#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 1.13 -0.12 5.56 0.52 0.35 -4.77 118.95 121.62 2pdz s ARG 2 Ca 0.00 -1.11 -0.01 0.00 -0.52 0.00 0.00 55.73 54.09 2pdz s ARG 2 Cb 0.00 0.38 0.03 0.00 0.52 0.00 0.00 34.95 35.89 2pdz s ARG 2 CO 0.00 -0.41 -0.03 1.03 0.02 0.00 0.00 175.30 175.91 2pdz s ARG 3 N -3.94 1.03 -0.08 3.54 1.81 -1.26 -1.48 118.95 118.57 2pdz s ARG 3 Ca 0.15 -0.20 0.01 0.00 -1.72 0.00 0.00 55.73 53.97 2pdz s ARG 3 Cb 0.03 -1.52 0.02 0.00 -0.45 0.00 0.00 34.95 33.02 2pdz s ARG 3 CO -0.02 -0.37 -0.10 0.08 -0.68 0.00 0.00 175.30 174.21 2pdz s VAL 4 N 1.81 1.03 -0.09 3.52 1.01 -0.80 -4.95 120.40 121.93 2pdz s VAL 4 Ca 0.03 -0.38 0.04 0.00 0.00 0.00 0.00 61.98 61.67 2pdz s VAL 4 Cb -0.14 -0.98 -0.00 0.00 0.00 0.00 0.00 36.38 35.26 2pdz s VAL 4 CO -0.07 0.34 -0.24 -0.89 0.00 0.00 0.00 175.10 174.25 2pdz s THR 5 N 1.01 2.09 -0.27 3.92 2.01 -1.26 0.46 115.64 123.60 2pdz s THR 5 Ca -0.08 -1.01 0.00 0.00 0.31 0.00 0.00 61.69 60.91 2pdz s THR 5 Cb -0.15 -1.79 0.05 0.00 0.01 0.00 0.00 72.50 70.62 2pdz s THR 5 CO -0.00 0.56 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.73 2pdz s VAL 6 N 0.26 2.59 -0.80 3.82 1.01 -0.02 -4.88 120.40 122.38 2pdz s VAL 6 Ca -0.16 -1.42 -0.25 0.00 0.00 0.00 0.00 61.98 60.14 2pdz s VAL 6 Cb -0.17 -2.46 -0.02 0.00 0.00 0.00 0.00 36.38 33.73 2pdz s VAL 6 CO 0.08 -0.01 1.78 -0.13 0.00 0.00 0.00 175.10 176.82 2pdz s ARG 7 N 1.20 2.79 -0.50 2.72 0.52 -1.26 0.28 118.95 124.70 2pdz s ARG 7 Ca -0.06 -0.10 -0.26 0.00 -0.52 0.00 0.00 55.73 54.80 2pdz s ARG 7 Cb -0.19 -4.78 -0.06 0.00 0.52 0.00 0.00 34.95 30.43 2pdz s ARG 7 CO -0.04 -2.87 2.35 0.15 0.02 0.00 0.00 175.30 174.91 2pdz s LYS 8 N 6.60 2.17 -0.46 3.54 -0.14 0.48 -4.79 119.74 127.14 2pdz s LYS 8 Ca 0.62 1.33 0.02 0.00 -1.36 0.00 0.00 55.97 56.58 2pdz s LYS 8 Cb -0.08 -4.56 0.57 0.00 -1.68 0.00 0.00 37.83 32.08 2pdz s LYS 8 CO 0.07 -3.21 1.89 0.00 -0.76 0.00 0.00 175.35 173.34 2pdz n ALA 9 N 15.54 5.55 -2.37 5.17 0.00 -1.26 -4.70 120.51 138.43 2pdz n ALA 9 Ca 0.35 -2.79 -0.01 0.00 0.00 0.00 0.00 53.44 50.99 2pdz n ALA 9 Cb 0.54 -1.49 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 2pdz n ALA 9 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pdz n ASP 10 N -0.94 -7.06 -2.68 0.00 8.00 -1.26 -5.05 116.55 107.56 2pdz n ASP 10 Ca 0.56 1.68 -0.03 0.00 0.71 0.00 0.00 54.79 57.71 2pdz n ASP 10 Cb 1.36 -4.71 0.03 0.00 -0.02 0.00 0.00 41.12 37.78 2pdz n ASP 10 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pdz s ALA 11 N -0.52 -4.38 0.00 2.24 0.00 -1.26 -4.99 121.76 112.84 2pdz s ALA 11 Ca -0.04 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.46 2pdz s ALA 11 Cb 0.00 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.15 2pdz s ALA 11 CO 0.12 -2.52 0.00 0.41 0.00 0.00 0.00 175.76 173.77 2pdz n GLY 12 N 2.61 1.09 0.00 0.00 0.00 -1.26 -4.72 105.19 102.91 2pdz n GLY 12 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 0.00 -0.76 0.01 -0.02 0.00 -1.26 -5.01 105.19 98.15 2pdz n GLY 13 Ca 0.00 -0.33 0.09 0.00 0.00 0.00 0.00 46.02 45.78 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 0.03 -2.56 0.99 0.00 -1.26 -4.55 117.00 109.65 2pdz n LEU 14 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 56.01 55.95 2pdz n LEU 14 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2pdz n LEU 14 CO 0.00 0.01 0.12 0.61 0.00 0.00 0.00 177.39 178.13 2pdz n GLY 15 N 1.43 -1.09 3.40 -3.96 0.00 -1.26 -1.45 105.19 102.25 2pdz n GLY 15 Ca -0.03 0.67 0.02 0.00 0.00 0.00 0.00 46.02 46.68 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 -2.50 -0.69 -0.66 -0.61 2.07 -1.26 -3.06 121.20 114.49 2pdz s ILE 16 Ca 0.11 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.28 2pdz s ILE 16 Cb -0.03 -1.00 0.17 0.00 0.13 0.00 0.00 42.46 41.73 2pdz s ILE 16 CO 0.56 0.00 0.53 -0.55 -1.91 0.00 0.00 174.94 173.57 2pdz s SER 17 N 2.70 5.83 0.47 4.50 0.15 -0.48 -4.99 113.70 121.87 2pdz s SER 17 Ca 0.00 -2.61 -0.23 0.00 0.70 0.00 0.00 55.95 53.82 2pdz s SER 17 Cb -0.10 -2.00 -0.07 0.00 -1.71 0.00 0.00 66.02 62.14 2pdz s SER 17 CO -0.18 -0.50 1.18 0.27 1.20 0.00 0.00 173.24 175.21 2pdz s ILE 18 N 0.30 3.03 -0.10 6.45 -4.36 -1.26 -1.68 121.20 123.58 2pdz s ILE 18 Ca 0.15 0.76 -0.02 0.00 -0.26 0.00 0.00 60.65 61.29 2pdz s ILE 18 Cb -0.18 -3.38 0.04 0.00 1.25 0.00 0.00 42.46 40.18 2pdz s ILE 18 CO -0.05 -0.02 0.01 -0.75 0.24 0.00 0.00 174.94 174.37 2pdz s LYS 19 N -2.76 0.61 0.00 0.37 2.20 0.32 -4.77 119.74 115.71 2pdz s LYS 19 Ca 0.65 -0.02 0.00 0.00 -0.36 0.00 0.00 55.97 56.23 2pdz s LYS 19 Cb -0.29 -1.27 0.00 0.00 -1.51 0.00 0.00 37.83 34.75 2pdz s LYS 19 CO 0.35 -0.39 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 2pdz n GLY 20 N 5.13 -0.43 0.00 5.54 0.00 -1.26 -1.94 105.19 112.23 2pdz n GLY 20 Ca -0.08 -1.00 0.00 0.00 0.00 0.00 0.00 46.02 44.95 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 3.86 0.15 -0.02 0.00 -1.21 -4.61 105.19 103.36 2pdz n GLY 21 Ca 0.00 -0.26 0.11 0.00 0.00 0.00 0.00 46.02 45.86 2pdz n GLY 21 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2pdz n ARG 22 N -0.68 0.14 -0.01 1.61 0.63 -1.25 -0.95 116.66 116.14 2pdz n ARG 22 Ca 0.00 0.60 0.12 0.00 -0.92 0.00 0.00 57.85 57.65 2pdz n ARG 22 Cb 0.00 -1.92 0.66 0.00 0.45 0.00 0.00 32.46 31.65 2pdz n ARG 22 CO 0.00 0.00 0.00 -0.85 -2.51 0.00 0.00 177.63 174.27 2pdz n GLU 23 N -2.21 1.19 -1.12 -0.14 -0.00 -1.26 -3.53 120.64 113.58 2pdz n GLU 23 Ca -0.01 -0.28 0.03 0.00 -0.00 0.00 0.00 57.16 56.90 2pdz n GLU 23 Cb 0.06 -1.40 0.03 0.00 -0.00 0.00 0.00 31.44 30.13 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 -0.58 0.78 -3.15 -1.84 3.02 -0.13 -5.03 115.26 108.33 2pdz n ASN 24 Ca 0.18 -2.14 -0.10 0.00 -0.03 0.00 0.00 54.58 52.50 2pdz n ASN 24 Cb 0.16 -0.29 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 0.21 -1.75 -3.61 3.52 4.81 -1.21 -4.91 118.16 115.22 2pdz n LYS 25 Ca 0.05 1.58 -0.01 0.00 -0.87 0.00 0.00 58.31 59.06 2pdz n LYS 25 Cb 0.98 -4.84 -0.04 0.00 0.02 0.00 0.00 35.03 31.14 2pdz n LYS 25 CO 0.00 0.00 0.00 -1.64 1.17 0.00 0.00 177.40 176.93 2pdz s MET 26 N -3.11 0.53 -0.29 1.64 -1.94 -1.20 -4.95 119.30 109.98 2pdz s MET 26 Ca 0.12 1.32 -0.05 0.00 -1.71 0.00 0.00 55.69 55.37 2pdz s MET 26 Cb -0.03 0.77 -0.14 0.00 2.01 0.00 0.00 34.83 37.45 2pdz s MET 26 CO 0.79 -0.18 2.41 -0.35 -0.01 0.00 0.00 175.02 177.68 2pdz n PRO 27 N 5.31 1.57 -3.19 2.03 -0.04 -1.26 -3.36 135.00 136.06 2pdz n PRO 27 Ca -0.12 -0.90 -0.10 0.00 -0.04 0.00 0.00 63.50 62.35 2pdz n PRO 27 Cb 0.50 -2.01 0.01 0.00 -0.04 0.00 0.00 33.50 31.96 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 3.09 -4.12 -3.63 0.52 2.08 -1.26 -2.00 119.36 114.04 2pdz n ILE 28 Ca 0.34 0.59 -0.36 0.00 0.56 0.00 0.00 62.75 63.87 2pdz n ILE 28 Cb 0.46 -3.81 -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 -1.49 4.28 0.29 1.39 1.43 -0.82 -1.07 118.68 122.69 2pdz s LEU 29 Ca 0.10 0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 53.39 2pdz s LEU 29 Cb -0.01 -2.28 -0.10 0.00 0.03 0.00 0.00 46.19 43.82 2pdz s LEU 29 CO 0.34 0.18 1.39 -0.63 0.23 0.00 0.00 176.35 177.86 2pdz s ILE 30 N 0.10 2.65 -0.00 -0.59 1.01 -0.17 0.12 121.20 124.32 2pdz s ILE 30 Ca 0.15 0.59 0.00 0.00 0.00 0.00 0.00 60.65 61.39 2pdz s ILE 30 Cb -0.13 -3.37 -0.00 0.00 0.01 0.00 0.00 42.46 38.97 2pdz s ILE 30 CO 0.03 0.11 0.00 -0.24 0.00 0.00 0.00 174.94 174.85 2pdz n SER 31 N 1.65 4.93 -3.71 3.58 2.88 -0.68 -0.15 113.62 122.13 2pdz n SER 31 Ca 0.04 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.28 2pdz n SER 31 Cb 0.41 0.53 -0.15 0.00 -0.75 0.00 0.00 64.21 64.24 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 -2.01 0.64 -0.53 -1.46 2.20 -1.12 -4.83 119.74 112.62 2pdz s LYS 32 Ca -0.00 -0.90 -0.23 0.00 -0.36 0.00 0.00 55.97 54.47 2pdz s LYS 32 Cb 0.00 -1.88 0.04 0.00 -1.51 0.00 0.00 37.83 34.48 2pdz s LYS 32 CO 0.01 -0.94 0.88 0.42 -0.36 0.00 0.00 175.35 175.36 2pdz s ILE 33 N 1.72 4.48 0.08 5.43 -1.09 -1.26 -1.38 121.20 129.18 2pdz s ILE 33 Ca 0.08 0.18 -0.31 0.00 -2.23 0.00 0.00 60.65 58.37 2pdz s ILE 33 Cb -0.17 -4.48 -0.10 0.00 -1.58 0.00 0.00 42.46 36.12 2pdz s ILE 33 CO -0.25 -1.03 1.88 0.49 -1.23 0.00 0.00 174.94 174.81 2pdz n PHE 34 N 7.20 2.55 -2.54 3.97 3.01 -1.17 -4.90 117.46 125.58 2pdz n PHE 34 Ca 0.01 -0.21 -0.36 0.00 1.01 0.00 0.00 57.45 57.89 2pdz n PHE 34 Cb 0.47 -2.75 -0.04 0.00 -0.01 0.00 0.00 39.48 37.15 2pdz n PHE 34 CO 0.00 0.00 0.00 -1.59 1.01 0.00 0.00 176.76 176.18 2pdz s LYS 35 N 3.41 4.15 0.00 -1.08 -2.85 -1.26 -2.87 119.74 119.24 2pdz s LYS 35 Ca 0.85 1.50 0.00 0.00 -1.00 0.00 0.00 55.97 57.33 2pdz s LYS 35 Cb -0.49 -2.52 0.00 0.00 -2.06 0.00 0.00 37.83 32.76 2pdz s LYS 35 CO 0.40 -0.15 0.00 0.41 0.10 0.00 0.00 175.35 176.11 2pdz n GLY 36 N 0.31 0.90 3.97 0.59 0.00 -1.26 -5.01 105.19 104.69 2pdz n GLY 36 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 4.07 0.16 0.99 2.01 -1.14 -4.88 118.68 119.89 2pdz s LEU 37 Ca 0.00 -0.12 -0.24 0.00 0.01 0.00 0.00 54.13 53.78 2pdz s LEU 37 Cb 0.00 -2.74 0.04 0.00 0.01 0.00 0.00 46.19 43.51 2pdz s LEU 37 CO 0.00 -0.28 1.58 0.00 1.01 0.00 0.00 176.35 178.67 2pdz h ALA 38 N 1.05 -0.27 -0.56 4.21 0.00 -1.80 0.59 119.26 122.48 2pdz h ALA 38 Ca -0.48 0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.64 2pdz h ALA 38 Cb 1.25 0.81 -0.09 0.00 0.00 0.00 0.00 17.79 19.76 2pdz h ALA 38 CO 0.56 -0.78 0.06 0.00 0.00 0.00 0.00 179.25 179.09 2pdz h ALA 39 N 0.65 0.61 -0.09 0.00 0.00 -1.44 0.78 119.26 119.76 2pdz h ALA 39 Ca 0.17 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2pdz h ALA 39 Cb 0.56 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2pdz h ALA 39 CO -0.59 -0.35 0.00 -3.47 0.00 0.00 0.00 179.25 174.84 2pdz n ASP 40 N -5.19 1.12 -0.95 0.00 -0.08 -0.41 -3.62 116.55 107.42 2pdz n ASP 40 Ca 0.08 -1.56 0.10 0.00 -1.51 0.00 0.00 54.79 51.89 2pdz n ASP 40 Cb 0.31 -0.06 0.17 0.00 2.34 0.00 0.00 41.12 43.88 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 -0.06 2.21 -0.40 -0.67 6.02 0.19 -4.29 117.38 120.38 2pdz n GLN 41 Ca 0.16 -2.04 0.08 0.00 -0.01 0.00 0.00 57.00 55.19 2pdz n GLN 41 Cb 0.25 -1.42 0.25 0.00 1.02 0.00 0.00 30.24 30.34 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 1.20 1.67 -3.94 5.09 5.66 -1.11 -4.98 114.28 117.87 2pdz n THR 42 Ca 0.16 -1.34 -0.35 0.00 -3.05 0.00 0.00 64.05 59.46 2pdz n THR 42 Cb 0.52 0.14 0.01 0.00 -1.55 0.00 0.00 70.33 69.46 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 0.38 -1.30 0.00 1.09 1.02 -1.26 -4.67 120.64 115.90 2pdz n GLU 43 Ca 0.19 0.28 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 2pdz n GLU 43 Cb 0.72 -3.62 0.00 0.00 -0.02 0.00 0.00 31.44 28.52 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 -4.56 0.00 -2.09 0.62 0.00 -1.26 -5.02 120.51 108.19 2pdz n ALA 44 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 52.99 2pdz n ALA 44 Cb 0.61 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.01 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 -3.97 3.14 0.06 0.00 2.96 -1.24 -4.90 118.68 114.72 2pdz s LEU 45 Ca 0.00 -1.28 0.05 0.00 -0.22 0.00 0.00 54.13 52.68 2pdz s LEU 45 Cb 0.00 -2.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 2pdz s LEU 45 CO 0.00 -2.83 -0.06 0.72 -1.32 0.00 0.00 176.35 172.86 2pdz s PHE 46 N 10.21 2.86 0.48 5.38 -0.12 -1.26 -4.39 117.98 131.15 2pdz s PHE 46 Ca 0.68 -0.07 -0.21 0.00 -0.05 0.00 0.00 56.93 57.28 2pdz s PHE 46 Cb -0.03 -1.53 -0.11 0.00 -0.63 0.00 0.00 43.02 40.71 2pdz s PHE 46 CO 0.07 0.42 0.52 0.28 -0.05 0.00 0.00 175.22 176.45 2pdz n VAL 47 N 1.04 1.88 -0.98 -2.49 0.31 -1.26 -3.02 118.33 113.81 2pdz n VAL 47 Ca -0.14 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 2pdz n VAL 47 Cb 0.52 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 32.86 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 1.79 0.92 3.23 2.92 0.00 0.79 -4.95 105.19 109.90 2pdz n GLY 48 Ca 0.11 -0.56 -0.38 0.00 0.00 0.00 0.00 46.02 45.20 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 -2.58 5.32 -0.49 1.61 1.01 -1.17 -1.20 116.67 119.18 2pdz s ASP 49 Ca 0.00 -1.42 -0.26 0.00 0.71 0.00 0.00 52.55 51.58 2pdz s ASP 49 Cb 0.00 -1.87 0.03 0.00 1.01 0.00 0.00 42.92 42.09 2pdz s ASP 49 CO 0.00 -0.41 0.97 0.00 0.21 0.00 0.00 175.17 175.94 2pdz s ALA 50 N 1.34 3.19 0.18 5.23 0.00 -1.03 -1.00 121.76 129.68 2pdz s ALA 50 Ca 0.01 -0.85 -0.30 0.00 0.00 0.00 0.00 51.96 50.82 2pdz s ALA 50 Cb -0.21 -3.72 -0.08 0.00 0.00 0.00 0.00 23.12 19.12 2pdz s ALA 50 CO 0.01 -2.19 1.06 0.42 0.00 0.00 0.00 175.76 175.06 2pdz s ILE 51 N 3.96 3.96 -0.05 0.00 1.01 -0.23 0.22 121.20 130.05 2pdz s ILE 51 Ca 0.37 1.72 0.08 0.00 0.00 0.00 0.00 60.65 62.83 2pdz s ILE 51 Cb -0.10 -4.10 0.12 0.00 0.01 0.00 0.00 42.46 38.39 2pdz s ILE 51 CO 0.26 0.31 1.01 0.18 0.00 0.00 0.00 174.94 176.70 2pdz n LEU 52 N 2.27 1.68 0.00 2.97 7.99 -0.45 -4.45 117.00 127.02 2pdz n LEU 52 Ca 0.02 -2.13 0.00 0.00 -0.01 0.00 0.00 56.01 53.89 2pdz n LEU 52 Cb 0.47 -0.18 0.00 0.00 -0.11 0.00 0.00 43.42 43.59 2pdz n LEU 52 CO 0.53 0.50 0.00 -0.24 -1.51 0.00 0.00 177.39 176.67 2pdz n SER 53 N -0.78 0.00 -3.91 -1.43 2.88 -1.26 -0.96 113.62 108.16 2pdz n SER 53 Ca 0.07 0.00 -0.28 0.00 -1.33 0.00 0.00 58.87 57.33 2pdz n SER 53 Cb 0.50 0.00 -0.17 0.00 -0.75 0.00 0.00 64.21 63.79 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 -0.59 1.13 -1.46 2.46 -7.23 -0.73 -1.43 120.40 112.55 2pdz s VAL 54 Ca 0.00 -0.47 -0.10 0.00 -1.81 0.00 0.00 61.98 59.60 2pdz s VAL 54 Cb 0.00 -1.20 0.06 0.00 0.56 0.00 0.00 36.38 35.80 2pdz s VAL 54 CO 0.00 0.29 0.82 0.59 -0.31 0.00 0.00 175.10 176.48 2pdz n ASN 55 N 4.89 -5.08 0.00 4.85 3.02 0.35 -1.35 115.26 121.94 2pdz n ASN 55 Ca -0.13 -0.55 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 2pdz n ASN 55 Cb 0.49 -4.09 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 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 -1.58 0.62 2.99 7.41 0.00 -1.26 -4.99 105.19 108.38 2pdz n GLY 56 Ca -0.01 -0.78 -0.31 0.00 0.00 0.00 0.00 46.02 44.93 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 -2.88 1.91 -0.42 1.61 2.02 -0.45 -5.06 118.70 115.42 2pdz s GLU 57 Ca 0.00 -2.38 -0.41 0.00 0.02 0.00 0.00 54.97 52.20 2pdz s GLU 57 Cb 0.00 -3.34 -0.16 0.00 0.10 0.00 0.00 34.13 30.73 2pdz s GLU 57 CO 0.00 -1.07 2.08 -0.25 0.02 0.00 0.00 175.26 176.04 2pdz n ASP 58 N 3.51 1.48 -1.63 -0.19 8.00 -1.26 -1.78 116.55 124.68 2pdz n ASP 58 Ca 0.05 0.66 0.08 0.00 0.71 0.00 0.00 54.79 56.29 2pdz n ASP 58 Cb 0.36 -1.06 0.37 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 7.90 5.06 0.02 0.64 7.99 -0.13 -4.53 117.00 133.95 2pdz n LEU 59 Ca 0.45 -2.68 -0.13 0.00 -0.01 0.00 0.00 56.01 53.64 2pdz n LEU 59 Cb 0.08 -0.61 -0.09 0.00 -0.11 0.00 0.00 43.42 42.69 2pdz n LEU 59 CO 0.83 0.73 0.71 -1.28 -1.51 0.00 0.00 177.39 176.86 2pdz h SER 60 N 3.82 -0.03 -0.91 -1.43 0.87 -1.86 -3.11 113.55 110.89 2pdz h SER 60 Ca 0.00 -0.30 -0.57 0.00 -1.23 0.00 0.00 61.79 59.69 2pdz h SER 60 Cb 1.66 0.01 -0.27 0.00 -0.44 0.00 0.00 62.40 63.35 2pdz h SER 60 CO 0.33 0.29 0.74 -0.24 -0.53 0.00 0.00 176.83 177.42 2pdz n SER 61 N -4.96 6.22 -4.48 6.23 2.88 -1.26 -4.94 113.62 113.32 2pdz n SER 61 Ca -0.08 -3.60 -0.30 0.00 -1.33 0.00 0.00 58.87 53.56 2pdz n SER 61 Cb 0.18 -0.93 -0.12 0.00 -0.75 0.00 0.00 64.21 62.59 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 2.66 0.78 -1.46 0.00 -1.18 -5.10 121.76 114.12 2pdz s ALA 62 Ca 0.57 -1.34 -0.10 0.00 0.00 0.00 0.00 51.96 51.09 2pdz s ALA 62 Cb 0.46 -0.65 0.09 0.00 0.00 0.00 0.00 23.12 23.02 2pdz s ALA 62 CO 0.03 0.59 1.12 0.95 0.00 0.00 0.00 175.76 178.44 2pdz s THR 63 N -1.11 2.13 0.62 0.00 -4.23 -1.26 -4.00 115.64 107.78 2pdz s THR 63 Ca 0.17 -0.15 0.32 0.00 -1.18 0.00 0.00 61.69 60.85 2pdz s THR 63 Cb -0.11 -2.98 0.37 0.00 1.34 0.00 0.00 72.50 71.13 2pdz s THR 63 CO 0.09 0.00 2.11 -0.74 -0.54 0.00 0.00 174.62 175.55 2pdz h HIS 64 N -0.91 0.00 0.09 3.99 2.76 -1.87 -0.68 115.15 118.53 2pdz h HIS 64 Ca -0.45 0.00 -0.22 0.00 -2.20 0.00 0.00 60.37 57.51 2pdz h HIS 64 Cb 1.31 0.00 0.02 0.00 1.55 0.00 0.00 27.41 30.29 2pdz h HIS 64 CO 0.08 0.00 -0.91 -0.44 -1.30 0.00 0.00 177.93 175.36 2pdz h ASP 65 N 0.00 0.64 0.53 3.26 5.19 -1.93 -2.39 116.42 121.72 2pdz h ASP 65 Ca 0.06 -0.85 -0.01 0.00 -0.62 0.00 0.00 57.03 55.61 2pdz h ASP 65 Cb 0.45 -0.20 -0.00 0.00 0.18 0.00 0.00 39.33 39.75 2pdz h ASP 65 CO -0.00 1.42 -0.03 -0.33 -3.12 0.00 0.00 179.24 177.18 2pdz h GLU 66 N -0.05 0.00 0.09 3.56 5.08 -1.49 -1.69 114.58 120.07 2pdz h GLU 66 Ca -0.14 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.00 2pdz h GLU 66 Cb 1.64 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.89 2pdz h GLU 66 CO 0.17 0.03 -1.10 0.00 -1.00 0.00 0.00 179.01 177.12 2pdz h ALA 67 N 1.97 0.11 -0.08 3.43 0.00 -1.31 -3.30 119.26 120.07 2pdz h ALA 67 Ca -0.00 -0.95 -0.08 0.00 0.00 0.00 0.00 54.91 53.88 2pdz h ALA 67 Cb 0.31 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2pdz h ALA 67 CO 0.00 0.62 -0.31 0.28 0.00 0.00 0.00 179.25 179.84 2pdz h VAL 68 N -0.49 1.26 -0.83 0.00 2.07 -1.26 -2.56 116.25 114.44 2pdz h VAL 68 Ca -0.24 -1.21 0.05 0.00 0.82 0.00 0.00 66.70 66.12 2pdz h VAL 68 Cb 1.59 1.54 -0.06 0.00 -1.52 0.00 0.00 31.29 32.84 2pdz h VAL 68 CO 0.04 0.36 0.52 1.56 0.02 0.00 0.00 177.57 180.06 2pdz h GLN 69 N 0.14 0.93 -0.20 1.57 7.50 -1.43 -0.74 115.11 122.89 2pdz h GLN 69 Ca 0.02 -0.06 -0.05 0.00 0.50 0.00 0.00 58.65 59.06 2pdz h GLN 69 Cb 0.63 -0.21 -0.01 0.00 0.05 0.00 0.00 27.48 27.94 2pdz h GLN 69 CO 0.05 0.62 -0.07 0.00 -1.50 0.00 0.00 178.83 177.92 2pdz h ALA 70 N 1.38 0.28 -0.70 3.87 0.00 -1.55 -1.58 119.26 120.97 2pdz h ALA 70 Ca 0.35 -0.27 0.20 0.00 0.00 0.00 0.00 54.91 55.19 2pdz h ALA 70 Cb 0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 2pdz h ALA 70 CO -0.15 0.09 0.51 -0.07 0.00 0.00 0.00 179.25 179.63 2pdz h LEU 71 N 0.12 0.00 0.23 0.00 -0.00 -1.00 1.23 115.31 115.88 2pdz h LEU 71 Ca 0.05 0.00 -0.34 0.00 -0.00 0.00 0.00 57.88 57.59 2pdz h LEU 71 Cb 0.55 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.23 2pdz h LEU 71 CO 0.03 0.00 -1.58 0.11 -0.00 0.00 0.00 178.44 177.00 2pdz h LYS 72 N 0.00 0.48 -0.66 1.13 1.57 -0.70 -3.34 116.57 115.06 2pdz h LYS 72 Ca 0.33 -0.82 -0.42 0.00 -1.87 0.00 0.00 60.65 57.87 2pdz h LYS 72 Cb 1.35 0.31 -0.25 0.00 0.08 0.00 0.00 32.23 33.72 2pdz h LYS 72 CO -0.00 1.39 0.01 1.63 -0.57 0.00 0.00 179.45 181.92 2pdz n LYS 73 N -3.68 2.50 0.00 3.15 5.02 -0.26 -4.85 118.16 120.03 2pdz n LYS 73 Ca -0.20 -3.44 0.00 0.00 -2.02 0.00 0.00 58.31 52.65 2pdz n LYS 73 Cb 1.09 -2.07 0.00 0.00 -0.02 0.00 0.00 35.03 34.03 2pdz n LYS 73 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2pdz n THR 74 N -0.98 0.00 -0.44 -0.18 -2.24 0.41 -4.93 114.28 105.91 2pdz n THR 74 Ca 0.45 1.01 0.00 0.00 -2.27 0.00 0.00 64.05 63.24 2pdz n THR 74 Cb 1.00 -1.81 0.00 0.00 -2.10 0.00 0.00 70.33 67.43 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 -0.70 -0.28 0.34 3.38 0.00 -1.26 -4.90 105.19 101.76 2pdz n GLY 75 Ca 0.00 -1.70 0.12 0.00 0.00 0.00 0.00 46.02 44.44 2pdz n GLY 75 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2pdz h LYS 76 N 4.16 0.63 -4.88 1.61 2.10 -1.94 -3.36 116.57 114.89 2pdz h LYS 76 Ca 0.00 -0.04 -0.67 0.00 -2.00 0.00 0.00 60.65 57.94 2pdz h LYS 76 Cb 0.00 -0.14 -0.34 0.00 -0.90 0.00 0.00 32.23 30.84 2pdz h LYS 76 CO 0.00 0.42 -0.77 -1.83 -2.00 0.00 0.00 179.45 175.27 2pdz s GLU 77 N -5.88 2.53 -1.15 0.07 -1.05 -1.26 -0.38 118.70 111.58 2pdz s GLU 77 Ca -0.11 -1.17 -0.18 0.00 -0.15 0.00 0.00 54.97 53.36 2pdz s GLU 77 Cb 0.25 -2.94 0.11 0.00 -0.44 0.00 0.00 34.13 31.11 2pdz s GLU 77 CO 0.79 -0.49 1.48 0.08 0.95 0.00 0.00 175.26 178.07 2pdz s VAL 78 N 1.22 4.50 -0.26 1.83 1.01 0.14 -4.85 120.40 123.99 2pdz s VAL 78 Ca -0.04 -1.89 -0.29 0.00 0.00 0.00 0.00 61.98 59.76 2pdz s VAL 78 Cb -0.18 -5.00 -0.00 0.00 0.00 0.00 0.00 36.38 31.19 2pdz s VAL 78 CO -0.05 -1.78 1.27 -0.69 0.00 0.00 0.00 175.10 173.84 2pdz s VAL 79 N 3.20 4.22 -0.18 2.92 1.01 -1.26 -0.84 120.40 129.48 2pdz s VAL 79 Ca 0.45 1.42 0.01 0.00 0.00 0.00 0.00 61.98 63.85 2pdz s VAL 79 Cb -0.01 -4.13 0.04 0.00 0.00 0.00 0.00 36.38 32.28 2pdz s VAL 79 CO -0.01 -0.37 -0.11 -0.76 0.00 0.00 0.00 175.10 173.85 2pdz s LEU 80 N 4.04 1.99 -0.10 3.92 1.43 0.17 0.13 118.68 130.27 2pdz s LEU 80 Ca 0.55 -0.73 -0.30 0.00 -1.03 0.00 0.00 54.13 52.62 2pdz s LEU 80 Cb -0.18 -1.17 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 2pdz s LEU 80 CO 0.20 -0.12 1.28 -0.70 0.23 0.00 0.00 176.35 177.24 2pdz s GLU 81 N 1.46 4.28 0.05 1.70 2.12 -0.52 -1.90 118.70 125.89 2pdz s GLU 81 Ca 0.01 1.74 0.09 0.00 0.36 0.00 0.00 54.97 57.17 2pdz s GLU 81 Cb -0.15 -3.68 -0.03 0.00 0.26 0.00 0.00 34.13 30.53 2pdz s GLU 81 CO -0.09 -0.61 -0.25 0.54 -0.54 0.00 0.00 175.26 174.32 2pdz s VAL 82 N 2.93 2.28 -0.67 3.70 0.11 -0.55 -1.34 120.40 126.85 2pdz s VAL 82 Ca 0.57 -1.36 -0.05 0.00 -2.93 0.00 0.00 61.98 58.22 2pdz s VAL 82 Cb -0.25 -1.90 0.17 0.00 -1.53 0.00 0.00 36.38 32.87 2pdz s VAL 82 CO 0.20 0.35 0.51 -0.75 -3.33 0.00 0.00 175.10 172.08 2pdz s LYS 83 N -1.30 2.78 0.04 1.54 2.47 0.13 0.13 119.74 125.53 2pdz s LYS 83 Ca 0.12 -2.55 -0.34 0.00 -1.56 0.00 0.00 55.97 51.65 2pdz s LYS 83 Cb -0.10 -3.87 -0.13 0.00 -1.46 0.00 0.00 37.83 32.28 2pdz s LYS 83 CO 0.03 -1.20 1.73 0.98 0.16 0.00 0.00 175.35 177.05 2pdz n TYR 84 N 3.53 2.30 -2.47 4.03 4.19 -1.26 -2.46 117.16 125.02 2pdz n TYR 84 Ca 0.09 0.13 -0.29 0.00 3.31 0.00 0.00 57.90 61.14 2pdz n TYR 84 Cb 0.39 -2.60 0.00 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 5.01 3.37 0.00 2.98 2.81 -0.34 -4.95 117.12 126.01 2pdz n MET 85 Ca 0.20 -4.42 0.08 0.00 -1.81 0.00 0.00 57.70 51.74 2pdz n MET 85 Cb 0.29 -2.26 0.45 0.00 -0.71 0.00 0.00 33.22 30.99 2pdz n MET 85 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84