#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 0.10 0.00 0.54 2.47 -1.26 -5.07 119.74 116.52 3pdz s LYS 2 Ca 0.00 0.58 0.00 0.00 -1.56 0.00 0.00 55.97 54.99 3pdz s LYS 2 Cb 0.00 -0.33 0.00 0.00 -1.46 0.00 0.00 37.83 36.04 3pdz s LYS 2 CO 0.00 -0.36 0.15 -0.35 0.16 0.00 0.00 175.35 174.96 3pdz n PRO 3 N 5.33 0.00 0.00 4.03 -0.04 -1.26 -4.91 135.00 138.16 3pdz n PRO 3 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 3pdz n PRO 3 Cb 0.50 -0.59 0.00 0.00 -0.04 0.00 0.00 33.50 33.36 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 0.38 2.82 3.60 0.55 0.00 -1.26 -5.03 105.19 106.25 3pdz n GLY 4 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3pdz n GLY 4 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3pdz s ASP 5 N 0.64 2.14 0.01 1.61 2.15 -1.26 -4.73 116.67 117.23 3pdz s ASP 5 Ca 0.00 1.79 0.00 0.00 0.43 0.00 0.00 52.55 54.77 3pdz s ASP 5 Cb 0.00 -2.40 -0.04 0.00 -0.30 0.00 0.00 42.92 40.19 3pdz s ASP 5 CO 0.00 -3.52 0.09 -0.63 -0.17 0.00 0.00 175.17 170.94 3pdz s ILE 6 N -2.61 4.73 0.13 4.11 1.09 -1.26 -2.26 121.20 125.13 3pdz s ILE 6 Ca 0.67 -0.46 -0.02 0.00 -1.10 0.00 0.00 60.65 59.74 3pdz s ILE 6 Cb -0.23 -3.19 -0.04 0.00 -1.06 0.00 0.00 42.46 37.95 3pdz s ILE 6 CO 0.61 0.31 0.09 0.72 -0.10 0.00 0.00 174.94 176.56 3pdz s PHE 7 N -1.24 0.79 0.03 3.97 -0.12 -0.60 -4.89 117.98 115.92 3pdz s PHE 7 Ca 0.24 -1.17 0.05 0.00 -0.05 0.00 0.00 56.93 56.00 3pdz s PHE 7 Cb -0.12 -0.42 -0.02 0.00 -0.63 0.00 0.00 43.02 41.83 3pdz s PHE 7 CO 0.16 -0.54 -0.14 -1.83 -0.05 0.00 0.00 175.22 172.82 3pdz s GLU 8 N -4.03 0.96 -0.35 1.99 -1.05 -1.26 0.17 118.70 115.13 3pdz s GLU 8 Ca 0.23 -0.68 -0.12 0.00 -0.15 0.00 0.00 54.97 54.25 3pdz s GLU 8 Cb 0.07 -0.95 -0.01 0.00 -0.44 0.00 0.00 34.13 32.80 3pdz s GLU 8 CO 0.01 0.24 0.23 0.54 0.95 0.00 0.00 175.26 177.23 3pdz s VAL 9 N -0.71 5.07 -0.95 1.83 0.11 0.62 -4.92 120.40 121.45 3pdz s VAL 9 Ca 0.02 -0.39 -0.01 0.00 -2.93 0.00 0.00 61.98 58.67 3pdz s VAL 9 Cb -0.07 -3.65 0.29 0.00 -1.53 0.00 0.00 36.38 31.41 3pdz s VAL 9 CO 0.01 -0.06 1.23 1.21 -3.33 0.00 0.00 175.10 174.16 3pdz n GLU 10 N 5.08 3.81 -2.55 1.54 2.13 -1.22 -0.35 120.64 129.08 3pdz n GLU 10 Ca -0.13 -4.58 -0.25 0.00 0.66 0.00 0.00 57.16 52.86 3pdz n GLU 10 Cb 0.49 -2.44 0.03 0.00 0.27 0.00 0.00 31.44 29.79 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 -2.57 3.33 -0.78 4.31 2.96 0.12 -4.86 118.68 121.19 3pdz s LEU 11 Ca 0.33 0.57 -0.17 0.00 -0.22 0.00 0.00 54.13 54.64 3pdz s LEU 11 Cb 0.06 -3.41 0.16 0.00 0.50 0.00 0.00 46.19 43.50 3pdz s LEU 11 CO 0.05 -0.99 0.85 0.00 -1.32 0.00 0.00 176.35 174.94 3pdz s ALA 12 N -2.88 3.66 0.52 5.97 0.00 -1.26 0.17 121.76 127.94 3pdz s ALA 12 Ca 0.53 -2.81 0.24 0.00 0.00 0.00 0.00 51.96 49.92 3pdz s ALA 12 Cb -0.10 -3.67 1.35 0.00 0.00 0.00 0.00 23.12 20.70 3pdz s ALA 12 CO 0.43 -2.50 1.98 -0.22 0.00 0.00 0.00 175.76 175.44 3pdz h LYS 13 N 8.55 0.06 -6.41 0.00 3.11 -1.69 -3.35 116.57 116.84 3pdz h LYS 13 Ca -0.01 -0.00 -0.54 0.00 -2.81 0.00 0.00 60.65 57.29 3pdz h LYS 13 Cb 1.05 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 32.23 3pdz h LYS 13 CO 0.97 0.04 0.16 1.21 -2.81 0.00 0.00 179.45 179.02 3pdz s ASN 14 N -6.13 7.30 0.00 4.20 2.47 0.11 -3.67 114.94 119.22 3pdz s ASN 14 Ca -0.05 1.54 0.00 0.00 0.42 0.00 0.00 52.86 54.77 3pdz s ASN 14 Cb 0.20 -2.48 0.00 0.00 -1.45 0.00 0.00 41.25 37.52 3pdz s ASN 14 CO 0.74 0.13 0.00 -0.67 -3.72 0.00 0.00 177.10 173.58 3pdz n ASP 15 N 2.14 0.00 -3.64 -4.21 -0.08 -1.26 -4.93 116.55 104.57 3pdz n ASP 15 Ca -0.04 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.15 3pdz n ASP 15 Cb 0.49 0.00 -0.07 0.00 2.34 0.00 0.00 41.12 43.89 3pdz n ASP 15 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3pdz s ASN 16 N -0.37 -0.60 0.00 1.67 4.22 -1.24 -5.16 114.94 113.45 3pdz s ASN 16 Ca 0.00 1.08 0.00 0.00 -2.14 0.00 0.00 52.86 51.80 3pdz s ASN 16 Cb 0.00 1.16 0.00 0.00 1.28 0.00 0.00 41.25 43.69 3pdz s ASN 16 CO 0.00 -0.18 0.00 -1.20 -2.04 0.00 0.00 177.10 173.68 3pdz n SER 17 N 2.99 0.00 -2.63 3.54 7.64 -1.26 -4.21 113.62 119.69 3pdz n SER 17 Ca -0.15 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.68 3pdz n SER 17 Cb 0.57 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.77 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 -2.65 -3.43 4.32 -1.26 -3.18 117.00 110.79 3pdz n LEU 18 Ca 0.00 -0.58 -0.04 0.00 -0.02 0.00 0.00 56.01 55.36 3pdz n LEU 18 Cb 0.00 -0.05 0.12 0.00 -1.62 0.00 0.00 43.42 41.87 3pdz n LEU 18 CO 0.00 -0.44 0.57 0.61 -1.22 0.00 0.00 177.39 176.91 3pdz n GLY 19 N 3.51 1.55 3.51 -0.72 0.00 -1.26 -3.81 105.19 107.96 3pdz n GLY 19 Ca 0.02 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 0.16 3.30 -0.52 -0.61 2.07 -1.26 -1.21 121.20 123.12 3pdz s ILE 20 Ca 0.15 -0.63 -0.19 0.00 -1.41 0.00 0.00 60.65 58.57 3pdz s ILE 20 Cb 0.40 -2.32 0.07 0.00 0.13 0.00 0.00 42.46 40.75 3pdz s ILE 20 CO -0.10 0.59 0.62 -0.55 -1.91 0.00 0.00 174.94 173.59 3pdz s SER 21 N -0.73 6.21 0.25 4.50 0.15 -1.10 -4.89 113.70 118.09 3pdz s SER 21 Ca 0.11 -1.09 -0.04 0.00 0.70 0.00 0.00 55.95 55.63 3pdz s SER 21 Cb -0.11 -2.28 -0.05 0.00 -1.71 0.00 0.00 66.02 61.87 3pdz s SER 21 CO 0.01 -0.92 0.49 0.68 1.20 0.00 0.00 173.24 174.70 3pdz s VAL 22 N 2.54 5.08 0.36 4.45 -7.23 -1.26 -1.33 120.40 123.00 3pdz s VAL 22 Ca 0.13 -0.04 -0.03 0.00 -1.81 0.00 0.00 61.98 60.24 3pdz s VAL 22 Cb -0.21 -3.72 0.01 0.00 0.56 0.00 0.00 36.38 33.03 3pdz s VAL 22 CO 0.10 -0.23 0.51 0.41 -0.31 0.00 0.00 175.10 175.58 3pdz n THR 23 N -0.71 0.00 0.00 5.32 -1.04 -1.21 -4.72 114.28 111.91 3pdz n THR 23 Ca -0.02 -1.74 0.00 0.00 -2.04 0.00 0.00 64.05 60.25 3pdz n THR 23 Cb 0.54 1.09 0.00 0.00 -1.82 0.00 0.00 70.33 70.14 3pdz n THR 23 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3pdz n GLY 24 N -0.58 2.28 5.00 3.41 0.00 -1.26 -3.19 105.19 110.85 3pdz n GLY 24 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.61 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 1.42 -0.02 0.00 -1.22 -2.31 105.19 103.69 3pdz n GLY 25 Ca 0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 0.73 -1.07 1.61 0.24 -1.26 -3.95 118.33 114.64 3pdz n VAL 26 Ca 0.00 -0.18 -0.32 0.00 -2.04 0.00 0.00 64.34 61.80 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 0.81 7.11 0.12 -1.34 3.02 -1.25 -3.59 115.26 120.14 3pdz n ASN 27 Ca 0.08 -2.47 0.00 0.00 -0.03 0.00 0.00 54.58 52.16 3pdz n ASN 27 Cb 0.10 -1.36 0.00 0.00 -0.61 0.00 0.00 39.78 37.90 3pdz n ASN 27 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3pdz n THR 28 N 3.86 0.00 0.00 3.41 -1.04 -1.26 -4.94 114.28 114.30 3pdz n THR 28 Ca 0.64 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 62.48 3pdz n THR 28 Cb 0.19 -0.21 -0.13 0.00 -1.82 0.00 0.00 70.33 68.36 3pdz n THR 28 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3pdz h SER 29 N 0.00 0.33 -2.28 8.00 0.02 -1.91 -3.47 113.55 114.25 3pdz h SER 29 Ca 0.00 -0.88 -0.15 0.00 -0.84 0.00 0.00 61.79 59.92 3pdz h SER 29 Cb 0.00 -0.11 0.07 0.00 0.14 0.00 0.00 62.40 62.51 3pdz h SER 29 CO 0.00 1.18 0.06 1.33 -1.14 0.00 0.00 176.83 178.26 3pdz n VAL 30 N -4.33 0.00 0.18 2.27 0.24 -1.24 -4.96 118.33 110.50 3pdz n VAL 30 Ca -0.11 -0.21 -0.14 0.00 -2.04 0.00 0.00 64.34 61.83 3pdz n VAL 30 Cb 0.65 -1.19 -0.07 0.00 -1.47 0.00 0.00 33.84 31.76 3pdz n VAL 30 CO 0.00 0.00 0.00 0.03 -2.14 0.00 0.00 176.83 174.72 3pdz h ARG 31 N 0.00 -0.53 0.00 7.34 3.08 -1.90 -3.45 114.38 118.93 3pdz h ARG 31 Ca -0.16 0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3pdz h ARG 31 Cb 0.47 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.64 3pdz h ARG 31 CO 0.10 -0.35 0.00 -2.39 -1.07 0.00 0.00 179.97 176.26 3pdz n HIS 32 N -5.37 -0.69 -1.61 3.04 1.44 -1.26 -4.94 115.22 105.83 3pdz n HIS 32 Ca -0.09 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.61 3pdz n HIS 32 Cb 0.28 0.23 -0.01 0.00 0.12 0.00 0.00 29.99 30.61 3pdz n HIS 32 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3pdz n GLY 33 N -0.27 0.34 3.91 -1.39 0.00 -1.26 -3.90 105.19 102.61 3pdz n GLY 33 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.19 1.90 0.18 -0.02 0.00 -1.25 -1.77 107.32 106.17 3pdz s GLY 34 Ca 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 44.72 44.08 3pdz s GLY 34 CO 0.00 -0.54 0.38 -1.50 0.00 0.00 0.00 173.10 171.44 3pdz s ILE 35 N -1.96 5.21 -0.22 0.90 2.07 -1.25 -3.40 121.20 122.55 3pdz s ILE 35 Ca 0.42 -0.28 -0.03 0.00 -1.41 0.00 0.00 60.65 59.35 3pdz s ILE 35 Cb -0.11 -3.70 0.07 0.00 0.13 0.00 0.00 42.46 38.85 3pdz s ILE 35 CO 0.29 -0.11 0.07 -0.31 -1.91 0.00 0.00 174.94 172.96 3pdz s TYR 36 N -1.81 0.92 0.59 3.50 1.51 -1.19 -2.46 117.35 118.41 3pdz s TYR 36 Ca 0.39 -0.93 -0.19 0.00 -1.01 0.00 0.00 57.07 55.33 3pdz s TYR 36 Cb -0.11 -1.07 -0.05 0.00 -0.11 0.00 0.00 41.96 40.61 3pdz s TYR 36 CO 0.28 -0.67 0.97 1.33 -1.11 0.00 0.00 175.55 176.35 3pdz n VAL 37 N 5.08 3.64 -0.07 0.71 0.24 -1.19 -3.32 118.33 123.42 3pdz n VAL 37 Ca -0.07 -0.50 -0.13 0.00 -2.04 0.00 0.00 64.34 61.59 3pdz n VAL 37 Cb 0.46 -1.15 -0.12 0.00 -1.47 0.00 0.00 33.84 31.55 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 0.53 0.00 -1.97 7.34 2.10 -1.49 1.78 116.57 124.86 3pdz h LYS 38 Ca -0.48 0.00 0.26 0.00 -2.00 0.00 0.00 60.65 58.43 3pdz h LYS 38 Cb 1.36 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 32.61 3pdz h LYS 38 CO 0.51 0.95 0.72 0.00 -2.00 0.00 0.00 179.45 179.63 3pdz s ALA 39 N -2.24 -2.02 -0.38 0.07 0.00 -1.13 -4.31 121.76 111.75 3pdz s ALA 39 Ca -0.18 0.26 -0.16 0.00 0.00 0.00 0.00 51.96 51.87 3pdz s ALA 39 Cb -0.03 0.59 0.00 0.00 0.00 0.00 0.00 23.12 23.69 3pdz s ALA 39 CO 0.66 -1.07 0.41 0.14 0.00 0.00 0.00 175.76 175.89 3pdz s VAL 40 N -2.51 5.12 -0.25 0.00 -7.23 -1.26 -2.70 120.40 111.57 3pdz s VAL 40 Ca 0.18 -0.12 -0.29 0.00 -1.81 0.00 0.00 61.98 59.93 3pdz s VAL 40 Cb 0.01 -3.93 0.00 0.00 0.56 0.00 0.00 36.38 33.02 3pdz s VAL 40 CO -0.00 -0.26 1.16 -0.63 -0.31 0.00 0.00 175.10 175.06 3pdz s ILE 41 N 2.09 4.43 -0.39 -0.62 1.09 -0.35 -4.89 121.20 122.55 3pdz s ILE 41 Ca 0.12 1.68 -0.07 0.00 -1.10 0.00 0.00 60.65 61.29 3pdz s ILE 41 Cb -0.17 -4.23 -0.06 0.00 -1.06 0.00 0.00 42.46 36.94 3pdz s ILE 41 CO 0.13 -0.31 1.53 -0.81 -0.10 0.00 0.00 174.94 175.37 3pdz n PRO 42 N 6.74 0.87 0.00 2.79 -0.04 -1.26 -3.07 135.00 141.03 3pdz n PRO 42 Ca 0.13 -0.99 0.00 0.00 -0.04 0.00 0.00 63.50 62.60 3pdz n PRO 42 Cb 0.46 -2.28 0.00 0.00 -0.04 0.00 0.00 33.50 31.64 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 5.13 0.00 -2.44 0.54 1.13 -1.26 -5.06 117.38 115.43 3pdz n GLN 43 Ca 0.24 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 55.05 3pdz n GLN 43 Cb 0.12 -0.08 0.04 0.00 0.11 0.00 0.00 30.24 30.43 3pdz n GLN 43 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3pdz s GLY 44 N -2.75 1.65 0.26 1.08 0.00 -1.17 -4.94 107.32 101.44 3pdz s GLY 44 Ca 0.00 -0.88 0.15 0.00 0.00 0.00 0.00 44.72 43.99 3pdz s GLY 44 CO 0.00 -0.58 1.41 0.00 0.00 0.00 0.00 173.10 173.93 3pdz n ALA 45 N -2.59 0.88 0.13 3.20 0.00 -1.19 -2.39 120.51 118.54 3pdz n ALA 45 Ca 0.06 0.14 -0.10 0.00 0.00 0.00 0.00 53.44 53.54 3pdz n ALA 45 Cb 0.59 -1.07 -0.06 0.00 0.00 0.00 0.00 19.45 18.91 3pdz n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3pdz h ALA 46 N 1.69 -0.39 -0.75 0.00 0.00 -1.79 -2.64 119.26 115.38 3pdz h ALA 46 Ca 0.00 -0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.80 3pdz h ALA 46 Cb 0.21 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 3pdz h ALA 46 CO 0.00 -0.42 0.45 1.05 0.00 0.00 0.00 179.25 180.33 3pdz h GLU 47 N -0.99 0.81 0.00 0.00 -0.00 -1.64 1.17 114.58 113.92 3pdz h GLU 47 Ca -0.04 -0.05 0.00 0.00 -0.00 0.00 0.00 59.36 59.27 3pdz h GLU 47 Cb 0.47 -0.18 0.00 0.00 -0.00 0.00 0.00 28.75 29.04 3pdz h GLU 47 CO 0.07 0.54 0.00 0.45 -0.00 0.00 0.00 179.01 180.06 3pdz n SER 48 N -4.70 0.00 -0.35 3.06 2.88 -1.15 -2.68 113.62 110.69 3pdz n SER 48 Ca 0.10 0.93 -0.01 0.00 -1.33 0.00 0.00 58.87 58.56 3pdz n SER 48 Cb 0.16 -0.43 0.13 0.00 -0.75 0.00 0.00 64.21 63.32 3pdz n SER 48 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 3pdz h ASP 49 N 0.00 1.01 -1.43 -3.46 5.19 -1.44 -3.47 116.42 112.82 3pdz h ASP 49 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 3pdz h ASP 49 Cb 0.00 -0.23 0.00 0.00 0.18 0.00 0.00 39.33 39.28 3pdz h ASP 49 CO 0.00 0.69 0.00 0.61 -3.12 0.00 0.00 179.24 177.42 3pdz n GLY 50 N -1.35 0.70 0.07 2.75 0.00 0.40 -5.01 105.19 102.75 3pdz n GLY 50 Ca 0.12 -0.55 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.02 -7.41 1.61 9.65 -1.85 -3.47 114.38 112.90 3pdz h ARG 51 Ca 0.00 0.00 -0.49 0.00 -1.10 0.00 0.00 59.98 58.39 3pdz h ARG 51 Cb 0.95 0.00 0.07 0.00 -1.39 0.00 0.00 29.97 29.61 3pdz h ARG 51 CO 0.00 0.54 0.37 -1.50 2.80 0.00 0.00 179.97 182.18 3pdz s ILE 52 N -2.05 3.59 0.06 1.20 1.10 -1.26 -4.81 121.20 119.03 3pdz s ILE 52 Ca -0.11 0.42 -0.09 0.00 -0.51 0.00 0.00 60.65 60.37 3pdz s ILE 52 Cb -0.02 -3.50 -0.00 0.00 0.15 0.00 0.00 42.46 39.10 3pdz s ILE 52 CO 0.40 -0.63 0.18 -1.00 -2.11 0.00 0.00 174.94 171.77 3pdz s HIS 53 N -3.29 0.12 0.11 3.50 3.76 -1.26 -4.94 115.29 113.30 3pdz s HIS 53 Ca 0.57 -0.45 -0.35 0.00 -0.15 0.00 0.00 55.06 54.69 3pdz s HIS 53 Cb -0.11 -0.06 -0.17 0.00 1.11 0.00 0.00 32.58 33.34 3pdz s HIS 53 CO 0.51 -0.47 1.04 1.17 -0.85 0.00 0.00 174.74 176.13 3pdz n LYS 54 N 0.36 0.57 -2.66 1.40 4.81 -1.26 -0.97 118.16 120.42 3pdz n LYS 54 Ca -0.17 0.20 -0.13 0.00 -0.87 0.00 0.00 58.31 57.34 3pdz n LYS 54 Cb 0.60 -1.63 -0.00 0.00 0.02 0.00 0.00 35.03 34.02 3pdz n LYS 54 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3pdz n GLY 55 N 1.90 -0.50 3.71 3.14 0.00 0.61 -4.73 105.19 109.32 3pdz n GLY 55 Ca 0.18 0.02 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.19 6.65 -1.06 1.61 1.01 -0.14 -4.24 116.67 118.32 3pdz s ASP 56 Ca 0.09 2.52 -0.22 0.00 0.71 0.00 0.00 52.55 55.65 3pdz s ASP 56 Cb -0.05 -2.59 0.06 0.00 1.01 0.00 0.00 42.92 41.35 3pdz s ASP 56 CO 0.11 -0.79 1.47 -0.13 0.21 0.00 0.00 175.17 176.05 3pdz s ARG 57 N 1.34 3.66 -0.42 8.23 0.52 -0.91 -3.19 118.95 128.18 3pdz s ARG 57 Ca 0.69 -1.32 -0.29 0.00 -0.52 0.00 0.00 55.73 54.29 3pdz s ARG 57 Cb -0.41 -5.36 0.02 0.00 0.52 0.00 0.00 34.95 29.73 3pdz s ARG 57 CO 0.31 -2.18 1.15 0.14 0.02 0.00 0.00 175.30 174.73 3pdz s VAL 58 N 4.67 4.26 -0.31 3.52 -7.23 -1.03 0.61 120.40 124.90 3pdz s VAL 58 Ca 0.46 1.35 0.13 0.00 -1.81 0.00 0.00 61.98 62.12 3pdz s VAL 58 Cb 0.00 -4.51 -0.18 0.00 0.56 0.00 0.00 36.38 32.26 3pdz s VAL 58 CO -0.07 -0.82 0.42 0.18 -0.31 0.00 0.00 175.10 174.50 3pdz n LEU 59 N 7.64 0.30 -3.76 1.32 4.77 -1.01 -3.76 117.00 122.49 3pdz n LEU 59 Ca 0.12 -0.24 -0.13 0.00 -0.03 0.00 0.00 56.01 55.74 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 0.68 0.07 0.02 0.00 -1.33 0.00 0.00 177.39 176.83 3pdz s ALA 60 N -2.62 -0.79 -0.29 -1.18 0.00 -0.16 0.16 121.76 116.89 3pdz s ALA 60 Ca -0.00 0.43 -0.04 0.00 0.00 0.00 0.00 51.96 52.35 3pdz s ALA 60 Cb 0.09 -0.03 0.10 0.00 0.00 0.00 0.00 23.12 23.28 3pdz s ALA 60 CO 0.56 -0.24 0.13 0.08 0.00 0.00 0.00 175.76 176.28 3pdz s VAL 61 N -1.07 0.04 -1.06 0.00 1.01 -0.91 -1.17 120.40 117.23 3pdz s VAL 61 Ca -0.11 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.02 3pdz s VAL 61 Cb -0.05 -1.06 0.00 0.00 0.00 0.00 0.00 36.38 35.27 3pdz s VAL 61 CO 0.04 -0.73 0.00 0.59 0.00 0.00 0.00 175.10 175.00 3pdz n ASN 62 N 5.19 -5.00 0.00 3.32 5.03 0.14 -1.81 115.26 122.13 3pdz n ASN 62 Ca -0.05 0.25 0.00 0.00 0.87 0.00 0.00 54.58 55.64 3pdz n ASN 62 Cb 0.42 -3.38 0.00 0.00 -1.02 0.00 0.00 39.78 35.80 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 -0.70 0.92 3.47 7.41 0.00 -1.26 -5.07 105.19 109.96 3pdz n GLY 63 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 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 4.88 0.27 1.61 0.11 -0.75 -5.03 120.40 119.50 3pdz s VAL 64 Ca 0.00 -0.29 -0.30 0.00 -2.93 0.00 0.00 61.98 58.46 3pdz s VAL 64 Cb 0.00 -4.24 -0.13 0.00 -1.53 0.00 0.00 36.38 30.49 3pdz s VAL 64 CO 0.00 -0.70 1.46 -1.20 -3.33 0.00 0.00 175.10 171.33 3pdz n SER 65 N 6.14 3.14 0.01 3.54 7.64 -1.26 -2.14 113.62 130.69 3pdz n SER 65 Ca -0.05 1.15 0.08 0.00 1.01 0.00 0.00 58.87 61.07 3pdz n SER 65 Cb 0.46 -1.49 -0.13 0.00 -1.01 0.00 0.00 64.21 62.04 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 1.96 0.24 -4.52 -3.43 -0.00 0.43 -4.90 117.00 106.79 3pdz n LEU 66 Ca 0.10 0.10 -0.37 0.00 -0.00 0.00 0.00 56.01 55.84 3pdz n LEU 66 Cb 0.34 0.04 -0.12 0.00 -0.00 0.00 0.00 43.42 43.68 3pdz n LEU 66 CO 0.63 0.02 2.12 -0.62 -0.00 0.00 0.00 177.39 179.53 3pdz n GLU 67 N -2.44 0.33 0.00 1.96 4.71 -1.26 -2.81 120.64 121.12 3pdz n GLU 67 Ca -0.06 -0.04 0.00 0.00 -0.01 0.00 0.00 57.16 57.05 3pdz n GLU 67 Cb 0.64 -2.13 0.00 0.00 -1.01 0.00 0.00 31.44 28.95 3pdz n GLU 67 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3pdz n GLY 68 N 6.29 0.69 3.63 0.62 0.00 -1.18 -4.98 105.19 110.25 3pdz n GLY 68 Ca 0.57 -0.79 -0.06 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.12 -2.07 1.06 4.61 0.00 -0.73 -5.00 121.76 118.52 3pdz s ALA 69 Ca 0.00 1.76 -0.06 0.00 0.00 0.00 0.00 51.96 53.66 3pdz s ALA 69 Cb 0.00 -1.43 0.09 0.00 0.00 0.00 0.00 23.12 21.78 3pdz s ALA 69 CO 0.00 -0.21 0.38 0.25 0.00 0.00 0.00 175.76 176.18 3pdz n THR 70 N 1.51 0.00 0.47 0.00 -2.24 -1.26 -4.11 114.28 108.65 3pdz n THR 70 Ca -0.10 -0.20 -0.19 0.00 -2.27 0.00 0.00 64.05 61.29 3pdz n THR 70 Cb 0.57 -1.31 -0.09 0.00 -2.10 0.00 0.00 70.33 67.40 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 -1.70 -1.11 -0.84 4.78 2.76 -1.63 -2.40 115.15 115.01 3pdz h HIS 71 Ca -0.13 -0.03 0.19 0.00 -2.20 0.00 0.00 60.37 58.20 3pdz h HIS 71 Cb 0.40 0.37 -0.05 0.00 1.55 0.00 0.00 27.41 29.67 3pdz h HIS 71 CO 0.00 -0.69 0.56 -0.22 -1.30 0.00 0.00 177.93 176.29 3pdz h LYS 72 N -1.30 0.31 0.24 5.26 3.64 -1.94 0.40 116.57 123.19 3pdz h LYS 72 Ca -0.12 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.23 3pdz h LYS 72 Cb 0.92 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.67 3pdz h LYS 72 CO 0.20 0.21 -0.14 1.96 -2.27 0.00 0.00 179.45 179.41 3pdz h GLN 73 N 0.32 -0.34 -0.33 1.90 4.20 -1.83 -1.27 115.11 117.76 3pdz h GLN 73 Ca 0.42 0.02 -0.06 0.00 0.06 0.00 0.00 58.65 59.09 3pdz h GLN 73 Cb 1.15 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 3pdz h GLN 73 CO -0.13 -0.23 -0.04 0.00 -0.67 0.00 0.00 178.83 177.77 3pdz h ALA 74 N 0.40 0.45 -0.99 3.87 0.00 -0.64 -2.55 119.26 119.80 3pdz h ALA 74 Ca -0.03 -0.27 0.34 0.00 0.00 0.00 0.00 54.91 54.96 3pdz h ALA 74 Cb 0.29 -0.12 -0.16 0.00 0.00 0.00 0.00 17.79 17.80 3pdz h ALA 74 CO 0.03 0.25 0.50 -0.24 0.00 0.00 0.00 179.25 179.79 3pdz h VAL 75 N 0.40 0.19 -0.29 0.00 3.04 -0.02 1.55 116.25 121.12 3pdz h VAL 75 Ca 0.09 -0.07 -0.06 0.00 -1.01 0.00 0.00 66.70 65.65 3pdz h VAL 75 Cb 0.52 -0.02 -0.01 0.00 -2.01 0.00 0.00 31.29 29.77 3pdz h VAL 75 CO 0.03 0.03 -0.07 -0.33 -1.01 0.00 0.00 177.57 176.22 3pdz h GLU 76 N 0.19 0.56 0.37 4.17 5.08 -0.83 -1.45 114.58 122.66 3pdz h GLU 76 Ca 0.75 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.88 3pdz h GLU 76 Cb 1.79 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.01 3pdz h GLU 76 CO -0.68 0.76 -0.18 1.79 -1.00 0.00 0.00 179.01 179.70 3pdz h THR 77 N 0.32 0.64 -0.46 1.13 1.35 0.22 1.52 112.91 117.63 3pdz h THR 77 Ca 0.07 -0.36 0.08 0.00 -0.55 0.00 0.00 66.41 65.65 3pdz h THR 77 Cb 0.55 0.82 -0.07 0.00 -1.73 0.00 0.00 68.15 67.72 3pdz h THR 77 CO 0.03 0.07 0.07 -0.07 -0.25 0.00 0.00 175.52 175.36 3pdz h LEU 78 N -0.70 -0.05 0.56 3.87 3.38 -0.20 -2.92 115.31 119.25 3pdz h LEU 78 Ca -0.05 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 3pdz h LEU 78 Cb 0.49 0.14 0.01 0.00 0.09 0.00 0.00 40.66 41.38 3pdz h LEU 78 CO 0.08 0.00 -0.27 -0.09 0.09 0.00 0.00 178.44 178.26 3pdz h ARG 79 N 0.19 -0.73 -3.90 1.13 2.43 -1.21 -3.33 114.38 108.96 3pdz h ARG 79 Ca 0.23 0.05 -0.29 0.00 -0.81 0.00 0.00 59.98 59.16 3pdz h ARG 79 Cb 0.31 0.17 0.03 0.00 -0.42 0.00 0.00 29.97 30.06 3pdz h ARG 79 CO -0.33 -0.46 1.87 0.09 -1.51 0.00 0.00 179.97 179.63 3pdz n ASN 80 N -5.28 2.48 0.00 -3.80 4.13 0.52 -4.41 115.26 108.90 3pdz n ASN 80 Ca -0.10 -2.26 0.00 0.00 1.68 0.00 0.00 54.58 53.90 3pdz n ASN 80 Cb 0.31 -0.82 0.00 0.00 -1.54 0.00 0.00 39.78 37.73 3pdz n ASN 80 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3pdz n THR 81 N 4.95 0.00 0.00 3.41 -2.24 -1.23 -4.78 114.28 114.39 3pdz n THR 81 Ca 0.29 0.43 0.00 0.00 -2.27 0.00 0.00 64.05 62.50 3pdz n THR 81 Cb 0.14 -1.39 0.00 0.00 -2.10 0.00 0.00 70.33 66.98 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 1.78 1.35 0.00 3.38 0.00 -1.26 -4.87 105.19 105.57 3pdz n GLY 82 Ca 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -4.21 1.61 -0.00 -1.26 -4.04 117.38 109.47 3pdz n GLN 83 Ca 0.00 0.02 -0.24 0.00 -0.00 0.00 0.00 57.00 56.78 3pdz n GLN 83 Cb 0.00 -0.89 -0.07 0.00 -0.00 0.00 0.00 30.24 29.29 3pdz n GLN 83 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 3pdz s VAL 84 N -0.80 3.83 -1.07 -0.39 1.01 -1.26 0.10 120.40 121.82 3pdz s VAL 84 Ca 0.00 -1.61 -0.11 0.00 0.00 0.00 0.00 61.98 60.26 3pdz s VAL 84 Cb 0.00 -3.02 0.25 0.00 0.00 0.00 0.00 36.38 33.61 3pdz s VAL 84 CO 0.00 -0.28 1.10 -0.69 0.00 0.00 0.00 175.10 175.23 3pdz s VAL 85 N -2.08 5.73 -0.94 2.92 1.01 0.46 -4.52 120.40 122.98 3pdz s VAL 85 Ca 0.31 -3.06 -0.10 0.00 0.00 0.00 0.00 61.98 59.13 3pdz s VAL 85 Cb -0.08 -4.64 0.24 0.00 0.00 0.00 0.00 36.38 31.90 3pdz s VAL 85 CO 0.21 -1.24 0.89 -2.28 0.00 0.00 0.00 175.10 172.68 3pdz s HIS 86 N -0.40 3.97 -0.24 5.22 5.04 -1.25 0.12 115.29 127.75 3pdz s HIS 86 Ca 0.30 -2.44 -0.08 0.00 -1.54 0.00 0.00 55.06 51.30 3pdz s HIS 86 Cb -0.09 -3.73 -0.04 0.00 0.04 0.00 0.00 32.58 28.77 3pdz s HIS 86 CO -0.07 -0.94 0.10 -0.51 -2.34 0.00 0.00 174.74 170.98 3pdz s LEU 87 N -0.60 3.70 -0.54 8.88 1.43 0.52 0.27 118.68 132.33 3pdz s LEU 87 Ca 0.24 -0.07 -0.17 0.00 -1.03 0.00 0.00 54.13 53.10 3pdz s LEU 87 Cb -0.10 -1.99 0.11 0.00 0.03 0.00 0.00 46.19 44.23 3pdz s LEU 87 CO -0.08 0.02 0.56 -0.76 0.23 0.00 0.00 176.35 176.32 3pdz s LEU 88 N 1.28 5.72 0.00 1.79 1.02 -0.32 0.23 118.68 128.40 3pdz s LEU 88 Ca 0.05 -1.51 0.00 0.00 0.02 0.00 0.00 54.13 52.69 3pdz s LEU 88 Cb -0.15 -2.26 0.00 0.00 0.02 0.00 0.00 46.19 43.80 3pdz s LEU 88 CO 0.05 -0.91 0.00 0.18 0.02 0.00 0.00 176.35 175.68 3pdz n LEU 89 N 5.69 0.00 -3.78 1.79 4.77 0.45 -0.99 117.00 124.94 3pdz n LEU 89 Ca -0.12 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.73 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 0.54 -0.06 -0.23 -0.70 -1.33 0.00 0.00 177.39 175.61 3pdz s GLU 90 N 1.61 0.10 -0.56 3.23 2.12 0.20 -1.55 118.70 123.85 3pdz s GLU 90 Ca 0.00 0.29 -0.35 0.00 0.36 0.00 0.00 54.97 55.27 3pdz s GLU 90 Cb 0.00 -0.10 -0.15 0.00 0.26 0.00 0.00 34.13 34.14 3pdz s GLU 90 CO 0.00 -0.11 2.34 1.17 -0.54 0.00 0.00 175.26 178.11 3pdz n LYS 91 N 3.79 0.56 0.00 4.30 3.00 -0.96 -2.13 118.16 126.71 3pdz n LYS 91 Ca -0.22 0.11 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 3pdz n LYS 91 Cb 0.54 -2.14 0.00 0.00 0.00 0.00 0.00 35.03 33.44 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 6.68 -2.11 3.81 3.14 0.00 -1.26 -4.52 105.19 110.94 3pdz n GLY 92 Ca 0.50 -1.43 -0.33 0.00 0.00 0.00 0.00 46.02 44.76 3pdz n GLY 92 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3pdz s GLN 93 N -0.73 3.72 -0.23 1.61 -0.21 -1.26 -4.92 119.66 117.64 3pdz s GLN 93 Ca 0.00 1.21 -0.20 0.00 0.02 0.00 0.00 55.36 56.39 3pdz s GLN 93 Cb 0.00 -2.09 -0.02 0.00 1.00 0.00 0.00 33.01 31.89 3pdz s GLN 93 CO 0.00 -0.48 0.60 -1.12 -2.12 0.00 0.00 175.29 172.17 3pdz s SER 94 N -2.47 6.58 0.20 5.90 0.01 -1.26 -4.90 113.70 117.77 3pdz s SER 94 Ca 0.64 0.71 -0.11 0.00 1.31 0.00 0.00 55.95 58.50 3pdz s SER 94 Cb -0.14 -2.33 0.26 0.00 0.21 0.00 0.00 66.02 64.03 3pdz s SER 94 CO 0.27 -0.30 1.69 -0.65 0.41 0.00 0.00 173.24 174.66 3pdz h PRO 95 N 7.73 0.19 -0.02 12.44 0.11 -1.95 -3.55 132.00 146.95 3pdz h PRO 95 Ca -0.29 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3pdz h PRO 95 Cb 1.14 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3pdz h PRO 95 CO 0.76 0.13 0.00 0.25 -0.21 0.00 0.00 178.00 178.93