#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 1.64 -0.09 2.89 0.52 0.42 -4.60 118.95 119.73 2pdz s ARG 2 Ca 0.00 -0.92 -0.03 0.00 -0.52 0.00 0.00 55.73 54.26 2pdz s ARG 2 Cb 0.00 0.55 0.04 0.00 0.52 0.00 0.00 34.95 36.06 2pdz s ARG 2 CO 0.00 -0.75 0.06 -0.98 0.02 0.00 0.00 175.30 173.64 2pdz s ARG 3 N -3.64 0.12 -0.04 3.54 1.70 -1.26 -1.64 118.95 117.73 2pdz s ARG 3 Ca 0.12 0.16 0.06 0.00 -0.47 0.00 0.00 55.73 55.60 2pdz s ARG 3 Cb -0.05 -1.04 -0.01 0.00 -0.57 0.00 0.00 34.95 33.28 2pdz s ARG 3 CO 0.06 -0.44 -0.24 0.08 -1.08 0.00 0.00 175.30 173.69 2pdz s VAL 4 N 2.11 1.93 -0.10 4.99 1.01 -0.82 -4.94 120.40 124.57 2pdz s VAL 4 Ca 0.04 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.03 2pdz s VAL 4 Cb -0.13 -1.62 0.01 0.00 0.00 0.00 0.00 36.38 34.64 2pdz s VAL 4 CO -0.05 0.54 -0.16 -0.89 0.00 0.00 0.00 175.10 174.54 2pdz s THR 5 N -0.27 1.52 -0.21 3.92 2.01 -1.26 0.12 115.64 121.47 2pdz s THR 5 Ca 0.01 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.36 2pdz s THR 5 Cb -0.12 -1.38 0.04 0.00 0.01 0.00 0.00 72.50 71.05 2pdz s THR 5 CO 0.02 0.44 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.57 2pdz s VAL 6 N 0.90 1.91 -0.35 3.82 1.01 -0.35 -4.88 120.40 122.45 2pdz s VAL 6 Ca -0.08 -1.14 -0.23 0.00 0.00 0.00 0.00 61.98 60.53 2pdz s VAL 6 Cb -0.15 -1.90 0.01 0.00 0.00 0.00 0.00 36.38 34.33 2pdz s VAL 6 CO -0.00 0.25 0.77 -0.13 0.00 0.00 0.00 175.10 175.98 2pdz s ARG 7 N 1.29 3.78 -0.80 2.72 0.52 -1.26 0.46 118.95 125.65 2pdz s ARG 7 Ca -0.01 0.32 0.02 0.00 -0.52 0.00 0.00 55.73 55.54 2pdz s ARG 7 Cb -0.16 -3.80 0.20 0.00 0.52 0.00 0.00 34.95 31.71 2pdz s ARG 7 CO -0.09 -0.81 0.66 0.36 0.02 0.00 0.00 175.30 175.44 2pdz n LYS 8 N 6.34 2.28 0.37 3.54 2.85 -0.85 -4.93 118.16 127.76 2pdz n LYS 8 Ca 0.03 -4.50 -0.17 0.00 -1.05 0.00 0.00 58.31 52.62 2pdz n LYS 8 Cb 0.48 -2.35 -0.08 0.00 -0.65 0.00 0.00 35.03 32.43 2pdz n LYS 8 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2pdz h ALA 9 N 5.58 -0.95 0.00 0.58 0.00 -1.93 -2.69 119.26 119.85 2pdz h ALA 9 Ca 0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2pdz h ALA 9 Cb 0.77 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 2pdz h ALA 9 CO 0.80 -0.95 -0.02 -0.44 0.00 0.00 0.00 179.25 178.64 2pdz h ASP 10 N -1.12 0.00 -6.19 0.00 3.32 -1.98 -3.46 116.42 106.99 2pdz h ASP 10 Ca -0.10 0.00 -0.44 0.00 0.02 0.00 0.00 57.03 56.51 2pdz h ASP 10 Cb 0.76 0.00 0.02 0.00 0.22 0.00 0.00 39.33 40.32 2pdz h ASP 10 CO 0.16 0.02 -0.81 0.00 -1.72 0.00 0.00 179.24 176.89 2pdz n ALA 11 N -2.23 -1.77 -3.35 3.45 0.00 -1.02 -4.90 120.51 110.70 2pdz n ALA 11 Ca -0.03 -0.05 -0.38 0.00 0.00 0.00 0.00 53.44 52.98 2pdz n ALA 11 Cb 0.11 -2.77 -0.03 0.00 0.00 0.00 0.00 19.45 16.75 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 -1.65 4.59 0.60 0.00 0.00 -1.26 -4.96 105.19 102.52 2pdz n GLY 12 Ca -0.18 -2.65 0.00 0.00 0.00 0.00 0.00 46.02 43.19 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 1.81 -3.64 0.00 -0.02 0.00 -1.26 -4.88 105.19 97.19 2pdz n GLY 13 Ca 0.25 -0.97 0.09 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.86 0.48 -2.78 0.99 0.00 -1.26 -4.56 117.00 109.02 2pdz n LEU 14 Ca 0.00 -0.27 -0.06 0.00 0.00 0.00 0.00 56.01 55.68 2pdz n LEU 14 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 43.42 43.43 2pdz n LEU 14 CO 0.00 0.12 -0.08 0.61 0.00 0.00 0.00 177.39 178.04 2pdz n GLY 15 N 1.42 -2.05 3.33 -3.96 0.00 -1.26 -1.92 105.19 100.75 2pdz n GLY 15 Ca 0.00 1.03 0.02 0.00 0.00 0.00 0.00 46.02 47.08 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 -2.32 -0.34 -0.23 -0.61 2.07 -1.26 -3.56 121.20 114.96 2pdz s ILE 16 Ca 0.18 0.00 -0.04 0.00 -1.41 0.00 0.00 60.65 59.38 2pdz s ILE 16 Cb -0.05 -1.00 -0.00 0.00 0.13 0.00 0.00 42.46 41.53 2pdz s ILE 16 CO 0.75 0.00 -0.04 -0.44 -1.91 0.00 0.00 174.94 173.30 2pdz s SER 17 N 2.28 4.33 0.09 4.50 0.01 -0.05 -4.95 113.70 119.90 2pdz s SER 17 Ca -0.02 -0.45 0.01 0.00 1.31 0.00 0.00 55.95 56.81 2pdz s SER 17 Cb -0.04 -1.74 -0.04 0.00 0.21 0.00 0.00 66.02 64.41 2pdz s SER 17 CO -0.17 -0.04 0.22 0.27 0.41 0.00 0.00 173.24 173.93 2pdz s ILE 18 N 1.47 5.26 0.16 1.44 -4.36 -1.26 -0.82 121.20 123.09 2pdz s ILE 18 Ca 0.05 -0.54 0.05 0.00 -0.26 0.00 0.00 60.65 59.95 2pdz s ILE 18 Cb -0.15 -3.61 -0.05 0.00 1.25 0.00 0.00 42.46 39.91 2pdz s ILE 18 CO -0.03 0.06 -0.09 -1.59 0.24 0.00 0.00 174.94 173.53 2pdz s LYS 19 N -2.74 1.12 0.00 0.37 -2.85 0.21 -4.79 119.74 111.07 2pdz s LYS 19 Ca 0.34 -1.49 0.00 0.00 -1.00 0.00 0.00 55.97 53.82 2pdz s LYS 19 Cb -0.12 -0.67 0.00 0.00 -2.06 0.00 0.00 37.83 34.98 2pdz s LYS 19 CO 0.27 0.06 0.00 0.41 0.10 0.00 0.00 175.35 176.20 2pdz n GLY 20 N -0.24 -0.41 0.00 0.59 0.00 -1.26 -0.36 105.19 103.50 2pdz n GLY 20 Ca -0.09 -2.20 0.00 0.00 0.00 0.00 0.00 46.02 43.73 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 3.85 0.19 -0.02 0.00 -1.26 -4.64 105.19 103.32 2pdz n GLY 21 Ca 0.00 -0.25 0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 9.65 -1.73 -0.01 114.38 123.90 2pdz h ARG 22 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2pdz h ARG 22 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2pdz h ARG 22 CO 0.00 0.00 0.00 0.93 2.80 0.00 0.00 179.97 183.70 2pdz h GLU 23 N 0.00 0.00 0.00 0.20 5.08 -1.92 -3.00 114.58 114.94 2pdz h GLU 23 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2pdz h GLU 23 Cb 0.01 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.21 2pdz h GLU 23 CO 0.00 0.00 -0.36 0.09 -1.00 0.00 0.00 179.01 177.74 2pdz n ASN 24 N -2.59 1.61 -2.79 1.42 3.02 -0.03 -5.05 115.26 110.85 2pdz n ASN 24 Ca 0.02 -3.03 -0.01 0.00 -0.03 0.00 0.00 54.58 51.53 2pdz n ASN 24 Cb 0.30 -0.41 -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 -0.88 -3.15 -3.60 3.52 4.81 -1.13 -4.92 118.16 112.82 2pdz n LYS 25 Ca 0.13 2.56 -0.01 0.00 -0.87 0.00 0.00 58.31 60.12 2pdz n LYS 25 Cb 0.73 -4.52 -0.06 0.00 0.02 0.00 0.00 35.03 31.20 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 -1.32 0.31 0.00 1.64 1.75 -1.23 -4.91 119.30 115.55 2pdz s MET 26 Ca -0.05 0.58 -0.03 0.00 -1.25 0.00 0.00 55.69 54.94 2pdz s MET 26 Cb 0.00 0.12 -0.11 0.00 2.84 0.00 0.00 34.83 37.68 2pdz s MET 26 CO 0.64 -0.07 2.08 -0.35 -0.65 0.00 0.00 175.02 176.67 2pdz n PRO 27 N 3.83 1.06 -3.09 4.11 -0.04 -1.26 -4.06 135.00 135.55 2pdz n PRO 27 Ca -0.17 -0.42 -0.00 0.00 -0.04 0.00 0.00 63.50 62.88 2pdz n PRO 27 Cb 0.57 -1.60 -0.00 0.00 -0.04 0.00 0.00 33.50 32.43 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 2.33 -4.19 -3.63 0.52 2.08 -1.26 -1.93 119.36 113.28 2pdz n ILE 28 Ca 0.18 0.80 -0.36 0.00 0.56 0.00 0.00 62.75 63.92 2pdz n ILE 28 Cb 0.50 -3.86 -0.07 0.00 -0.75 0.00 0.00 39.64 35.46 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 4.29 0.27 1.39 1.43 0.51 -1.09 118.68 124.34 2pdz s LEU 29 Ca -0.00 0.49 -0.30 0.00 -1.03 0.00 0.00 54.13 53.30 2pdz s LEU 29 Cb 0.00 -2.29 -0.10 0.00 0.03 0.00 0.00 46.19 43.83 2pdz s LEU 29 CO 0.17 0.19 1.33 -0.63 0.23 0.00 0.00 176.35 177.65 2pdz s ILE 30 N 0.02 2.88 0.00 -0.59 1.01 -0.22 0.68 121.20 124.98 2pdz s ILE 30 Ca 0.15 0.79 0.00 0.00 0.00 0.00 0.00 60.65 61.60 2pdz s ILE 30 Cb -0.13 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.84 2pdz s ILE 30 CO 0.04 0.15 0.00 -0.24 0.00 0.00 0.00 174.94 174.89 2pdz n SER 31 N 1.77 2.96 -3.37 3.58 2.88 0.00 -0.68 113.62 120.77 2pdz n SER 31 Ca 0.04 -0.18 -0.14 0.00 -1.33 0.00 0.00 58.87 57.26 2pdz n SER 31 Cb 0.42 0.94 -0.08 0.00 -0.75 0.00 0.00 64.21 64.74 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 -1.54 0.35 -0.84 -1.46 2.20 -1.01 -4.87 119.74 112.57 2pdz s LYS 32 Ca 0.00 -0.02 -0.21 0.00 -0.36 0.00 0.00 55.97 55.37 2pdz s LYS 32 Cb 0.00 -0.54 0.09 0.00 -1.51 0.00 0.00 37.83 35.87 2pdz s LYS 32 CO 0.00 -1.02 1.13 0.42 -0.36 0.00 0.00 175.35 175.53 2pdz s ILE 33 N 2.43 4.39 0.26 5.43 -1.09 -1.26 -0.87 121.20 130.48 2pdz s ILE 33 Ca 0.09 -0.89 -0.30 0.00 -2.23 0.00 0.00 60.65 57.32 2pdz s ILE 33 Cb -0.13 -4.80 -0.14 0.00 -1.58 0.00 0.00 42.46 35.81 2pdz s ILE 33 CO -0.31 -1.58 1.24 0.49 -1.23 0.00 0.00 174.94 173.55 2pdz n PHE 34 N 7.52 1.82 -2.11 3.97 3.01 -1.23 -4.85 117.46 125.59 2pdz n PHE 34 Ca 0.14 0.57 -0.27 0.00 1.01 0.00 0.00 57.45 58.90 2pdz n PHE 34 Cb 0.48 -2.37 0.09 0.00 -0.01 0.00 0.00 39.48 37.67 2pdz n PHE 34 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 2pdz s LYS 35 N -0.98 1.90 -1.66 -1.08 2.20 -1.26 -4.05 119.74 114.80 2pdz s LYS 35 Ca 0.64 -0.24 -0.02 0.00 -0.36 0.00 0.00 55.97 55.99 2pdz s LYS 35 Cb -0.68 -2.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.56 2pdz s LYS 35 CO 0.55 -1.50 0.28 0.41 -0.36 0.00 0.00 175.35 174.73 2pdz n GLY 36 N -3.13 -0.51 3.13 5.54 0.00 -1.26 -4.97 105.19 104.00 2pdz n GLY 36 Ca 0.09 0.06 -0.09 0.00 0.00 0.00 0.00 46.02 46.09 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 -6.33 2.04 0.14 0.99 1.43 -1.26 -5.02 118.68 110.66 2pdz s LEU 37 Ca 0.14 -1.09 -0.28 0.00 -1.03 0.00 0.00 54.13 51.87 2pdz s LEU 37 Cb -0.06 0.31 -0.04 0.00 0.03 0.00 0.00 46.19 46.42 2pdz s LEU 37 CO 0.18 -0.68 1.59 0.00 0.23 0.00 0.00 176.35 177.66 2pdz h ALA 38 N 2.97 -0.52 -0.75 4.21 0.00 -1.80 0.37 119.26 123.74 2pdz h ALA 38 Ca -0.34 0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.68 2pdz h ALA 38 Cb 1.17 0.76 -0.05 0.00 0.00 0.00 0.00 17.79 19.67 2pdz h ALA 38 CO 0.62 -0.89 0.49 0.00 0.00 0.00 0.00 179.25 179.47 2pdz h ALA 39 N 0.22 1.89 -0.02 0.00 0.00 -1.56 -1.42 119.26 118.37 2pdz h ALA 39 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2pdz h ALA 39 Cb 0.61 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2pdz h ALA 39 CO -0.41 -0.07 -0.24 -3.47 0.00 0.00 0.00 179.25 175.06 2pdz n ASP 40 N -4.50 1.87 -0.87 0.00 2.03 -0.68 -3.72 116.55 110.68 2pdz n ASP 40 Ca 0.13 -1.44 0.08 0.00 0.52 0.00 0.00 54.79 54.07 2pdz n ASP 40 Cb 0.39 0.21 0.24 0.00 -0.72 0.00 0.00 41.12 41.24 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 0.12 3.00 -0.38 -0.67 -0.00 0.12 -4.46 117.38 115.11 2pdz n GLN 41 Ca 0.13 -2.63 0.08 0.00 -0.00 0.00 0.00 57.00 54.57 2pdz n GLN 41 Cb 0.44 -1.70 0.24 0.00 -0.00 0.00 0.00 30.24 29.23 2pdz n GLN 41 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 2pdz n THR 42 N -0.14 1.66 -3.98 -0.39 5.66 -1.06 -4.98 114.28 111.05 2pdz n THR 42 Ca 0.19 -1.37 -0.32 0.00 -3.05 0.00 0.00 64.05 59.50 2pdz n THR 42 Cb 0.77 0.14 -0.01 0.00 -1.55 0.00 0.00 70.33 69.68 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 0.29 -1.73 0.00 1.09 -0.58 -1.26 -4.60 120.64 113.84 2pdz n GLU 43 Ca 0.18 0.29 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 2pdz n GLU 43 Cb 0.70 -3.84 0.00 0.00 -0.57 0.00 0.00 31.44 27.73 2pdz n GLU 43 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2pdz n ALA 44 N -4.52 0.00 -2.10 0.62 0.00 -1.26 -5.03 120.51 108.22 2pdz n ALA 44 Ca -0.22 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 52.93 2pdz n ALA 44 Cb 0.64 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.04 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 -4.24 3.14 0.14 0.00 1.43 -1.24 -4.90 118.68 113.02 2pdz s LEU 45 Ca 0.00 -1.29 0.08 0.00 -1.03 0.00 0.00 54.13 51.89 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 -2.82 -0.08 0.72 0.23 0.00 0.00 176.35 174.41 2pdz s PHE 46 N 10.17 2.73 1.06 0.29 -0.12 -1.26 -4.37 117.98 126.48 2pdz s PHE 46 Ca 0.68 -0.17 -0.21 0.00 -0.05 0.00 0.00 56.93 57.18 2pdz s PHE 46 Cb -0.03 -1.38 -0.01 0.00 -0.63 0.00 0.00 43.02 40.97 2pdz s PHE 46 CO 0.07 0.47 -0.48 0.28 -0.05 0.00 0.00 175.22 175.51 2pdz n VAL 47 N 0.33 0.00 -2.96 -2.49 0.31 -1.26 -3.48 118.33 108.77 2pdz n VAL 47 Ca -0.12 -0.21 -0.15 0.00 -0.01 0.00 0.00 64.34 63.84 2pdz n VAL 47 Cb 0.54 -0.39 0.04 0.00 -0.91 0.00 0.00 33.84 33.12 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 2.51 -0.08 3.04 2.92 0.00 0.14 -4.89 105.19 108.82 2pdz n GLY 48 Ca 0.00 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.98 4.44 -0.58 1.61 1.11 -1.23 -0.86 116.67 118.19 2pdz s ASP 49 Ca 0.28 -1.55 -0.25 0.00 0.18 0.00 0.00 52.55 51.21 2pdz s ASP 49 Cb -0.12 -1.51 0.04 0.00 1.07 0.00 0.00 42.92 42.40 2pdz s ASP 49 CO 0.35 -0.24 1.02 0.00 1.18 0.00 0.00 175.17 177.48 2pdz s ALA 50 N 1.10 3.09 0.22 5.23 0.00 -1.03 -1.05 121.76 129.32 2pdz s ALA 50 Ca -0.04 -1.19 -0.30 0.00 0.00 0.00 0.00 51.96 50.43 2pdz s ALA 50 Cb -0.20 -3.85 -0.09 0.00 0.00 0.00 0.00 23.12 18.99 2pdz s ALA 50 CO -0.06 -2.53 1.24 0.42 0.00 0.00 0.00 175.76 174.83 2pdz s ILE 51 N 4.30 3.32 0.00 0.00 1.01 -0.25 0.18 121.20 129.77 2pdz s ILE 51 Ca 0.33 1.15 0.00 0.00 0.00 0.00 0.00 60.65 62.13 2pdz s ILE 51 Cb -0.11 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.63 2pdz s ILE 51 CO 0.20 0.20 0.71 0.18 0.00 0.00 0.00 174.94 176.23 2pdz n LEU 52 N 2.20 1.22 0.00 2.97 4.32 -0.66 -4.42 117.00 122.64 2pdz n LEU 52 Ca 0.04 -1.22 0.00 0.00 -0.02 0.00 0.00 56.01 54.81 2pdz n LEU 52 Cb 0.44 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.24 2pdz n LEU 52 CO 0.57 0.30 0.00 -1.54 -1.22 0.00 0.00 177.39 175.50 2pdz n SER 53 N -0.25 0.00 -4.59 -1.43 3.41 -1.25 -0.89 113.62 108.61 2pdz n SER 53 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 2pdz n SER 53 Cb 0.24 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.10 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 5.19 -1.50 -3.33 -7.23 -1.06 -0.78 120.40 111.69 2pdz s VAL 54 Ca 0.00 0.43 -0.04 0.00 -1.81 0.00 0.00 61.98 60.56 2pdz s VAL 54 Cb 0.00 -3.70 0.02 0.00 0.56 0.00 0.00 36.38 33.26 2pdz s VAL 54 CO 0.00 0.13 0.39 0.59 -0.31 0.00 0.00 175.10 175.90 2pdz n ASN 55 N 5.31 -5.41 0.00 4.85 3.02 0.46 -1.53 115.26 121.96 2pdz n ASN 55 Ca -0.09 -0.19 0.00 0.00 -0.03 0.00 0.00 54.58 54.27 2pdz n ASN 55 Cb 0.51 -4.43 0.00 0.00 -0.61 0.00 0.00 39.78 35.24 2pdz n ASN 55 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pdz n GLY 56 N -1.27 0.76 3.23 7.41 0.00 -1.26 -5.00 105.19 109.05 2pdz n GLY 56 Ca -0.13 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.62 3.14 -0.82 1.61 2.02 -0.58 -5.01 118.70 118.43 2pdz s GLU 57 Ca 0.00 -2.48 -0.32 0.00 0.02 0.00 0.00 54.97 52.19 2pdz s GLU 57 Cb 0.00 -4.12 -0.19 0.00 0.10 0.00 0.00 34.13 29.92 2pdz s GLU 57 CO 0.00 -1.24 2.55 -0.25 0.02 0.00 0.00 175.26 176.34 2pdz n ASP 58 N 3.79 0.74 0.02 -0.19 8.00 -1.26 -2.57 116.55 125.08 2pdz n ASP 58 Ca 0.11 0.17 0.11 0.00 0.71 0.00 0.00 54.79 55.89 2pdz n ASP 58 Cb 0.43 -1.03 0.01 0.00 -0.02 0.00 0.00 41.12 40.51 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 10.77 0.62 -0.26 0.64 7.99 -0.07 -4.23 117.00 132.47 2pdz n LEU 59 Ca 0.59 -0.07 0.27 0.00 -0.01 0.00 0.00 56.01 56.79 2pdz n LEU 59 Cb 0.10 -0.09 0.63 0.00 -0.11 0.00 0.00 43.42 43.96 2pdz n LEU 59 CO 0.89 0.07 1.26 0.77 -1.51 0.00 0.00 177.39 178.87 2pdz h SER 60 N 0.00 0.19 -0.65 -1.43 4.64 -1.67 0.37 113.55 115.00 2pdz h SER 60 Ca 0.00 0.03 -0.36 0.00 -0.47 0.00 0.00 61.79 60.99 2pdz h SER 60 Cb 0.70 -0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.58 2pdz h SER 60 CO 0.00 0.05 0.21 -0.24 -0.87 0.00 0.00 176.83 175.98 2pdz n SER 61 N -4.39 3.48 -4.48 4.97 2.88 -1.26 -4.87 113.62 109.95 2pdz n SER 61 Ca 0.22 -3.73 -0.23 0.00 -1.33 0.00 0.00 58.87 53.79 2pdz n SER 61 Cb 0.96 -0.72 -0.10 0.00 -0.75 0.00 0.00 64.21 63.59 2pdz n SER 61 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2pdz s ALA 62 N -3.34 2.64 0.62 -1.46 0.00 0.13 -5.11 121.76 115.24 2pdz s ALA 62 Ca 0.51 -1.96 -0.07 0.00 0.00 0.00 0.00 51.96 50.44 2pdz s ALA 62 Cb 0.44 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.57 2pdz s ALA 62 CO 0.04 0.06 0.94 0.95 0.00 0.00 0.00 175.76 177.75 2pdz s THR 63 N -2.76 3.53 0.58 0.00 -4.23 -1.26 -4.04 115.64 107.47 2pdz s THR 63 Ca 0.30 0.07 0.28 0.00 -1.18 0.00 0.00 61.69 61.17 2pdz s THR 63 Cb 0.01 -3.43 0.38 0.00 1.34 0.00 0.00 72.50 70.80 2pdz s THR 63 CO 0.14 -0.46 1.96 -0.74 -0.54 0.00 0.00 174.62 174.98 2pdz h HIS 64 N -0.29 0.00 -0.09 3.99 2.76 -1.87 0.24 115.15 119.89 2pdz h HIS 64 Ca -0.45 0.00 -0.20 0.00 -2.20 0.00 0.00 60.37 57.52 2pdz h HIS 64 Cb 1.26 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.22 2pdz h HIS 64 CO 0.47 0.00 -0.77 -0.44 -1.30 0.00 0.00 177.93 175.89 2pdz h ASP 65 N 0.00 0.63 0.75 3.26 3.32 -1.93 -2.40 116.42 120.05 2pdz h ASP 65 Ca 0.18 -0.42 -0.03 0.00 0.02 0.00 0.00 57.03 56.78 2pdz h ASP 65 Cb 0.98 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 2pdz h ASP 65 CO -0.00 1.19 -0.13 -0.33 -1.72 0.00 0.00 179.24 178.24 2pdz h GLU 66 N 0.35 0.00 0.20 3.56 4.39 -0.88 -1.62 114.58 120.58 2pdz h GLU 66 Ca -0.04 0.00 -0.32 0.00 0.34 0.00 0.00 59.36 59.34 2pdz h GLU 66 Cb 1.37 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.04 2pdz h GLU 66 CO 0.14 0.13 -1.50 0.00 -1.16 0.00 0.00 179.01 176.62 2pdz h ALA 67 N 1.87 0.01 -0.06 3.43 0.00 -1.22 -3.27 119.26 120.02 2pdz h ALA 67 Ca -0.00 -0.98 -0.16 0.00 0.00 0.00 0.00 54.91 53.78 2pdz h ALA 67 Cb 0.54 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2pdz h ALA 67 CO 0.02 0.79 -0.66 0.28 0.00 0.00 0.00 179.25 179.68 2pdz h VAL 68 N 0.01 1.41 -0.82 0.00 2.07 -1.33 -2.84 116.25 114.75 2pdz h VAL 68 Ca -0.28 -2.12 0.02 0.00 0.82 0.00 0.00 66.70 65.13 2pdz h VAL 68 Cb 2.03 2.10 -0.04 0.00 -1.52 0.00 0.00 31.29 33.86 2pdz h VAL 68 CO 0.20 0.62 0.55 -0.61 0.02 0.00 0.00 177.57 178.35 2pdz h GLN 69 N 0.17 1.06 0.15 1.57 -0.00 -1.41 0.24 115.11 116.89 2pdz h GLN 69 Ca -0.01 -0.06 -0.01 0.00 -0.00 0.00 0.00 58.65 58.56 2pdz h GLN 69 Cb 1.20 -0.24 0.00 0.00 0.00 0.00 0.00 27.48 28.44 2pdz h GLN 69 CO 0.10 0.70 -0.07 0.00 0.00 0.00 0.00 178.83 179.56 2pdz h ALA 70 N 1.50 -0.20 -0.08 3.38 0.00 -1.58 -1.75 119.26 120.52 2pdz h ALA 70 Ca 0.31 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2pdz h ALA 70 Cb -0.08 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2pdz h ALA 70 CO -0.07 -0.35 0.18 -0.07 0.00 0.00 0.00 179.25 178.93 2pdz h LEU 71 N -0.73 0.00 0.22 0.00 3.38 -1.25 -0.28 115.31 116.66 2pdz h LEU 71 Ca -0.02 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.63 2pdz h LEU 71 Cb 0.52 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.30 2pdz h LEU 71 CO 0.03 0.00 -1.38 0.50 0.09 0.00 0.00 178.44 177.69 2pdz h LYS 72 N 0.00 0.55 -2.25 1.13 1.63 -0.23 -3.37 116.57 114.03 2pdz h LYS 72 Ca 0.04 -0.88 -0.60 0.00 -0.85 0.00 0.00 60.65 58.36 2pdz h LYS 72 Cb 0.39 0.32 -0.41 0.00 -0.60 0.00 0.00 32.23 31.93 2pdz h LYS 72 CO -0.00 1.42 -0.57 1.17 -3.45 0.00 0.00 179.45 178.02 2pdz n LYS 73 N -3.77 3.35 -0.89 1.90 4.81 -0.23 -5.07 118.16 118.26 2pdz n LYS 73 Ca -0.16 -4.84 -0.15 0.00 -0.87 0.00 0.00 58.31 52.29 2pdz n LYS 73 Cb 1.06 -2.25 0.11 0.00 0.02 0.00 0.00 35.03 33.97 2pdz n LYS 73 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 2pdz n THR 74 N -0.25 0.00 -3.56 3.15 -2.24 -0.55 -4.88 114.28 105.94 2pdz n THR 74 Ca 0.32 -0.46 -0.04 0.00 -2.27 0.00 0.00 64.05 61.61 2pdz n THR 74 Cb 0.40 -1.63 -0.00 0.00 -2.10 0.00 0.00 70.33 67.00 2pdz n THR 74 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pdz n GLY 75 N 0.18 3.03 0.24 3.38 0.00 -1.26 -5.00 105.19 105.76 2pdz n GLY 75 Ca 0.08 -2.19 0.01 0.00 0.00 0.00 0.00 46.02 43.93 2pdz n GLY 75 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pdz h LYS 76 N 0.00 0.09 -4.97 1.61 1.57 -1.95 -3.37 116.57 109.56 2pdz h LYS 76 Ca -0.05 -0.01 -0.65 0.00 -1.87 0.00 0.00 60.65 58.07 2pdz h LYS 76 Cb 0.19 -0.02 -0.25 0.00 0.08 0.00 0.00 32.23 32.23 2pdz h LYS 76 CO 0.08 0.06 -0.67 -1.83 -0.57 0.00 0.00 179.45 176.53 2pdz s GLU 77 N -6.16 3.52 -1.16 3.15 -1.05 -1.26 -2.00 118.70 113.74 2pdz s GLU 77 Ca -0.14 -0.55 -0.15 0.00 -0.15 0.00 0.00 54.97 53.99 2pdz s GLU 77 Cb 0.19 -3.19 0.16 0.00 -0.44 0.00 0.00 34.13 30.86 2pdz s GLU 77 CO 0.74 -0.20 1.38 0.08 0.95 0.00 0.00 175.26 178.21 2pdz s VAL 78 N 1.55 4.96 -0.52 1.83 1.01 0.17 -4.87 120.40 124.53 2pdz s VAL 78 Ca 0.06 -2.42 -0.28 0.00 0.00 0.00 0.00 61.98 59.33 2pdz s VAL 78 Cb -0.15 -4.89 0.02 0.00 0.00 0.00 0.00 36.38 31.36 2pdz s VAL 78 CO 0.01 -1.61 1.33 -0.69 0.00 0.00 0.00 175.10 174.14 2pdz s VAL 79 N 1.84 3.92 -0.25 2.92 1.01 -1.26 -1.21 120.40 127.36 2pdz s VAL 79 Ca 0.41 0.85 -0.03 0.00 0.00 0.00 0.00 61.98 63.21 2pdz s VAL 79 Cb -0.03 -4.47 0.02 0.00 0.00 0.00 0.00 36.38 31.90 2pdz s VAL 79 CO -0.02 -1.09 -0.03 -0.76 0.00 0.00 0.00 175.10 173.20 2pdz s LEU 80 N 5.48 3.28 0.02 3.92 1.43 0.32 0.17 118.68 133.31 2pdz s LEU 80 Ca 0.52 -0.77 -0.30 0.00 -1.03 0.00 0.00 54.13 52.54 2pdz s LEU 80 Cb -0.10 -1.72 -0.07 0.00 0.03 0.00 0.00 46.19 44.33 2pdz s LEU 80 CO 0.28 -0.13 1.53 -0.70 0.23 0.00 0.00 176.35 177.56 2pdz s GLU 81 N 1.38 4.23 0.00 1.70 2.56 0.04 -1.94 118.70 126.68 2pdz s GLU 81 Ca 0.01 2.14 0.08 0.00 0.00 0.00 0.00 54.97 57.20 2pdz s GLU 81 Cb -0.16 -3.62 -0.02 0.00 2.00 0.00 0.00 34.13 32.32 2pdz s GLU 81 CO -0.03 -0.67 -0.24 0.54 -0.56 0.00 0.00 175.26 174.30 2pdz s VAL 82 N 2.66 1.90 -0.94 3.70 0.11 -0.65 -1.65 120.40 125.55 2pdz s VAL 82 Ca 0.69 -1.12 -0.04 0.00 -2.93 0.00 0.00 61.98 58.58 2pdz s VAL 82 Cb -0.35 -1.60 0.23 0.00 -1.53 0.00 0.00 36.38 33.13 2pdz s VAL 82 CO 0.29 0.45 0.85 -0.75 -3.33 0.00 0.00 175.10 172.62 2pdz s LYS 83 N -0.78 3.50 -0.14 1.54 2.20 0.13 0.16 119.74 126.34 2pdz s LYS 83 Ca 0.09 -3.19 -0.38 0.00 -0.36 0.00 0.00 55.97 52.14 2pdz s LYS 83 Cb -0.09 -4.13 -0.15 0.00 -1.51 0.00 0.00 37.83 31.96 2pdz s LYS 83 CO 0.00 -1.25 1.72 0.98 -0.36 0.00 0.00 175.35 176.43 2pdz n TYR 84 N 2.56 2.07 -1.70 4.03 4.19 -1.26 -2.47 117.16 124.58 2pdz n TYR 84 Ca 0.21 0.38 -0.34 0.00 3.31 0.00 0.00 57.90 61.46 2pdz n TYR 84 Cb 0.38 -2.51 0.01 0.00 0.49 0.00 0.00 39.34 37.71 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 5.20 2.59 0.00 2.98 2.81 -0.04 -4.67 117.12 125.99 2pdz n MET 85 Ca 0.24 -3.03 0.14 0.00 -1.81 0.00 0.00 57.70 53.23 2pdz n MET 85 Cb 0.19 -2.20 0.44 0.00 -0.71 0.00 0.00 33.22 30.94 2pdz n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65