00 33.01 32.12 2cdv s GLN 44 CO 0.15 -0.38 1.35 1.63 -2.12 0.00 0.00 175.29 175.92 2cdv n LYS 45 N -2.22 2.17 -0.32 2.91 5.02 -1.26 -4.83 118.16 119.63 2cdv n LYS 45 Ca 0.05 0.76 0.18 0.00 -2.02 0.00 0.00 58.31 57.28 2cdv n LYS 45 Cb 0.54 -2.38 0.44 0.00 -0.02 0.00 0.00 35.03 33.60 2cdv n LYS 45 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cdv n ALA 47 N -2.42 2.73 -1.52 0.00 0.00 -1.26 -1.63 120.51 116.42 2cdv n ALA 47 Ca 0.23 -0.93 -0.41 0.00 0.00 0.00 0.00 53.44 52.33 2cdv n ALA 47 Cb 0.72 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 19.18 2cdv n ALA 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2cdv n THR 48 N 0.70 2.16 -1.69 0.00 -1.04 -0.53 -4.46 114.28 109.42 2cdv n THR 48 Ca 0.16 -0.50 -0.44 0.00 -2.04 0.00 0.00 64.05 61.23 2cdv n THR 48 Cb 0.53 -0.79 -0.02 0.00 -1.82 0.00 0.00 70.33 68.24 2cdv n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2cdv n ALA 49 N -0.85 1.33 -0.64 2.41 0.00 -1.26 -0.81 120.51 120.69 2cdv n ALA 49 Ca 0.11 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2cdv n ALA 49 Cb 0.40 -2.29 0.00 0.00 0.00 0.00 0.00 19.45 17.57 2cdv n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2cdv n GLY 50 N 1.65 1.19 0.00 0.00 0.00 -1.26 -4.98 105.19 101.79 2cdv n GLY 50 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2cdv n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cdv n HIS 52 N 0.00 2.49 -0.22 0.00 8.25 -0.64 -4.59 115.22 120.50 2cdv n HIS 52 Ca 0.00 -2.64 0.10 0.00 -0.26 0.00 0.00 57.72 54.92 2cdv n HIS 52 Cb 0.00 -1.48 0.26 0.00 1.12 0.00 0.00 29.99 29.89 2cdv n HIS 52 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2cdv n ASP 53 N 1.95 3.59 -4.52 0.41 5.75 -0.95 -4.12 116.55 118.66 2cdv n ASP 53 Ca 0.34 -1.99 -0.43 0.00 -0.01 0.00 0.00 54.79 52.70 2cdv n ASP 53 Cb 0.33 -0.38 -0.07 0.00 -1.03 0.00 0.00 41.12 39.96 2cdv n ASP 53 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 2cdv s ASN 54 N -1.06 6.31 -0.00 -1.12 2.47 -0.71 -4.90 114.94 115.93 2cdv s ASN 54 Ca 0.40 -0.30 0.10 0.00 0.42 0.00 0.00 52.86 53.49 2cdv s ASN 54 Cb 0.21 -2.30 0.30 0.00 -1.45 0.00 0.00 41.25 38.01 2cdv s ASN 54 CO 0.28 -0.68 1.24 0.23 -3.72 0.00 0.00 177.10 174.45 2cdv n MET 55 N 6.06 1.79 -2.82 0.43 2.81 -1.26 -1.57 117.12 122.56 2cdv n MET 55 Ca -0.03 -1.21 -0.43 0.00 -1.81 0.00 0.00 57.70 54.22 2cdv n MET 55 Cb 0.48 -1.27 -0.04 0.00 -0.71 0.00 0.00 33.22 31.68 2cdv n MET 55 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2cdv s ASP 56 N -0.99 6.38 0.01 7.83 2.15 -1.26 -4.92 116.67 125.85 2cdv s ASP 56 Ca 0.22 -0.24 0.01 0.00 0.43 0.00 0.00 52.55 52.97 2cdv s ASP 56 Cb 0.12 -2.45 0.03 0.00 -0.30 0.00 0.00 42.92 40.32 2cdv s ASP 56 CO 0.15 -1.21 1.01 2.29 -0.17 0.00 0.00 175.17 177.25 2cdv n LYS 57 N 7.46 0.00 0.03 4.34 2.85 -1.26 -1.69 118.16 129.90 2cdv n LYS 57 Ca 0.03 0.50 0.12 0.00 -1.05 0.00 0.00 58.31 57.91 2cdv n LYS 57 Cb 0.48 -1.51 0.13 0.00 -0.65 0.00 0.00 35.03 33.48 2cdv n LYS 57 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2cdv n LYS 58 N -1.52 0.22 -2.50 -1.58 5.02 -1.26 -4.66 118.16 111.88 2cdv n LYS 58 Ca -0.00 0.03 -0.41 0.00 -2.02 0.00 0.00 58.31 55.92 2cdv n LYS 58 Cb 0.00 -1.61 -0.04 0.00 -0.02 0.00 0.00 35.03 33.36 2cdv n LYS 58 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2cdv s ASP 59 N -3.82 7.27 0.00 4.39 2.15 -0.68 -4.93 116.67 121.06 2cdv s ASP 59 Ca 0.06 2.16 0.08 0.00 0.43 0.00 0.00 52.55 55.28 2cdv s ASP 59 Cb 0.15 -2.61 0.13 0.00 -0.30 0.00 0.00 42.92 40.29 2cdv s ASP 59 CO 0.75 -0.19 0.95 0.29 -0.17 0.00 0.00 175.17 176.80 2cdv n LYS 60 N 1.92 1.42 -1.16 4.34 4.76 -1.26 -4.45 118.16 123.73 2cdv n LYS 60 Ca 0.01 -1.40 -0.29 0.00 -2.87 0.00 0.00 58.31 53.77 2cdv n LYS 60 Cb 0.46 -1.17 0.17 0.00 -1.84 0.00 0.00 35.03 32.65 2cdv n LYS 60 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2cdv s SER 61 N -0.81 2.82 0.54 4.39 1.04 -1.26 -4.92 113.70 115.51 2cdv s SER 61 Ca 0.12 1.30 0.24 0.00 0.48 0.00 0.00 55.95 58.09 2cdv s SER 61 Cb 0.07 -1.97 1.43 0.00 0.10 0.00 0.00 66.02 65.65 2cdv s SER 61 CO 0.10 -3.02 2.06 0.00 0.98 0.00 0.00 173.24 173.36 2cdv h ALA 62 N -1.82 2.20 0.00 5.32 0.00 -1.99 -2.15 119.26 120.82 2cdv h ALA 62 Ca -0.53 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.32 2cdv h ALA 62 Cb 1.31 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 2cdv h ALA 62 CO 0.56 -0.39 -0.22 0.87 0.00 0.00 0.00 179.25 180.07 2cdv h LYS 63 N 0.00 0.00 -6.41 0.00 1.57 -1.91 -3.44 116.57 106.38 2cdv h LYS 63 Ca 0.14 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.39 2cdv h LYS 63 Cb 0.62 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.95 2cdv h LYS 63 CO -0.00 0.22 1.13 0.20 -0.57 0.00 0.00 179.45 180.43 2cdv s GLY 64 N -4.24 1.45 0.01 3.86 0.00 -0.81 -1.74 107.32 105.84 2cdv s GLY 64 Ca -0.03 1.29 -0.24 0.00 0.00 0.00 0.00 44.72 45.75 2cdv s GLY 64 CO 0.65 3.20 1.33 -1.82 0.00 0.00 0.00 173.10 176.47 2cdv h TYR 65 N 9.40 0.14 -0.30 1.90 5.03 -1.44 -0.64 116.97 131.07 2cdv h TYR 65 Ca -0.46 -0.04 0.06 0.00 2.58 0.00 0.00 58.73 60.87 2cdv h TYR 65 Cb 1.22 -0.03 -0.05 0.00 1.55 0.00 0.00 36.73 39.41 2cdv h TYR 65 CO 0.86 0.53 -0.03 -0.92 -1.32 0.00 0.00 178.16 177.28 2cdv h TYR 66 N -0.29 -0.08 -0.13 -3.82 5.03 -1.88 -2.35 116.97 113.45 2cdv h TYR 66 Ca 0.01 0.02 0.05 0.00 2.58 0.00 0.00 58.73 61.39 2cdv h TYR 66 Cb 0.50 0.08 -0.06 0.00 1.55 0.00 0.00 36.73 38.79 2cdv h TYR 66 CO 0.08 -0.09 -0.33 1.25 -1.32 0.00 0.00 178.16 177.76 2cdv h HIS 67 N 0.05 -0.90 -0.09 -3.82 2.76 -1.75 -0.91 115.15 110.49 2cdv h HIS 67 Ca 0.14 0.04 0.02 0.00 -2.20 0.00 0.00 60.37 58.38 2cdv h HIS 67 Cb 0.20 0.42 -0.00 0.00 1.55 0.00 0.00 27.41 29.58 2cdv h HIS 67 CO -0.25 -0.40 0.09 0.00 -1.30 0.00 0.00 177.93 176.07 2cdv h ALA 68 N 0.41 1.73 0.00 5.26 0.00 -0.78 -1.06 119.26 124.82 2cdv h ALA 68 Ca 0.10 -0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.82 2cdv h ALA 68 Cb 0.55 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.31 2cdv h ALA 68 CO -0.36 -0.13 -1.52 -1.33 0.00 0.00 0.00 179.25 175.91 2cdv n MET 69 N -3.95 0.63 0.00 0.00 2.81 -0.76 -4.35 117.12 111.50 2cdv n MET 69 Ca -0.01 0.20 0.00 0.00 -1.81 0.00 0.00 57.70 56.08 2cdv n MET 69 Cb 0.19 -1.78 0.00 0.00 -0.71 0.00 0.00 33.22 30.92 2cdv n MET 69 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 2cdv n HIS 70 N -2.87 0.00 -2.14 2.03 -0.00 -0.42 -2.63 115.22 109.19 2cdv n HIS 70 Ca -0.11 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.30 2cdv n HIS 70 Cb 0.87 0.00 -0.00 0.00 -0.00 0.00 0.00 29.99 30.85 2cdv n HIS 70 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2cdv s ASP 71 N -1.79 6.35 0.30 0.41 1.01 -0.45 -4.39 116.67 118.11 2cdv s ASP 71 Ca 0.00 1.38 0.06 0.00 0.71 0.00 0.00 52.55 54.71 2cdv s ASP 71 Cb 0.00 -2.45 -0.02 0.00 1.01 0.00 0.00 42.92 41.47 2cdv s ASP 71 CO 0.00 -0.74 0.39 -0.54 0.21 0.00 0.00 175.17 174.49 2cdv s LYS 72 N -4.78 3.13 -0.64 8.23 1.02 -1.26 -4.29 119.74 121.15 2cdv s LYS 72 Ca 0.55 -0.99 0.00 0.00 0.02 0.00 0.00 55.97 55.55 2cdv s LYS 72 Cb -0.11 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.43 2cdv s LYS 72 CO 0.46 0.19 0.00 0.41 -0.92 0.00 0.00 175.35 175.50 2cdv n GLY 73 N -1.50 0.83 3.89 -3.33 0.00 -1.26 -5.01 105.19 98.81 2cdv n GLY 73 Ca -0.03 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.16 2cdv n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cdv s THR 74 N -2.14 4.87 0.34 2.61 -4.23 -1.26 -4.99 115.64 110.83 2cdv s THR 74 Ca 0.00 0.37 0.04 0.00 -1.18 0.00 0.00 61.69 60.91 2cdv s THR 74 Cb 0.00 -3.80 0.29 0.00 1.34 0.00 0.00 72.50 70.33 2cdv s THR 74 CO 0.00 -0.67 1.95 0.50 -0.54 0.00 0.00 174.62 175.85 2cdv h LYS 75 N 0.77 0.84 -6.62 3.99 3.64 -1.98 -3.39 116.57 113.82 2cdv h LYS 75 Ca -0.47 -0.05 -0.68 0.00 -1.27 0.00 0.00 60.65 58.18 2cdv h LYS 75 Cb 1.20 -0.19 -0.19 0.00 -0.41 0.00 0.00 32.23 32.64 2cdv h LYS 75 CO 0.63 0.56 -0.78 -0.06 -2.27 0.00 0.00 179.45 177.52 2cdv s PHE 76 N -5.76 2.60 0.23 1.91 0.08 -1.26 -5.10 117.98 110.68 2cdv s PHE 76 Ca -0.10 -0.23 -0.30 0.00 0.12 0.00 0.00 56.93 56.42 2cdv s PHE 76 Cb 0.19 -1.41 -0.09 0.00 -0.57 0.00 0.00 43.02 41.14 2cdv s PHE 76 CO 0.78 0.35 1.36 0.15 -0.10 0.00 0.00 175.22 177.76 2cdv s LYS 77 N -1.90 4.34 0.78 0.44 1.02 -1.26 -4.99 119.74 118.17 2cdv s LYS 77 Ca 0.18 2.16 -0.12 0.00 0.02 0.00 0.00 55.97 58.21 2cdv s LYS 77 Cb -0.11 -3.15 0.06 0.00 -0.52 0.00 0.00 37.83 34.11 2cdv s LYS 77 CO 0.09 -0.31 1.14 -1.54 -0.92 0.00 0.00 175.35 173.82 2cdv s SER 78 N 0.28 4.77 0.09 2.83 1.04 -1.26 -4.78 113.70 116.67 2cdv s SER 78 Ca 0.57 0.94 -0.27 0.00 0.48 0.00 0.00 55.95 57.68 2cdv s SER 78 Cb -0.39 -1.56 -0.11 0.00 0.10 0.00 0.00 66.02 64.07 2cdv s SER 78 CO 0.41 -1.75 1.43 0.00 0.98 0.00 0.00 173.24 174.31 2cdv h VAL 80 N -0.52 1.17 -0.32 0.00 2.07 -1.77 -1.82 116.25 115.07 2cdv h VAL 80 Ca 0.01 -0.47 0.07 0.00 0.82 0.00 0.00 66.70 67.13 2cdv h VAL 80 Cb 0.56 0.71 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 2cdv h VAL 80 CO -0.29 0.18 -0.11 1.23 0.02 0.00 0.00 177.57 178.60 2cdv h GLY 81 N 0.54 0.17 1.25 2.17 0.00 -1.71 0.35 103.07 105.83 2cdv h GLY 81 Ca 0.14 0.15 -0.13 0.00 0.00 0.00 0.00 47.33 47.49 2cdv h GLY 81 CO -0.02 -0.14 -0.29 0.00 0.00 0.00 0.00 176.54 176.09 2cdv h HIS 83 N 0.72 1.14 -0.32 0.00 3.86 -0.96 0.42 115.15 120.01 2cdv h HIS 83 Ca 0.08 -0.14 0.04 0.00 -1.16 0.00 0.00 60.37 59.19 2cdv h HIS 83 Cb 0.84 -0.32 -0.04 0.00 1.06 0.00 0.00 27.41 28.95 2cdv h HIS 83 CO 0.05 0.94 0.08 -0.07 0.86 0.00 0.00 177.93 179.78 2cdv h LEU 84 N 1.02 0.04 -0.73 2.43 3.38 -0.15 -1.20 115.31 120.10 2cdv h LEU 84 Ca 0.21 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 2cdv h LEU 84 Cb 0.39 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.17 2cdv h LEU 84 CO 0.01 0.06 0.34 -0.33 0.09 0.00 0.00 178.44 178.60 2cdv h GLU 85 N 0.19 1.07 -0.14 1.13 5.08 -1.29 -2.91 114.58 117.72 2cdv h GLU 85 Ca 0.15 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2cdv h GLU 85 Cb 0.15 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2cdv h GLU 85 CO -0.18 0.85 0.09 1.15 -1.00 0.00 0.00 179.01 179.91 2cdv h THR 86 N 1.03 1.03 0.00 1.13 2.02 -0.48 -3.03 112.91 114.62 2cdv h THR 86 Ca 0.25 -0.06 -0.07 0.00 0.77 0.00 0.00 66.41 67.29 2cdv h THR 86 Cb 0.14 0.84 -0.01 0.00 -1.74 0.00 0.00 68.15 67.38 2cdv h THR 86 CO -0.03 0.03 -0.35 0.00 0.37 0.00 0.00 175.52 175.54 2cdv h ALA 87 N 1.05 1.39 -0.87 6.16 0.00 -1.13 -3.47 119.26 122.38 2cdv h ALA 87 Ca 0.05 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.64 2cdv h ALA 87 Cb -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2cdv h ALA 87 CO -0.01 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.09 2cdv n GLY 88 N -0.48 3.56 1.12 0.00 0.00 -1.11 -1.51 105.19 106.77 2cdv n GLY 88 Ca -0.02 -0.05 0.10 0.00 0.00 0.00 0.00 46.02 46.05 2cdv n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cdv n ALA 89 N 11.51 2.40 -2.58 4.61 0.00 -1.26 -4.87 120.51 130.32 2cdv n ALA 89 Ca 0.00 -1.06 -0.43 0.00 0.00 0.00 0.00 53.44 51.95 2cdv n ALA 89 Cb 0.00 -0.95 -0.05 0.00 0.00 0.00 0.00 19.45 18.45 2cdv n ALA 89 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2cdv s ASP 90 N -1.00 6.55 0.17 0.00 3.68 -0.57 -4.93 116.67 120.57 2cdv s ASP 90 Ca 0.41 0.30 -0.09 0.00 2.13 0.00 0.00 52.55 55.29 2cdv s ASP 90 Cb 0.21 -2.43 0.04 0.00 -1.45 0.00 0.00 42.92 39.29 2cdv s ASP 90 CO 0.28 -0.86 1.57 0.00 0.13 0.00 0.00 175.17 176.28 2cdv h ALA 91 N 8.69 0.73 -0.08 3.66 0.00 -1.89 -1.19 119.26 129.17 2cdv h ALA 91 Ca -0.24 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.30 2cdv h ALA 91 Cb 1.08 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2cdv h ALA 91 CO 0.96 0.67 -0.03 0.00 0.00 0.00 0.00 179.25 180.86 2cdv h ALA 92 N 0.91 0.04 -0.76 0.00 0.00 -1.96 -2.11 119.26 115.39 2cdv h ALA 92 Ca 0.12 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 2cdv h ALA 92 Cb 0.76 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 2cdv h ALA 92 CO 0.06 -0.50 0.27 0.87 0.00 0.00 0.00 179.25 179.96 2cdv h LYS 93 N -0.01 1.16 -0.54 0.00 1.79 -1.87 -2.06 116.57 115.03 2cdv h LYS 93 Ca 0.04 -0.23 0.08 0.00 -2.18 0.00 0.00 60.65 58.36 2cdv h LYS 93 Cb 0.07 -0.18 -0.06 0.00 -1.58 0.00 0.00 32.23 30.48 2cdv h LYS 93 CO -0.09 0.96 0.20 0.87 -1.08 0.00 0.00 179.45 180.31 2cdv h LYS 94 N 1.12 0.37 0.84 3.15 1.57 -1.11 0.12 116.57 122.63 2cdv h LYS 94 Ca 0.25 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.97 2cdv h LYS 94 Cb 0.26 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.50 2cdv h LYS 94 CO -0.01 0.25 -0.40 -0.22 -0.57 0.00 0.00 179.45 178.49 2cdv h LYS 95 N 0.38 -1.09 -0.64 3.15 3.11 -1.24 0.25 116.57 120.49 2cdv h LYS 95 Ca 0.26 0.07 0.10 0.00 -2.81 0.00 0.00 60.65 58.28 2cdv h LYS 95 Cb 0.29 0.25 -0.08 0.00 -1.00 0.00 0.00 32.23 31.69 2cdv h LYS 95 CO -0.26 -0.72 0.25 1.49 -2.81 0.00 0.00 179.45 177.40 2cdv h GLU 96 N -1.20 0.42 0.00 1.90 4.81 -1.29 -1.62 114.58 117.59 2cdv h GLU 96 Ca -0.12 -0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.03 2cdv h GLU 96 Cb 0.87 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.15 2cdv h GLU 96 CO 0.19 0.27 -1.86 1.28 -0.73 0.00 0.00 179.01 178.16 2cdv n LEU 97 N -4.99 0.18 0.00 1.64 4.77 0.02 -0.23 117.00 118.40 2cdv n LEU 97 Ca 0.10 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.15 2cdv n LEU 97 Cb 0.30 0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 2cdv n LEU 97 CO 0.21 0.04 0.11 0.35 -1.33 0.00 0.00 177.39 176.78 2cdv n THR 98 N -2.42 0.00 -1.76 -5.08 -2.24 0.84 -4.85 114.28 98.77 2cdv n THR 98 Ca -0.07 -0.30 -0.41 0.00 -2.27 0.00 0.00 64.05 61.00 2cdv n THR 98 Cb 0.66 1.31 0.01 0.00 -2.10 0.00 0.00 70.33 70.20 2cdv n THR 98 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2cdv n GLY 99 N 0.14 1.03 0.15 3.38 0.00 -0.61 -4.90 105.19 104.38 2cdv n GLY 99 Ca 0.00 0.24 0.04 0.00 0.00 0.00 0.00 46.02 46.30 2cdv n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cdv s LYS 101 N -3.07 0.21 -1.65 0.00 2.20 -1.26 -4.78 119.74 111.39 2cdv s LYS 101 Ca 0.04 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.35 2cdv s LYS 101 Cb 0.08 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.48 2cdv s LYS 101 CO 0.73 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 176.09 2cdv n GLY 102 N 2.22 -0.35 3.93 5.54 0.00 -0.11 -4.96 105.19 111.46 2cdv n GLY 102 Ca -0.19 -0.08 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 2cdv n GLY 102 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2cdv s SER 103 N -2.16 4.76 0.49 1.61 1.04 -0.57 -4.72 113.70 114.15 2cdv s SER 103 Ca 0.00 -1.12 0.32 0.00 0.48 0.00 0.00 55.95 55.63 2cdv s SER 103 Cb 0.00 0.31 1.38 0.00 0.10 0.00 0.00 66.02 67.81 2cdv s SER 103 CO 0.00 -1.12 1.95 0.11 0.98 0.00 0.00 173.24 175.16 2cdv h LYS 104 N 0.66 0.00 0.00 4.02 1.57 -0.85 -3.19 116.57 118.77 2cdv h LYS 104 Ca -0.36 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.32 2cdv h LYS 104 Cb 1.30 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 2cdv h LYS 104 CO 0.54 0.00 -0.76 0.00 -0.57 0.00 0.00 179.45 178.66 2cdv s HIS 106 N -2.23 2.99 -2.00 0.00 3.76 -1.21 -4.61 115.29 112.00 2cdv s HIS 106 Ca -0.20 -2.16 0.09 0.00 -0.15 0.00 0.00 55.06 52.63 2cdv s HIS 106 Cb 0.03 -1.85 0.52 0.00 1.11 0.00 0.00 32.58 32.39 2cdv s HIS 106 CO 0.42 -0.85 0.97 -1.13 -0.85 0.00 0.00 174.74 173.30