#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3pdz n LYS 2 N 0.00 0.00 0.00 0.54 2.85 -1.26 -5.15 118.16 115.14 3pdz n LYS 2 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3pdz n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 3pdz n LYS 2 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 3pdz n PRO 3 N -2.85 -0.25 0.00 -1.58 -0.04 -1.26 -4.37 135.00 124.65 3pdz n PRO 3 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3pdz n PRO 3 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 4.08 2.76 3.73 0.55 0.00 -1.26 -4.99 105.19 110.06 3pdz n GLY 4 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3pdz n GLY 4 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3pdz s ASP 5 N -2.54 7.05 0.34 1.61 1.01 -1.26 -4.81 116.67 118.08 3pdz s ASP 5 Ca 0.00 2.23 -0.21 0.00 0.71 0.00 0.00 52.55 55.28 3pdz s ASP 5 Cb 0.00 -2.60 -0.10 0.00 1.01 0.00 0.00 42.92 41.23 3pdz s ASP 5 CO 0.00 -0.41 0.87 -0.63 0.21 0.00 0.00 175.17 175.21 3pdz s ILE 6 N 0.13 4.41 0.05 0.77 1.09 -1.26 -2.39 121.20 123.99 3pdz s ILE 6 Ca 0.54 1.47 -0.02 0.00 -1.10 0.00 0.00 60.65 61.55 3pdz s ILE 6 Cb -0.33 -3.77 -0.03 0.00 -1.06 0.00 0.00 42.46 37.26 3pdz s ILE 6 CO 0.36 -0.06 -0.01 0.72 -0.10 0.00 0.00 174.94 175.85 3pdz s PHE 7 N -1.86 0.43 0.01 3.97 -0.12 -0.39 -4.87 117.98 115.14 3pdz s PHE 7 Ca 0.54 -0.90 0.07 0.00 -0.05 0.00 0.00 56.93 56.58 3pdz s PHE 7 Cb -0.13 -0.32 -0.02 0.00 -0.63 0.00 0.00 43.02 41.92 3pdz s PHE 7 CO 0.18 -0.35 -0.20 -1.83 -0.05 0.00 0.00 175.22 172.97 3pdz s GLU 8 N -3.35 1.53 -0.30 1.99 -1.05 -1.26 0.19 118.70 116.45 3pdz s GLU 8 Ca 0.02 -0.80 -0.11 0.00 -0.15 0.00 0.00 54.97 53.93 3pdz s GLU 8 Cb 0.04 -1.54 -0.03 0.00 -0.44 0.00 0.00 34.13 32.16 3pdz s GLU 8 CO -0.08 0.41 0.18 0.54 0.95 0.00 0.00 175.26 177.26 3pdz s VAL 9 N -0.59 5.05 -0.97 1.83 0.11 0.52 -4.92 120.40 121.42 3pdz s VAL 9 Ca 0.08 -0.08 -0.03 0.00 -2.93 0.00 0.00 61.98 59.01 3pdz s VAL 9 Cb -0.08 -3.48 0.27 0.00 -1.53 0.00 0.00 36.38 31.55 3pdz s VAL 9 CO 0.00 0.16 1.08 1.21 -3.33 0.00 0.00 175.10 174.22 3pdz n GLU 10 N 5.04 3.41 -2.76 1.54 2.13 -1.22 -0.88 120.64 127.90 3pdz n GLU 10 Ca -0.14 -4.53 -0.27 0.00 0.66 0.00 0.00 57.16 52.88 3pdz n GLU 10 Cb 0.51 -2.45 -0.00 0.00 0.27 0.00 0.00 31.44 29.76 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 -1.97 3.69 -0.74 4.31 2.96 0.09 -4.84 118.68 122.18 3pdz s LEU 11 Ca 0.31 0.85 -0.16 0.00 -0.22 0.00 0.00 54.13 54.91 3pdz s LEU 11 Cb -0.01 -3.79 0.16 0.00 0.50 0.00 0.00 46.19 43.05 3pdz s LEU 11 CO -0.03 -0.53 0.77 0.00 -1.32 0.00 0.00 176.35 175.24 3pdz s ALA 12 N -2.67 3.72 -0.08 5.97 0.00 -1.26 0.23 121.76 127.67 3pdz s ALA 12 Ca 0.46 -2.82 0.00 0.00 0.00 0.00 0.00 51.96 49.60 3pdz s ALA 12 Cb -0.10 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.45 3pdz s ALA 12 CO 0.43 -2.37 0.28 1.17 0.00 0.00 0.00 175.76 175.27 3pdz n LYS 13 N 5.22 0.29 -4.12 0.00 3.00 -1.05 -4.56 118.16 116.94 3pdz n LYS 13 Ca 0.05 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.01 3pdz n LYS 13 Cb 0.45 -1.34 -0.13 0.00 0.00 0.00 0.00 35.03 34.01 3pdz n LYS 13 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 3pdz s ASN 14 N 0.87 4.54 -0.21 3.14 2.47 -1.20 -4.52 114.94 120.02 3pdz s ASN 14 Ca 0.00 -0.28 0.00 0.00 0.42 0.00 0.00 52.86 53.00 3pdz s ASN 14 Cb 0.00 -1.77 0.00 0.00 -1.45 0.00 0.00 41.25 38.03 3pdz s ASN 14 CO 0.00 0.05 0.00 -0.67 -3.72 0.00 0.00 177.10 172.76 3pdz n ASP 15 N 4.32 -5.24 -3.64 -4.21 -0.08 -1.26 -4.92 116.55 101.52 3pdz n ASP 15 Ca -0.18 0.05 -0.06 0.00 -1.51 0.00 0.00 54.79 53.09 3pdz n ASP 15 Cb 0.52 -2.91 -0.07 0.00 2.34 0.00 0.00 41.12 41.00 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 -2.10 -0.64 0.13 1.67 2.20 -1.26 -5.13 114.94 109.80 3pdz s ASN 16 Ca 0.00 1.08 0.00 0.00 -0.94 0.00 0.00 52.86 53.00 3pdz s ASN 16 Cb 0.00 1.21 0.00 0.00 -2.00 0.00 0.00 41.25 40.46 3pdz s ASN 16 CO 0.00 -0.17 0.00 -1.20 -2.94 0.00 0.00 177.10 172.79 3pdz n SER 17 N 3.46 0.00 -2.00 3.54 7.64 -1.26 -4.43 113.62 120.56 3pdz n SER 17 Ca -0.17 -0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.45 3pdz n SER 17 Cb 0.57 0.00 0.00 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 -1.46 -3.43 7.99 -1.26 -2.75 117.00 116.09 3pdz n LEU 18 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 56.01 55.95 3pdz n LEU 18 Cb 0.00 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.31 3pdz n LEU 18 CO 0.00 -0.50 0.39 0.61 -1.51 0.00 0.00 177.39 176.39 3pdz n GLY 19 N 5.00 0.78 3.51 -0.72 0.00 -1.26 -3.36 105.19 109.14 3pdz n GLY 19 Ca 0.00 -0.05 -0.32 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 3.15 -0.52 -0.61 2.07 -1.26 0.23 121.20 124.29 3pdz s ILE 20 Ca 0.03 -0.91 -0.18 0.00 -1.41 0.00 0.00 60.65 58.18 3pdz s ILE 20 Cb 0.13 -2.31 0.08 0.00 0.13 0.00 0.00 42.46 40.49 3pdz s ILE 20 CO -0.04 0.43 0.57 -0.55 -1.91 0.00 0.00 174.94 173.45 3pdz s SER 21 N -1.21 6.19 0.18 4.50 0.15 -0.12 -4.84 113.70 118.54 3pdz s SER 21 Ca 0.14 -1.24 -0.07 0.00 0.70 0.00 0.00 55.95 55.48 3pdz s SER 21 Cb -0.11 -2.26 -0.06 0.00 -1.71 0.00 0.00 66.02 61.88 3pdz s SER 21 CO 0.05 -0.88 0.45 0.68 1.20 0.00 0.00 173.24 174.73 3pdz s VAL 22 N 2.29 5.06 0.31 4.45 -7.23 -1.26 -0.45 120.40 123.57 3pdz s VAL 22 Ca 0.10 0.23 -0.02 0.00 -1.81 0.00 0.00 61.98 60.48 3pdz s VAL 22 Cb -0.23 -3.62 0.01 0.00 0.56 0.00 0.00 36.38 33.10 3pdz s VAL 22 CO 0.08 0.00 0.45 0.41 -0.31 0.00 0.00 175.10 175.73 3pdz n THR 23 N 0.02 0.00 0.00 5.32 -1.04 -1.20 -4.73 114.28 112.65 3pdz n THR 23 Ca -0.01 -1.51 0.00 0.00 -2.04 0.00 0.00 64.05 60.48 3pdz n THR 23 Cb 0.52 0.96 0.00 0.00 -1.82 0.00 0.00 70.33 69.99 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 -0.51 2.93 5.00 3.41 0.00 -1.26 -3.22 105.19 111.54 3pdz n GLY 24 Ca -0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.52 1.54 -0.02 0.00 -1.23 -2.58 105.19 103.42 3pdz n GLY 25 Ca 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 0.67 -1.08 1.61 0.24 -1.26 -3.96 118.33 114.55 3pdz n VAL 26 Ca 0.00 -0.17 -0.32 0.00 -2.04 0.00 0.00 64.34 61.81 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 0.84 6.37 0.08 -1.34 3.02 -1.25 -3.54 115.26 119.44 3pdz n ASN 27 Ca 0.08 -2.49 0.00 0.00 -0.03 0.00 0.00 54.58 52.15 3pdz n ASN 27 Cb 0.09 -1.33 0.00 0.00 -0.61 0.00 0.00 39.78 37.93 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 4.11 0.00 0.01 3.41 -1.04 -1.26 -4.95 114.28 114.56 3pdz n THR 28 Ca 0.60 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 62.42 3pdz n THR 28 Cb 0.21 -0.21 -0.14 0.00 -1.82 0.00 0.00 70.33 68.37 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 0.34 -2.61 8.00 0.02 -1.91 -3.47 113.55 113.92 3pdz h SER 29 Ca 0.00 -0.91 -0.22 0.00 -0.84 0.00 0.00 61.79 59.82 3pdz h SER 29 Cb 0.00 -0.11 0.10 0.00 0.14 0.00 0.00 62.40 62.53 3pdz h SER 29 CO 0.00 1.38 0.10 1.33 -1.14 0.00 0.00 176.83 178.50 3pdz n VAL 30 N -4.18 0.00 0.22 2.27 0.24 -1.24 -4.96 118.33 110.67 3pdz n VAL 30 Ca -0.17 -0.32 -0.17 0.00 -2.04 0.00 0.00 64.34 61.65 3pdz n VAL 30 Cb 0.77 -1.26 -0.09 0.00 -1.47 0.00 0.00 33.84 31.79 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 -0.84 0.00 7.34 2.43 -1.90 -3.45 114.38 117.96 3pdz h ARG 31 Ca -0.22 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.01 3pdz h ARG 31 Cb 0.66 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.40 3pdz h ARG 31 CO 0.15 -0.56 0.00 -2.39 -1.51 0.00 0.00 179.97 175.66 3pdz n HIS 32 N -5.36 -0.56 -1.67 2.20 1.44 -1.26 -4.93 115.22 105.07 3pdz n HIS 32 Ca -0.10 0.00 -0.02 0.00 -2.01 0.00 0.00 57.72 55.59 3pdz n HIS 32 Cb 0.42 0.34 -0.02 0.00 0.12 0.00 0.00 29.99 30.85 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 0.51 0.25 3.91 -1.39 0.00 -1.26 -3.94 105.19 103.27 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 -0.31 1.94 0.22 -0.02 0.00 -1.25 -1.17 107.32 106.72 3pdz s GLY 34 Ca 0.00 -0.63 -0.04 0.00 0.00 0.00 0.00 44.72 44.05 3pdz s GLY 34 CO 0.00 -0.54 0.46 -1.50 0.00 0.00 0.00 173.10 171.52 3pdz s ILE 35 N -1.91 5.10 -0.23 0.90 -1.16 -1.25 -3.55 121.20 119.10 3pdz s ILE 35 Ca 0.42 -0.01 -0.03 0.00 -0.51 0.00 0.00 60.65 60.52 3pdz s ILE 35 Cb -0.11 -3.69 0.07 0.00 0.61 0.00 0.00 42.46 39.35 3pdz s ILE 35 CO 0.28 -0.15 0.07 -0.31 -2.81 0.00 0.00 174.94 172.02 3pdz s TYR 36 N -1.88 0.88 0.50 3.50 1.51 -1.20 -2.71 117.35 117.94 3pdz s TYR 36 Ca 0.42 -0.93 -0.22 0.00 -1.01 0.00 0.00 57.07 55.33 3pdz s TYR 36 Cb -0.11 -1.07 -0.08 0.00 -0.11 0.00 0.00 41.96 40.59 3pdz s TYR 36 CO 0.27 -0.68 1.09 1.33 -1.11 0.00 0.00 175.55 176.45 3pdz n VAL 37 N 5.09 3.04 -0.03 0.71 0.24 -1.20 -3.24 118.33 122.94 3pdz n VAL 37 Ca -0.07 -0.50 -0.18 0.00 -2.04 0.00 0.00 64.34 61.55 3pdz n VAL 37 Cb 0.46 -1.30 -0.13 0.00 -1.47 0.00 0.00 33.84 31.39 3pdz n VAL 37 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 3pdz h LYS 38 N 1.30 0.13 -1.78 7.34 3.64 -1.05 2.60 116.57 128.74 3pdz h LYS 38 Ca -0.47 -0.22 0.27 0.00 -1.27 0.00 0.00 60.65 58.96 3pdz h LYS 38 Cb 1.33 0.08 -0.11 0.00 -0.41 0.00 0.00 32.23 33.13 3pdz h LYS 38 CO 0.55 1.10 0.70 0.00 -2.27 0.00 0.00 179.45 179.54 3pdz s ALA 39 N -2.34 -2.02 -0.26 5.00 0.00 -0.98 -4.35 121.76 116.81 3pdz s ALA 39 Ca -0.19 0.50 -0.13 0.00 0.00 0.00 0.00 51.96 52.14 3pdz s ALA 39 Cb 0.00 0.46 -0.04 0.00 0.00 0.00 0.00 23.12 23.54 3pdz s ALA 39 CO 0.73 -1.04 0.29 0.14 0.00 0.00 0.00 175.76 175.88 3pdz s VAL 40 N -2.75 5.24 -0.46 0.00 -7.23 -1.26 -0.95 120.40 113.00 3pdz s VAL 40 Ca 0.13 0.40 -0.29 0.00 -1.81 0.00 0.00 61.98 60.42 3pdz s VAL 40 Cb 0.02 -3.62 0.03 0.00 0.56 0.00 0.00 36.38 33.37 3pdz s VAL 40 CO -0.02 0.22 1.19 -0.63 -0.31 0.00 0.00 175.10 175.55 3pdz s ILE 41 N 1.78 4.15 -0.45 -0.62 -1.09 0.62 -4.81 121.20 120.78 3pdz s ILE 41 Ca 0.12 1.18 -0.11 0.00 -2.23 0.00 0.00 60.65 59.61 3pdz s ILE 41 Cb -0.15 -4.52 -0.11 0.00 -1.58 0.00 0.00 42.46 36.10 3pdz s ILE 41 CO 0.09 -0.94 1.65 -2.65 -1.23 0.00 0.00 174.94 171.86 3pdz n PRO 42 N 7.86 0.98 0.00 2.79 -0.02 -1.26 -2.45 135.00 142.90 3pdz n PRO 42 Ca 0.13 -1.17 0.00 0.00 -2.02 0.00 0.00 63.50 60.44 3pdz n PRO 42 Cb 0.49 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3pdz n PRO 42 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3pdz n GLN 43 N 5.64 0.00 -3.14 -0.52 1.13 -1.26 -4.95 117.38 114.28 3pdz n GLN 43 Ca 0.32 0.00 -0.32 0.00 -1.94 0.00 0.00 57.00 55.07 3pdz n GLN 43 Cb 0.19 -0.01 -0.05 0.00 0.11 0.00 0.00 30.24 30.49 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 -1.65 2.19 0.63 1.08 0.00 -1.03 -4.86 107.32 103.69 3pdz s GLY 44 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 44.72 44.59 3pdz s GLY 44 CO 0.00 0.05 0.98 0.00 0.00 0.00 0.00 173.10 174.13 3pdz n ALA 45 N -0.59 0.00 -0.10 3.20 0.00 -1.11 -1.95 120.51 119.97 3pdz n ALA 45 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3pdz n ALA 45 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3pdz n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3pdz n ALA 46 N -1.48 -0.19 -0.28 0.00 0.00 -1.26 -2.11 120.51 115.19 3pdz n ALA 46 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 3pdz n ALA 46 Cb 0.98 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.67 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 1.00 0.20 0.00 4.22 -1.48 0.62 114.58 119.15 3pdz h GLU 47 Ca 0.00 -0.06 -0.00 0.00 0.08 0.00 0.00 59.36 59.38 3pdz h GLU 47 Cb 0.00 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.01 3pdz h GLU 47 CO 0.00 0.66 -0.26 0.77 -2.18 0.00 0.00 179.01 178.00 3pdz h SER 48 N 1.03 -0.74 -0.57 1.04 0.02 -1.52 -2.65 113.55 110.16 3pdz h SER 48 Ca 0.36 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 61.33 3pdz h SER 48 Cb 0.11 0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 3pdz h SER 48 CO -0.12 -0.33 0.20 -0.78 -1.14 0.00 0.00 176.83 174.67 3pdz h ASP 49 N -0.48 0.84 -0.69 3.07 1.82 -1.26 -3.47 116.42 116.25 3pdz h ASP 49 Ca -0.02 -0.13 0.00 0.00 -0.39 0.00 0.00 57.03 56.49 3pdz h ASP 49 Cb 0.43 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 40.22 3pdz h ASP 49 CO -0.06 0.78 0.00 0.61 -1.61 0.00 0.00 179.24 178.95 3pdz n GLY 50 N -0.93 0.84 0.07 -0.78 0.00 0.22 -5.00 105.19 99.60 3pdz n GLY 50 Ca 0.05 -0.68 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 3pdz n GLY 50 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3pdz h ARG 51 N 0.00 0.00 -7.26 1.61 2.47 -1.85 -3.47 114.38 105.88 3pdz h ARG 51 Ca 0.00 0.00 -0.50 0.00 -1.26 0.00 0.00 59.98 58.22 3pdz h ARG 51 Cb 0.93 0.00 0.05 0.00 -1.65 0.00 0.00 29.97 29.29 3pdz h ARG 51 CO 0.00 0.54 0.36 -1.50 0.56 0.00 0.00 179.97 179.93 3pdz s ILE 52 N -2.02 4.72 0.07 2.04 1.10 -1.26 -4.88 121.20 120.96 3pdz s ILE 52 Ca -0.14 0.83 -0.03 0.00 -0.51 0.00 0.00 60.65 60.80 3pdz s ILE 52 Cb 0.00 -3.84 -0.03 0.00 0.15 0.00 0.00 42.46 38.74 3pdz s ILE 52 CO 0.38 -1.03 0.05 -1.00 -2.11 0.00 0.00 174.94 171.23 3pdz s HIS 53 N -3.02 0.45 0.13 3.50 3.76 -1.26 -4.86 115.29 113.99 3pdz s HIS 53 Ca 0.54 -0.94 -0.33 0.00 -0.15 0.00 0.00 55.06 54.18 3pdz s HIS 53 Cb -0.11 -0.30 -0.17 0.00 1.11 0.00 0.00 32.58 33.11 3pdz s HIS 53 CO 0.49 -0.45 0.97 1.63 -0.85 0.00 0.00 174.74 176.53 3pdz n LYS 54 N 0.03 0.55 -2.43 1.40 5.02 -1.26 -0.99 118.16 120.48 3pdz n LYS 54 Ca -0.13 0.20 -0.10 0.00 -2.02 0.00 0.00 58.31 56.25 3pdz n LYS 54 Cb 0.62 -1.57 -0.01 0.00 -0.02 0.00 0.00 35.03 34.05 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 1.85 -0.47 3.71 0.72 0.00 0.87 -4.81 105.19 107.06 3pdz n GLY 55 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.02 6.66 -0.90 1.61 1.11 -0.17 -4.40 116.67 118.56 3pdz s ASP 56 Ca 0.00 2.50 -0.23 0.00 0.18 0.00 0.00 52.55 55.00 3pdz s ASP 56 Cb 0.00 -2.58 0.06 0.00 1.07 0.00 0.00 42.92 41.46 3pdz s ASP 56 CO 0.00 -0.79 1.32 -0.13 1.18 0.00 0.00 175.17 176.74 3pdz s ARG 57 N 1.50 3.44 -0.34 8.23 1.81 -1.16 -3.25 118.95 129.19 3pdz s ARG 57 Ca 0.69 -0.96 -0.24 0.00 -1.72 0.00 0.00 55.73 53.51 3pdz s ARG 57 Cb -0.41 -4.89 0.01 0.00 -0.45 0.00 0.00 34.95 29.21 3pdz s ARG 57 CO 0.31 -2.10 0.82 0.14 -0.68 0.00 0.00 175.30 173.79 3pdz s VAL 58 N 4.77 4.73 -0.34 3.52 -7.23 -1.10 0.29 120.40 125.03 3pdz s VAL 58 Ca 0.39 1.10 0.13 0.00 -1.81 0.00 0.00 61.98 61.79 3pdz s VAL 58 Cb -0.04 -4.21 -0.17 0.00 0.56 0.00 0.00 36.38 32.52 3pdz s VAL 58 CO -0.02 -0.37 0.43 0.18 -0.31 0.00 0.00 175.10 175.02 3pdz n LEU 59 N 6.39 0.33 -3.81 1.32 7.99 -1.12 -3.77 117.00 124.34 3pdz n LEU 59 Ca 0.04 -0.27 -0.12 0.00 -0.01 0.00 0.00 56.01 55.65 3pdz n LEU 59 Cb 0.48 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.70 3pdz n LEU 59 CO 0.53 0.08 -0.06 0.00 -1.51 0.00 0.00 177.39 176.43 3pdz s ALA 60 N -2.56 -0.58 -0.26 -1.18 0.00 -0.74 0.15 121.76 116.58 3pdz s ALA 60 Ca 0.00 0.11 -0.04 0.00 0.00 0.00 0.00 51.96 52.03 3pdz s ALA 60 Cb 0.09 0.11 0.09 0.00 0.00 0.00 0.00 23.12 23.41 3pdz s ALA 60 CO 0.55 -0.25 0.11 0.08 0.00 0.00 0.00 175.76 176.25 3pdz s VAL 61 N -1.44 0.02 -1.14 0.00 1.01 -0.91 -2.23 120.40 115.71 3pdz s VAL 61 Ca -0.13 -0.64 0.00 0.00 0.00 0.00 0.00 61.98 61.20 3pdz s VAL 61 Cb -0.06 -0.92 0.00 0.00 0.00 0.00 0.00 36.38 35.40 3pdz s VAL 61 CO 0.03 -0.59 0.00 0.59 0.00 0.00 0.00 175.10 175.13 3pdz n ASN 62 N 5.22 -4.98 0.00 3.32 5.03 0.16 -1.55 115.26 122.47 3pdz n ASN 62 Ca -0.06 0.26 0.00 0.00 0.87 0.00 0.00 54.58 55.65 3pdz n ASN 62 Cb 0.44 -3.42 0.00 0.00 -1.02 0.00 0.00 39.78 35.78 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 -0.75 0.92 3.46 7.41 0.00 -1.26 -5.03 105.19 109.95 3pdz n GLY 63 Ca -0.11 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.48 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 0.05 1.61 0.11 -0.60 -5.02 120.40 119.43 3pdz s VAL 64 Ca 0.00 -0.37 -0.32 0.00 -2.93 0.00 0.00 61.98 58.36 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 -0.75 1.87 -1.54 -3.33 0.00 0.00 175.10 171.35 3pdz n SER 65 N 6.17 3.86 0.01 3.54 3.41 -1.26 -2.14 113.62 127.21 3pdz n SER 65 Ca -0.06 0.97 0.11 0.00 -0.26 0.00 0.00 58.87 59.63 3pdz n SER 65 Cb 0.46 -1.49 0.05 0.00 -0.26 0.00 0.00 64.21 62.97 3pdz n SER 65 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3pdz n LEU 66 N 6.22 0.66 -4.51 1.04 4.77 0.39 -4.90 117.00 120.66 3pdz n LEU 66 Ca 0.20 -0.12 -0.36 0.00 -0.03 0.00 0.00 56.01 55.70 3pdz n LEU 66 Cb 0.36 -0.11 -0.14 0.00 -2.33 0.00 0.00 43.42 41.20 3pdz n LEU 66 CO 0.68 0.11 2.13 1.21 -1.33 0.00 0.00 177.39 180.18 3pdz n GLU 67 N -1.75 0.22 0.00 3.23 2.13 -1.25 -2.95 120.64 120.27 3pdz n GLU 67 Ca 0.03 -0.04 0.00 0.00 0.66 0.00 0.00 57.16 57.81 3pdz n GLU 67 Cb 0.39 -1.89 0.00 0.00 0.27 0.00 0.00 31.44 30.21 3pdz n GLU 67 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3pdz n GLY 68 N 6.27 0.72 3.61 8.31 0.00 -1.17 -4.98 105.19 117.94 3pdz n GLY 68 Ca 0.60 -0.74 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.02 1.07 4.61 0.00 -0.32 -4.98 121.76 119.02 3pdz s ALA 69 Ca 0.00 1.73 -0.08 0.00 0.00 0.00 0.00 51.96 53.60 3pdz s ALA 69 Cb 0.00 -1.15 0.12 0.00 0.00 0.00 0.00 23.12 22.09 3pdz s ALA 69 CO 0.00 -0.26 0.50 0.25 0.00 0.00 0.00 175.76 176.25 3pdz n THR 70 N 0.88 0.00 0.40 0.00 -2.24 -1.26 -4.03 114.28 108.02 3pdz n THR 70 Ca -0.07 -0.27 -0.17 0.00 -2.27 0.00 0.00 64.05 61.27 3pdz n THR 70 Cb 0.58 -1.30 -0.08 0.00 -2.10 0.00 0.00 70.33 67.43 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 -1.82 -0.94 -0.84 4.78 2.76 -1.66 -2.67 115.15 114.75 3pdz h HIS 71 Ca -0.18 -0.02 0.20 0.00 -2.20 0.00 0.00 60.37 58.17 3pdz h HIS 71 Cb 0.53 0.31 -0.05 0.00 1.55 0.00 0.00 27.41 29.75 3pdz h HIS 71 CO 0.00 -0.57 0.57 -0.22 -1.30 0.00 0.00 177.93 176.41 3pdz h LYS 72 N -1.19 0.26 -0.02 5.26 3.64 -1.94 0.32 116.57 122.90 3pdz h LYS 72 Ca -0.10 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 3pdz h LYS 72 Cb 0.80 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 3pdz h LYS 72 CO 0.17 0.17 -0.00 1.96 -2.27 0.00 0.00 179.45 179.48 3pdz h GLN 73 N 0.27 0.00 -0.23 1.90 4.20 -1.86 -1.50 115.11 117.90 3pdz h GLN 73 Ca 0.42 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 59.08 3pdz h GLN 73 Cb 1.22 -0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.99 3pdz h GLN 73 CO -0.11 0.00 -0.04 0.00 -0.67 0.00 0.00 178.83 178.01 3pdz h ALA 74 N 1.02 0.31 -0.99 3.87 0.00 -0.60 -2.69 119.26 120.19 3pdz h ALA 74 Ca 0.01 -0.25 0.35 0.00 0.00 0.00 0.00 54.91 55.03 3pdz h ALA 74 Cb 0.02 -0.08 -0.17 0.00 0.00 0.00 0.00 17.79 17.55 3pdz h ALA 74 CO -0.02 0.08 0.44 -0.24 0.00 0.00 0.00 179.25 179.51 3pdz h VAL 75 N 0.17 0.11 -0.28 0.00 3.04 -0.17 1.45 116.25 120.59 3pdz h VAL 75 Ca 0.06 -0.04 -0.06 0.00 -1.01 0.00 0.00 66.70 65.65 3pdz h VAL 75 Cb 0.48 -0.00 -0.01 0.00 -2.01 0.00 0.00 31.29 29.75 3pdz h VAL 75 CO 0.02 0.02 -0.06 -0.33 -1.01 0.00 0.00 177.57 176.21 3pdz h GLU 76 N 0.11 0.53 0.39 4.17 5.08 -0.96 -1.77 114.58 122.13 3pdz h GLU 76 Ca 0.75 -0.20 -0.02 0.00 -1.00 0.00 0.00 59.36 58.89 3pdz h GLU 76 Cb 1.82 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 31.05 3pdz h GLU 76 CO -0.74 0.73 -0.19 1.79 -1.00 0.00 0.00 179.01 179.61 3pdz h THR 77 N 0.29 0.60 -0.48 1.13 1.35 0.20 1.14 112.91 117.15 3pdz h THR 77 Ca 0.07 -0.37 0.08 0.00 -0.55 0.00 0.00 66.41 65.64 3pdz h THR 77 Cb 0.53 0.78 -0.07 0.00 -1.73 0.00 0.00 68.15 67.66 3pdz h THR 77 CO 0.03 0.07 0.07 -0.07 -0.25 0.00 0.00 175.52 175.37 3pdz h LEU 78 N -0.74 -0.04 0.45 3.87 3.38 -0.44 -2.84 115.31 118.94 3pdz h LEU 78 Ca -0.05 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 3pdz h LEU 78 Cb 0.51 0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3pdz h LEU 78 CO 0.09 0.01 -0.21 -0.09 0.09 0.00 0.00 178.44 178.32 3pdz h ARG 79 N 0.20 -0.58 -3.86 1.13 2.43 -1.29 -3.33 114.38 109.09 3pdz h ARG 79 Ca 0.24 0.04 -0.28 0.00 -0.81 0.00 0.00 59.98 59.17 3pdz h ARG 79 Cb 0.33 0.13 0.02 0.00 -0.42 0.00 0.00 29.97 30.03 3pdz h ARG 79 CO -0.33 -0.28 1.88 0.09 -1.51 0.00 0.00 179.97 179.82 3pdz n ASN 80 N -5.20 2.55 0.00 -3.80 3.02 0.39 -4.41 115.26 107.81 3pdz n ASN 80 Ca -0.10 -2.25 0.00 0.00 -0.03 0.00 0.00 54.58 52.21 3pdz n ASN 80 Cb 0.29 -0.83 0.00 0.00 -0.61 0.00 0.00 39.78 38.63 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 4.88 0.00 0.00 3.41 -2.24 -1.24 -4.80 114.28 114.29 3pdz n THR 81 Ca 0.28 0.25 0.00 0.00 -2.27 0.00 0.00 64.05 62.31 3pdz n THR 81 Cb 0.13 -1.14 0.00 0.00 -2.10 0.00 0.00 70.33 67.22 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 2.05 1.52 0.00 3.38 0.00 -1.26 -4.89 105.19 105.99 3pdz n GLY 82 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.15 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 -4.44 117.38 119.73 3pdz n GLN 83 Ca 0.00 0.00 -0.22 0.00 -1.83 0.00 0.00 57.00 54.95 3pdz n GLN 83 Cb 0.00 -0.58 -0.06 0.00 -0.86 0.00 0.00 30.24 28.74 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 -0.30 3.85 -1.09 -0.39 1.01 -1.26 -2.54 120.40 119.68 3pdz s VAL 84 Ca 0.00 -1.68 -0.11 0.00 0.00 0.00 0.00 61.98 60.19 3pdz s VAL 84 Cb 0.00 -3.09 0.25 0.00 0.00 0.00 0.00 36.38 33.53 3pdz s VAL 84 CO 0.00 -0.35 1.13 -0.69 0.00 0.00 0.00 175.10 175.19 3pdz s VAL 85 N -2.25 5.73 -1.09 2.92 1.01 0.63 -4.61 120.40 122.74 3pdz s VAL 85 Ca 0.33 -3.09 -0.12 0.00 0.00 0.00 0.00 61.98 59.10 3pdz s VAL 85 Cb -0.07 -4.65 0.23 0.00 0.00 0.00 0.00 36.38 31.89 3pdz s VAL 85 CO 0.22 -1.26 1.16 -2.28 0.00 0.00 0.00 175.10 172.95 3pdz s HIS 86 N -0.40 3.89 -0.26 5.22 5.04 -1.25 -0.73 115.29 126.80 3pdz s HIS 86 Ca 0.31 -2.33 -0.10 0.00 -1.54 0.00 0.00 55.06 51.41 3pdz s HIS 86 Cb -0.08 -4.01 -0.04 0.00 0.04 0.00 0.00 32.58 28.48 3pdz s HIS 86 CO -0.07 -1.13 0.14 -0.51 -2.34 0.00 0.00 174.74 170.83 3pdz s LEU 87 N 0.08 3.87 -0.54 8.88 1.43 -0.06 0.41 118.68 132.75 3pdz s LEU 87 Ca 0.33 -0.03 -0.16 0.00 -1.03 0.00 0.00 54.13 53.23 3pdz s LEU 87 Cb -0.07 -2.05 0.12 0.00 0.03 0.00 0.00 46.19 44.21 3pdz s LEU 87 CO -0.06 -0.00 0.51 -0.76 0.23 0.00 0.00 176.35 176.27 3pdz s LEU 88 N 1.47 6.02 0.00 1.79 1.02 -0.95 0.19 118.68 128.23 3pdz s LEU 88 Ca 0.07 -1.68 0.00 0.00 0.02 0.00 0.00 54.13 52.53 3pdz s LEU 88 Cb -0.15 -2.22 0.00 0.00 0.02 0.00 0.00 46.19 43.84 3pdz s LEU 88 CO 0.07 -0.86 0.00 0.18 0.02 0.00 0.00 176.35 175.76 3pdz n LEU 89 N 5.36 0.00 -3.92 1.79 4.77 0.50 -1.80 117.00 123.70 3pdz n LEU 89 Ca -0.13 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.72 3pdz n LEU 89 Cb 0.41 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.36 3pdz n LEU 89 CO 0.54 -0.06 -0.37 -0.70 -1.33 0.00 0.00 177.39 175.47 3pdz s GLU 90 N 1.77 0.18 -0.43 3.23 2.12 0.14 -1.26 118.70 124.46 3pdz s GLU 90 Ca 0.00 -0.21 -0.30 0.00 0.36 0.00 0.00 54.97 54.82 3pdz s GLU 90 Cb 0.00 -0.09 -0.10 0.00 0.26 0.00 0.00 34.13 34.21 3pdz s GLU 90 CO 0.00 0.02 2.32 1.17 -0.54 0.00 0.00 175.26 178.23 3pdz n LYS 91 N 2.66 1.16 -1.10 4.30 3.00 -1.01 -3.00 118.16 124.17 3pdz n LYS 91 Ca -0.15 0.23 -0.37 0.00 -0.00 0.00 0.00 58.31 58.02 3pdz n LYS 91 Cb 0.58 -2.83 -0.04 0.00 0.00 0.00 0.00 35.03 32.75 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 6.21 3.04 3.67 3.14 0.00 -1.26 -4.63 105.19 115.36 3pdz n GLY 92 Ca 0.40 -1.19 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 3pdz n GLY 92 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3pdz s GLN 93 N 4.18 4.30 0.71 1.61 -2.07 -1.26 -4.91 119.66 122.22 3pdz s GLN 93 Ca 0.51 1.60 -0.11 0.00 -1.82 0.00 0.00 55.36 55.54 3pdz s GLN 93 Cb 0.13 -3.64 0.02 0.00 -1.09 0.00 0.00 33.01 28.43 3pdz s GLN 93 CO 0.04 -0.55 1.08 -1.12 -1.32 0.00 0.00 175.29 173.42 3pdz s SER 94 N 1.59 5.37 0.07 12.60 0.01 -1.26 -5.00 113.70 127.08 3pdz s SER 94 Ca 0.53 1.25 -0.27 0.00 1.31 0.00 0.00 55.95 58.78 3pdz s SER 94 Cb -0.22 -2.09 -0.12 0.00 0.21 0.00 0.00 66.02 63.80 3pdz s SER 94 CO 0.17 -1.40 1.42 -0.65 0.41 0.00 0.00 173.24 173.19 3pdz h PRO 95 N -0.69 -0.67 -0.03 12.44 0.11 -2.04 -3.54 132.00 137.57 3pdz h PRO 95 Ca -0.45 0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.70 3pdz h PRO 95 Cb 1.24 0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.50 3pdz h PRO 95 CO 0.62 -0.45 0.00 2.41 -0.21 0.00 0.00 178.00 180.37