#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 1.54 -0.06 2.89 0.52 0.43 -4.68 118.95 119.60 2pdz s ARG 2 Ca 0.00 -1.05 -0.02 0.00 -0.52 0.00 0.00 55.73 54.14 2pdz s ARG 2 Cb 0.00 0.52 0.04 0.00 0.52 0.00 0.00 34.95 36.03 2pdz s ARG 2 CO 0.00 -0.66 0.10 -0.98 0.02 0.00 0.00 175.30 173.78 2pdz s ARG 3 N -3.94 -0.02 -0.01 3.54 3.03 -1.26 -1.58 118.95 118.70 2pdz s ARG 3 Ca 0.15 0.44 0.03 0.00 2.03 0.00 0.00 55.73 58.38 2pdz s ARG 3 Cb -0.02 -0.38 -0.01 0.00 -1.03 0.00 0.00 34.95 33.51 2pdz s ARG 3 CO 0.04 -0.30 -0.10 0.08 -1.13 0.00 0.00 175.30 173.89 2pdz s VAL 4 N 2.10 0.82 -0.21 4.99 1.01 -0.78 -4.95 120.40 123.39 2pdz s VAL 4 Ca 0.03 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.58 2pdz s VAL 4 Cb -0.12 -0.69 0.03 0.00 0.00 0.00 0.00 36.38 35.60 2pdz s VAL 4 CO -0.04 0.24 -0.15 -0.89 0.00 0.00 0.00 175.10 174.25 2pdz s THR 5 N -0.19 2.24 -0.36 3.92 2.01 -1.26 0.68 115.64 122.67 2pdz s THR 5 Ca 0.03 -1.14 -0.11 0.00 0.31 0.00 0.00 61.69 60.78 2pdz s THR 5 Cb -0.05 -2.08 0.02 0.00 0.01 0.00 0.00 72.50 70.40 2pdz s THR 5 CO -0.00 0.33 0.20 -0.69 -0.69 0.00 0.00 174.62 173.77 2pdz s VAL 6 N 1.24 4.67 0.11 3.82 1.01 -0.54 -4.86 120.40 125.85 2pdz s VAL 6 Ca 0.00 -0.72 -0.31 0.00 0.00 0.00 0.00 61.98 60.96 2pdz s VAL 6 Cb -0.16 -3.55 -0.07 0.00 0.00 0.00 0.00 36.38 32.60 2pdz s VAL 6 CO -0.09 -0.17 1.27 -0.13 0.00 0.00 0.00 175.10 175.98 2pdz s ARG 7 N 1.58 4.40 0.00 2.72 0.52 -1.26 -0.45 118.95 126.46 2pdz s ARG 7 Ca 0.03 1.91 0.00 0.00 -0.52 0.00 0.00 55.73 57.15 2pdz s ARG 7 Cb -0.19 -3.28 0.00 0.00 0.52 0.00 0.00 34.95 32.00 2pdz s ARG 7 CO 0.07 -0.29 0.00 1.17 0.02 0.00 0.00 175.30 176.27 2pdz n LYS 8 N 3.61 1.96 -0.14 3.54 4.81 -0.51 -4.86 118.16 126.57 2pdz n LYS 8 Ca 0.09 0.00 0.02 0.00 -0.87 0.00 0.00 58.31 57.55 2pdz n LYS 8 Cb 0.44 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.49 2pdz n LYS 8 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2pdz n ALA 9 N -3.00 -0.41 -2.26 3.14 0.00 -1.26 -4.99 120.51 111.73 2pdz n ALA 9 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2pdz n ALA 9 Cb 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.31 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 -3.35 -8.85 0.00 0.00 9.92 -1.26 -4.00 116.55 109.01 2pdz n ASP 10 Ca 0.00 1.69 0.00 0.00 -0.53 0.00 0.00 54.79 55.95 2pdz n ASP 10 Cb 0.06 -4.99 0.00 0.00 -0.64 0.00 0.00 41.12 35.55 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 1.90 0.00 0.00 2.24 0.00 -1.26 -4.62 120.51 118.77 2pdz n ALA 11 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2pdz n ALA 11 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 2.20 3.57 0.00 0.00 -1.26 -5.08 105.19 104.62 2pdz n GLY 12 Ca 0.00 -0.64 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.02 0.04 -0.02 0.00 -1.26 -4.79 105.19 98.13 2pdz n GLY 13 Ca 0.00 -0.76 0.11 0.00 0.00 0.00 0.00 46.02 45.37 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 -3.39 0.54 -2.87 0.99 0.00 -1.26 -4.19 117.00 106.82 2pdz n LEU 14 Ca 0.10 -0.01 -0.04 0.00 0.00 0.00 0.00 56.01 56.05 2pdz n LEU 14 Cb 0.53 -0.06 0.00 0.00 0.00 0.00 0.00 43.42 43.89 2pdz n LEU 14 CO 0.50 0.02 -0.35 0.61 0.00 0.00 0.00 177.39 178.16 2pdz n GLY 15 N 1.33 -2.74 3.23 -3.96 0.00 -1.26 -2.58 105.19 99.20 2pdz n GLY 15 Ca 0.00 0.64 0.04 0.00 0.00 0.00 0.00 46.02 46.70 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 -1.77 -0.18 -0.40 -0.61 2.07 -1.26 -3.78 121.20 115.26 2pdz s ILE 16 Ca 0.08 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.29 2pdz s ILE 16 Cb -0.02 -1.00 0.10 0.00 0.13 0.00 0.00 42.46 41.67 2pdz s ILE 16 CO 0.68 0.00 0.19 -0.55 -1.91 0.00 0.00 174.94 173.35 2pdz s SER 17 N 2.31 5.25 0.47 4.50 0.15 -0.07 -4.98 113.70 121.34 2pdz s SER 17 Ca -0.01 -1.94 -0.20 0.00 0.70 0.00 0.00 55.95 54.50 2pdz s SER 17 Cb -0.04 -1.83 -0.09 0.00 -1.71 0.00 0.00 66.02 62.35 2pdz s SER 17 CO -0.15 -0.52 0.99 0.27 1.20 0.00 0.00 173.24 175.02 2pdz s ILE 18 N 1.16 4.22 -0.05 6.45 -4.36 -1.26 -1.69 121.20 125.68 2pdz s ILE 18 Ca 0.07 1.31 -0.01 0.00 -0.26 0.00 0.00 60.65 61.75 2pdz s ILE 18 Cb -0.23 -3.57 0.03 0.00 1.25 0.00 0.00 42.46 39.95 2pdz s ILE 18 CO -0.04 -0.37 0.02 -0.75 0.24 0.00 0.00 174.94 174.05 2pdz s LYS 19 N -3.40 0.26 0.00 0.37 2.20 0.14 -4.77 119.74 114.54 2pdz s LYS 19 Ca 0.63 0.21 0.00 0.00 -0.36 0.00 0.00 55.97 56.45 2pdz s LYS 19 Cb -0.12 -0.68 0.00 0.00 -1.51 0.00 0.00 37.83 35.53 2pdz s LYS 19 CO 0.19 -0.28 0.00 0.41 -0.36 0.00 0.00 175.35 175.32 2pdz n GLY 20 N 4.98 -0.43 0.00 5.54 0.00 -1.26 -1.90 105.19 112.12 2pdz n GLY 20 Ca -0.10 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.00 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 3.47 0.18 -0.02 0.00 -1.25 -4.70 105.19 102.88 2pdz n GLY 21 Ca 0.00 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.07 1.61 9.65 -1.74 -0.28 114.38 123.55 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 -0.85 2.80 0.00 0.00 179.97 181.92 2pdz n GLU 23 N -2.36 1.22 -0.87 0.20 0.28 -1.26 -3.48 120.64 114.37 2pdz n GLU 23 Ca -0.02 -0.33 0.01 0.00 -0.16 0.00 0.00 57.16 56.67 2pdz n GLU 23 Cb 0.04 -1.20 0.01 0.00 1.43 0.00 0.00 31.44 31.72 2pdz n GLU 23 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 2pdz n ASN 24 N -0.35 0.36 -3.40 -1.84 3.02 -0.12 -5.03 115.26 107.90 2pdz n ASN 24 Ca 0.09 -1.98 -0.17 0.00 -0.03 0.00 0.00 54.58 52.49 2pdz n ASN 24 Cb 0.11 -0.23 0.03 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 0.18 -1.51 -3.63 3.52 5.02 -1.23 -4.94 118.16 115.58 2pdz n LYS 25 Ca 0.02 0.94 -0.15 0.00 -2.02 0.00 0.00 58.31 57.09 2pdz n LYS 25 Cb 0.86 -4.74 -0.14 0.00 -0.02 0.00 0.00 35.03 30.99 2pdz n LYS 25 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2pdz s MET 26 N -4.50 0.12 -0.34 1.97 -1.94 -1.22 -5.01 119.30 108.39 2pdz s MET 26 Ca 0.24 0.58 -0.04 0.00 -1.71 0.00 0.00 55.69 54.76 2pdz s MET 26 Cb -0.07 -0.35 -0.09 0.00 2.01 0.00 0.00 34.83 36.33 2pdz s MET 26 CO 0.80 -0.37 1.97 -0.35 -0.01 0.00 0.00 175.02 177.06 2pdz n PRO 27 N 5.34 1.31 -3.19 2.03 -0.04 -1.26 -3.77 135.00 135.41 2pdz n PRO 27 Ca -0.05 -0.84 -0.06 0.00 -0.04 0.00 0.00 63.50 62.51 2pdz n PRO 27 Cb 0.50 -2.02 0.01 0.00 -0.04 0.00 0.00 33.50 31.95 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 3.44 -3.43 -3.72 0.52 2.08 -1.26 -1.67 119.36 115.33 2pdz n ILE 28 Ca 0.28 0.58 -0.36 0.00 0.56 0.00 0.00 62.75 63.81 2pdz n ILE 28 Cb 0.30 -3.54 -0.10 0.00 -0.75 0.00 0.00 39.64 35.55 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 -1.30 4.04 0.30 1.39 2.96 -0.80 -0.61 118.68 124.66 2pdz s LEU 29 Ca 0.06 0.09 -0.30 0.00 -0.22 0.00 0.00 54.13 53.77 2pdz s LEU 29 Cb -0.01 -2.07 -0.11 0.00 0.50 0.00 0.00 46.19 44.50 2pdz s LEU 29 CO 0.22 0.08 1.53 -0.63 -1.32 0.00 0.00 176.35 176.23 2pdz s ILE 30 N 0.95 2.22 0.00 6.68 1.01 -0.80 0.24 121.20 131.49 2pdz s ILE 30 Ca 0.07 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.91 2pdz s ILE 30 Cb -0.13 -3.12 0.00 0.00 0.01 0.00 0.00 42.46 39.22 2pdz s ILE 30 CO 0.03 0.03 0.00 -0.24 0.00 0.00 0.00 174.94 174.77 2pdz n SER 31 N 1.82 0.63 -3.33 3.58 2.88 -0.68 -0.89 113.62 117.64 2pdz n SER 31 Ca 0.06 -0.39 -0.08 0.00 -1.33 0.00 0.00 58.87 57.13 2pdz n SER 31 Cb 0.39 0.90 -0.07 0.00 -0.75 0.00 0.00 64.21 64.68 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 -1.03 0.38 -0.74 -1.46 2.20 -1.11 -4.91 119.74 113.08 2pdz s LYS 32 Ca 0.00 0.42 -0.17 0.00 -0.36 0.00 0.00 55.97 55.86 2pdz s LYS 32 Cb 0.00 -0.38 0.15 0.00 -1.51 0.00 0.00 37.83 36.09 2pdz s LYS 32 CO 0.00 -0.77 0.80 0.42 -0.36 0.00 0.00 175.35 175.44 2pdz s ILE 33 N 2.56 5.07 0.37 5.43 -1.09 -1.26 -0.89 121.20 131.40 2pdz s ILE 33 Ca 0.12 -1.62 -0.26 0.00 -2.23 0.00 0.00 60.65 56.66 2pdz s ILE 33 Cb -0.14 -4.54 -0.12 0.00 -1.58 0.00 0.00 42.46 36.08 2pdz s ILE 33 CO -0.21 -1.16 1.17 0.49 -1.23 0.00 0.00 174.94 174.00 2pdz n PHE 34 N 5.57 1.80 -2.26 3.97 3.01 -1.25 -4.85 117.46 123.46 2pdz n PHE 34 Ca 0.05 0.57 -0.25 0.00 1.01 0.00 0.00 57.45 58.82 2pdz n PHE 34 Cb 0.45 -2.33 0.08 0.00 -0.01 0.00 0.00 39.48 37.67 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 -1.94 2.03 -1.71 -1.08 -0.14 -1.26 -4.08 119.74 111.56 2pdz s LYS 35 Ca 0.59 -0.42 -0.01 0.00 -1.36 0.00 0.00 55.97 54.78 2pdz s LYS 35 Cb -0.57 -2.19 0.00 0.00 -1.68 0.00 0.00 37.83 33.39 2pdz s LYS 35 CO 0.59 -1.32 0.10 0.41 -0.76 0.00 0.00 175.35 174.38 2pdz n GLY 36 N -2.93 -0.48 3.15 -3.33 0.00 -1.26 -4.97 105.19 95.37 2pdz n GLY 36 Ca 0.09 -0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 -5.99 2.19 0.08 0.99 1.43 -1.26 -4.97 118.68 111.14 2pdz s LEU 37 Ca 0.05 -1.10 -0.20 0.00 -1.03 0.00 0.00 54.13 51.85 2pdz s LEU 37 Cb -0.02 0.14 -0.07 0.00 0.03 0.00 0.00 46.19 46.26 2pdz s LEU 37 CO 0.06 -0.61 1.33 0.00 0.23 0.00 0.00 176.35 177.36 2pdz h ALA 38 N 2.94 -0.62 -0.41 4.21 0.00 -1.73 0.96 119.26 124.61 2pdz h ALA 38 Ca -0.35 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.63 2pdz h ALA 38 Cb 1.18 0.93 -0.09 0.00 0.00 0.00 0.00 17.79 19.80 2pdz h ALA 38 CO 0.63 -0.76 -0.29 0.00 0.00 0.00 0.00 179.25 178.82 2pdz h ALA 39 N -0.60 -0.10 0.00 0.00 0.00 -1.70 0.75 119.26 117.61 2pdz h ALA 39 Ca 0.04 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2pdz h ALA 39 Cb 0.37 0.65 0.00 0.00 0.00 0.00 0.00 17.79 18.81 2pdz h ALA 39 CO -0.33 -0.68 0.00 -3.47 0.00 0.00 0.00 179.25 174.77 2pdz n ASP 40 N -5.41 0.00 -0.90 0.00 -0.08 -0.95 -3.03 116.55 106.18 2pdz n ASP 40 Ca 0.02 0.40 0.08 0.00 -1.51 0.00 0.00 54.79 53.77 2pdz n ASP 40 Cb 0.33 -0.46 0.22 0.00 2.34 0.00 0.00 41.12 43.54 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 -1.46 2.90 -0.46 -0.67 -0.00 0.33 -4.38 117.38 113.63 2pdz n GLN 41 Ca 0.07 -2.32 0.08 0.00 -0.00 0.00 0.00 57.00 54.83 2pdz n GLN 41 Cb 0.28 -1.42 0.27 0.00 -0.00 0.00 0.00 30.24 29.37 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 0.78 1.83 -3.87 -0.39 5.66 -0.34 -4.97 114.28 112.99 2pdz n THR 42 Ca 0.16 -1.40 -0.31 0.00 -3.05 0.00 0.00 64.05 59.46 2pdz n THR 42 Cb 0.54 0.07 0.01 0.00 -1.55 0.00 0.00 70.33 69.40 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 0.37 -1.99 0.00 1.09 0.00 -1.26 -4.63 120.64 114.22 2pdz n GLU 43 Ca 0.21 0.38 0.00 0.00 0.00 0.00 0.00 57.16 57.74 2pdz n GLU 43 Cb 0.79 -4.08 0.00 0.00 0.00 0.00 0.00 31.44 28.15 2pdz n GLU 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2pdz n ALA 44 N -4.40 0.00 -1.97 4.31 0.00 -1.26 -5.03 120.51 112.15 2pdz n ALA 44 Ca -0.20 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 52.99 2pdz n ALA 44 Cb 0.63 0.00 -0.07 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 -3.53 2.95 0.11 0.00 1.98 -1.17 -4.89 118.68 114.13 2pdz s LEU 45 Ca 0.00 -1.31 0.07 0.00 -2.89 0.00 0.00 54.13 50.00 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 -3.32 -0.10 0.72 -1.89 0.00 0.00 176.35 171.76 2pdz s PHE 46 N 11.97 2.74 1.07 5.38 -0.12 -1.26 -4.08 117.98 133.68 2pdz s PHE 46 Ca 0.72 -0.16 -0.19 0.00 -0.05 0.00 0.00 56.93 57.25 2pdz s PHE 46 Cb -0.03 -1.43 0.05 0.00 -0.63 0.00 0.00 43.02 40.98 2pdz s PHE 46 CO 0.11 0.43 -0.15 0.28 -0.05 0.00 0.00 175.22 175.85 2pdz n VAL 47 N 0.69 0.00 -2.20 -2.49 0.31 -1.26 -3.37 118.33 110.01 2pdz n VAL 47 Ca -0.13 -0.25 -0.10 0.00 -0.01 0.00 0.00 64.34 63.85 2pdz n VAL 47 Cb 0.52 -0.51 -0.00 0.00 -0.91 0.00 0.00 33.84 32.94 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 2.17 -0.02 3.10 2.92 0.00 -0.06 -4.88 105.19 108.42 2pdz n GLY 48 Ca 0.01 -0.48 -0.35 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 5.19 -0.53 1.61 1.01 -1.22 -0.43 116.67 119.72 2pdz s ASP 49 Ca 0.01 -2.09 -0.28 0.00 0.71 0.00 0.00 52.55 50.89 2pdz s ASP 49 Cb -0.00 -1.80 0.02 0.00 1.01 0.00 0.00 42.92 42.15 2pdz s ASP 49 CO 0.01 -0.51 1.27 0.00 0.21 0.00 0.00 175.17 176.14 2pdz s ALA 50 N 1.05 2.98 0.13 5.23 0.00 -1.01 -1.91 121.76 128.24 2pdz s ALA 50 Ca 0.09 -0.63 -0.30 0.00 0.00 0.00 0.00 51.96 51.11 2pdz s ALA 50 Cb -0.22 -4.02 -0.06 0.00 0.00 0.00 0.00 23.12 18.82 2pdz s ALA 50 CO -0.05 -2.62 1.05 0.42 0.00 0.00 0.00 175.76 174.56 2pdz s ILE 51 N 5.20 4.20 0.00 0.00 1.01 0.23 0.98 121.20 132.82 2pdz s ILE 51 Ca 0.49 1.81 0.00 0.00 0.00 0.00 0.00 60.65 62.95 2pdz s ILE 51 Cb -0.09 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.22 2pdz s ILE 51 CO 0.28 0.27 0.84 0.18 0.00 0.00 0.00 174.94 176.51 2pdz n LEU 52 N 2.80 1.65 -3.65 2.97 7.99 -0.62 -4.30 117.00 123.85 2pdz n LEU 52 Ca 0.03 -1.65 -0.00 0.00 -0.01 0.00 0.00 56.01 54.38 2pdz n LEU 52 Cb 0.48 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.72 2pdz n LEU 52 CO 0.53 0.41 0.93 -0.55 -1.51 0.00 0.00 177.39 177.20 2pdz s SER 53 N -0.70 -0.19 -0.21 -1.43 0.15 -1.25 0.07 113.70 110.15 2pdz s SER 53 Ca 0.00 0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.98 2pdz s SER 53 Cb 0.00 0.93 0.04 0.00 -1.71 0.00 0.00 66.02 65.29 2pdz s SER 53 CO 0.00 -0.05 -0.10 0.68 1.20 0.00 0.00 173.24 174.97 2pdz s VAL 54 N 0.93 1.69 -1.56 4.45 -7.23 -1.03 -0.03 120.40 117.63 2pdz s VAL 54 Ca -0.06 -1.08 -0.04 0.00 -1.81 0.00 0.00 61.98 58.99 2pdz s VAL 54 Cb -0.03 -1.78 0.00 0.00 0.56 0.00 0.00 36.38 35.13 2pdz s VAL 54 CO -0.12 0.14 0.49 0.59 -0.31 0.00 0.00 175.10 175.90 2pdz n ASN 55 N 4.66 -6.01 0.00 4.85 5.03 0.36 -1.77 115.26 122.38 2pdz n ASN 55 Ca -0.15 -0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.07 2pdz n ASN 55 Cb 0.46 -4.86 0.00 0.00 -1.02 0.00 0.00 39.78 34.36 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 -1.43 0.63 3.14 7.41 0.00 -1.26 -5.01 105.19 108.68 2pdz n GLY 56 Ca -0.13 -0.70 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.47 3.12 -0.90 1.61 -6.30 -0.73 -5.02 118.70 109.02 2pdz s GLU 57 Ca 0.00 -2.93 -0.26 0.00 -2.50 0.00 0.00 54.97 49.28 2pdz s GLU 57 Cb 0.00 -3.96 -0.21 0.00 0.00 0.00 0.00 34.13 29.96 2pdz s GLU 57 CO 0.00 -1.23 2.55 -0.40 0.02 0.00 0.00 175.26 176.19 2pdz n ASP 58 N 2.92 0.44 0.00 -1.70 5.75 -1.26 -2.45 116.55 120.25 2pdz n ASP 58 Ca 0.16 -0.15 0.14 0.00 -0.01 0.00 0.00 54.79 54.93 2pdz n ASP 58 Cb 0.38 -1.01 0.63 0.00 -1.03 0.00 0.00 41.12 40.09 2pdz n ASP 58 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 2pdz n LEU 59 N 11.08 0.00 -0.35 -2.12 4.77 0.11 -3.83 117.00 126.65 2pdz n LEU 59 Ca 0.60 0.44 0.27 0.00 -0.03 0.00 0.00 56.01 57.29 2pdz n LEU 59 Cb 0.16 -0.44 0.55 0.00 -2.33 0.00 0.00 43.42 41.36 2pdz n LEU 59 CO 0.91 -0.02 1.22 0.77 -1.33 0.00 0.00 177.39 178.94 2pdz h SER 60 N 0.00 0.38 -0.65 -1.43 4.64 -1.82 0.71 113.55 115.38 2pdz h SER 60 Ca 0.00 0.10 -0.34 0.00 -0.47 0.00 0.00 61.79 61.08 2pdz h SER 60 Cb 0.42 0.05 -0.20 0.00 -0.31 0.00 0.00 62.40 62.35 2pdz h SER 60 CO 0.00 0.01 0.26 -1.20 -0.87 0.00 0.00 176.83 175.02 2pdz n SER 61 N -4.64 3.07 -4.43 4.97 7.64 -1.25 -4.97 113.62 114.01 2pdz n SER 61 Ca 0.29 -3.70 -0.27 0.00 1.01 0.00 0.00 58.87 56.19 2pdz n SER 61 Cb 1.04 -0.73 -0.12 0.00 -1.01 0.00 0.00 64.21 63.39 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 -3.27 2.54 0.72 -0.43 0.00 0.25 -5.13 121.76 116.43 2pdz s ALA 62 Ca 0.50 -1.61 -0.06 0.00 0.00 0.00 0.00 51.96 50.79 2pdz s ALA 62 Cb 0.44 -0.36 0.08 0.00 0.00 0.00 0.00 23.12 23.28 2pdz s ALA 62 CO 0.05 0.45 1.02 0.95 0.00 0.00 0.00 175.76 178.23 2pdz s THR 63 N -1.59 2.27 0.60 0.00 -4.23 -1.26 -4.21 115.64 107.22 2pdz s THR 63 Ca 0.20 -0.32 0.30 0.00 -1.18 0.00 0.00 61.69 60.69 2pdz s THR 63 Cb -0.08 -2.95 0.36 0.00 1.34 0.00 0.00 72.50 71.17 2pdz s THR 63 CO 0.10 0.00 2.04 -0.74 -0.54 0.00 0.00 174.62 175.47 2pdz h HIS 64 N -0.63 0.00 0.06 3.99 2.76 -1.88 0.46 115.15 119.92 2pdz h HIS 64 Ca -0.43 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 57.47 2pdz h HIS 64 Cb 1.30 0.00 0.02 0.00 1.55 0.00 0.00 27.41 30.28 2pdz h HIS 64 CO 0.15 0.00 -1.12 -0.44 -1.30 0.00 0.00 177.93 175.21 2pdz h ASP 65 N 0.00 0.74 0.56 3.26 5.19 -1.95 -2.66 116.42 121.57 2pdz h ASP 65 Ca 0.10 -0.65 -0.05 0.00 -0.62 0.00 0.00 57.03 55.81 2pdz h ASP 65 Cb 0.67 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.94 2pdz h ASP 65 CO -0.00 1.46 -0.23 -0.33 -3.12 0.00 0.00 179.24 177.02 2pdz h GLU 66 N 0.27 0.00 0.21 3.56 4.39 -1.26 -1.65 114.58 120.10 2pdz h GLU 66 Ca -0.14 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 59.23 2pdz h GLU 66 Cb 1.79 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 30.46 2pdz h GLU 66 CO 0.21 0.23 -1.53 0.00 -1.16 0.00 0.00 179.01 176.76 2pdz h ALA 67 N 1.77 -0.00 0.00 3.43 0.00 -1.39 -3.25 119.26 119.81 2pdz h ALA 67 Ca -0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 54.91 53.84 2pdz h ALA 67 Cb 0.58 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2pdz h ALA 67 CO 0.03 0.86 -0.49 0.28 0.00 0.00 0.00 179.25 179.94 2pdz h VAL 68 N 0.12 1.09 -0.56 0.00 2.07 -1.34 -2.86 116.25 114.78 2pdz h VAL 68 Ca -0.26 -1.85 -0.07 0.00 0.82 0.00 0.00 66.70 65.33 2pdz h VAL 68 Cb 2.11 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 33.94 2pdz h VAL 68 CO 0.23 0.48 0.05 1.56 0.02 0.00 0.00 177.57 179.91 2pdz h GLN 69 N 0.00 0.92 -0.05 1.57 4.20 -1.38 -0.10 115.11 120.27 2pdz h GLN 69 Ca -0.00 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.44 2pdz h GLN 69 Cb 1.04 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.71 2pdz h GLN 69 CO 0.06 0.88 -0.06 0.00 -0.67 0.00 0.00 178.83 179.04 2pdz h ALA 70 N 1.19 0.08 -0.01 3.87 0.00 -1.57 -1.80 119.26 121.02 2pdz h ALA 70 Ca 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2pdz h ALA 70 Cb 0.44 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2pdz h ALA 70 CO 0.02 -0.11 0.02 -0.07 0.00 0.00 0.00 179.25 179.11 2pdz h LEU 71 N -0.33 0.00 0.13 0.00 3.38 -1.35 -1.38 115.31 115.76 2pdz h LEU 71 Ca 0.01 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.81 2pdz h LEU 71 Cb 0.59 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.36 2pdz h LEU 71 CO 0.02 0.00 -0.74 0.50 0.09 0.00 0.00 178.44 178.31 2pdz h LYS 72 N 0.00 0.27 -2.26 1.13 3.64 -0.67 -3.36 116.57 115.31 2pdz h LYS 72 Ca 0.00 -0.46 -0.67 0.00 -1.27 0.00 0.00 60.65 58.26 2pdz h LYS 72 Cb 0.05 0.17 -0.37 0.00 -0.41 0.00 0.00 32.23 31.67 2pdz h LYS 72 CO -0.00 1.22 -0.03 1.17 -2.27 0.00 0.00 179.45 179.54 2pdz n LYS 73 N -4.17 4.03 -1.77 1.90 4.81 -0.71 -5.05 118.16 117.21 2pdz n LYS 73 Ca -0.14 -4.78 -0.29 0.00 -0.87 0.00 0.00 58.31 52.23 2pdz n LYS 73 Cb 0.79 -2.32 0.15 0.00 0.02 0.00 0.00 35.03 33.67 2pdz n LYS 73 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 2pdz s THR 74 N -4.45 1.96 0.00 3.15 -4.23 -0.59 -4.88 115.64 106.60 2pdz s THR 74 Ca 0.45 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.96 2pdz s THR 74 Cb 0.25 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 71.19 2pdz s THR 74 CO -0.14 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 2pdz n GLY 75 N -3.08 1.91 0.28 3.99 0.00 -1.26 -4.99 105.19 102.04 2pdz n GLY 75 Ca 0.11 -2.12 -0.04 0.00 0.00 0.00 0.00 46.02 43.97 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 -0.12 -4.87 1.61 1.63 -1.98 -3.36 116.57 109.48 2pdz h LYS 76 Ca 0.00 0.01 -0.67 0.00 -0.85 0.00 0.00 60.65 59.14 2pdz h LYS 76 Cb 0.00 0.03 -0.25 0.00 -0.60 0.00 0.00 32.23 31.41 2pdz h LYS 76 CO 0.00 -0.08 -0.63 -1.83 -3.45 0.00 0.00 179.45 173.46 2pdz s GLU 77 N -6.12 3.33 -1.29 1.90 -1.05 -1.26 -1.42 118.70 112.79 2pdz s GLU 77 Ca -0.14 -0.69 -0.16 0.00 -0.15 0.00 0.00 54.97 53.82 2pdz s GLU 77 Cb 0.16 -3.33 0.10 0.00 -0.44 0.00 0.00 34.13 30.62 2pdz s GLU 77 CO 0.70 -0.33 1.71 0.28 0.95 0.00 0.00 175.26 178.58 2pdz n VAL 78 N 4.89 4.00 -2.04 1.83 0.31 0.40 -4.88 118.33 122.84 2pdz n VAL 78 Ca -0.15 -4.19 -0.43 0.00 -0.01 0.00 0.00 64.34 59.56 2pdz n VAL 78 Cb 0.50 -2.41 -0.03 0.00 -0.91 0.00 0.00 33.84 30.99 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 3.21 3.56 -0.21 2.52 1.01 -1.26 -1.47 120.40 127.76 2pdz s VAL 79 Ca 0.50 0.61 0.02 0.00 0.00 0.00 0.00 61.98 63.10 2pdz s VAL 79 Cb 0.03 -3.65 0.04 0.00 0.00 0.00 0.00 36.38 32.80 2pdz s VAL 79 CO 0.04 -0.34 -0.16 -0.76 0.00 0.00 0.00 175.10 173.87 2pdz s LEU 80 N 6.01 2.69 0.04 3.92 1.02 0.21 0.14 118.68 132.71 2pdz s LEU 80 Ca 0.76 -0.96 -0.30 0.00 0.02 0.00 0.00 54.13 53.64 2pdz s LEU 80 Cb -0.24 -1.51 -0.05 0.00 0.02 0.00 0.00 46.19 44.40 2pdz s LEU 80 CO 0.32 -0.08 1.24 -0.70 0.02 0.00 0.00 176.35 177.15 2pdz s GLU 81 N 1.21 4.39 0.09 1.70 2.56 0.96 -1.86 118.70 127.75 2pdz s GLU 81 Ca -0.01 1.80 0.07 0.00 0.00 0.00 0.00 54.97 56.83 2pdz s GLU 81 Cb -0.16 -3.40 -0.03 0.00 2.00 0.00 0.00 34.13 32.54 2pdz s GLU 81 CO -0.10 -0.34 -0.18 0.54 -0.56 0.00 0.00 175.26 174.62 2pdz s VAL 82 N 1.41 1.49 -0.69 3.70 0.11 -0.62 -1.59 120.40 124.22 2pdz s VAL 82 Ca 0.59 -1.47 0.01 0.00 -2.93 0.00 0.00 61.98 58.18 2pdz s VAL 82 Cb -0.29 -1.39 0.17 0.00 -1.53 0.00 0.00 36.38 33.34 2pdz s VAL 82 CO 0.28 -0.14 0.50 -0.75 -3.33 0.00 0.00 175.10 171.66 2pdz s LYS 83 N -1.89 2.60 0.13 1.54 2.20 0.28 0.16 119.74 124.76 2pdz s LYS 83 Ca 0.04 -2.97 -0.35 0.00 -0.36 0.00 0.00 55.97 52.33 2pdz s LYS 83 Cb -0.10 -3.62 -0.15 0.00 -1.51 0.00 0.00 37.83 32.45 2pdz s LYS 83 CO 0.04 -1.21 1.43 0.98 -0.36 0.00 0.00 175.35 176.22 2pdz n TYR 84 N 2.70 1.85 -2.44 4.03 4.19 -1.26 -2.40 117.16 123.83 2pdz n TYR 84 Ca 0.14 0.48 -0.30 0.00 3.31 0.00 0.00 57.90 61.53 2pdz n TYR 84 Cb 0.36 -2.42 0.00 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 2.79 3.36 0.00 2.98 2.81 0.43 -4.85 117.12 124.64 2pdz n MET 85 Ca 0.17 -4.38 0.11 0.00 -1.81 0.00 0.00 57.70 51.79 2pdz n MET 85 Cb 0.24 -2.26 0.62 0.00 -0.71 0.00 0.00 33.22 31.11 2pdz n MET 85 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84