#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pdz s LYS 2 N 0.00 0.20 0.00 0.54 0.00 -1.26 -5.03 119.74 114.20 3pdz s LYS 2 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 55.97 56.28 3pdz s LYS 2 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 37.83 37.87 3pdz s LYS 2 CO 0.00 -0.06 0.55 -0.35 0.00 0.00 0.00 175.35 175.49 3pdz n PRO 3 N 3.28 0.00 0.00 1.78 -0.04 -1.26 -4.91 135.00 133.85 3pdz n PRO 3 Ca -0.16 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3pdz n PRO 3 Cb 0.57 -1.06 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 3pdz n PRO 3 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3pdz n GLY 4 N -0.35 2.75 3.75 0.55 0.00 -1.26 -5.03 105.19 105.61 3pdz n GLY 4 Ca 0.00 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 3pdz n GLY 4 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3pdz s ASP 5 N 0.47 5.45 -0.03 1.61 -4.77 -1.26 -4.80 116.67 113.34 3pdz s ASP 5 Ca 0.00 2.57 -0.01 0.00 -3.30 0.00 0.00 52.55 51.81 3pdz s ASP 5 Cb 0.00 -2.62 -0.04 0.00 -1.09 0.00 0.00 42.92 39.17 3pdz s ASP 5 CO 0.00 -1.43 0.07 -0.63 0.70 0.00 0.00 175.17 173.88 3pdz s ILE 6 N -1.42 4.73 0.14 2.11 1.09 -1.26 -1.53 121.20 125.05 3pdz s ILE 6 Ca 0.71 -0.34 -0.02 0.00 -1.10 0.00 0.00 60.65 59.91 3pdz s ILE 6 Cb -0.35 -3.13 -0.04 0.00 -1.06 0.00 0.00 42.46 37.88 3pdz s ILE 6 CO 0.41 0.41 0.08 0.72 -0.10 0.00 0.00 174.94 176.46 3pdz s PHE 7 N -1.14 0.83 0.02 3.97 -0.12 -0.75 -4.90 117.98 115.90 3pdz s PHE 7 Ca 0.21 -1.20 0.04 0.00 -0.05 0.00 0.00 56.93 55.93 3pdz s PHE 7 Cb -0.12 -0.45 -0.02 0.00 -0.63 0.00 0.00 43.02 41.81 3pdz s PHE 7 CO 0.11 -0.54 -0.14 -1.83 -0.05 0.00 0.00 175.22 172.78 3pdz s GLU 8 N -4.05 0.97 -0.30 1.99 -1.05 -1.26 0.15 118.70 115.15 3pdz s GLU 8 Ca 0.24 -0.64 -0.11 0.00 -0.15 0.00 0.00 54.97 54.31 3pdz s GLU 8 Cb 0.07 -0.96 -0.03 0.00 -0.44 0.00 0.00 34.13 32.77 3pdz s GLU 8 CO 0.02 0.25 0.19 0.54 0.95 0.00 0.00 175.26 177.21 3pdz s VAL 9 N -0.64 5.05 -0.95 1.83 0.11 0.67 -4.91 120.40 121.56 3pdz s VAL 9 Ca 0.03 -0.13 -0.01 0.00 -2.93 0.00 0.00 61.98 58.94 3pdz s VAL 9 Cb -0.07 -3.50 0.28 0.00 -1.53 0.00 0.00 36.38 31.56 3pdz s VAL 9 CO 0.01 0.13 1.19 1.21 -3.33 0.00 0.00 175.10 174.31 3pdz n GLU 10 N 5.05 3.71 -2.55 1.54 2.13 -1.23 -0.09 120.64 129.19 3pdz n GLU 10 Ca -0.14 -4.58 -0.26 0.00 0.66 0.00 0.00 57.16 52.85 3pdz n GLU 10 Cb 0.51 -2.44 0.02 0.00 0.27 0.00 0.00 31.44 29.80 3pdz n GLU 10 CO 0.00 0.00 0.00 -1.17 -0.41 0.00 0.00 177.13 175.55 3pdz s LEU 11 N -2.47 3.37 -0.78 4.31 2.96 0.11 -4.86 118.68 121.31 3pdz s LEU 11 Ca 0.33 0.63 -0.16 0.00 -0.22 0.00 0.00 54.13 54.71 3pdz s LEU 11 Cb 0.05 -3.49 0.16 0.00 0.50 0.00 0.00 46.19 43.42 3pdz s LEU 11 CO 0.04 -0.93 0.83 0.00 -1.32 0.00 0.00 176.35 174.96 3pdz s ALA 12 N -2.86 3.72 0.58 5.97 0.00 -1.26 0.16 121.76 128.06 3pdz s ALA 12 Ca 0.52 -2.88 0.28 0.00 0.00 0.00 0.00 51.96 49.88 3pdz s ALA 12 Cb -0.10 -3.64 1.65 0.00 0.00 0.00 0.00 23.12 21.03 3pdz s ALA 12 CO 0.43 -2.46 2.14 -0.22 0.00 0.00 0.00 175.76 175.65 3pdz h LYS 13 N 8.45 0.00 0.11 0.00 3.11 -1.68 -1.99 116.57 124.58 3pdz h LYS 13 Ca -0.00 0.00 -0.23 0.00 -2.81 0.00 0.00 60.65 57.61 3pdz h LYS 13 Cb 1.05 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.28 3pdz h LYS 13 CO 0.94 0.00 -1.13 -0.91 -2.81 0.00 0.00 179.45 175.54 3pdz h ASN 14 N 0.00 0.37 -0.88 4.20 2.35 0.19 -3.35 115.58 118.46 3pdz h ASN 14 Ca 0.07 -0.87 0.11 0.00 -0.55 0.00 0.00 56.30 55.05 3pdz h ASN 14 Cb 0.35 -0.12 -0.08 0.00 0.05 0.00 0.00 38.32 38.52 3pdz h ASN 14 CO -0.00 1.50 0.52 -0.78 -1.65 0.00 0.00 177.43 177.02 3pdz h ASP 15 N -0.40 0.74 -5.28 5.81 3.58 -1.67 -3.46 116.42 115.75 3pdz h ASP 15 Ca -0.24 0.05 0.12 0.00 0.42 0.00 0.00 57.03 57.39 3pdz h ASP 15 Cb 1.66 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 42.57 3pdz h ASP 15 CO 0.07 0.40 0.47 0.20 -2.88 0.00 0.00 179.24 177.50 3pdz s ASN 16 N -5.62 -0.07 0.00 2.28 -0.87 -0.81 -5.11 114.94 104.75 3pdz s ASN 16 Ca -0.12 -0.69 0.00 0.00 -1.57 0.00 0.00 52.86 50.48 3pdz s ASN 16 Cb 0.20 0.59 0.00 0.00 -0.02 0.00 0.00 41.25 42.02 3pdz s ASN 16 CO 0.79 -1.14 0.00 -1.20 -2.57 0.00 0.00 177.10 172.98 3pdz n SER 17 N -0.99 0.00 -2.24 -1.22 7.64 -1.26 -4.13 113.62 111.41 3pdz n SER 17 Ca -0.05 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.81 3pdz n SER 17 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 3pdz n SER 17 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3pdz n LEU 18 N 0.00 0.00 -1.42 -3.43 7.99 -1.26 -3.62 117.00 115.26 3pdz n LEU 18 Ca 0.00 -0.22 -0.03 0.00 -0.01 0.00 0.00 56.01 55.75 3pdz n LEU 18 Cb 0.00 -0.03 0.01 0.00 -0.11 0.00 0.00 43.42 43.29 3pdz n LEU 18 CO 0.00 -0.46 0.34 0.61 -1.51 0.00 0.00 177.39 176.37 3pdz n GLY 19 N 4.42 0.51 3.52 -0.72 0.00 -1.26 -3.18 105.19 108.49 3pdz n GLY 19 Ca 0.01 -0.05 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 3pdz n GLY 19 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3pdz s ILE 20 N 0.04 3.33 -0.47 -0.61 2.07 -1.26 -0.59 121.20 123.71 3pdz s ILE 20 Ca 0.02 -0.66 -0.18 0.00 -1.41 0.00 0.00 60.65 58.42 3pdz s ILE 20 Cb 0.12 -2.34 0.05 0.00 0.13 0.00 0.00 42.46 40.42 3pdz s ILE 20 CO -0.04 0.56 0.51 -0.55 -1.91 0.00 0.00 174.94 173.52 3pdz s SER 21 N -0.86 6.20 0.23 4.50 0.15 -0.84 -4.88 113.70 118.20 3pdz s SER 21 Ca 0.12 -0.90 -0.05 0.00 0.70 0.00 0.00 55.95 55.82 3pdz s SER 21 Cb -0.11 -2.24 -0.06 0.00 -1.71 0.00 0.00 66.02 61.90 3pdz s SER 21 CO 0.02 -0.72 0.49 0.68 1.20 0.00 0.00 173.24 174.90 3pdz s VAL 22 N 2.24 5.06 0.35 4.45 -7.23 -1.26 -1.05 120.40 122.96 3pdz s VAL 22 Ca 0.12 0.09 -0.04 0.00 -1.81 0.00 0.00 61.98 60.34 3pdz s VAL 22 Cb -0.19 -3.68 0.01 0.00 0.56 0.00 0.00 36.38 33.07 3pdz s VAL 22 CO 0.12 -0.16 0.51 0.42 -0.31 0.00 0.00 175.10 175.68 3pdz s THR 23 N -1.90 0.00 0.00 5.32 -4.23 -1.17 -4.69 115.64 108.97 3pdz s THR 23 Ca 0.43 -1.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.41 3pdz s THR 23 Cb -0.11 -2.67 0.00 0.00 1.34 0.00 0.00 72.50 71.06 3pdz s THR 23 CO 0.27 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.96 3pdz n GLY 24 N -0.57 2.91 5.00 3.99 0.00 -1.26 -3.17 105.19 112.10 3pdz n GLY 24 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3pdz n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pdz n GLY 25 N 0.00 0.62 1.65 -0.02 0.00 -1.24 -2.62 105.19 103.58 3pdz n GLY 25 Ca 0.00 -0.01 -0.24 0.00 0.00 0.00 0.00 46.02 45.77 3pdz n GLY 25 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3pdz n VAL 26 N 0.00 0.76 -1.17 1.61 0.24 -1.26 -4.00 118.33 114.52 3pdz n VAL 26 Ca 0.00 -0.19 -0.35 0.00 -2.04 0.00 0.00 64.34 61.76 3pdz n VAL 26 Cb 0.00 0.00 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 3pdz n VAL 26 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3pdz n ASN 27 N 0.91 5.54 0.01 -1.34 4.13 -1.25 -3.50 115.26 119.76 3pdz n ASN 27 Ca 0.09 -2.55 0.00 0.00 1.68 0.00 0.00 54.58 53.80 3pdz n ASN 27 Cb 0.10 -1.35 0.00 0.00 -1.54 0.00 0.00 39.78 37.00 3pdz n ASN 27 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 3pdz n THR 28 N 4.47 0.00 0.01 3.41 -1.04 -1.26 -4.93 114.28 114.93 3pdz n THR 28 Ca 0.57 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 62.52 3pdz n THR 28 Cb 0.25 -0.21 -0.12 0.00 -1.82 0.00 0.00 70.33 68.43 3pdz n THR 28 CO 0.00 0.00 0.00 -1.28 -0.64 0.00 0.00 175.07 173.15 3pdz h SER 29 N 0.00 0.00 -3.98 8.00 0.87 -1.91 -3.47 113.55 113.06 3pdz h SER 29 Ca 0.00 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.25 3pdz h SER 29 Cb 0.00 0.00 0.10 0.00 -0.44 0.00 0.00 62.40 62.06 3pdz h SER 29 CO 0.00 0.93 0.20 1.33 -0.53 0.00 0.00 176.83 178.76 3pdz n VAL 30 N -3.08 0.00 -0.08 2.23 0.24 -1.24 -5.00 118.33 111.40 3pdz n VAL 30 Ca -0.12 -0.87 -0.10 0.00 -2.04 0.00 0.00 64.34 61.21 3pdz n VAL 30 Cb 0.99 -1.39 -0.02 0.00 -1.47 0.00 0.00 33.84 31.95 3pdz n VAL 30 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 3pdz h ARG 31 N 0.00 0.39 0.00 7.34 2.43 -1.91 -3.45 114.38 119.18 3pdz h ARG 31 Ca -0.27 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 3pdz h ARG 31 Cb 0.84 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.32 3pdz h ARG 31 CO 0.23 0.33 0.00 0.72 -1.51 0.00 0.00 179.97 179.74 3pdz n HIS 32 N -4.83 -3.09 -1.86 2.20 8.25 -1.26 -4.99 115.22 109.64 3pdz n HIS 32 Ca -0.02 0.80 -0.03 0.00 -0.26 0.00 0.00 57.72 58.21 3pdz n HIS 32 Cb 0.07 1.80 -0.03 0.00 1.12 0.00 0.00 29.99 32.95 3pdz n HIS 32 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3pdz n GLY 33 N 0.26 0.57 3.90 -1.41 0.00 -1.26 -3.92 105.19 103.32 3pdz n GLY 33 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 3pdz n GLY 33 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3pdz s GLY 34 N -0.41 1.70 0.20 -0.02 0.00 -1.26 -2.01 107.32 105.54 3pdz s GLY 34 Ca 0.00 -0.50 -0.06 0.00 0.00 0.00 0.00 44.72 44.16 3pdz s GLY 34 CO 0.00 -0.37 0.46 -1.50 0.00 0.00 0.00 173.10 171.70 3pdz s ILE 35 N -2.38 5.08 -0.22 0.90 -1.16 -1.24 -3.58 121.20 118.59 3pdz s ILE 35 Ca 0.46 0.11 -0.02 0.00 -0.51 0.00 0.00 60.65 60.69 3pdz s ILE 35 Cb -0.10 -3.66 0.07 0.00 0.61 0.00 0.00 42.46 39.38 3pdz s ILE 35 CO 0.35 -0.09 0.04 -0.31 -2.81 0.00 0.00 174.94 172.12 3pdz s TYR 36 N -1.82 1.26 0.71 3.50 1.51 -1.19 -2.70 117.35 118.61 3pdz s TYR 36 Ca 0.43 -1.11 -0.16 0.00 -1.01 0.00 0.00 57.07 55.22 3pdz s TYR 36 Cb -0.11 -1.21 -0.01 0.00 -0.11 0.00 0.00 41.96 40.52 3pdz s TYR 36 CO 0.25 -0.69 0.85 1.33 -1.11 0.00 0.00 175.55 176.19 3pdz n VAL 37 N 4.98 2.63 -0.06 0.71 0.24 -1.20 -3.05 118.33 122.58 3pdz n VAL 37 Ca -0.08 -0.39 -0.21 0.00 -2.04 0.00 0.00 64.34 61.62 3pdz n VAL 37 Cb 0.46 -1.01 -0.12 0.00 -1.47 0.00 0.00 33.84 31.70 3pdz n VAL 37 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 3pdz h LYS 38 N -0.21 0.09 -1.69 7.34 5.09 -1.37 1.23 116.57 127.05 3pdz h LYS 38 Ca -0.47 -0.15 0.27 0.00 0.09 0.00 0.00 60.65 60.39 3pdz h LYS 38 Cb 1.34 0.06 -0.13 0.00 0.10 0.00 0.00 32.23 33.60 3pdz h LYS 38 CO 0.46 1.07 0.73 0.00 -2.09 0.00 0.00 179.45 179.62 3pdz s ALA 39 N -2.40 -2.06 -0.39 0.07 0.00 -1.01 -4.36 121.76 111.61 3pdz s ALA 39 Ca -0.25 0.79 -0.17 0.00 0.00 0.00 0.00 51.96 52.34 3pdz s ALA 39 Cb 0.05 0.32 0.01 0.00 0.00 0.00 0.00 23.12 23.50 3pdz s ALA 39 CO 0.66 -0.93 0.41 0.14 0.00 0.00 0.00 175.76 176.04 3pdz s VAL 40 N -2.65 5.11 -0.42 0.00 -7.23 -1.26 -1.99 120.40 111.96 3pdz s VAL 40 Ca 0.12 -0.21 -0.29 0.00 -1.81 0.00 0.00 61.98 59.79 3pdz s VAL 40 Cb 0.02 -3.97 0.02 0.00 0.56 0.00 0.00 36.38 33.01 3pdz s VAL 40 CO -0.03 -0.31 1.21 -0.63 -0.31 0.00 0.00 175.10 175.03 3pdz s ILE 41 N 2.10 4.16 -0.40 -0.62 1.09 0.24 -4.76 121.20 123.01 3pdz s ILE 41 Ca 0.12 1.22 -0.15 0.00 -1.10 0.00 0.00 60.65 60.74 3pdz s ILE 41 Cb -0.17 -4.44 -0.16 0.00 -1.06 0.00 0.00 42.46 36.63 3pdz s ILE 41 CO 0.13 -0.83 1.64 -0.81 -0.10 0.00 0.00 174.94 174.97 3pdz n PRO 42 N 7.73 0.85 0.04 2.79 -0.04 -1.26 -2.92 135.00 142.19 3pdz n PRO 42 Ca 0.13 -1.20 0.00 0.00 -0.04 0.00 0.00 63.50 62.40 3pdz n PRO 42 Cb 0.48 -2.48 0.00 0.00 -0.04 0.00 0.00 33.50 31.47 3pdz n PRO 42 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3pdz n GLN 43 N 6.17 0.00 -3.02 0.54 6.02 -1.26 -4.94 117.38 120.88 3pdz n GLN 43 Ca 0.35 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 57.05 3pdz n GLN 43 Cb 0.25 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.47 3pdz n GLN 43 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3pdz s GLY 44 N -3.57 1.95 0.51 1.08 0.00 -1.15 -4.88 107.32 101.26 3pdz s GLY 44 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 44.72 44.44 3pdz s GLY 44 CO 0.00 -0.13 0.92 0.00 0.00 0.00 0.00 173.10 173.90 3pdz h ALA 45 N 1.47 1.75 -0.16 3.20 0.00 -1.61 -2.29 119.26 121.62 3pdz h ALA 45 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3pdz h ALA 45 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3pdz h ALA 45 CO 0.65 -0.75 0.00 0.00 0.00 0.00 0.00 179.25 179.15 3pdz n ALA 46 N -1.40 -0.20 -0.22 0.00 0.00 -1.26 -1.57 120.51 115.86 3pdz n ALA 46 Ca -0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3pdz n ALA 46 Cb 0.86 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.61 3pdz n ALA 46 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3pdz h GLU 47 N 0.00 0.86 0.27 0.00 4.22 -1.53 1.05 114.58 119.46 3pdz h GLU 47 Ca 0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.38 3pdz h GLU 47 Cb 0.00 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 3pdz h GLU 47 CO 0.00 0.57 -0.22 0.77 -2.18 0.00 0.00 179.01 177.95 3pdz h SER 48 N 0.89 -0.57 -0.69 1.04 0.02 -1.57 -2.90 113.55 109.76 3pdz h SER 48 Ca 0.32 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 61.28 3pdz h SER 48 Cb 0.15 0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.84 3pdz h SER 48 CO -0.11 -0.30 0.31 0.44 -1.14 0.00 0.00 176.83 176.03 3pdz h ASP 49 N -0.47 0.94 -1.25 3.07 3.32 -1.10 -3.47 116.42 117.46 3pdz h ASP 49 Ca -0.04 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.89 3pdz h ASP 49 Cb 0.39 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3pdz h ASP 49 CO 0.00 0.82 0.00 0.61 -1.72 0.00 0.00 179.24 178.95 3pdz n GLY 50 N -1.02 0.78 0.06 2.75 0.00 0.36 -5.02 105.19 103.10 3pdz n GLY 50 Ca 0.07 -0.56 -0.03 0.00 0.00 0.00 0.00 46.02 45.50 3pdz n GLY 50 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3pdz h ARG 51 N 0.00 -0.01 -7.09 1.61 9.65 -1.84 -3.47 114.38 113.23 3pdz h ARG 51 Ca 0.00 0.00 -0.48 0.00 -1.10 0.00 0.00 59.98 58.40 3pdz h ARG 51 Cb 0.92 0.00 0.05 0.00 -1.39 0.00 0.00 29.97 29.56 3pdz h ARG 51 CO 0.00 0.16 0.17 0.42 2.80 0.00 0.00 179.97 183.53 3pdz s ILE 52 N -1.71 4.00 0.04 1.20 -1.09 -1.26 -4.87 121.20 117.51 3pdz s ILE 52 Ca -0.03 0.10 -0.00 0.00 -2.23 0.00 0.00 60.65 58.48 3pdz s ILE 52 Cb -0.00 -3.57 -0.03 0.00 -1.58 0.00 0.00 42.46 37.27 3pdz s ILE 52 CO 0.12 -0.59 -0.04 -1.00 -1.23 0.00 0.00 174.94 172.21 3pdz s HIS 53 N -2.95 0.44 0.06 3.97 3.76 -1.26 -4.90 115.29 114.42 3pdz s HIS 53 Ca 0.52 -0.77 -0.28 0.00 -0.15 0.00 0.00 55.06 54.38 3pdz s HIS 53 Cb -0.10 -0.31 -0.15 0.00 1.11 0.00 0.00 32.58 33.12 3pdz s HIS 53 CO 0.46 -0.25 0.69 1.63 -0.85 0.00 0.00 174.74 176.41 3pdz n LYS 54 N 0.88 0.00 -3.11 1.40 5.02 -1.26 -0.77 118.16 120.32 3pdz n LYS 54 Ca -0.19 0.00 -0.20 0.00 -2.02 0.00 0.00 58.31 55.90 3pdz n LYS 54 Cb 0.58 -1.05 -0.00 0.00 -0.02 0.00 0.00 35.03 34.54 3pdz n LYS 54 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3pdz n GLY 55 N 1.36 -0.49 3.72 0.72 0.00 0.42 -4.76 105.19 106.17 3pdz n GLY 55 Ca 0.15 0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.83 3pdz n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3pdz s ASP 56 N -2.55 6.64 -1.12 1.61 1.01 0.05 -4.12 116.67 118.20 3pdz s ASP 56 Ca 0.29 2.56 -0.20 0.00 0.71 0.00 0.00 52.55 55.92 3pdz s ASP 56 Cb -0.15 -2.60 0.08 0.00 1.01 0.00 0.00 42.92 41.26 3pdz s ASP 56 CO 0.36 -0.77 1.50 -0.60 0.21 0.00 0.00 175.17 175.86 3pdz s ARG 57 N 0.95 3.77 -0.37 8.23 3.00 -1.03 -3.27 118.95 130.23 3pdz s ARG 57 Ca 0.68 -1.65 -0.28 0.00 -1.00 0.00 0.00 55.73 53.48 3pdz s ARG 57 Cb -0.42 -5.33 0.02 0.00 0.00 0.00 0.00 34.95 29.22 3pdz s ARG 57 CO 0.32 -2.12 1.03 0.14 0.00 0.00 0.00 175.30 174.67 3pdz s VAL 58 N 4.06 4.48 -0.28 7.11 -7.23 -1.10 0.68 120.40 128.12 3pdz s VAL 58 Ca 0.46 1.41 0.14 0.00 -1.81 0.00 0.00 61.98 62.19 3pdz s VAL 58 Cb 0.00 -4.42 -0.19 0.00 0.56 0.00 0.00 36.38 32.34 3pdz s VAL 58 CO -0.03 -0.61 0.42 0.18 -0.31 0.00 0.00 175.10 174.75 3pdz n LEU 59 N 7.02 0.27 -3.81 1.32 4.77 -1.16 -3.71 117.00 121.70 3pdz n LEU 59 Ca 0.10 -0.21 -0.12 0.00 -0.03 0.00 0.00 56.01 55.75 3pdz n LEU 59 Cb 0.48 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.48 3pdz n LEU 59 CO 0.61 0.07 -0.06 0.00 -1.33 0.00 0.00 177.39 176.68 3pdz s ALA 60 N -2.68 -0.57 -0.26 -1.18 0.00 -0.83 0.12 121.76 116.37 3pdz s ALA 60 Ca -0.01 0.06 -0.04 0.00 0.00 0.00 0.00 51.96 51.98 3pdz s ALA 60 Cb 0.09 0.13 0.09 0.00 0.00 0.00 0.00 23.12 23.44 3pdz s ALA 60 CO 0.57 -0.27 0.11 0.08 0.00 0.00 0.00 175.76 176.26 3pdz s VAL 61 N -1.61 0.04 -0.79 0.00 1.01 -0.93 -2.30 120.40 115.81 3pdz s VAL 61 Ca -0.12 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.19 3pdz s VAL 61 Cb -0.05 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.38 3pdz s VAL 61 CO 0.02 -0.59 0.00 0.59 0.00 0.00 0.00 175.10 175.11 3pdz n ASN 62 N 5.21 -5.08 0.00 3.32 5.03 0.60 -1.58 115.26 122.76 3pdz n ASN 62 Ca -0.06 0.18 0.00 0.00 0.87 0.00 0.00 54.58 55.57 3pdz n ASN 62 Cb 0.44 -3.24 0.00 0.00 -1.02 0.00 0.00 39.78 35.96 3pdz n ASN 62 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3pdz n GLY 63 N -0.49 0.99 3.46 7.41 0.00 -1.26 -5.07 105.19 110.24 3pdz n GLY 63 Ca -0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 3pdz n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3pdz s VAL 64 N -2.00 4.87 0.10 1.61 0.11 -0.61 -5.02 120.40 119.45 3pdz s VAL 64 Ca 0.00 -0.36 -0.32 0.00 -2.93 0.00 0.00 61.98 58.37 3pdz s VAL 64 Cb 0.00 -4.27 -0.11 0.00 -1.53 0.00 0.00 36.38 30.47 3pdz s VAL 64 CO 0.00 -0.74 1.83 -1.20 -3.33 0.00 0.00 175.10 171.66 3pdz n SER 65 N 6.17 3.91 0.04 3.54 7.64 -1.26 -2.20 113.62 131.45 3pdz n SER 65 Ca -0.06 0.99 0.12 0.00 1.01 0.00 0.00 58.87 60.93 3pdz n SER 65 Cb 0.46 -1.51 0.08 0.00 -1.01 0.00 0.00 64.21 62.22 3pdz n SER 65 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 3pdz n LEU 66 N 5.73 0.64 -4.45 -3.43 0.00 0.32 -4.90 117.00 110.90 3pdz n LEU 66 Ca 0.19 0.06 -0.46 0.00 0.00 0.00 0.00 56.01 55.80 3pdz n LEU 66 Cb 0.36 -0.13 -0.11 0.00 0.00 0.00 0.00 43.42 43.54 3pdz n LEU 66 CO 0.67 0.01 2.02 -0.62 0.00 0.00 0.00 177.39 179.47 3pdz n GLU 67 N -2.00 0.36 0.00 1.96 -0.58 -1.26 -3.23 120.64 115.90 3pdz n GLU 67 Ca 0.02 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.82 3pdz n GLU 67 Cb 0.43 -1.99 0.00 0.00 -0.57 0.00 0.00 31.44 29.31 3pdz n GLU 67 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3pdz n GLY 68 N 6.63 0.69 3.63 0.62 0.00 -1.24 -4.99 105.19 110.53 3pdz n GLY 68 Ca 0.55 -0.78 -0.02 0.00 0.00 0.00 0.00 46.02 45.77 3pdz n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3pdz s ALA 69 N -1.11 -2.06 0.36 4.61 0.00 -0.85 -5.00 121.76 117.71 3pdz s ALA 69 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.78 3pdz s ALA 69 Cb 0.00 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.43 3pdz s ALA 69 CO 0.00 -0.92 0.05 0.25 0.00 0.00 0.00 175.76 175.14 3pdz n THR 70 N -0.37 0.00 0.36 0.00 -2.24 -1.26 -4.02 114.28 106.74 3pdz n THR 70 Ca -0.06 -0.08 -0.16 0.00 -2.27 0.00 0.00 64.05 61.48 3pdz n THR 70 Cb 0.61 -1.31 -0.08 0.00 -2.10 0.00 0.00 70.33 67.45 3pdz n THR 70 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 3pdz h HIS 71 N -0.35 -0.85 -0.88 4.78 2.76 -1.67 -2.57 115.15 116.37 3pdz h HIS 71 Ca -0.02 -0.02 0.18 0.00 -2.20 0.00 0.00 60.37 58.31 3pdz h HIS 71 Cb 0.06 0.28 -0.07 0.00 1.55 0.00 0.00 27.41 29.24 3pdz h HIS 71 CO 0.00 -0.50 0.57 -0.22 -1.30 0.00 0.00 177.93 176.49 3pdz h LYS 72 N -1.12 0.47 -0.34 5.26 3.64 -1.95 0.27 116.57 122.80 3pdz h LYS 72 Ca -0.09 -0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.27 3pdz h LYS 72 Cb 0.74 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.43 3pdz h LYS 72 CO 0.15 0.31 0.20 1.96 -2.27 0.00 0.00 179.45 179.81 3pdz h GLN 73 N 0.48 0.40 -0.13 1.90 4.20 -1.90 -1.32 115.11 118.76 3pdz h GLN 73 Ca 0.45 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 59.11 3pdz h GLN 73 Cb 1.00 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.69 3pdz h GLN 73 CO -0.18 0.26 -0.02 0.00 -0.67 0.00 0.00 178.83 178.23 3pdz h ALA 74 N 1.15 0.17 -0.98 3.87 0.00 -0.50 -2.55 119.26 120.42 3pdz h ALA 74 Ca 0.13 -0.21 0.34 0.00 0.00 0.00 0.00 54.91 55.18 3pdz h ALA 74 Cb -0.00 -0.05 -0.17 0.00 0.00 0.00 0.00 17.79 17.57 3pdz h ALA 74 CO -0.06 -0.11 0.39 -0.24 0.00 0.00 0.00 179.25 179.24 3pdz h VAL 75 N -0.06 0.11 -0.33 0.00 3.04 -0.18 1.41 116.25 120.25 3pdz h VAL 75 Ca 0.03 -0.03 -0.07 0.00 -1.01 0.00 0.00 66.70 65.62 3pdz h VAL 75 Cb 0.41 0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.68 3pdz h VAL 75 CO 0.01 0.02 -0.07 -0.33 -1.01 0.00 0.00 177.57 176.18 3pdz h GLU 76 N 0.10 0.62 0.50 4.17 5.08 -0.94 -1.65 114.58 122.46 3pdz h GLU 76 Ca 0.73 -0.24 -0.02 0.00 -1.00 0.00 0.00 59.36 58.83 3pdz h GLU 76 Cb 1.76 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.98 3pdz h GLU 76 CO -0.76 0.80 -0.24 1.79 -1.00 0.00 0.00 179.01 179.60 3pdz h THR 77 N 0.40 0.43 -0.64 1.13 1.35 0.21 1.28 112.91 117.08 3pdz h THR 77 Ca 0.08 -0.33 0.10 0.00 -0.55 0.00 0.00 66.41 65.72 3pdz h THR 77 Cb 0.57 0.56 -0.08 0.00 -1.73 0.00 0.00 68.15 67.47 3pdz h THR 77 CO 0.03 0.05 0.24 -0.07 -0.25 0.00 0.00 175.52 175.52 3pdz h LEU 78 N -0.90 0.22 0.49 3.87 3.38 -0.64 -2.70 115.31 119.04 3pdz h LEU 78 Ca -0.07 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3pdz h LEU 78 Cb 0.60 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3pdz h LEU 78 CO 0.11 0.12 -0.24 -0.09 0.09 0.00 0.00 178.44 178.44 3pdz h ARG 79 N 0.41 -0.64 -3.54 1.13 1.12 -1.25 -3.32 114.38 108.29 3pdz h ARG 79 Ca 0.33 0.04 -0.18 0.00 -1.11 0.00 0.00 59.98 59.06 3pdz h ARG 79 Cb 0.43 0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.54 3pdz h ARG 79 CO -0.33 -0.36 1.63 0.09 -3.11 0.00 0.00 179.97 177.90 3pdz n ASN 80 N -5.23 2.54 0.00 -3.80 3.02 0.44 -4.35 115.26 107.87 3pdz n ASN 80 Ca -0.10 -2.12 0.00 0.00 -0.03 0.00 0.00 54.58 52.33 3pdz n ASN 80 Cb 0.30 -0.77 0.00 0.00 -0.61 0.00 0.00 39.78 38.70 3pdz n ASN 80 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3pdz n THR 81 N 4.31 0.00 0.00 3.41 -2.24 -1.23 -4.82 114.28 113.71 3pdz n THR 81 Ca 0.23 0.36 0.00 0.00 -2.27 0.00 0.00 64.05 62.37 3pdz n THR 81 Cb 0.10 -1.30 0.00 0.00 -2.10 0.00 0.00 70.33 67.03 3pdz n THR 81 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3pdz n GLY 82 N 1.86 1.44 0.00 3.38 0.00 -1.26 -4.91 105.19 105.70 3pdz n GLY 82 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 3pdz n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3pdz n GLN 83 N 0.00 0.00 -4.20 1.61 10.64 -1.26 -3.92 117.38 120.24 3pdz n GLN 83 Ca 0.00 0.00 -0.23 0.00 -1.83 0.00 0.00 57.00 54.94 3pdz n GLN 83 Cb 0.00 -0.65 -0.06 0.00 -0.86 0.00 0.00 30.24 28.67 3pdz n GLN 83 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 3pdz s VAL 84 N -0.41 3.92 -1.12 -0.39 1.01 -1.26 0.73 120.40 122.88 3pdz s VAL 84 Ca 0.00 -1.61 -0.10 0.00 0.00 0.00 0.00 61.98 60.27 3pdz s VAL 84 Cb 0.00 -3.08 0.26 0.00 0.00 0.00 0.00 36.38 33.55 3pdz s VAL 84 CO 0.00 -0.31 1.16 -0.69 0.00 0.00 0.00 175.10 175.25 3pdz s VAL 85 N -2.14 5.81 -0.92 2.92 1.01 0.43 -4.52 120.40 122.99 3pdz s VAL 85 Ca 0.31 -3.24 -0.13 0.00 0.00 0.00 0.00 61.98 58.93 3pdz s VAL 85 Cb -0.08 -4.66 0.24 0.00 0.00 0.00 0.00 36.38 31.88 3pdz s VAL 85 CO 0.22 -1.26 0.89 -2.28 0.00 0.00 0.00 175.10 172.66 3pdz s HIS 86 N -0.67 3.91 -0.25 5.22 5.04 -1.25 0.04 115.29 127.33 3pdz s HIS 86 Ca 0.32 -2.20 -0.09 0.00 -1.54 0.00 0.00 55.06 51.56 3pdz s HIS 86 Cb -0.09 -3.84 -0.04 0.00 0.04 0.00 0.00 32.58 28.66 3pdz s HIS 86 CO -0.07 -0.99 0.11 -0.51 -2.34 0.00 0.00 174.74 170.94 3pdz s LEU 87 N -0.22 3.67 -0.55 8.88 1.43 0.87 -0.29 118.68 132.47 3pdz s LEU 87 Ca 0.22 -0.11 -0.17 0.00 -1.03 0.00 0.00 54.13 53.04 3pdz s LEU 87 Cb -0.10 -1.99 0.10 0.00 0.03 0.00 0.00 46.19 44.23 3pdz s LEU 87 CO -0.09 -0.01 0.59 -0.76 0.23 0.00 0.00 176.35 176.30 3pdz s LEU 88 N 1.51 5.66 0.00 1.79 1.02 -0.97 0.24 118.68 127.93 3pdz s LEU 88 Ca 0.06 -1.49 0.00 0.00 0.02 0.00 0.00 54.13 52.72 3pdz s LEU 88 Cb -0.15 -2.27 0.00 0.00 0.02 0.00 0.00 46.19 43.79 3pdz s LEU 88 CO 0.06 -0.94 0.00 0.18 0.02 0.00 0.00 176.35 175.66 3pdz n LEU 89 N 5.79 0.00 -3.82 1.79 4.77 0.40 -1.96 117.00 123.97 3pdz n LEU 89 Ca -0.11 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.74 3pdz n LEU 89 Cb 0.42 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.37 3pdz n LEU 89 CO 0.55 -0.08 -0.28 -0.70 -1.33 0.00 0.00 177.39 175.55 3pdz s GLU 90 N 1.49 0.07 -0.62 3.23 2.12 0.21 -1.82 118.70 123.39 3pdz s GLU 90 Ca 0.00 0.16 -0.34 0.00 0.36 0.00 0.00 54.97 55.15 3pdz s GLU 90 Cb 0.00 -0.04 -0.16 0.00 0.26 0.00 0.00 34.13 34.20 3pdz s GLU 90 CO 0.00 -0.06 2.39 1.17 -0.54 0.00 0.00 175.26 178.22 3pdz n LYS 91 N 3.40 0.50 0.00 4.30 3.00 -0.59 -2.46 118.16 126.32 3pdz n LYS 91 Ca -0.17 0.09 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 3pdz n LYS 91 Cb 0.57 -2.12 0.00 0.00 0.00 0.00 0.00 35.03 33.48 3pdz n LYS 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3pdz n GLY 92 N 6.63 -2.17 3.66 3.14 0.00 -1.26 -4.49 105.19 110.70 3pdz n GLY 92 Ca 0.51 -1.41 -0.43 0.00 0.00 0.00 0.00 46.02 44.69 3pdz n GLY 92 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3pdz s GLN 93 N -0.63 4.24 0.19 1.61 0.74 -1.26 -4.82 119.66 119.73 3pdz s GLN 93 Ca 0.00 1.60 -0.16 0.00 0.05 0.00 0.00 55.36 56.85 3pdz s GLN 93 Cb 0.00 -3.73 -0.08 0.00 1.10 0.00 0.00 33.01 30.30 3pdz s GLN 93 CO 0.00 -0.68 0.62 -1.12 -0.55 0.00 0.00 175.29 173.56 3pdz s SER 94 N 1.81 6.89 0.89 6.67 0.01 -1.26 -4.89 113.70 123.81 3pdz s SER 94 Ca 0.53 1.20 -0.08 0.00 1.31 0.00 0.00 55.95 58.90 3pdz s SER 94 Cb -0.20 -2.34 0.13 0.00 0.21 0.00 0.00 66.02 63.82 3pdz s SER 94 CO 0.13 0.04 0.30 -2.65 0.41 0.00 0.00 173.24 171.47 3pdz n PRO 95 N 0.63 -1.46 0.00 12.44 -0.02 -1.26 -5.17 135.00 140.16 3pdz n PRO 95 Ca -0.03 -0.50 0.14 0.00 -2.02 0.00 0.00 63.50 61.09 3pdz n PRO 95 Cb 0.52 -0.87 0.60 0.00 -0.02 0.00 0.00 33.50 33.73 3pdz n PRO 95 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73