#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 1.72 -0.19 5.56 3.52 0.37 -4.65 118.95 125.28 2pdz s ARG 2 Ca 0.00 -1.35 -0.14 0.00 -0.13 0.00 0.00 55.73 54.11 2pdz s ARG 2 Cb 0.00 0.50 0.06 0.00 -1.56 0.00 0.00 34.95 33.94 2pdz s ARG 2 CO 0.00 -0.74 0.49 -0.98 -0.81 0.00 0.00 175.30 173.27 2pdz s ARG 3 N -3.62 0.53 -0.03 5.12 1.04 -1.26 -1.69 118.95 119.04 2pdz s ARG 3 Ca 0.22 0.79 -0.03 0.00 -1.04 0.00 0.00 55.73 55.68 2pdz s ARG 3 Cb -0.02 0.16 0.01 0.00 -2.04 0.00 0.00 34.95 33.07 2pdz s ARG 3 CO 0.11 -0.11 0.08 0.08 -0.04 0.00 0.00 175.30 175.43 2pdz s VAL 4 N 0.81 -0.01 -0.22 4.99 1.01 -0.66 -4.91 120.40 121.41 2pdz s VAL 4 Ca -0.04 0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.00 2pdz s VAL 4 Cb -0.05 -0.13 0.04 0.00 0.00 0.00 0.00 36.38 36.24 2pdz s VAL 4 CO -0.06 0.02 -0.13 -0.89 0.00 0.00 0.00 175.10 174.03 2pdz s THR 5 N 0.30 2.01 -0.26 3.92 2.01 -1.26 0.34 115.64 122.70 2pdz s THR 5 Ca -0.02 -1.28 -0.08 0.00 0.31 0.00 0.00 61.69 60.62 2pdz s THR 5 Cb -0.03 -2.02 -0.03 0.00 0.01 0.00 0.00 72.50 70.43 2pdz s THR 5 CO -0.01 0.19 0.09 -0.69 -0.69 0.00 0.00 174.62 173.50 2pdz s VAL 6 N 1.23 4.41 -0.24 3.82 1.01 -0.25 -4.90 120.40 125.47 2pdz s VAL 6 Ca -0.03 -0.18 -0.13 0.00 0.00 0.00 0.00 61.98 61.65 2pdz s VAL 6 Cb -0.17 -3.09 -0.05 0.00 0.00 0.00 0.00 36.38 33.08 2pdz s VAL 6 CO -0.08 0.30 0.25 -0.13 0.00 0.00 0.00 175.10 175.44 2pdz s ARG 7 N 1.62 4.06 0.33 2.72 3.00 -1.26 -0.40 118.95 129.03 2pdz s ARG 7 Ca 0.06 -0.12 0.03 0.00 0.00 0.00 0.00 55.73 55.70 2pdz s ARG 7 Cb -0.15 -3.58 -0.05 0.00 0.00 0.00 0.00 34.95 31.17 2pdz s ARG 7 CO 0.04 -0.06 0.10 -1.59 0.00 0.00 0.00 175.30 173.80 2pdz s LYS 8 N 1.40 1.67 -0.23 3.54 -2.85 -0.56 -4.98 119.74 117.73 2pdz s LYS 8 Ca 0.11 -1.96 -0.26 0.00 -1.00 0.00 0.00 55.97 52.86 2pdz s LYS 8 Cb -0.15 -0.53 0.10 0.00 -2.06 0.00 0.00 37.83 35.19 2pdz s LYS 8 CO 0.07 -0.34 0.86 0.00 0.10 0.00 0.00 175.35 176.04 2pdz s ALA 9 N -3.43 -1.87 0.40 0.59 0.00 -1.26 -4.62 121.76 111.57 2pdz s ALA 9 Ca 0.33 1.82 0.00 0.00 0.00 0.00 0.00 51.96 54.11 2pdz s ALA 9 Cb 0.06 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 22.13 2pdz s ALA 9 CO 0.15 -0.30 0.00 -3.47 0.00 0.00 0.00 175.76 172.14 2pdz n ASP 10 N 2.03 -8.45 -1.97 0.00 2.03 -1.26 -4.97 116.55 103.96 2pdz n ASP 10 Ca -0.14 1.19 0.00 0.00 0.52 0.00 0.00 54.79 56.36 2pdz n ASP 10 Cb 0.56 -4.40 0.00 0.00 -0.72 0.00 0.00 41.12 36.56 2pdz n ASP 10 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2pdz n ALA 11 N -0.09 -2.08 -1.80 -1.67 0.00 -1.26 -4.68 120.51 108.93 2pdz n ALA 11 Ca 0.00 0.46 -0.40 0.00 0.00 0.00 0.00 53.44 53.50 2pdz n ALA 11 Cb 0.00 -1.42 -0.01 0.00 0.00 0.00 0.00 19.45 18.02 2pdz n ALA 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pdz n GLY 12 N 1.59 4.75 3.14 0.00 0.00 -1.26 -4.85 105.19 108.56 2pdz n GLY 12 Ca 0.00 -1.84 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 2pdz n GLY 12 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2pdz s GLY 13 N 1.32 2.17 0.14 -0.02 0.00 -1.26 -4.89 107.32 104.78 2pdz s GLY 13 Ca 0.56 -2.77 0.22 0.00 0.00 0.00 0.00 44.72 42.73 2pdz s GLY 13 CO -0.07 1.08 0.89 -0.10 0.00 0.00 0.00 173.10 174.90 2pdz n LEU 14 N 4.33 0.62 -2.77 0.66 0.00 -1.26 -3.92 117.00 114.65 2pdz n LEU 14 Ca -0.00 0.24 -0.00 0.00 0.00 0.00 0.00 56.01 56.24 2pdz n LEU 14 Cb 0.40 -0.04 0.00 0.00 0.00 0.00 0.00 43.42 43.78 2pdz n LEU 14 CO 0.36 -0.14 -0.49 0.61 0.00 0.00 0.00 177.39 177.73 2pdz n GLY 15 N 1.20 -3.82 3.31 -3.96 0.00 -1.26 -2.10 105.19 98.56 2pdz n GLY 15 Ca -0.01 0.44 0.03 0.00 0.00 0.00 0.00 46.02 46.47 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 -1.59 -0.23 -0.58 -0.61 2.07 -1.26 -3.67 121.20 115.33 2pdz s ILE 16 Ca 0.01 0.00 -0.05 0.00 -1.41 0.00 0.00 60.65 59.20 2pdz s ILE 16 Cb -0.00 -1.00 0.15 0.00 0.13 0.00 0.00 42.46 41.74 2pdz s ILE 16 CO 0.71 0.00 0.41 -0.55 -1.91 0.00 0.00 174.94 173.60 2pdz s SER 17 N 2.14 5.46 0.47 4.50 0.15 0.08 -4.97 113.70 121.52 2pdz s SER 17 Ca -0.01 -2.55 -0.21 0.00 0.70 0.00 0.00 55.95 53.87 2pdz s SER 17 Cb -0.03 -1.91 -0.08 0.00 -1.71 0.00 0.00 66.02 62.29 2pdz s SER 17 CO -0.16 -0.47 1.07 0.27 1.20 0.00 0.00 173.24 175.15 2pdz s ILE 18 N 0.39 3.60 0.01 6.45 -4.36 -1.26 -1.03 121.20 125.00 2pdz s ILE 18 Ca 0.14 1.07 0.01 0.00 -0.26 0.00 0.00 60.65 61.61 2pdz s ILE 18 Cb -0.21 -3.47 -0.01 0.00 1.25 0.00 0.00 42.46 40.02 2pdz s ILE 18 CO -0.04 -0.14 -0.05 -0.54 0.24 0.00 0.00 174.94 174.41 2pdz s LYS 19 N -3.01 0.40 0.00 0.37 1.02 0.28 -4.77 119.74 114.03 2pdz s LYS 19 Ca 0.66 -0.40 0.00 0.00 0.02 0.00 0.00 55.97 56.24 2pdz s LYS 19 Cb -0.20 -0.27 0.00 0.00 -0.52 0.00 0.00 37.83 36.84 2pdz s LYS 19 CO 0.24 0.06 0.00 0.41 -0.92 0.00 0.00 175.35 175.14 2pdz n GLY 20 N 2.32 0.87 0.00 -3.33 0.00 -1.26 -0.33 105.19 103.46 2pdz n GLY 20 Ca -0.17 -1.90 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 2.75 0.19 -0.02 0.00 -1.26 -4.67 105.19 102.18 2pdz n GLY 21 Ca 0.00 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.74 0.59 114.38 117.27 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 -1.91 -1.51 0.00 0.00 179.97 176.55 2pdz n GLU 23 N -2.38 0.21 -0.33 0.20 0.00 -1.26 -3.00 120.64 114.07 2pdz n GLU 23 Ca -0.02 0.29 0.08 0.00 0.00 0.00 0.00 57.16 57.51 2pdz n GLU 23 Cb 0.06 -1.80 0.16 0.00 0.00 0.00 0.00 31.44 29.86 2pdz n GLU 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 2pdz n ASN 24 N -2.17 1.99 -3.20 4.31 3.02 0.19 -5.01 115.26 114.39 2pdz n ASN 24 Ca 0.04 -3.37 -0.10 0.00 -0.03 0.00 0.00 54.58 51.12 2pdz n ASN 24 Cb 0.33 -0.46 0.01 0.00 -0.61 0.00 0.00 39.78 39.05 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 -1.22 -1.67 -3.68 3.52 3.00 -1.16 -4.94 118.16 112.02 2pdz n LYS 25 Ca 0.17 1.49 -0.10 0.00 -0.00 0.00 0.00 58.31 59.86 2pdz n LYS 25 Cb 0.67 -4.73 -0.11 0.00 0.00 0.00 0.00 35.03 30.86 2pdz n LYS 25 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.40 178.81 2pdz s MET 26 N -3.24 0.30 -0.02 1.64 1.75 -1.21 -4.99 119.30 113.53 2pdz s MET 26 Ca 0.09 0.86 -0.04 0.00 -1.25 0.00 0.00 55.69 55.35 2pdz s MET 26 Cb -0.02 0.11 -0.17 0.00 2.84 0.00 0.00 34.83 37.59 2pdz s MET 26 CO 0.79 -0.22 2.54 -0.35 -0.65 0.00 0.00 175.02 177.13 2pdz n PRO 27 N 4.93 1.33 -3.13 4.11 -0.04 -1.26 -4.06 135.00 136.88 2pdz n PRO 27 Ca -0.14 -0.67 -0.01 0.00 -0.04 0.00 0.00 63.50 62.63 2pdz n PRO 27 Cb 0.52 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 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 2.71 -3.60 -3.59 0.52 2.08 -1.26 -2.06 119.36 114.15 2pdz n ILE 28 Ca 0.29 0.69 -0.37 0.00 0.56 0.00 0.00 62.75 63.92 2pdz n ILE 28 Cb 0.59 -3.62 -0.07 0.00 -0.75 0.00 0.00 39.64 35.79 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 -1.15 4.29 0.24 1.39 1.43 0.55 -1.08 118.68 124.37 2pdz s LEU 29 Ca 0.01 0.55 -0.30 0.00 -1.03 0.00 0.00 54.13 53.36 2pdz s LEU 29 Cb -0.00 -2.34 -0.10 0.00 0.03 0.00 0.00 46.19 43.78 2pdz s LEU 29 CO 0.15 0.18 1.36 -0.63 0.23 0.00 0.00 176.35 177.64 2pdz s ILE 30 N 0.03 2.91 -0.04 -0.59 1.01 -0.50 0.10 121.20 124.12 2pdz s ILE 30 Ca 0.17 0.78 0.02 0.00 0.00 0.00 0.00 60.65 61.61 2pdz s ILE 30 Cb -0.13 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 2pdz s ILE 30 CO 0.05 0.13 -0.02 -0.24 0.00 0.00 0.00 174.94 174.86 2pdz n SER 31 N 2.22 3.80 -3.83 3.58 2.88 -0.20 0.10 113.62 122.17 2pdz n SER 31 Ca 0.05 -0.02 -0.30 0.00 -1.33 0.00 0.00 58.87 57.28 2pdz n SER 31 Cb 0.42 0.19 -0.15 0.00 -0.75 0.00 0.00 64.21 63.91 2pdz n SER 31 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 2pdz s LYS 32 N -2.09 1.08 -0.72 -1.46 1.02 -1.07 -4.79 119.74 111.70 2pdz s LYS 32 Ca -0.05 -1.02 -0.20 0.00 0.02 0.00 0.00 55.97 54.72 2pdz s LYS 32 Cb 0.01 -2.35 0.10 0.00 -0.52 0.00 0.00 37.83 35.08 2pdz s LYS 32 CO 0.13 -0.79 0.93 0.42 -0.92 0.00 0.00 175.35 175.12 2pdz s ILE 33 N 1.51 4.59 0.26 2.17 -1.09 -1.26 -0.75 121.20 126.62 2pdz s ILE 33 Ca 0.03 -0.89 -0.30 0.00 -2.23 0.00 0.00 60.65 57.26 2pdz s ILE 33 Cb -0.18 -4.65 -0.11 0.00 -1.58 0.00 0.00 42.46 35.94 2pdz s ILE 33 CO -0.14 -1.38 1.58 -0.36 -1.23 0.00 0.00 174.94 173.41 2pdz s PHE 34 N 3.26 2.86 0.94 3.97 0.08 -1.24 -4.90 117.98 122.96 2pdz s PHE 34 Ca 0.22 0.75 -0.15 0.00 0.12 0.00 0.00 56.93 57.87 2pdz s PHE 34 Cb -0.16 -4.01 0.18 0.00 -0.57 0.00 0.00 43.02 38.46 2pdz s PHE 34 CO 0.04 -3.48 1.27 0.21 -0.10 0.00 0.00 175.22 173.15 2pdz s LYS 35 N -0.07 0.82 -1.97 0.44 2.20 -1.26 -3.95 119.74 115.94 2pdz s LYS 35 Ca 0.65 -0.24 0.00 0.00 -0.36 0.00 0.00 55.97 56.01 2pdz s LYS 35 Cb -0.46 -1.85 0.00 0.00 -1.51 0.00 0.00 37.83 34.01 2pdz s LYS 35 CO 0.43 -2.32 0.00 0.41 -0.36 0.00 0.00 175.35 173.51 2pdz n GLY 36 N -3.40 0.71 3.18 5.54 0.00 -1.26 -4.95 105.19 105.00 2pdz n GLY 36 Ca 0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -5.39 2.50 0.13 0.99 1.43 -1.25 -5.01 118.68 112.08 2pdz s LEU 37 Ca 0.00 -0.98 -0.32 0.00 -1.03 0.00 0.00 54.13 51.80 2pdz s LEU 37 Cb 0.00 -0.14 -0.09 0.00 0.03 0.00 0.00 46.19 45.99 2pdz s LEU 37 CO 0.00 -0.42 1.56 0.00 0.23 0.00 0.00 176.35 177.72 2pdz h ALA 38 N 3.01 -0.74 -0.81 4.21 0.00 -1.68 0.62 119.26 123.88 2pdz h ALA 38 Ca -0.36 -0.01 0.19 0.00 0.00 0.00 0.00 54.91 54.73 2pdz h ALA 38 Cb 1.17 1.00 -0.12 0.00 0.00 0.00 0.00 17.79 19.85 2pdz h ALA 38 CO 0.63 -1.02 0.26 0.00 0.00 0.00 0.00 179.25 179.12 2pdz h ALA 39 N -0.03 1.15 -0.58 0.00 0.00 -1.63 0.21 119.26 118.38 2pdz h ALA 39 Ca 0.07 0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2pdz h ALA 39 Cb 0.63 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2pdz h ALA 39 CO -0.51 -0.35 0.00 -3.47 0.00 0.00 0.00 179.25 174.92 2pdz n ASP 40 N -5.12 3.36 -0.33 0.00 -0.08 -0.54 -3.23 116.55 110.61 2pdz n ASP 40 Ca 0.18 -2.08 0.07 0.00 -1.51 0.00 0.00 54.79 51.44 2pdz n ASP 40 Cb 0.55 -0.43 -0.00 0.00 2.34 0.00 0.00 41.12 43.58 2pdz n ASP 40 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2pdz n GLN 41 N 1.15 1.78 -0.45 -0.67 6.02 0.21 -4.39 117.38 121.03 2pdz n GLN 41 Ca 0.20 -0.75 0.08 0.00 -0.01 0.00 0.00 57.00 56.53 2pdz n GLN 41 Cb 0.56 -1.22 0.28 0.00 1.02 0.00 0.00 30.24 30.88 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 -0.17 1.68 -3.96 5.09 5.66 -1.07 -4.97 114.28 116.54 2pdz n THR 42 Ca 0.06 -1.29 -0.31 0.00 -3.05 0.00 0.00 64.05 59.46 2pdz n THR 42 Cb 0.30 0.16 -0.01 0.00 -1.55 0.00 0.00 70.33 69.23 2pdz n THR 42 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2pdz n GLU 43 N 0.62 -1.98 0.00 1.09 1.02 -1.26 -4.72 120.64 115.42 2pdz n GLU 43 Ca 0.21 0.32 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 2pdz n GLU 43 Cb 0.76 -3.98 0.00 0.00 -0.02 0.00 0.00 31.44 28.20 2pdz n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2pdz n ALA 44 N -4.48 0.00 -2.20 0.62 0.00 -1.26 -5.01 120.51 108.18 2pdz n ALA 44 Ca -0.23 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 52.90 2pdz n ALA 44 Cb 0.65 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.05 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 -4.64 3.26 0.10 0.00 2.96 -1.20 -4.92 118.68 114.25 2pdz s LEU 45 Ca 0.00 -1.13 0.07 0.00 -0.22 0.00 0.00 54.13 52.85 2pdz s LEU 45 Cb 0.00 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 2pdz s LEU 45 CO 0.00 -2.43 -0.11 0.72 -1.32 0.00 0.00 176.35 173.21 2pdz s PHE 46 N 8.76 2.72 0.73 5.38 -0.12 -1.26 -4.36 117.98 129.83 2pdz s PHE 46 Ca 0.64 -0.16 -0.17 0.00 -0.05 0.00 0.00 56.93 57.19 2pdz s PHE 46 Cb -0.03 -1.43 -0.08 0.00 -0.63 0.00 0.00 43.02 40.85 2pdz s PHE 46 CO 0.00 0.42 0.18 0.28 -0.05 0.00 0.00 175.22 176.05 2pdz n VAL 47 N 0.77 1.04 -1.76 -2.49 0.31 -1.26 -3.12 118.33 111.81 2pdz n VAL 47 Ca -0.14 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.77 2pdz n VAL 47 Cb 0.52 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 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 2.10 0.46 3.14 2.92 0.00 0.12 -4.93 105.19 109.00 2pdz n GLY 48 Ca 0.08 -0.86 -0.36 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.94 5.16 -0.52 1.61 1.01 -1.18 -0.81 116.67 118.98 2pdz s ASP 49 Ca 0.00 -1.77 -0.28 0.00 0.71 0.00 0.00 52.55 51.21 2pdz s ASP 49 Cb 0.00 -1.80 0.03 0.00 1.01 0.00 0.00 42.92 42.16 2pdz s ASP 49 CO 0.00 -0.45 1.15 0.00 0.21 0.00 0.00 175.17 176.08 2pdz s ALA 50 N 1.18 3.09 0.15 5.23 0.00 -1.03 -1.41 121.76 128.97 2pdz s ALA 50 Ca 0.04 -0.65 -0.30 0.00 0.00 0.00 0.00 51.96 51.05 2pdz s ALA 50 Cb -0.22 -3.95 -0.07 0.00 0.00 0.00 0.00 23.12 18.89 2pdz s ALA 50 CO -0.03 -2.43 1.11 0.42 0.00 0.00 0.00 175.76 174.83 2pdz s ILE 51 N 4.64 3.93 -0.08 0.00 1.01 -0.24 0.99 121.20 131.46 2pdz s ILE 51 Ca 0.45 1.60 0.08 0.00 0.00 0.00 0.00 60.65 62.78 2pdz s ILE 51 Cb -0.07 -4.02 0.13 0.00 0.01 0.00 0.00 42.46 38.51 2pdz s ILE 51 CO 0.29 0.24 1.07 0.18 0.00 0.00 0.00 174.94 176.72 2pdz n LEU 52 N 2.70 2.20 0.00 2.97 7.99 -0.71 -4.48 117.00 127.67 2pdz n LEU 52 Ca 0.04 -2.44 0.00 0.00 -0.01 0.00 0.00 56.01 53.60 2pdz n LEU 52 Cb 0.46 -0.18 0.00 0.00 -0.11 0.00 0.00 43.42 43.59 2pdz n LEU 52 CO 0.54 0.59 0.00 -0.24 -1.51 0.00 0.00 177.39 176.77 2pdz n SER 53 N -0.83 0.00 -3.75 -1.43 2.88 -1.26 -0.84 113.62 108.39 2pdz n SER 53 Ca 0.07 0.00 -0.18 0.00 -1.33 0.00 0.00 58.87 57.43 2pdz n SER 53 Cb 0.42 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.71 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 -1.63 0.05 -1.30 2.46 -7.23 -1.00 -2.07 120.40 109.68 2pdz s VAL 54 Ca 0.00 0.24 0.00 0.00 -1.81 0.00 0.00 61.98 60.41 2pdz s VAL 54 Cb 0.00 -0.22 0.00 0.00 0.56 0.00 0.00 36.38 36.72 2pdz s VAL 54 CO 0.00 0.16 0.00 0.59 -0.31 0.00 0.00 175.10 175.54 2pdz n ASN 55 N 4.67 -5.46 0.00 4.85 5.03 0.29 -1.65 115.26 122.99 2pdz n ASN 55 Ca -0.16 0.30 0.00 0.00 0.87 0.00 0.00 54.58 55.59 2pdz n ASN 55 Cb 0.50 -4.17 0.00 0.00 -1.02 0.00 0.00 39.78 35.09 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 0.15 1.62 3.64 7.41 0.00 -1.26 -4.87 105.19 111.89 2pdz n GLY 56 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.65 2pdz n GLY 56 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pdz s GLU 57 N -0.38 2.08 -0.25 1.61 0.41 -0.66 -5.11 118.70 116.40 2pdz s GLU 57 Ca 0.00 -1.81 -0.07 0.00 -0.41 0.00 0.00 54.97 52.69 2pdz s GLU 57 Cb 0.00 -1.90 -0.02 0.00 -1.78 0.00 0.00 34.13 30.43 2pdz s GLU 57 CO 0.00 0.08 0.05 -0.51 -0.49 0.00 0.00 175.26 174.39 2pdz s ASP 58 N -3.74 5.01 0.00 -0.19 1.11 -1.26 -2.38 116.67 115.21 2pdz s ASP 58 Ca 0.36 -0.28 0.20 0.00 0.18 0.00 0.00 52.55 53.01 2pdz s ASP 58 Cb 0.02 -1.89 -0.20 0.00 1.07 0.00 0.00 42.92 41.91 2pdz s ASP 58 CO 0.20 -0.05 0.87 0.18 1.18 0.00 0.00 175.17 177.55 2pdz n LEU 59 N 4.90 1.04 -0.09 1.23 7.99 -0.02 -4.37 117.00 127.68 2pdz n LEU 59 Ca -0.16 -0.52 0.26 0.00 -0.01 0.00 0.00 56.01 55.57 2pdz n LEU 59 Cb 0.51 0.00 0.72 0.00 -0.11 0.00 0.00 43.42 44.54 2pdz n LEU 59 CO 0.31 0.25 1.23 0.28 -1.51 0.00 0.00 177.39 177.95 2pdz h SER 60 N 0.21 0.00 -1.26 -1.43 0.02 -1.83 -1.34 113.55 107.93 2pdz h SER 60 Ca 0.00 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.38 2pdz h SER 60 Cb 0.50 0.00 -0.42 0.00 0.14 0.00 0.00 62.40 62.61 2pdz h SER 60 CO 0.00 0.00 -0.77 -1.20 -1.14 0.00 0.00 176.83 173.72 2pdz n SER 61 N -4.12 4.67 -4.15 3.07 7.64 -1.26 -5.02 113.62 114.46 2pdz n SER 61 Ca 0.15 -3.69 -0.12 0.00 1.01 0.00 0.00 58.87 56.22 2pdz n SER 61 Cb 0.85 -0.42 -0.10 0.00 -1.01 0.00 0.00 64.21 63.53 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 -3.55 0.90 0.61 -0.43 0.00 -0.51 -5.14 121.76 113.64 2pdz s ALA 62 Ca 0.48 -1.20 -0.04 0.00 0.00 0.00 0.00 51.96 51.20 2pdz s ALA 62 Cb 0.40 0.12 0.03 0.00 0.00 0.00 0.00 23.12 23.68 2pdz s ALA 62 CO -0.11 -0.16 0.90 0.95 0.00 0.00 0.00 175.76 177.33 2pdz s THR 63 N -2.98 2.96 0.61 0.00 -4.23 -1.26 -4.23 115.64 106.50 2pdz s THR 63 Ca 0.06 -0.28 0.29 0.00 -1.18 0.00 0.00 61.69 60.58 2pdz s THR 63 Cb 0.01 -3.19 0.36 0.00 1.34 0.00 0.00 72.50 71.02 2pdz s THR 63 CO -0.03 -0.18 1.95 -0.74 -0.54 0.00 0.00 174.62 175.08 2pdz h HIS 64 N -0.24 0.00 0.03 3.99 2.76 -1.88 0.19 115.15 120.00 2pdz h HIS 64 Ca -0.44 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 57.45 2pdz h HIS 64 Cb 1.29 0.00 0.02 0.00 1.55 0.00 0.00 27.41 30.27 2pdz h HIS 64 CO 0.40 0.00 -1.10 -0.44 -1.30 0.00 0.00 177.93 175.49 2pdz h ASP 65 N 0.00 0.91 0.59 3.26 5.19 -1.94 -2.31 116.42 122.12 2pdz h ASP 65 Ca 0.14 -0.76 -0.05 0.00 -0.62 0.00 0.00 57.03 55.74 2pdz h ASP 65 Cb 0.89 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 40.11 2pdz h ASP 65 CO -0.00 1.56 -0.24 -0.33 -3.12 0.00 0.00 179.24 177.10 2pdz h GLU 66 N 0.37 0.00 0.12 3.56 4.39 -1.01 -1.36 114.58 120.65 2pdz h GLU 66 Ca -0.15 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.37 2pdz h GLU 66 Cb 1.75 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.43 2pdz h GLU 66 CO 0.21 0.24 -0.81 0.00 -1.16 0.00 0.00 179.01 177.50 2pdz h ALA 67 N 1.76 -0.07 -0.02 3.43 0.00 -1.23 -3.25 119.26 119.87 2pdz h ALA 67 Ca -0.00 -0.68 -0.10 0.00 0.00 0.00 0.00 54.91 54.13 2pdz h ALA 67 Cb 0.60 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2pdz h ALA 67 CO 0.03 0.38 -0.45 0.28 0.00 0.00 0.00 179.25 179.50 2pdz h VAL 68 N -0.31 1.32 -0.88 0.00 2.07 -1.31 -2.56 116.25 114.58 2pdz h VAL 68 Ca -0.14 -1.55 0.08 0.00 0.82 0.00 0.00 66.70 65.92 2pdz h VAL 68 Cb 1.61 1.81 -0.06 0.00 -1.52 0.00 0.00 31.29 33.13 2pdz h VAL 68 CO 0.15 0.45 0.57 -0.61 0.02 0.00 0.00 177.57 178.15 2pdz h GLN 69 N 0.04 0.89 0.00 1.57 -0.00 -1.31 0.18 115.11 116.49 2pdz h GLN 69 Ca -0.00 -0.05 -0.09 0.00 -0.00 0.00 0.00 58.65 58.51 2pdz h GLN 69 Cb 0.81 -0.20 -0.01 0.00 0.00 0.00 0.00 27.48 28.07 2pdz h GLN 69 CO 0.06 0.59 -0.41 0.00 0.00 0.00 0.00 178.83 179.07 2pdz h ALA 70 N 1.54 0.91 0.00 3.38 0.00 -1.50 -2.92 119.26 120.67 2pdz h ALA 70 Ca 0.39 -0.37 -0.13 0.00 0.00 0.00 0.00 54.91 54.80 2pdz h ALA 70 Cb 0.32 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2pdz h ALA 70 CO -0.16 0.51 -0.60 -0.07 0.00 0.00 0.00 179.25 178.94 2pdz h LEU 71 N 0.00 0.00 0.03 0.00 -0.00 -0.55 -2.15 115.31 112.64 2pdz h LEU 71 Ca -0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.88 57.67 2pdz h LEU 71 Cb 1.02 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 41.70 2pdz h LEU 71 CO 0.05 0.60 -0.84 0.11 -0.00 0.00 0.00 178.44 178.36 2pdz h LYS 72 N 0.00 0.51 -0.75 1.13 1.57 -0.96 -3.21 116.57 114.85 2pdz h LYS 72 Ca -0.01 -0.60 -0.09 0.00 -1.87 0.00 0.00 60.65 58.09 2pdz h LYS 72 Cb 1.22 0.18 -0.05 0.00 0.08 0.00 0.00 32.23 33.66 2pdz h LYS 72 CO 0.08 1.22 0.11 1.63 -0.57 0.00 0.00 179.45 181.92 2pdz n LYS 73 N -4.05 3.54 -1.64 3.15 4.76 -1.12 -4.97 118.16 117.83 2pdz n LYS 73 Ca -0.11 -2.38 -0.47 0.00 -2.87 0.00 0.00 58.31 52.48 2pdz n LYS 73 Cb 0.79 -2.05 -0.04 0.00 -1.84 0.00 0.00 35.03 31.90 2pdz n LYS 73 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 2pdz n THR 74 N 0.20 0.50 -2.18 -0.18 -1.04 -0.81 -4.97 114.28 105.81 2pdz n THR 74 Ca 0.27 -0.13 -0.28 0.00 -2.04 0.00 0.00 64.05 61.88 2pdz n THR 74 Cb 1.07 -1.29 0.16 0.00 -1.82 0.00 0.00 70.33 68.45 2pdz n THR 74 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2pdz s GLY 75 N 0.46 1.78 0.47 3.41 0.00 -1.26 -4.92 107.32 107.25 2pdz s GLY 75 Ca 0.75 -1.42 0.21 0.00 0.00 0.00 0.00 44.72 44.26 2pdz s GLY 75 CO 0.46 -0.71 1.91 0.07 0.00 0.00 0.00 173.10 174.82 2pdz h LYS 76 N -1.26 0.24 -4.49 2.90 2.10 -1.93 -3.34 116.57 110.78 2pdz h LYS 76 Ca -0.41 -0.01 -0.72 0.00 -2.00 0.00 0.00 60.65 57.50 2pdz h LYS 76 Cb 1.24 -0.05 -0.23 0.00 -0.90 0.00 0.00 32.23 32.29 2pdz h LYS 76 CO 0.38 0.16 -0.44 -2.00 -2.00 0.00 0.00 179.45 175.54 2pdz s GLU 77 N -5.25 2.90 -1.08 0.07 2.12 -1.26 -1.50 118.70 114.70 2pdz s GLU 77 Ca -0.07 -1.12 -0.12 0.00 0.36 0.00 0.00 54.97 54.03 2pdz s GLU 77 Cb 0.21 -3.91 0.24 0.00 0.26 0.00 0.00 34.13 30.93 2pdz s GLU 77 CO 0.77 -0.79 1.13 0.08 -0.54 0.00 0.00 175.26 175.91 2pdz s VAL 78 N 1.62 5.65 -0.50 3.70 1.01 0.47 -4.76 120.40 127.59 2pdz s VAL 78 Ca 0.04 -2.98 -0.29 0.00 0.00 0.00 0.00 61.98 58.75 2pdz s VAL 78 Cb -0.20 -4.66 0.02 0.00 0.00 0.00 0.00 36.38 31.54 2pdz s VAL 78 CO 0.08 -1.28 1.26 -0.69 0.00 0.00 0.00 175.10 174.47 2pdz s VAL 79 N -0.15 4.03 -0.28 2.92 1.01 -1.26 -1.10 120.40 125.57 2pdz s VAL 79 Ca 0.31 1.00 0.02 0.00 0.00 0.00 0.00 61.98 63.31 2pdz s VAL 79 Cb -0.08 -4.51 0.06 0.00 0.00 0.00 0.00 36.38 31.85 2pdz s VAL 79 CO -0.06 -1.04 -0.07 -0.76 0.00 0.00 0.00 175.10 173.16 2pdz s LEU 80 N 5.05 3.67 0.26 3.92 1.02 0.15 0.11 118.68 132.87 2pdz s LEU 80 Ca 0.51 -1.44 -0.29 0.00 0.02 0.00 0.00 54.13 52.93 2pdz s LEU 80 Cb -0.09 -1.60 -0.09 0.00 0.02 0.00 0.00 46.19 44.43 2pdz s LEU 80 CO 0.30 -0.23 1.22 -0.70 0.02 0.00 0.00 176.35 176.96 2pdz s GLU 81 N 1.12 4.48 0.01 1.70 2.12 -0.88 -1.66 118.70 125.60 2pdz s GLU 81 Ca -0.06 1.98 0.00 0.00 0.36 0.00 0.00 54.97 57.25 2pdz s GLU 81 Cb -0.20 -3.17 -0.01 0.00 0.26 0.00 0.00 34.13 31.01 2pdz s GLU 81 CO -0.04 -0.05 -0.03 0.54 -0.54 0.00 0.00 175.26 175.14 2pdz s VAL 82 N -0.68 0.14 -0.76 3.70 0.11 -0.68 -1.74 120.40 120.49 2pdz s VAL 82 Ca 0.50 -0.55 -0.07 0.00 -2.93 0.00 0.00 61.98 58.92 2pdz s VAL 82 Cb -0.35 -0.22 0.20 0.00 -1.53 0.00 0.00 36.38 34.48 2pdz s VAL 82 CO 0.43 -0.26 0.64 -0.75 -3.33 0.00 0.00 175.10 171.83 2pdz s LYS 83 N -0.85 3.14 -0.18 1.54 2.36 0.28 0.14 119.74 126.17 2pdz s LYS 83 Ca -0.08 -2.63 -0.33 0.00 -2.55 0.00 0.00 55.97 50.38 2pdz s LYS 83 Cb -0.06 -4.07 -0.10 0.00 -1.05 0.00 0.00 37.83 32.55 2pdz s LYS 83 CO -0.00 -1.23 2.06 0.98 1.55 0.00 0.00 175.35 178.70 2pdz n TYR 84 N 3.49 2.06 -2.00 4.03 4.19 -1.26 -2.47 117.16 125.20 2pdz n TYR 84 Ca 0.13 0.01 -0.40 0.00 3.31 0.00 0.00 57.90 60.95 2pdz n TYR 84 Cb 0.41 -2.66 0.04 0.00 0.49 0.00 0.00 39.34 37.62 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 7.68 3.01 0.00 2.98 2.81 0.01 -4.86 117.12 128.75 2pdz n MET 85 Ca 0.29 -3.64 0.15 0.00 -1.81 0.00 0.00 57.70 52.69 2pdz n MET 85 Cb 0.33 -2.29 0.71 0.00 -0.71 0.00 0.00 33.22 31.26 2pdz n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65