#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pdz s ARG 2 N 0.00 1.47 -0.15 -0.14 0.52 0.40 -4.66 118.95 116.40 2pdz s ARG 2 Ca 0.00 -0.85 -0.04 0.00 -0.52 0.00 0.00 55.73 54.32 2pdz s ARG 2 Cb 0.00 0.55 0.06 0.00 0.52 0.00 0.00 34.95 36.08 2pdz s ARG 2 CO 0.00 -0.64 0.11 0.50 0.02 0.00 0.00 175.30 175.29 2pdz s ARG 3 N -3.87 0.05 0.14 3.54 3.52 -1.26 -1.52 118.95 119.54 2pdz s ARG 3 Ca 0.09 0.09 0.09 0.00 -0.13 0.00 0.00 55.73 55.87 2pdz s ARG 3 Cb -0.02 -1.39 -0.04 0.00 -1.56 0.00 0.00 34.95 31.94 2pdz s ARG 3 CO -0.02 -0.58 -0.20 0.08 -0.81 0.00 0.00 175.30 173.77 2pdz s VAL 4 N 2.18 1.82 0.01 7.11 1.01 -0.83 -4.97 120.40 126.73 2pdz s VAL 4 Ca 0.03 -1.77 0.00 0.00 0.00 0.00 0.00 61.98 60.25 2pdz s VAL 4 Cb -0.15 -1.75 -0.01 0.00 0.00 0.00 0.00 36.38 34.47 2pdz s VAL 4 CO -0.08 -0.18 -0.01 -0.89 0.00 0.00 0.00 175.10 173.93 2pdz s THR 5 N -1.63 0.04 -0.21 3.92 2.01 -1.26 0.10 115.64 118.61 2pdz s THR 5 Ca 0.12 -0.33 -0.01 0.00 0.31 0.00 0.00 61.69 61.78 2pdz s THR 5 Cb -0.08 -0.10 0.06 0.00 0.01 0.00 0.00 72.50 72.39 2pdz s THR 5 CO 0.06 -0.18 0.00 -0.69 -0.69 0.00 0.00 174.62 173.12 2pdz s VAL 6 N -0.52 0.96 -0.29 3.82 1.01 -0.16 -4.91 120.40 120.30 2pdz s VAL 6 Ca -0.06 -0.86 -0.29 0.00 0.00 0.00 0.00 61.98 60.77 2pdz s VAL 6 Cb -0.04 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 2pdz s VAL 6 CO -0.00 -0.18 1.51 -0.13 0.00 0.00 0.00 175.10 176.30 2pdz s ARG 7 N 1.66 3.74 -0.96 2.72 3.00 -1.26 -0.40 118.95 127.45 2pdz s ARG 7 Ca -0.03 1.39 -0.09 0.00 0.00 0.00 0.00 55.73 57.00 2pdz s ARG 7 Cb -0.18 -4.01 -0.07 0.00 0.00 0.00 0.00 34.95 30.70 2pdz s ARG 7 CO -0.08 -1.36 2.14 1.63 0.00 0.00 0.00 175.30 177.64 2pdz n LYS 8 N 7.72 2.12 0.51 3.54 5.02 0.17 -4.64 118.16 132.61 2pdz n LYS 8 Ca 0.18 -1.61 -0.20 0.00 -2.02 0.00 0.00 58.31 54.66 2pdz n LYS 8 Cb 0.46 -2.58 -0.10 0.00 -0.02 0.00 0.00 35.03 32.80 2pdz n LYS 8 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pdz h ALA 9 N 6.49 -1.33 -1.27 7.82 0.00 -1.90 -3.45 119.26 125.62 2pdz h ALA 9 Ca 0.51 -0.29 0.10 0.00 0.00 0.00 0.00 54.91 55.23 2pdz h ALA 9 Cb 0.27 0.51 -0.21 0.00 0.00 0.00 0.00 17.79 18.36 2pdz h ALA 9 CO 1.57 -1.23 -0.19 0.16 0.00 0.00 0.00 179.25 179.56 2pdz s ASP 10 N -3.99 -1.25 -0.30 0.00 -4.77 -1.26 -5.14 116.67 99.96 2pdz s ASP 10 Ca -0.19 1.06 -0.17 0.00 -3.30 0.00 0.00 52.55 49.96 2pdz s ASP 10 Cb 0.02 2.16 0.19 0.00 -1.09 0.00 0.00 42.92 44.20 2pdz s ASP 10 CO 0.57 -0.23 1.20 0.00 0.70 0.00 0.00 175.17 177.40 2pdz s ALA 11 N 2.86 -2.76 -1.29 2.11 0.00 -1.26 -5.03 121.76 116.38 2pdz s ALA 11 Ca 0.11 1.98 -0.09 0.00 0.00 0.00 0.00 51.96 53.96 2pdz s ALA 11 Cb -0.14 -2.03 -0.10 0.00 0.00 0.00 0.00 23.12 20.86 2pdz s ALA 11 CO -0.20 -0.54 2.83 0.41 0.00 0.00 0.00 175.76 178.26 2pdz n GLY 12 N 3.71 3.85 0.00 0.00 0.00 -1.26 -4.72 105.19 106.76 2pdz n GLY 12 Ca -0.14 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.56 2pdz n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pdz n GLY 13 N 3.50 4.57 0.11 -0.02 0.00 -1.26 -4.99 105.19 107.11 2pdz n GLY 13 Ca 0.67 -0.98 0.04 0.00 0.00 0.00 0.00 46.02 45.75 2pdz n GLY 13 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2pdz h LEU 14 N 0.00 0.00 -2.67 0.99 6.46 -1.94 -3.41 115.31 114.74 2pdz h LEU 14 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 2pdz h LEU 14 Cb 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 39.93 2pdz h LEU 14 CO 0.00 0.40 -0.22 0.61 -0.62 0.00 0.00 178.44 178.60 2pdz n GLY 15 N 1.30 -0.97 3.21 3.75 0.00 -1.26 -2.09 105.19 109.13 2pdz n GLY 15 Ca -0.05 0.51 0.04 0.00 0.00 0.00 0.00 46.02 46.52 2pdz n GLY 15 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2pdz s ILE 16 N -1.74 -0.17 -0.30 -0.61 2.07 -1.26 -3.71 121.20 115.48 2pdz s ILE 16 Ca 0.11 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.29 2pdz s ILE 16 Cb -0.03 -1.00 0.01 0.00 0.13 0.00 0.00 42.46 41.57 2pdz s ILE 16 CO 0.35 0.00 0.08 -0.55 -1.91 0.00 0.00 174.94 172.90 2pdz s SER 17 N 2.40 5.10 0.35 4.50 0.15 -0.12 -5.00 113.70 121.09 2pdz s SER 17 Ca -0.02 -0.74 -0.09 0.00 0.70 0.00 0.00 55.95 55.80 2pdz s SER 17 Cb -0.04 -1.87 -0.06 0.00 -1.71 0.00 0.00 66.02 62.33 2pdz s SER 17 CO -0.14 -0.20 0.69 0.27 1.20 0.00 0.00 173.24 175.07 2pdz s ILE 18 N 1.49 4.85 -0.09 6.45 -4.36 -1.26 -0.57 121.20 127.70 2pdz s ILE 18 Ca 0.02 0.50 -0.03 0.00 -0.26 0.00 0.00 60.65 60.88 2pdz s ILE 18 Cb -0.17 -3.71 0.05 0.00 1.25 0.00 0.00 42.46 39.88 2pdz s ILE 18 CO 0.02 -0.40 0.15 -0.75 0.24 0.00 0.00 174.94 174.20 2pdz s LYS 19 N -3.60 0.03 0.00 0.37 2.20 0.33 -4.72 119.74 114.35 2pdz s LYS 19 Ca 0.49 0.46 0.00 0.00 -0.36 0.00 0.00 55.97 56.57 2pdz s LYS 19 Cb -0.10 -0.49 0.00 0.00 -1.51 0.00 0.00 37.83 35.72 2pdz s LYS 19 CO 0.29 -0.37 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 2pdz n GLY 20 N 5.32 -0.59 0.00 5.54 0.00 -1.26 -2.05 105.19 112.15 2pdz n GLY 20 Ca -0.05 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2pdz n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pdz n GLY 21 N 0.00 2.27 0.18 -0.02 0.00 -1.25 -4.63 105.19 101.75 2pdz n GLY 21 Ca 0.00 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.28 2pdz n GLY 21 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2pdz h ARG 22 N 0.00 0.00 0.00 1.61 2.43 -1.76 0.57 114.38 117.23 2pdz h ARG 22 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2pdz h ARG 22 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2pdz h ARG 22 CO 0.00 0.00 0.00 0.39 -1.51 0.00 0.00 179.97 178.85 2pdz n GLU 23 N -2.34 0.22 -0.32 0.20 1.02 -1.26 -3.34 120.64 114.81 2pdz n GLU 23 Ca -0.01 0.18 0.08 0.00 -0.02 0.00 0.00 57.16 57.38 2pdz n GLU 23 Cb 0.04 -1.76 0.18 0.00 -0.02 0.00 0.00 31.44 29.88 2pdz n GLU 23 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2pdz n ASN 24 N -2.14 2.26 -3.06 1.62 3.02 0.18 -5.02 115.26 112.13 2pdz n ASN 24 Ca 0.06 -3.41 -0.15 0.00 -0.03 0.00 0.00 54.58 51.05 2pdz n ASN 24 Cb 0.42 -0.49 0.02 0.00 -0.61 0.00 0.00 39.78 39.12 2pdz n ASN 24 CO 0.00 0.00 0.00 1.17 -2.62 0.00 0.00 177.26 175.81 2pdz n LYS 25 N -1.24 -2.16 -3.60 3.52 4.81 -1.17 -4.92 118.16 113.39 2pdz n LYS 25 Ca 0.19 1.86 -0.01 0.00 -0.87 0.00 0.00 58.31 59.48 2pdz n LYS 25 Cb 0.70 -4.72 -0.04 0.00 0.02 0.00 0.00 35.03 30.99 2pdz n LYS 25 CO 0.00 0.00 0.00 1.41 1.17 0.00 0.00 177.40 179.98 2pdz s MET 26 N -2.68 0.53 -0.23 1.64 1.75 -1.21 -4.96 119.30 114.14 2pdz s MET 26 Ca 0.25 1.30 -0.04 0.00 -1.25 0.00 0.00 55.69 55.96 2pdz s MET 26 Cb -0.05 0.74 -0.13 0.00 2.84 0.00 0.00 34.83 38.23 2pdz s MET 26 CO 0.80 -0.18 2.24 -0.35 -0.65 0.00 0.00 175.02 176.88 2pdz n PRO 27 N 5.27 1.37 -3.14 4.11 -0.04 -1.26 -3.82 135.00 137.49 2pdz n PRO 27 Ca -0.12 -0.79 -0.02 0.00 -0.04 0.00 0.00 63.50 62.54 2pdz n PRO 27 Cb 0.50 -1.95 0.00 0.00 -0.04 0.00 0.00 33.50 32.02 2pdz n PRO 27 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 2pdz n ILE 28 N 3.08 -3.36 -3.70 0.52 2.08 -1.26 -2.28 119.36 114.43 2pdz n ILE 28 Ca 0.29 0.65 -0.36 0.00 0.56 0.00 0.00 62.75 63.90 2pdz n ILE 28 Cb 0.43 -3.53 -0.07 0.00 -0.75 0.00 0.00 39.64 35.72 2pdz n ILE 28 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 2pdz s LEU 29 N -1.14 4.27 0.21 1.39 1.43 -0.87 -1.00 118.68 122.97 2pdz s LEU 29 Ca 0.02 0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 53.20 2pdz s LEU 29 Cb -0.00 -2.18 -0.10 0.00 0.03 0.00 0.00 46.19 43.94 2pdz s LEU 29 CO 0.13 0.22 1.43 -0.63 0.23 0.00 0.00 176.35 177.73 2pdz s ILE 30 N 0.02 2.84 -0.06 -0.59 1.01 -0.06 0.12 121.20 124.48 2pdz s ILE 30 Ca 0.13 0.68 0.03 0.00 0.00 0.00 0.00 60.65 61.48 2pdz s ILE 30 Cb -0.12 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.87 2pdz s ILE 30 CO 0.02 0.09 0.10 -0.24 0.00 0.00 0.00 174.94 174.91 2pdz n SER 31 N 2.84 2.80 -3.45 3.58 2.88 0.26 -0.72 113.62 121.80 2pdz n SER 31 Ca 0.08 -0.20 -0.18 0.00 -1.33 0.00 0.00 58.87 57.24 2pdz n SER 31 Cb 0.41 1.10 -0.12 0.00 -0.75 0.00 0.00 64.21 64.86 2pdz n SER 31 CO 0.00 0.00 0.00 -0.75 -1.23 0.00 0.00 175.04 173.06 2pdz s LYS 32 N -1.92 0.24 -0.35 -1.46 2.20 -1.03 -4.88 119.74 112.54 2pdz s LYS 32 Ca -0.00 0.10 -0.18 0.00 -0.36 0.00 0.00 55.97 55.52 2pdz s LYS 32 Cb 0.02 -0.98 -0.00 0.00 -1.51 0.00 0.00 37.83 35.36 2pdz s LYS 32 CO 0.14 -0.78 0.53 0.42 -0.36 0.00 0.00 175.35 175.30 2pdz s ILE 33 N 2.34 5.01 0.22 5.43 -1.09 -1.26 -0.95 121.20 130.91 2pdz s ILE 33 Ca 0.08 0.39 -0.30 0.00 -2.23 0.00 0.00 60.65 58.59 2pdz s ILE 33 Cb -0.15 -3.97 -0.10 0.00 -1.58 0.00 0.00 42.46 36.66 2pdz s ILE 33 CO -0.20 -0.21 1.40 -0.36 -1.23 0.00 0.00 174.94 174.34 2pdz s PHE 34 N 2.42 3.11 0.47 3.97 0.40 -1.24 -4.97 117.98 122.13 2pdz s PHE 34 Ca 0.19 1.07 -0.19 0.00 -0.60 0.00 0.00 56.93 57.40 2pdz s PHE 34 Cb -0.15 -3.75 -0.10 0.00 0.51 0.00 0.00 43.02 39.53 2pdz s PHE 34 CO 0.13 -2.44 0.97 0.21 0.70 0.00 0.00 175.22 174.79 2pdz s LYS 35 N -0.16 4.09 -1.15 0.44 2.47 -1.26 -3.36 119.74 120.81 2pdz s LYS 35 Ca 0.59 1.06 0.00 0.00 -1.56 0.00 0.00 55.97 56.06 2pdz s LYS 35 Cb -0.40 -2.16 0.00 0.00 -1.46 0.00 0.00 37.83 33.81 2pdz s LYS 35 CO 0.40 -0.15 0.00 0.41 0.16 0.00 0.00 175.35 176.18 2pdz n GLY 36 N -1.02 1.12 3.87 5.54 0.00 -1.26 -4.97 105.19 108.47 2pdz n GLY 36 Ca 0.07 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.73 2pdz n GLY 36 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pdz s LEU 37 N -2.46 3.64 0.07 0.99 2.01 -1.21 -4.90 118.68 116.81 2pdz s LEU 37 Ca 0.00 -0.47 -0.21 0.00 0.01 0.00 0.00 54.13 53.46 2pdz s LEU 37 Cb 0.00 -2.28 -0.08 0.00 0.01 0.00 0.00 46.19 43.84 2pdz s LEU 37 CO 0.00 -0.38 1.35 0.00 1.01 0.00 0.00 176.35 178.33 2pdz h ALA 38 N 1.19 -0.72 -0.32 4.21 0.00 -1.78 0.88 119.26 122.72 2pdz h ALA 38 Ca -0.45 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 54.50 2pdz h ALA 38 Cb 1.25 0.86 -0.08 0.00 0.00 0.00 0.00 17.79 19.82 2pdz h ALA 38 CO 0.58 -0.84 -0.24 0.00 0.00 0.00 0.00 179.25 178.74 2pdz h ALA 39 N -0.71 -0.07 0.00 0.00 0.00 -1.61 0.26 119.26 117.14 2pdz h ALA 39 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2pdz h ALA 39 Cb 0.43 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.75 2pdz h ALA 39 CO -0.28 -0.65 0.00 -3.47 0.00 0.00 0.00 179.25 174.85 2pdz n ASP 40 N -5.39 0.00 -0.94 0.00 2.03 -0.94 -2.60 116.55 108.70 2pdz n ASP 40 Ca 0.00 -0.09 0.12 0.00 0.52 0.00 0.00 54.79 55.35 2pdz n ASP 40 Cb 0.30 -0.25 0.25 0.00 -0.72 0.00 0.00 41.12 40.70 2pdz n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pdz n GLN 41 N -1.25 2.25 -0.42 -0.67 6.02 0.30 -4.11 117.38 119.51 2pdz n GLN 41 Ca 0.10 -1.87 0.08 0.00 -0.01 0.00 0.00 57.00 55.30 2pdz n GLN 41 Cb 0.15 -1.48 0.26 0.00 1.02 0.00 0.00 30.24 30.19 2pdz n GLN 41 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2pdz n THR 42 N 1.13 1.75 -3.85 5.09 5.66 -1.07 -4.98 114.28 118.00 2pdz n THR 42 Ca 0.18 -1.38 -0.33 0.00 -3.05 0.00 0.00 64.05 59.46 2pdz n THR 42 Cb 0.53 0.10 0.02 0.00 -1.55 0.00 0.00 70.33 69.43 2pdz n THR 42 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 2pdz n GLU 43 N 0.33 -1.57 0.00 1.09 2.13 -1.26 -4.66 120.64 116.69 2pdz n GLU 43 Ca 0.20 0.36 0.00 0.00 0.66 0.00 0.00 57.16 58.37 2pdz n GLU 43 Cb 0.75 -3.90 0.00 0.00 0.27 0.00 0.00 31.44 28.55 2pdz n GLU 43 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2pdz n ALA 44 N -4.43 0.00 -2.03 4.31 0.00 -1.26 -5.03 120.51 112.08 2pdz n ALA 44 Ca -0.16 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.01 2pdz n ALA 44 Cb 0.61 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 2pdz n ALA 44 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2pdz s LEU 45 N -2.83 3.02 0.09 0.00 1.98 -1.23 -4.90 118.68 114.82 2pdz s LEU 45 Ca 0.00 -1.44 0.06 0.00 -2.89 0.00 0.00 54.13 49.86 2pdz s LEU 45 Cb 0.00 -2.58 -0.04 0.00 0.66 0.00 0.00 46.19 44.23 2pdz s LEU 45 CO 0.00 -3.14 -0.08 0.72 -1.89 0.00 0.00 176.35 171.95 2pdz s PHE 46 N 11.30 2.78 1.10 5.38 -0.12 -1.26 -4.24 117.98 132.93 2pdz s PHE 46 Ca 0.70 -0.13 -0.21 0.00 -0.05 0.00 0.00 56.93 57.24 2pdz s PHE 46 Cb -0.02 -1.46 0.05 0.00 -0.63 0.00 0.00 43.02 40.96 2pdz s PHE 46 CO 0.11 0.43 -0.29 0.28 -0.05 0.00 0.00 175.22 175.70 2pdz n VAL 47 N 0.78 0.00 -2.49 -2.49 0.31 -1.26 -3.50 118.33 109.67 2pdz n VAL 47 Ca -0.13 -0.25 -0.12 0.00 -0.01 0.00 0.00 64.34 63.83 2pdz n VAL 47 Cb 0.52 -0.49 0.01 0.00 -0.91 0.00 0.00 33.84 32.97 2pdz n VAL 47 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pdz n GLY 48 N 2.31 -0.06 3.10 2.92 0.00 0.10 -4.91 105.19 108.65 2pdz n GLY 48 Ca 0.00 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.38 2pdz n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2pdz s ASP 49 N -2.67 4.66 -0.58 1.61 1.11 -1.23 -1.17 116.67 118.40 2pdz s ASP 49 Ca 0.10 -1.46 -0.24 0.00 0.18 0.00 0.00 52.55 51.13 2pdz s ASP 49 Cb -0.04 -1.62 0.04 0.00 1.07 0.00 0.00 42.92 42.37 2pdz s ASP 49 CO 0.12 -0.25 0.98 0.00 1.18 0.00 0.00 175.17 177.21 2pdz s ALA 50 N 1.13 3.12 0.18 5.23 0.00 -1.03 -0.89 121.76 129.51 2pdz s ALA 50 Ca -0.05 -1.30 -0.30 0.00 0.00 0.00 0.00 51.96 50.31 2pdz s ALA 50 Cb -0.20 -3.80 -0.08 0.00 0.00 0.00 0.00 23.12 19.04 2pdz s ALA 50 CO -0.04 -2.51 1.29 0.42 0.00 0.00 0.00 175.76 174.92 2pdz s ILE 51 N 4.13 3.32 -0.04 0.00 1.01 -0.17 -0.06 121.20 129.39 2pdz s ILE 51 Ca 0.30 1.07 0.06 0.00 0.00 0.00 0.00 60.65 62.08 2pdz s ILE 51 Cb -0.13 -3.69 0.09 0.00 0.01 0.00 0.00 42.46 38.75 2pdz s ILE 51 CO 0.18 0.15 0.97 0.18 0.00 0.00 0.00 174.94 176.43 2pdz n LEU 52 N 2.74 0.88 0.00 2.97 4.32 -0.64 -4.41 117.00 122.86 2pdz n LEU 52 Ca 0.06 -1.57 0.00 0.00 -0.02 0.00 0.00 56.01 54.48 2pdz n LEU 52 Cb 0.43 -0.13 0.00 0.00 -1.62 0.00 0.00 43.42 42.10 2pdz n LEU 52 CO 0.57 0.37 0.00 -0.24 -1.22 0.00 0.00 177.39 176.88 2pdz n SER 53 N -0.47 0.00 -4.69 -1.43 2.88 -1.25 -1.16 113.62 107.49 2pdz n SER 53 Ca 0.05 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.20 2pdz n SER 53 Cb 0.61 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 64.01 2pdz n SER 53 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2pdz s VAL 54 N 0.00 5.13 -1.44 2.46 -7.23 -1.03 -0.33 120.40 117.94 2pdz s VAL 54 Ca 0.00 1.02 -0.09 0.00 -1.81 0.00 0.00 61.98 61.09 2pdz s VAL 54 Cb 0.00 -3.86 0.03 0.00 0.56 0.00 0.00 36.38 33.11 2pdz s VAL 54 CO 0.00 0.24 0.97 0.59 -0.31 0.00 0.00 175.10 176.59 2pdz n ASN 55 N 4.27 -5.82 -1.22 4.85 5.03 0.42 -0.98 115.26 121.82 2pdz n ASN 55 Ca -0.05 -0.53 -0.11 0.00 0.87 0.00 0.00 54.58 54.76 2pdz n ASN 55 Cb 0.51 -4.63 -0.01 0.00 -1.02 0.00 0.00 39.78 34.63 2pdz n ASN 55 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2pdz n GLY 56 N -1.78 -0.06 3.04 7.41 0.00 -1.26 -4.98 105.19 107.57 2pdz n GLY 56 Ca -0.01 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.23 2pdz n GLY 56 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2pdz s GLU 57 N -4.51 2.23 -0.80 1.61 2.12 -0.15 -5.03 118.70 114.15 2pdz s GLU 57 Ca 0.00 -2.46 -0.30 0.00 0.36 0.00 0.00 54.97 52.57 2pdz s GLU 57 Cb 0.00 -3.53 -0.19 0.00 0.26 0.00 0.00 34.13 30.67 2pdz s GLU 57 CO 0.00 -1.13 2.32 -0.25 -0.54 0.00 0.00 175.26 175.66 2pdz n ASP 58 N 3.49 0.34 0.03 -1.70 8.00 -1.26 -2.48 116.55 122.98 2pdz n ASP 58 Ca 0.06 0.25 0.12 0.00 0.71 0.00 0.00 54.79 55.93 2pdz n ASP 58 Cb 0.36 -0.82 0.12 0.00 -0.02 0.00 0.00 41.12 40.76 2pdz n ASP 58 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2pdz n LEU 59 N 8.85 0.63 -0.27 0.64 7.99 -0.31 -4.13 117.00 130.40 2pdz n LEU 59 Ca 0.57 0.05 0.13 0.00 -0.01 0.00 0.00 56.01 56.76 2pdz n LEU 59 Cb 0.01 -0.15 0.39 0.00 -0.11 0.00 0.00 43.42 43.56 2pdz n LEU 59 CO 0.83 0.03 1.22 0.28 -1.51 0.00 0.00 177.39 178.24 2pdz h SER 60 N 0.00 0.63 -0.70 -1.43 0.02 -1.79 0.25 113.55 110.54 2pdz h SER 60 Ca 0.00 0.05 -0.26 0.00 -0.84 0.00 0.00 61.79 60.74 2pdz h SER 60 Cb 0.68 -0.08 -0.15 0.00 0.14 0.00 0.00 62.40 62.99 2pdz h SER 60 CO 0.00 0.30 0.33 -1.20 -1.14 0.00 0.00 176.83 175.12 2pdz n SER 61 N -4.57 4.21 -4.45 3.07 7.64 -1.26 -4.92 113.62 113.34 2pdz n SER 61 Ca 0.18 -3.13 -0.25 0.00 1.01 0.00 0.00 58.87 56.69 2pdz n SER 61 Cb 0.51 -0.73 -0.11 0.00 -1.01 0.00 0.00 64.21 62.87 2pdz n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2pdz s ALA 62 N -2.67 2.64 0.54 -0.43 0.00 0.88 -5.14 121.76 117.59 2pdz s ALA 62 Ca 0.47 -1.77 -0.03 0.00 0.00 0.00 0.00 51.96 50.63 2pdz s ALA 62 Cb 0.38 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 23.23 2pdz s ALA 62 CO 0.11 0.34 0.82 0.95 0.00 0.00 0.00 175.76 177.98 2pdz s THR 63 N -2.16 3.71 0.59 0.00 -4.23 -1.26 -4.34 115.64 107.94 2pdz s THR 63 Ca 0.26 -0.20 0.29 0.00 -1.18 0.00 0.00 61.69 60.86 2pdz s THR 63 Cb -0.06 -3.44 0.38 0.00 1.34 0.00 0.00 72.50 70.72 2pdz s THR 63 CO 0.13 -0.39 1.88 -0.74 -0.54 0.00 0.00 174.62 174.95 2pdz h HIS 64 N 0.03 0.00 -0.17 3.99 2.76 -1.88 0.38 115.15 120.25 2pdz h HIS 64 Ca -0.45 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 57.50 2pdz h HIS 64 Cb 1.26 0.00 0.01 0.00 1.55 0.00 0.00 27.41 30.23 2pdz h HIS 64 CO 0.46 0.00 -0.73 -0.44 -1.30 0.00 0.00 177.93 175.92 2pdz h ASP 65 N 0.00 0.94 0.80 3.26 3.32 -1.93 -1.79 116.42 121.02 2pdz h ASP 65 Ca 0.22 -0.62 -0.06 0.00 0.02 0.00 0.00 57.03 56.59 2pdz h ASP 65 Cb 1.22 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 2pdz h ASP 65 CO -0.00 1.40 -0.31 -0.33 -1.72 0.00 0.00 179.24 178.28 2pdz h GLU 66 N 0.55 0.00 0.02 3.56 5.08 -0.67 -2.01 114.58 121.11 2pdz h GLU 66 Ca -0.04 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.10 2pdz h GLU 66 Cb 1.36 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.63 2pdz h GLU 66 CO 0.15 0.31 -0.85 0.00 -1.00 0.00 0.00 179.01 177.62 2pdz h ALA 67 N 1.69 0.07 -0.02 3.43 0.00 -0.97 -3.17 119.26 120.30 2pdz h ALA 67 Ca -0.00 -0.65 -0.11 0.00 0.00 0.00 0.00 54.91 54.14 2pdz h ALA 67 Cb 0.79 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2pdz h ALA 67 CO 0.04 0.51 -0.52 0.28 0.00 0.00 0.00 179.25 179.57 2pdz h VAL 68 N 0.11 1.37 -0.98 0.00 2.07 -1.23 -2.69 116.25 114.90 2pdz h VAL 68 Ca -0.11 -1.78 0.03 0.00 0.82 0.00 0.00 66.70 65.65 2pdz h VAL 68 Cb 1.55 1.94 -0.06 0.00 -1.52 0.00 0.00 31.29 33.20 2pdz h VAL 68 CO 0.17 0.51 0.64 1.56 0.02 0.00 0.00 177.57 180.48 2pdz h GLN 69 N 0.05 1.22 -0.15 1.57 1.08 -1.38 0.64 115.11 118.14 2pdz h GLN 69 Ca -0.00 -0.07 -0.05 0.00 -1.45 0.00 0.00 58.65 57.08 2pdz h GLN 69 Cb 0.93 -0.28 -0.00 0.00 -0.05 0.00 0.00 27.48 28.09 2pdz h GLN 69 CO 0.07 0.81 -0.09 0.00 -0.95 0.00 0.00 178.83 178.67 2pdz h ALA 70 N 1.40 0.21 -0.33 3.87 0.00 -1.47 -0.59 119.26 122.34 2pdz h ALA 70 Ca 0.39 -0.28 0.09 0.00 0.00 0.00 0.00 54.91 55.11 2pdz h ALA 70 Cb -0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2pdz h ALA 70 CO -0.12 0.03 0.24 -0.07 0.00 0.00 0.00 179.25 179.33 2pdz h LEU 71 N -0.02 0.01 0.21 0.00 -0.00 -1.08 -1.10 115.31 113.33 2pdz h LEU 71 Ca 0.03 0.00 -0.30 0.00 -0.00 0.00 0.00 57.88 57.62 2pdz h LEU 71 Cb 0.57 -0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.26 2pdz h LEU 71 CO 0.02 0.01 -1.34 0.50 -0.00 0.00 0.00 178.44 177.63 2pdz h LYS 72 N 0.01 0.44 -2.06 1.13 1.63 -0.56 -3.35 116.57 113.81 2pdz h LYS 72 Ca 0.16 -0.75 -0.72 0.00 -0.85 0.00 0.00 60.65 58.49 2pdz h LYS 72 Cb 0.61 0.28 -0.32 0.00 -0.60 0.00 0.00 32.23 32.20 2pdz h LYS 72 CO -0.00 1.36 0.48 1.63 -3.45 0.00 0.00 179.45 179.47 2pdz n LYS 73 N -3.83 3.88 -2.77 1.90 5.02 -0.26 -5.02 118.16 117.09 2pdz n LYS 73 Ca -0.18 -4.31 -0.34 0.00 -2.02 0.00 0.00 58.31 51.47 2pdz n LYS 73 Cb 1.01 -2.33 -0.06 0.00 -0.02 0.00 0.00 35.03 33.63 2pdz n LYS 73 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2pdz s THR 74 N -4.79 4.26 0.82 -0.18 -4.23 -0.50 -4.86 115.64 106.16 2pdz s THR 74 Ca 0.46 1.47 -0.14 0.00 -1.18 0.00 0.00 61.69 62.31 2pdz s THR 74 Cb 0.32 -3.63 0.19 0.00 1.34 0.00 0.00 72.50 70.72 2pdz s THR 74 CO -0.24 -0.24 0.98 0.61 -0.54 0.00 0.00 174.62 175.20 2pdz n GLY 75 N -0.40 -1.80 0.22 3.99 0.00 -1.26 -4.93 105.19 101.02 2pdz n GLY 75 Ca 0.07 -1.64 -0.04 0.00 0.00 0.00 0.00 46.02 44.40 2pdz n GLY 75 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2pdz h LYS 76 N 0.00 -0.06 -4.13 1.61 3.64 -1.94 -3.26 116.57 112.44 2pdz h LYS 76 Ca -0.33 0.00 -0.76 0.00 -1.27 0.00 0.00 60.65 58.29 2pdz h LYS 76 Cb 0.94 0.01 -0.24 0.00 -0.41 0.00 0.00 32.23 32.54 2pdz h LYS 76 CO 0.23 -0.04 0.08 -1.83 -2.27 0.00 0.00 179.45 175.61 2pdz s GLU 77 N -6.18 3.36 -1.03 1.90 -1.05 -1.26 0.43 118.70 114.87 2pdz s GLU 77 Ca -0.14 -2.04 -0.26 0.00 -0.15 0.00 0.00 54.97 52.38 2pdz s GLU 77 Cb 0.15 -4.42 -0.20 0.00 -0.44 0.00 0.00 34.13 29.23 2pdz s GLU 77 CO 0.71 -1.38 2.01 0.28 0.95 0.00 0.00 175.26 177.83 2pdz n VAL 78 N 4.68 0.72 -2.47 1.83 0.31 0.47 -4.76 118.33 119.11 2pdz n VAL 78 Ca 0.04 -0.74 -0.42 0.00 -0.01 0.00 0.00 64.34 63.20 2pdz n VAL 78 Cb 0.45 -2.07 -0.03 0.00 -0.91 0.00 0.00 33.84 31.28 2pdz n VAL 78 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2pdz s VAL 79 N 14.03 4.31 -0.14 2.52 1.01 -1.26 -0.99 120.40 139.88 2pdz s VAL 79 Ca 0.75 1.61 -0.00 0.00 0.00 0.00 0.00 61.98 64.34 2pdz s VAL 79 Cb -0.01 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.36 2pdz s VAL 79 CO 0.18 -0.04 -0.07 -0.76 0.00 0.00 0.00 175.10 174.41 2pdz s LEU 80 N 2.57 1.43 -0.04 3.92 1.43 0.29 0.16 118.68 128.45 2pdz s LEU 80 Ca 0.55 -0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 52.85 2pdz s LEU 80 Cb -0.23 -0.90 -0.04 0.00 0.03 0.00 0.00 46.19 45.05 2pdz s LEU 80 CO 0.19 -0.15 1.27 -0.70 0.23 0.00 0.00 176.35 177.19 2pdz s GLU 81 N 1.66 4.33 0.05 1.70 2.12 0.55 -1.97 118.70 127.12 2pdz s GLU 81 Ca 0.03 1.77 0.07 0.00 0.36 0.00 0.00 54.97 57.20 2pdz s GLU 81 Cb -0.14 -3.56 -0.03 0.00 0.26 0.00 0.00 34.13 30.66 2pdz s GLU 81 CO -0.08 -0.49 -0.19 0.54 -0.54 0.00 0.00 175.26 174.49 2pdz s VAL 82 N 2.28 1.56 -0.72 3.70 0.11 -0.58 -1.62 120.40 125.14 2pdz s VAL 82 Ca 0.59 -1.19 -0.02 0.00 -2.93 0.00 0.00 61.98 58.43 2pdz s VAL 82 Cb -0.27 -1.37 0.18 0.00 -1.53 0.00 0.00 36.38 33.39 2pdz s VAL 82 CO 0.23 0.14 0.55 -0.75 -3.33 0.00 0.00 175.10 171.95 2pdz s LYS 83 N -1.23 2.78 0.12 1.54 2.20 0.92 0.15 119.74 126.22 2pdz s LYS 83 Ca 0.06 -2.84 -0.35 0.00 -0.36 0.00 0.00 55.97 52.48 2pdz s LYS 83 Cb -0.09 -3.78 -0.15 0.00 -1.51 0.00 0.00 37.83 32.31 2pdz s LYS 83 CO 0.02 -1.21 1.52 0.98 -0.36 0.00 0.00 175.35 176.29 2pdz n TYR 84 N 2.99 2.03 -1.76 4.03 4.19 -1.26 -2.46 117.16 124.91 2pdz n TYR 84 Ca 0.13 0.38 -0.38 0.00 3.31 0.00 0.00 57.90 61.35 2pdz n TYR 84 Cb 0.37 -2.48 0.05 0.00 0.49 0.00 0.00 39.34 37.77 2pdz n TYR 84 CO 0.00 0.00 0.00 -1.33 0.91 0.00 0.00 176.86 176.44 2pdz n MET 85 N 3.28 2.78 0.00 2.98 2.81 -0.32 -4.74 117.12 123.91 2pdz n MET 85 Ca 0.18 -3.50 0.12 0.00 -1.81 0.00 0.00 57.70 52.69 2pdz n MET 85 Cb 0.25 -2.28 0.74 0.00 -0.71 0.00 0.00 33.22 31.23 2pdz n MET 85 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84