#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 0.57 -0.05 2.89 6.06 0.44 -4.39 118.95 124.47 2pdz s ARG 2 Ca 0.00 0.44 0.07 0.00 -2.50 0.00 0.00 55.73 53.74 2pdz s ARG 2 Cb 0.00 0.28 -0.01 0.00 0.06 0.00 0.00 34.95 35.27 2pdz s ARG 2 CO 0.00 -0.12 -0.25 1.03 -2.50 0.00 0.00 175.30 173.46 2pdz s ARG 3 N -0.29 2.42 0.06 5.12 0.52 -1.26 0.75 118.95 126.26 2pdz s ARG 3 Ca 0.01 -0.91 -0.04 0.00 -0.52 0.00 0.00 55.73 54.26 2pdz s ARG 3 Cb -0.03 -2.13 -0.02 0.00 0.52 0.00 0.00 34.95 33.29 2pdz s ARG 3 CO -0.02 0.44 0.06 0.08 0.02 0.00 0.00 175.30 175.87 2pdz s VAL 4 N -0.30 0.19 -0.06 3.52 1.01 -0.68 -4.92 120.40 119.16 2pdz s VAL 4 Ca 0.01 -1.53 -0.09 0.00 0.00 0.00 0.00 61.98 60.36 2pdz s VAL 4 Cb -0.13 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.87 2pdz s VAL 4 CO 0.02 -0.85 0.23 -0.89 0.00 0.00 0.00 175.10 173.62 2pdz s THR 5 N -3.80 0.02 -0.13 3.92 2.01 -1.26 0.85 115.64 117.26 2pdz s THR 5 Ca 0.05 -0.20 -0.01 0.00 0.31 0.00 0.00 61.69 61.84 2pdz s THR 5 Cb 0.06 -0.40 0.03 0.00 0.01 0.00 0.00 72.50 72.20 2pdz s THR 5 CO -0.10 -0.11 -0.05 -0.69 -0.69 0.00 0.00 174.62 172.97 2pdz s VAL 6 N -0.38 0.96 -0.74 3.82 1.01 0.14 -4.89 120.40 120.31 2pdz s VAL 6 Ca -0.05 -0.36 -0.19 0.00 0.00 0.00 0.00 61.98 61.38 2pdz s VAL 6 Cb -0.03 -1.06 0.12 0.00 0.00 0.00 0.00 36.38 35.40 2pdz s VAL 6 CO 0.01 0.25 0.91 -0.13 0.00 0.00 0.00 175.10 176.14 2pdz s ARG 7 N 1.72 3.29 -0.25 2.72 0.52 -1.26 -0.05 118.95 125.64 2pdz s ARG 7 Ca 0.03 -1.45 -0.38 0.00 -0.52 0.00 0.00 55.73 53.41 2pdz s ARG 7 Cb -0.14 -4.48 -0.14 0.00 0.52 0.00 0.00 34.95 30.71 2pdz s ARG 7 CO -0.08 -1.66 1.82 1.63 0.02 0.00 0.00 175.30 177.03 2pdz n LYS 8 N 6.50 1.37 -2.87 3.54 4.76 -0.97 -4.89 118.16 125.61 2pdz n LYS 8 Ca 0.05 0.50 -0.42 0.00 -2.87 0.00 0.00 58.31 55.56 2pdz n LYS 8 Cb 0.46 -2.25 -0.04 0.00 -1.84 0.00 0.00 35.03 31.35 2pdz n LYS 8 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2pdz s ALA 9 N 4.01 3.60 -1.60 7.82 0.00 -1.26 -3.77 121.76 130.56 2pdz s ALA 9 Ca 0.98 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.73 2pdz s ALA 9 Cb -0.97 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 18.81 2pdz s ALA 9 CO 0.61 -1.08 0.00 -0.25 0.00 0.00 0.00 175.76 175.04 2pdz n ASP 10 N 6.17 -4.17 -2.78 0.00 9.92 -1.26 -3.81 116.55 120.62 2pdz n ASP 10 Ca 0.06 0.34 -0.03 0.00 -0.53 0.00 0.00 54.79 54.63 2pdz n ASP 10 Cb 0.48 -3.77 -0.03 0.00 -0.64 0.00 0.00 41.12 37.16 2pdz n ASP 10 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2pdz n ALA 11 N 0.34 -2.86 -1.16 2.24 0.00 -1.25 -5.03 120.51 112.79 2pdz n ALA 11 Ca -0.16 1.46 0.00 0.00 0.00 0.00 0.00 53.44 54.74 2pdz n ALA 11 Cb 0.53 -3.02 0.00 0.00 0.00 0.00 0.00 19.45 16.96 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 1.82 0.24 2.84 0.00 0.00 -1.25 -5.17 105.19 103.68 2pdz n GLY 12 Ca -0.25 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.64 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 1.88 2.39 0.00 -0.02 0.00 -1.26 -5.08 105.19 103.10 2pdz n GLY 13 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.40 2pdz n GLY 13 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2pdz n LEU 14 N 0.00 0.76 -2.30 0.99 0.00 -1.26 -4.35 117.00 110.84 2pdz n LEU 14 Ca 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 56.01 56.02 2pdz n LEU 14 Cb 0.50 0.00 -0.01 0.00 0.00 0.00 0.00 43.42 43.92 2pdz n LEU 14 CO 0.25 0.13 -0.36 0.61 0.00 0.00 0.00 177.39 178.02 2pdz n GLY 15 N 2.83 -3.97 3.17 -3.96 0.00 -1.26 -0.31 105.19 101.70 2pdz n GLY 15 Ca 0.00 0.39 0.04 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.99 -0.04 -0.70 -0.61 2.07 -1.26 -3.80 121.20 115.86 2pdz s ILE 16 Ca -0.03 0.00 -0.09 0.00 -1.41 0.00 0.00 60.65 59.11 2pdz s ILE 16 Cb 0.00 -1.00 0.18 0.00 0.13 0.00 0.00 42.46 41.78 2pdz s ILE 16 CO 0.53 0.00 0.59 -0.55 -1.91 0.00 0.00 174.94 173.60 2pdz s SER 17 N 2.11 6.03 0.67 4.50 0.15 -0.11 -4.99 113.70 122.06 2pdz s SER 17 Ca -0.00 -2.66 -0.15 0.00 0.70 0.00 0.00 55.95 53.84 2pdz s SER 17 Cb -0.01 -2.05 0.01 0.00 -1.71 0.00 0.00 66.02 62.26 2pdz s SER 17 CO -0.15 -0.51 1.12 0.27 1.20 0.00 0.00 173.24 175.16 2pdz s ILE 18 N 0.23 3.17 0.31 6.45 -4.36 -1.26 -1.67 121.20 124.07 2pdz s ILE 18 Ca 0.16 0.53 0.04 0.00 -0.26 0.00 0.00 60.65 61.12 2pdz s ILE 18 Cb -0.16 -3.05 -0.04 0.00 1.25 0.00 0.00 42.46 40.46 2pdz s ILE 18 CO -0.06 -0.35 0.17 -0.54 0.24 0.00 0.00 174.94 174.41 2pdz s LYS 19 N -4.14 1.63 0.00 0.37 1.02 0.19 -4.75 119.74 114.05 2pdz s LYS 19 Ca 0.67 -1.93 0.00 0.00 0.02 0.00 0.00 55.97 54.73 2pdz s LYS 19 Cb -0.21 -0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.04 2pdz s LYS 19 CO 0.43 -0.48 0.00 0.41 -0.92 0.00 0.00 175.35 174.79 2pdz n GLY 20 N -0.60 -0.92 0.00 -3.33 0.00 -1.26 -1.06 105.19 98.02 2pdz n GLY 20 Ca 0.01 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 44.11 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 3.70 0.19 -0.02 0.00 -1.23 -4.75 105.19 103.07 2pdz n GLY 21 Ca 0.00 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.72 0.17 114.38 116.87 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 1.49 -1.51 0.00 0.00 179.97 179.95 2pdz h GLU 23 N 0.00 0.00 -0.00 0.20 4.81 -1.92 -2.94 114.58 114.73 2pdz h GLU 23 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2pdz h GLU 23 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 2pdz h GLU 23 CO 0.00 0.00 -0.11 0.09 -0.73 0.00 0.00 179.01 178.26 2pdz n ASN 24 N -2.32 2.22 -3.55 1.04 3.02 0.04 -4.99 115.26 110.72 2pdz n ASN 24 Ca 0.03 -3.27 -0.25 0.00 -0.03 0.00 0.00 54.58 51.07 2pdz n ASN 24 Cb 0.31 -0.45 0.05 0.00 -0.61 0.00 0.00 39.78 39.08 2pdz n ASN 24 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 2pdz n LYS 25 N -1.37 -2.19 -3.89 3.52 4.01 -1.11 -4.96 118.16 112.17 2pdz n LYS 25 Ca 0.17 0.61 -0.15 0.00 -0.51 0.00 0.00 58.31 58.42 2pdz n LYS 25 Cb 0.65 -4.83 -0.16 0.00 -0.51 0.00 0.00 35.03 30.19 2pdz n LYS 25 CO 0.00 0.00 0.00 1.41 -1.11 0.00 0.00 177.40 177.70 2pdz s MET 26 N -5.50 0.16 0.16 1.97 1.75 -1.16 -5.02 119.30 111.66 2pdz s MET 26 Ca 0.39 0.07 -0.31 0.00 -1.25 0.00 0.00 55.69 54.59 2pdz s MET 26 Cb -0.11 -0.32 -0.09 0.00 2.84 0.00 0.00 34.83 37.16 2pdz s MET 26 CO 0.82 -0.10 1.37 -1.25 -0.65 0.00 0.00 175.02 175.20 2pdz s PRO 27 N 0.75 4.34 -0.81 4.11 0.04 -1.26 -3.55 135.00 138.62 2pdz s PRO 27 Ca -0.07 2.09 -0.26 0.00 0.04 0.00 0.00 61.00 62.81 2pdz s PRO 27 Cb -0.10 -3.21 -0.18 0.00 0.04 0.00 0.00 34.50 31.05 2pdz s PRO 27 CO -0.02 -0.36 2.50 -0.89 0.04 0.00 0.00 177.00 178.27 2pdz n ILE 28 N 3.24 -0.03 -3.80 0.56 2.08 -1.25 -4.74 119.36 115.42 2pdz n ILE 28 Ca 0.09 -0.39 -0.35 0.00 0.56 0.00 0.00 62.75 62.65 2pdz n ILE 28 Cb 0.42 -1.35 -0.09 0.00 -0.75 0.00 0.00 39.64 37.87 2pdz n ILE 28 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 2pdz s LEU 29 N 9.46 4.06 0.34 1.39 2.96 -0.22 -0.12 118.68 136.54 2pdz s LEU 29 Ca 1.18 0.15 -0.29 0.00 -0.22 0.00 0.00 54.13 54.96 2pdz s LEU 29 Cb -0.72 -2.05 -0.11 0.00 0.50 0.00 0.00 46.19 43.81 2pdz s LEU 29 CO 0.38 0.15 1.41 -0.63 -1.32 0.00 0.00 176.35 176.34 2pdz s ILE 30 N 0.53 2.42 0.00 6.68 1.01 -0.82 0.53 121.20 131.55 2pdz s ILE 30 Ca 0.06 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.12 2pdz s ILE 30 Cb -0.12 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.09 2pdz s ILE 30 CO 0.00 0.09 0.00 -0.24 0.00 0.00 0.00 174.94 174.79 2pdz n SER 31 N 0.89 4.54 -3.67 3.58 2.88 -0.67 -0.92 113.62 120.26 2pdz n SER 31 Ca 0.01 0.00 -0.27 0.00 -1.33 0.00 0.00 58.87 57.28 2pdz n SER 31 Cb 0.40 0.67 -0.17 0.00 -0.75 0.00 0.00 64.21 64.37 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 -1.87 0.36 -0.50 -1.46 2.20 -1.16 -4.85 119.74 112.47 2pdz s LYS 32 Ca 0.00 -0.31 -0.19 0.00 -0.36 0.00 0.00 55.97 55.11 2pdz s LYS 32 Cb 0.00 -1.91 0.06 0.00 -1.51 0.00 0.00 37.83 34.47 2pdz s LYS 32 CO 0.00 -0.70 0.61 0.42 -0.36 0.00 0.00 175.35 175.32 2pdz s ILE 33 N 1.99 4.90 0.25 5.43 -1.09 -1.26 -0.94 121.20 130.49 2pdz s ILE 33 Ca 0.02 -0.53 -0.31 0.00 -2.23 0.00 0.00 60.65 57.60 2pdz s ILE 33 Cb -0.17 -4.28 -0.13 0.00 -1.58 0.00 0.00 42.46 36.30 2pdz s ILE 33 CO -0.11 -0.78 1.50 0.49 -1.23 0.00 0.00 174.94 174.80 2pdz n PHE 34 N 6.09 2.44 -2.07 3.97 3.01 -1.25 -4.95 117.46 124.71 2pdz n PHE 34 Ca -0.07 0.34 -0.31 0.00 1.01 0.00 0.00 57.45 58.42 2pdz n PHE 34 Cb 0.45 -2.52 -0.00 0.00 -0.01 0.00 0.00 39.48 37.40 2pdz n PHE 34 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 2pdz s LYS 35 N -0.30 3.68 -2.02 -1.08 3.01 -1.26 -3.50 119.74 118.27 2pdz s LYS 35 Ca 0.68 0.74 0.00 0.00 -1.01 0.00 0.00 55.97 56.38 2pdz s LYS 35 Cb -0.59 -2.12 0.00 0.00 -1.01 0.00 0.00 37.83 34.11 2pdz s LYS 35 CO 0.48 -0.46 0.00 0.41 0.51 0.00 0.00 175.35 176.29 2pdz n GLY 36 N -2.41 1.81 3.79 -3.33 0.00 -1.26 -4.95 105.19 98.84 2pdz n GLY 36 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 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 -4.38 3.32 0.03 0.99 2.01 -1.23 -4.96 118.68 114.47 2pdz s LEU 37 Ca 0.00 -0.79 -0.15 0.00 0.01 0.00 0.00 54.13 53.20 2pdz s LEU 37 Cb 0.00 -1.84 -0.08 0.00 0.01 0.00 0.00 46.19 44.28 2pdz s LEU 37 CO 0.00 -0.46 1.23 0.00 1.01 0.00 0.00 176.35 178.14 2pdz h ALA 38 N 1.33 -0.99 -1.06 4.21 0.00 -1.74 0.28 119.26 121.29 2pdz h ALA 38 Ca -0.43 -0.09 0.29 0.00 0.00 0.00 0.00 54.91 54.67 2pdz h ALA 38 Cb 1.26 0.38 -0.11 0.00 0.00 0.00 0.00 17.79 19.32 2pdz h ALA 38 CO 0.62 -0.99 0.66 0.00 0.00 0.00 0.00 179.25 179.54 2pdz h ALA 39 N -1.50 2.14 -0.00 0.00 0.00 -0.86 0.69 119.26 119.73 2pdz h ALA 39 Ca -0.04 0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2pdz h ALA 39 Cb 0.39 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2pdz h ALA 39 CO 0.01 -0.62 -0.22 -3.47 0.00 0.00 0.00 179.25 174.95 2pdz n ASP 40 N -4.75 0.54 -0.70 0.00 -0.08 -1.03 -3.47 116.55 107.06 2pdz n ASP 40 Ca 0.28 -0.43 0.12 0.00 -1.51 0.00 0.00 54.79 53.25 2pdz n ASP 40 Cb 0.92 -0.00 0.15 0.00 2.34 0.00 0.00 41.12 44.52 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 -1.09 1.78 -0.51 -0.67 6.02 0.24 -4.14 117.38 119.02 2pdz n GLN 41 Ca 0.11 -1.40 0.09 0.00 -0.01 0.00 0.00 57.00 55.79 2pdz n GLN 41 Cb 0.32 -1.47 0.32 0.00 1.02 0.00 0.00 30.24 30.42 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 0.62 1.47 -3.88 5.09 5.66 -1.01 -4.96 114.28 117.25 2pdz n THR 42 Ca 0.13 -1.02 -0.38 0.00 -3.05 0.00 0.00 64.05 59.73 2pdz n THR 42 Cb 0.51 0.17 0.03 0.00 -1.55 0.00 0.00 70.33 69.49 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 1.13 -0.90 0.00 1.09 1.02 -1.26 -4.67 120.64 117.06 2pdz n GLU 43 Ca 0.23 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.65 2pdz n GLU 43 Cb 0.76 -3.44 0.00 0.00 -0.02 0.00 0.00 31.44 28.74 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 -4.59 0.00 -2.12 0.62 0.00 -1.26 -5.02 120.51 108.14 2pdz n ALA 44 Ca -0.12 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.03 2pdz n ALA 44 Cb 0.59 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.98 2pdz n ALA 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2pdz s LEU 45 N -4.08 3.17 0.15 0.00 1.43 -1.23 -4.90 118.68 113.22 2pdz s LEU 45 Ca 0.00 -1.37 0.07 0.00 -1.03 0.00 0.00 54.13 51.80 2pdz s LEU 45 Cb 0.00 -2.58 -0.04 0.00 0.03 0.00 0.00 46.19 43.60 2pdz s LEU 45 CO 0.00 -2.76 -0.02 0.72 0.23 0.00 0.00 176.35 174.52 2pdz s PHE 46 N 9.96 2.84 0.66 0.29 -0.12 -1.26 -4.33 117.98 126.02 2pdz s PHE 46 Ca 0.67 -0.13 -0.17 0.00 -0.05 0.00 0.00 56.93 57.25 2pdz s PHE 46 Cb -0.02 -1.41 -0.06 0.00 -0.63 0.00 0.00 43.02 40.90 2pdz s PHE 46 CO 0.07 0.50 0.51 0.28 -0.05 0.00 0.00 175.22 176.53 2pdz n VAL 47 N 0.13 1.98 -1.22 -2.49 0.31 -1.26 -3.02 118.33 112.76 2pdz n VAL 47 Ca -0.10 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.78 2pdz n VAL 47 Cb 0.54 -0.71 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 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 1.72 0.67 3.14 2.92 0.00 -0.10 -4.92 105.19 108.63 2pdz n GLY 48 Ca 0.11 -0.74 -0.37 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.76 5.37 -0.44 1.61 1.01 -1.17 -0.85 116.67 119.44 2pdz s ASP 49 Ca 0.00 -2.00 -0.29 0.00 0.71 0.00 0.00 52.55 50.97 2pdz s ASP 49 Cb 0.00 -1.88 0.02 0.00 1.01 0.00 0.00 42.92 42.08 2pdz s ASP 49 CO 0.00 -0.58 1.25 0.00 0.21 0.00 0.00 175.17 176.05 2pdz s ALA 50 N 1.20 3.13 0.12 5.23 0.00 -1.03 -1.94 121.76 128.46 2pdz s ALA 50 Ca 0.08 -0.32 -0.30 0.00 0.00 0.00 0.00 51.96 51.41 2pdz s ALA 50 Cb -0.24 -3.91 -0.06 0.00 0.00 0.00 0.00 23.12 18.92 2pdz s ALA 50 CO -0.03 -2.28 0.98 0.42 0.00 0.00 0.00 175.76 174.85 2pdz s ILE 51 N 4.82 4.41 -0.01 0.00 1.01 0.83 0.11 121.20 132.38 2pdz s ILE 51 Ca 0.53 2.00 0.01 0.00 0.00 0.00 0.00 60.65 63.20 2pdz s ILE 51 Cb -0.10 -4.28 0.02 0.00 0.01 0.00 0.00 42.46 38.11 2pdz s ILE 51 CO 0.31 0.31 0.88 0.18 0.00 0.00 0.00 174.94 176.62 2pdz n LEU 52 N 2.77 1.46 0.00 2.97 7.99 -0.78 -3.97 117.00 127.44 2pdz n LEU 52 Ca 0.03 -1.54 0.00 0.00 -0.01 0.00 0.00 56.01 54.49 2pdz n LEU 52 Cb 0.49 -0.03 0.00 0.00 -0.11 0.00 0.00 43.42 43.77 2pdz n LEU 52 CO 0.52 0.38 0.00 -1.54 -1.51 0.00 0.00 177.39 175.24 2pdz n SER 53 N -0.42 0.00 -4.69 -1.43 3.41 -1.26 -1.05 113.62 108.18 2pdz n SER 53 Ca 0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 58.87 58.20 2pdz n SER 53 Cb 0.35 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 2pdz n SER 53 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 2pdz s VAL 54 N 0.00 4.34 -1.61 -3.33 -7.23 -0.86 -2.66 120.40 109.05 2pdz s VAL 54 Ca 0.00 1.66 -0.20 0.00 -1.81 0.00 0.00 61.98 61.64 2pdz s VAL 54 Cb 0.00 -4.07 0.20 0.00 0.56 0.00 0.00 36.38 33.07 2pdz s VAL 54 CO 0.00 0.03 0.49 -0.46 -0.31 0.00 0.00 175.10 174.85 2pdz n ASN 55 N 4.85 -1.47 0.00 4.85 0.23 0.40 0.17 115.26 124.29 2pdz n ASN 55 Ca 0.10 -1.08 0.00 0.00 -0.53 0.00 0.00 54.58 53.07 2pdz n ASN 55 Cb 0.47 -1.37 0.00 0.00 -2.08 0.00 0.00 39.78 36.79 2pdz n ASN 55 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2pdz n GLY 56 N -1.04 0.42 3.44 4.83 0.00 -1.25 -4.95 105.19 106.64 2pdz n GLY 56 Ca 0.09 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.88 3.50 -0.43 1.61 2.02 0.45 -4.97 118.70 120.01 2pdz s GLU 57 Ca 0.00 -1.63 -0.41 0.00 0.02 0.00 0.00 54.97 52.95 2pdz s GLU 57 Cb 0.00 -4.78 -0.16 0.00 0.10 0.00 0.00 34.13 29.29 2pdz s GLU 57 CO 0.00 -1.76 2.06 -0.25 0.02 0.00 0.00 175.26 175.33 2pdz n ASP 58 N 6.64 1.41 -0.35 -0.19 8.00 -1.26 -2.04 116.55 128.77 2pdz n ASP 58 Ca 0.18 0.69 0.10 0.00 0.71 0.00 0.00 54.79 56.47 2pdz n ASP 58 Cb 0.48 -1.04 -0.03 0.00 -0.02 0.00 0.00 41.12 40.52 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 7.64 1.68 -0.07 0.64 7.99 -0.21 -4.39 117.00 130.27 2pdz n LEU 59 Ca 0.45 -0.70 0.15 0.00 -0.01 0.00 0.00 56.01 55.90 2pdz n LEU 59 Cb 0.06 0.00 0.56 0.00 -0.11 0.00 0.00 43.42 43.93 2pdz n LEU 59 CO 0.84 0.33 1.19 0.28 -1.51 0.00 0.00 177.39 178.51 2pdz h SER 60 N 1.73 0.26 -0.62 -1.43 0.02 -1.78 -1.33 113.55 110.39 2pdz h SER 60 Ca 0.00 0.01 -0.41 0.00 -0.84 0.00 0.00 61.79 60.55 2pdz h SER 60 Cb 0.64 -0.04 -0.26 0.00 0.14 0.00 0.00 62.40 62.87 2pdz h SER 60 CO 0.00 0.14 -0.18 -1.20 -1.14 0.00 0.00 176.83 174.46 2pdz n SER 61 N -4.45 4.37 -4.38 3.07 7.64 -1.26 -5.00 113.62 113.61 2pdz n SER 61 Ca 0.11 -3.78 -0.26 0.00 1.01 0.00 0.00 58.87 55.94 2pdz n SER 61 Cb 0.48 -0.59 -0.12 0.00 -1.01 0.00 0.00 64.21 62.97 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 -3.50 2.31 0.68 -0.43 0.00 -0.50 -5.12 121.76 115.20 2pdz s ALA 62 Ca 0.51 -1.52 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 2pdz s ALA 62 Cb 0.43 -0.31 0.02 0.00 0.00 0.00 0.00 23.12 23.26 2pdz s ALA 62 CO 0.01 0.42 1.05 0.95 0.00 0.00 0.00 175.76 178.18 2pdz s THR 63 N -1.52 3.39 0.59 0.00 -4.23 -1.26 -4.16 115.64 108.45 2pdz s THR 63 Ca 0.16 0.30 0.29 0.00 -1.18 0.00 0.00 61.69 61.26 2pdz s THR 63 Cb -0.08 -3.42 0.38 0.00 1.34 0.00 0.00 72.50 70.72 2pdz s THR 63 CO 0.08 -0.52 1.91 -0.74 -0.54 0.00 0.00 174.62 174.80 2pdz h HIS 64 N -0.56 0.00 -0.06 3.99 2.76 -1.88 0.12 115.15 119.52 2pdz h HIS 64 Ca -0.45 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 57.62 2pdz h HIS 64 Cb 1.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.23 2pdz h HIS 64 CO 0.48 0.00 -0.34 -0.44 -1.30 0.00 0.00 177.93 176.32 2pdz h ASP 65 N 0.00 0.41 0.11 3.26 3.32 -1.96 -2.02 116.42 119.53 2pdz h ASP 65 Ca 0.22 -0.66 -0.00 0.00 0.02 0.00 0.00 57.03 56.60 2pdz h ASP 65 Cb 1.16 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 2pdz h ASP 65 CO -0.00 1.01 -0.02 -0.33 -1.72 0.00 0.00 179.24 178.17 2pdz h GLU 66 N -0.16 0.00 0.07 3.56 5.08 -1.14 -0.57 114.58 121.42 2pdz h GLU 66 Ca -0.03 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 2pdz h GLU 66 Cb 1.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.26 2pdz h GLU 66 CO 0.07 0.02 -0.46 0.00 -1.00 0.00 0.00 179.01 177.64 2pdz h ALA 67 N 1.98 -0.03 -0.19 3.43 0.00 -1.08 -3.23 119.26 120.14 2pdz h ALA 67 Ca -0.00 -0.63 -0.08 0.00 0.00 0.00 0.00 54.91 54.20 2pdz h ALA 67 Cb 0.08 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2pdz h ALA 67 CO 0.00 0.22 -0.22 0.28 0.00 0.00 0.00 179.25 179.53 2pdz h VAL 68 N -0.68 1.24 -0.91 0.00 2.07 -0.94 -2.35 116.25 114.69 2pdz h VAL 68 Ca -0.09 -1.11 0.08 0.00 0.82 0.00 0.00 66.70 66.41 2pdz h VAL 68 Cb 1.34 1.34 -0.07 0.00 -1.52 0.00 0.00 31.29 32.38 2pdz h VAL 68 CO 0.07 0.34 0.56 -0.61 0.02 0.00 0.00 177.57 177.95 2pdz h GLN 69 N 0.30 0.95 0.00 1.57 4.15 -1.20 0.53 115.11 121.41 2pdz h GLN 69 Ca 0.05 -0.06 -0.07 0.00 0.77 0.00 0.00 58.65 59.34 2pdz h GLN 69 Cb 0.56 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.03 2pdz h GLN 69 CO 0.04 0.63 -0.35 0.00 -1.93 0.00 0.00 178.83 177.22 2pdz h ALA 70 N 1.45 1.06 0.12 3.38 0.00 -1.44 -1.86 119.26 121.96 2pdz h ALA 70 Ca 0.41 -0.32 -0.27 0.00 0.00 0.00 0.00 54.91 54.74 2pdz h ALA 70 Cb 0.27 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2pdz h ALA 70 CO -0.21 0.43 -1.26 -0.07 0.00 0.00 0.00 179.25 178.14 2pdz h LEU 71 N 0.00 0.38 -0.25 0.00 -0.00 -0.31 -2.03 115.31 113.11 2pdz h LEU 71 Ca -0.00 -0.42 -0.21 0.00 -0.00 0.00 0.00 57.88 57.25 2pdz h LEU 71 Cb 0.81 -0.12 -0.01 0.00 -0.00 0.00 0.00 40.66 41.34 2pdz h LEU 71 CO 0.05 1.33 -0.90 0.11 -0.00 0.00 0.00 178.44 179.03 2pdz h LYS 72 N 0.07 0.27 -0.68 1.13 1.79 0.04 -3.25 116.57 115.94 2pdz h LYS 72 Ca -0.14 -0.30 -0.45 0.00 -2.18 0.00 0.00 60.65 57.58 2pdz h LYS 72 Cb 1.96 0.08 -0.28 0.00 -1.58 0.00 0.00 32.23 32.42 2pdz h LYS 72 CO 0.19 1.00 -0.11 1.63 -1.08 0.00 0.00 179.45 181.09 2pdz n LYS 73 N -3.69 2.73 -2.32 3.15 5.02 -0.71 -5.02 118.16 117.31 2pdz n LYS 73 Ca -0.05 -3.59 -0.41 0.00 -2.02 0.00 0.00 58.31 52.25 2pdz n LYS 73 Cb 0.81 -2.12 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 2pdz n LYS 73 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 2pdz s THR 74 N -4.16 3.29 0.93 -0.18 2.01 -0.76 -4.93 115.64 111.84 2pdz s THR 74 Ca 0.52 1.19 -0.16 0.00 0.31 0.00 0.00 61.69 63.56 2pdz s THR 74 Cb 0.44 -3.76 0.23 0.00 0.01 0.00 0.00 72.50 69.41 2pdz s THR 74 CO 0.01 0.24 0.95 0.61 -0.69 0.00 0.00 174.62 175.74 2pdz n GLY 75 N 1.58 -2.29 0.00 4.40 0.00 -1.26 -4.99 105.19 102.63 2pdz n GLY 75 Ca 0.02 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2pdz n GLY 75 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2pdz n LYS 76 N -3.91 0.00 -1.75 1.61 4.81 -1.26 -4.11 118.16 113.55 2pdz n LYS 76 Ca 0.13 0.28 -0.38 0.00 -0.87 0.00 0.00 58.31 57.47 2pdz n LYS 76 Cb 0.47 -1.17 -0.03 0.00 0.02 0.00 0.00 35.03 34.33 2pdz n LYS 76 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 2pdz s GLU 77 N -1.68 2.44 -1.07 1.64 4.04 -1.26 -2.28 118.70 120.53 2pdz s GLU 77 Ca 0.00 1.20 -0.12 0.00 0.04 0.00 0.00 54.97 56.09 2pdz s GLU 77 Cb 0.00 -4.48 0.23 0.00 0.02 0.00 0.00 34.13 29.90 2pdz s GLU 77 CO 0.00 -2.91 1.13 0.08 -1.84 0.00 0.00 175.26 171.73 2pdz s VAL 78 N 10.49 5.60 -0.39 1.83 1.01 0.93 -4.91 120.40 134.96 2pdz s VAL 78 Ca 0.86 -2.91 -0.29 0.00 0.00 0.00 0.00 61.98 59.64 2pdz s VAL 78 Cb -0.17 -4.67 0.02 0.00 0.00 0.00 0.00 36.38 31.56 2pdz s VAL 78 CO 0.25 -1.29 1.09 -0.69 0.00 0.00 0.00 175.10 174.47 2pdz s VAL 79 N 0.01 4.39 -0.15 2.92 1.01 -1.26 -0.69 120.40 126.63 2pdz s VAL 79 Ca 0.32 1.50 0.01 0.00 0.00 0.00 0.00 61.98 63.80 2pdz s VAL 79 Cb -0.08 -4.49 0.00 0.00 0.00 0.00 0.00 36.38 31.82 2pdz s VAL 79 CO -0.06 -0.70 -0.17 -0.76 0.00 0.00 0.00 175.10 173.41 2pdz s LEU 80 N 3.97 2.37 -0.08 3.92 1.43 0.25 0.15 118.68 130.69 2pdz s LEU 80 Ca 0.46 -0.51 -0.30 0.00 -1.03 0.00 0.00 54.13 52.75 2pdz s LEU 80 Cb -0.10 -1.53 -0.02 0.00 0.03 0.00 0.00 46.19 44.57 2pdz s LEU 80 CO 0.22 0.08 1.10 -0.70 0.23 0.00 0.00 176.35 177.28 2pdz s GLU 81 N 0.84 4.39 0.07 1.70 -6.30 -1.09 -1.68 118.70 116.64 2pdz s GLU 81 Ca -0.05 1.53 0.07 0.00 -2.50 0.00 0.00 54.97 54.02 2pdz s GLU 81 Cb -0.15 -3.55 -0.03 0.00 0.00 0.00 0.00 34.13 30.40 2pdz s GLU 81 CO -0.01 -0.38 -0.19 0.54 0.02 0.00 0.00 175.26 175.24 2pdz s VAL 82 N 2.09 1.57 -0.81 3.70 0.11 0.23 -1.86 120.40 125.44 2pdz s VAL 82 Ca 0.52 -1.35 -0.05 0.00 -2.93 0.00 0.00 61.98 58.16 2pdz s VAL 82 Cb -0.21 -1.42 0.20 0.00 -1.53 0.00 0.00 36.38 33.42 2pdz s VAL 82 CO 0.20 0.01 0.69 -0.75 -3.33 0.00 0.00 175.10 171.92 2pdz s LYS 83 N -1.58 3.18 -0.11 1.54 2.20 0.31 0.16 119.74 125.45 2pdz s LYS 83 Ca 0.05 -2.85 -0.33 0.00 -0.36 0.00 0.00 55.97 52.47 2pdz s LYS 83 Cb -0.09 -4.03 -0.11 0.00 -1.51 0.00 0.00 37.83 32.09 2pdz s LYS 83 CO 0.03 -1.23 1.94 0.98 -0.36 0.00 0.00 175.35 176.71 2pdz n TYR 84 N 3.09 2.27 -1.75 4.03 4.19 -1.26 -2.46 117.16 125.27 2pdz n TYR 84 Ca 0.15 -0.04 -0.35 0.00 3.31 0.00 0.00 57.90 60.98 2pdz n TYR 84 Cb 0.39 -2.68 0.01 0.00 0.49 0.00 0.00 39.34 37.56 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 7.02 2.62 0.00 2.98 2.81 -0.03 -4.70 117.12 127.81 2pdz n MET 85 Ca 0.24 -3.10 0.13 0.00 -1.81 0.00 0.00 57.70 53.16 2pdz n MET 85 Cb 0.31 -2.22 0.25 0.00 -0.71 0.00 0.00 33.22 30.85 2pdz n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65