#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 1.42 -0.41 5.56 0.52 0.23 -4.92 118.95 121.35 2pdz s ARG 2 Ca 0.00 -1.14 -0.10 0.00 -0.52 0.00 0.00 55.73 53.97 2pdz s ARG 2 Cb 0.00 -1.68 0.06 0.00 0.52 0.00 0.00 34.95 33.85 2pdz s ARG 2 CO 0.00 0.41 0.26 1.03 0.02 0.00 0.00 175.30 177.02 2pdz s ARG 3 N -1.60 2.71 -0.17 3.54 0.52 -1.26 -0.14 118.95 122.55 2pdz s ARG 3 Ca 0.10 -1.33 -0.05 0.00 -0.52 0.00 0.00 55.73 53.93 2pdz s ARG 3 Cb -0.10 -3.81 -0.03 0.00 0.52 0.00 0.00 34.95 31.54 2pdz s ARG 3 CO 0.04 -0.89 -0.00 0.08 0.02 0.00 0.00 175.30 174.55 2pdz s VAL 4 N 1.49 4.15 -0.28 3.52 1.01 -0.81 -4.94 120.40 124.53 2pdz s VAL 4 Ca 0.03 -0.26 -0.01 0.00 0.00 0.00 0.00 61.98 61.73 2pdz s VAL 4 Cb -0.22 -2.85 0.04 0.00 0.00 0.00 0.00 36.38 33.36 2pdz s VAL 4 CO 0.04 0.47 -0.02 -0.89 0.00 0.00 0.00 175.10 174.70 2pdz s THR 5 N 0.49 2.89 -0.29 3.92 2.01 -1.26 0.83 115.64 124.23 2pdz s THR 5 Ca -0.01 -1.32 -0.14 0.00 0.31 0.00 0.00 61.69 60.53 2pdz s THR 5 Cb -0.14 -2.62 -0.03 0.00 0.01 0.00 0.00 72.50 69.72 2pdz s THR 5 CO 0.02 -0.03 0.33 -0.69 -0.69 0.00 0.00 174.62 173.56 2pdz s VAL 6 N 1.26 5.20 -0.45 3.82 1.01 0.22 -4.84 120.40 126.62 2pdz s VAL 6 Ca -0.04 0.32 -0.25 0.00 0.00 0.00 0.00 61.98 62.01 2pdz s VAL 6 Cb -0.19 -3.70 0.03 0.00 0.00 0.00 0.00 36.38 32.52 2pdz s VAL 6 CO -0.02 0.10 0.88 -0.13 0.00 0.00 0.00 175.10 175.93 2pdz s ARG 7 N 1.99 3.51 -0.97 2.72 1.81 -1.25 -0.01 118.95 126.74 2pdz s ARG 7 Ca 0.12 0.09 -0.21 0.00 -1.72 0.00 0.00 55.73 54.02 2pdz s ARG 7 Cb -0.16 -3.93 0.09 0.00 -0.45 0.00 0.00 34.95 30.51 2pdz s ARG 7 CO 0.11 -1.18 1.27 0.15 -0.68 0.00 0.00 175.30 174.97 2pdz s LYS 8 N 3.60 3.59 0.00 3.54 -0.14 0.27 -4.85 119.74 125.74 2pdz s LYS 8 Ca 0.35 -1.45 0.00 0.00 -1.36 0.00 0.00 55.97 53.50 2pdz s LYS 8 Cb -0.11 -5.11 0.00 0.00 -1.68 0.00 0.00 37.83 30.93 2pdz s LYS 8 CO 0.25 -1.97 0.00 0.00 -0.76 0.00 0.00 175.35 172.86 2pdz n ALA 9 N 7.64 0.00 0.30 5.17 0.00 -1.26 -4.32 120.51 128.04 2pdz n ALA 9 Ca 0.28 -0.04 0.18 0.00 0.00 0.00 0.00 53.44 53.86 2pdz n ALA 9 Cb 0.50 0.00 0.86 0.00 0.00 0.00 0.00 19.45 20.80 2pdz n ALA 9 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2pdz h ASP 10 N 0.00 0.00 -6.12 0.00 1.82 -2.01 -3.46 116.42 106.65 2pdz h ASP 10 Ca 0.00 0.00 -0.42 0.00 -0.39 0.00 0.00 57.03 56.22 2pdz h ASP 10 Cb 0.00 0.00 0.07 0.00 0.68 0.00 0.00 39.33 40.08 2pdz h ASP 10 CO 0.00 0.00 -0.88 0.00 -1.61 0.00 0.00 179.24 176.75 2pdz n ALA 11 N -2.03 -2.26 -2.43 -0.78 0.00 -1.26 -4.90 120.51 106.84 2pdz n ALA 11 Ca -0.01 -0.17 -0.29 0.00 0.00 0.00 0.00 53.44 52.97 2pdz n ALA 11 Cb 0.19 -3.09 0.00 0.00 0.00 0.00 0.00 19.45 16.56 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 -1.63 5.93 0.00 0.00 0.00 -1.26 -5.02 105.19 103.21 2pdz n GLY 12 Ca -0.20 -2.73 0.00 0.00 0.00 0.00 0.00 46.02 43.08 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 -0.47 1.66 0.05 -0.02 0.00 -1.26 -4.93 105.19 100.23 2pdz n GLY 13 Ca 0.41 -1.52 0.09 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.08 0.33 -2.80 0.99 0.00 -1.26 -4.18 117.00 110.00 2pdz n LEU 14 Ca 0.00 0.13 -0.03 0.00 0.00 0.00 0.00 56.01 56.11 2pdz n LEU 14 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 43.42 43.44 2pdz n LEU 14 CO 0.00 -0.01 -0.37 0.61 0.00 0.00 0.00 177.39 177.62 2pdz n GLY 15 N 1.28 -3.27 3.21 -3.96 0.00 -1.26 -2.79 105.19 98.40 2pdz n GLY 15 Ca -0.05 0.64 0.04 0.00 0.00 0.00 0.00 46.02 46.65 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 -1.82 -0.17 -0.27 -0.61 2.07 -1.26 -3.47 121.20 115.67 2pdz s ILE 16 Ca 0.07 0.00 -0.07 0.00 -1.41 0.00 0.00 60.65 59.23 2pdz s ILE 16 Cb -0.02 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.56 2pdz s ILE 16 CO 0.74 0.00 0.08 -0.55 -1.91 0.00 0.00 174.94 173.29 2pdz s SER 17 N 2.39 5.13 0.16 4.50 0.15 -0.22 -4.97 113.70 120.84 2pdz s SER 17 Ca -0.02 -0.42 -0.05 0.00 0.70 0.00 0.00 55.95 56.16 2pdz s SER 17 Cb -0.04 -1.91 -0.06 0.00 -1.71 0.00 0.00 66.02 62.30 2pdz s SER 17 CO -0.14 -0.10 0.40 0.27 1.20 0.00 0.00 173.24 174.87 2pdz s ILE 18 N 1.57 5.13 -0.05 6.45 -4.36 -1.26 -1.30 121.20 127.38 2pdz s ILE 18 Ca 0.05 0.08 -0.02 0.00 -0.26 0.00 0.00 60.65 60.50 2pdz s ILE 18 Cb -0.16 -3.63 0.03 0.00 1.25 0.00 0.00 42.46 39.95 2pdz s ILE 18 CO 0.03 0.01 0.04 -0.75 0.24 0.00 0.00 174.94 174.51 2pdz s LYS 19 N -2.73 0.15 0.00 0.37 2.20 0.20 -4.78 119.74 115.16 2pdz s LYS 19 Ca 0.42 0.28 0.00 0.00 -0.36 0.00 0.00 55.97 56.31 2pdz s LYS 19 Cb -0.12 -0.66 0.00 0.00 -1.51 0.00 0.00 37.83 35.54 2pdz s LYS 19 CO 0.24 -0.32 0.00 0.41 -0.36 0.00 0.00 175.35 175.33 2pdz n GLY 20 N 5.22 -0.37 0.00 5.54 0.00 -1.26 -1.87 105.19 112.45 2pdz n GLY 20 Ca -0.05 -0.97 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 3.69 0.16 -0.02 0.00 -1.23 -4.59 105.19 103.19 2pdz n GLY 21 Ca 0.00 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.47 0.14 -0.00 1.61 3.00 -1.26 -1.01 116.66 118.67 2pdz n ARG 22 Ca 0.00 0.62 0.13 0.00 -0.00 0.00 0.00 57.85 58.60 2pdz n ARG 22 Cb 0.00 -1.95 0.76 0.00 0.00 0.00 0.00 32.46 31.27 2pdz n ARG 22 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2pdz n GLU 23 N -2.25 1.02 -1.05 -0.14 -0.00 -1.26 -3.42 120.64 113.54 2pdz n GLU 23 Ca -0.01 -0.03 0.03 0.00 -0.00 0.00 0.00 57.16 57.14 2pdz n GLU 23 Cb 0.05 -1.41 0.03 0.00 -0.00 0.00 0.00 31.44 30.11 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 -0.87 0.75 -3.33 -1.84 3.02 -0.18 -5.02 115.26 107.78 2pdz n ASN 24 Ca 0.19 -2.15 -0.12 0.00 -0.03 0.00 0.00 54.58 52.47 2pdz n ASN 24 Cb 0.10 -0.28 0.02 0.00 -0.61 0.00 0.00 39.78 39.00 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 0.16 -1.47 -3.55 3.52 5.02 -1.22 -4.94 118.16 115.68 2pdz n LYS 25 Ca 0.05 1.10 -0.11 0.00 -2.02 0.00 0.00 58.31 57.33 2pdz n LYS 25 Cb 0.95 -4.82 -0.10 0.00 -0.02 0.00 0.00 35.03 31.04 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 -4.06 0.27 -0.36 1.97 -1.94 -1.21 -5.00 119.30 108.98 2pdz s MET 26 Ca 0.14 0.73 -0.03 0.00 -1.71 0.00 0.00 55.69 54.81 2pdz s MET 26 Cb -0.04 -0.16 -0.07 0.00 2.01 0.00 0.00 34.83 36.57 2pdz s MET 26 CO 0.80 -0.42 1.80 -0.35 -0.01 0.00 0.00 175.02 176.83 2pdz n PRO 27 N 5.37 1.20 -3.21 2.03 -0.04 -1.26 -3.55 135.00 135.54 2pdz n PRO 27 Ca -0.06 -0.83 -0.07 0.00 -0.04 0.00 0.00 63.50 62.50 2pdz n PRO 27 Cb 0.50 -2.04 0.01 0.00 -0.04 0.00 0.00 33.50 31.92 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 3.67 -3.13 -3.79 0.52 2.08 -1.25 -1.69 119.36 115.76 2pdz n ILE 28 Ca 0.26 0.53 -0.36 0.00 0.56 0.00 0.00 62.75 63.74 2pdz n ILE 28 Cb 0.23 -3.42 -0.10 0.00 -0.75 0.00 0.00 39.64 35.60 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 -1.31 3.95 0.37 1.39 2.96 -0.78 0.66 118.68 125.92 2pdz s LEU 29 Ca 0.07 0.08 -0.28 0.00 -0.22 0.00 0.00 54.13 53.78 2pdz s LEU 29 Cb -0.01 -2.04 -0.10 0.00 0.50 0.00 0.00 46.19 44.55 2pdz s LEU 29 CO 0.21 0.10 1.36 -0.63 -1.32 0.00 0.00 176.35 176.08 2pdz s ILE 30 N 0.81 2.46 0.00 6.68 1.01 -0.81 0.59 121.20 131.95 2pdz s ILE 30 Ca 0.06 0.45 0.00 0.00 0.00 0.00 0.00 60.65 61.16 2pdz s ILE 30 Cb -0.13 -3.28 0.00 0.00 0.01 0.00 0.00 42.46 39.06 2pdz s ILE 30 CO 0.02 0.09 0.49 -0.24 0.00 0.00 0.00 174.94 175.31 2pdz n SER 31 N 0.46 0.80 -3.15 3.58 2.88 -0.42 -1.37 113.62 116.40 2pdz n SER 31 Ca 0.02 -1.23 0.04 0.00 -1.33 0.00 0.00 58.87 56.37 2pdz n SER 31 Cb 0.42 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.88 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 -0.23 0.42 -0.41 -1.46 2.20 -1.16 -4.96 119.74 114.14 2pdz s LYS 32 Ca 0.00 0.41 -0.22 0.00 -0.36 0.00 0.00 55.97 55.80 2pdz s LYS 32 Cb 0.00 0.19 0.02 0.00 -1.51 0.00 0.00 37.83 36.52 2pdz s LYS 32 CO 0.00 -0.79 0.72 0.42 -0.36 0.00 0.00 175.35 175.34 2pdz s ILE 33 N 2.86 4.76 -0.01 5.43 -1.09 -1.26 -1.05 121.20 130.84 2pdz s ILE 33 Ca 0.16 0.47 -0.30 0.00 -2.23 0.00 0.00 60.65 58.75 2pdz s ILE 33 Cb -0.07 -4.22 -0.04 0.00 -1.58 0.00 0.00 42.46 36.55 2pdz s ILE 33 CO -0.25 -0.55 1.23 -0.36 -1.23 0.00 0.00 174.94 173.79 2pdz s PHE 34 N 3.01 3.22 0.91 3.97 0.40 -1.23 -4.95 117.98 123.31 2pdz s PHE 34 Ca 0.27 1.18 -0.13 0.00 -0.60 0.00 0.00 56.93 57.66 2pdz s PHE 34 Cb -0.13 -3.46 0.14 0.00 0.51 0.00 0.00 43.02 40.08 2pdz s PHE 34 CO 0.19 -1.47 1.15 0.15 0.70 0.00 0.00 175.22 175.93 2pdz s LYS 35 N 1.85 1.15 -1.42 0.44 1.02 -1.26 -3.85 119.74 117.67 2pdz s LYS 35 Ca 0.58 0.23 0.00 0.00 0.02 0.00 0.00 55.97 56.80 2pdz s LYS 35 Cb -0.27 -1.85 0.00 0.00 -0.52 0.00 0.00 37.83 35.19 2pdz s LYS 35 CO 0.25 -2.18 0.00 0.41 -0.92 0.00 0.00 175.35 172.91 2pdz n GLY 36 N -2.37 0.43 3.10 -3.33 0.00 -1.26 -4.98 105.19 96.78 2pdz n GLY 36 Ca 0.07 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.74 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 -4.03 2.48 0.05 0.99 1.43 -1.25 -5.01 118.68 113.35 2pdz s LEU 37 Ca 0.00 -0.98 -0.12 0.00 -1.03 0.00 0.00 54.13 52.00 2pdz s LEU 37 Cb 0.00 0.13 -0.03 0.00 0.03 0.00 0.00 46.19 46.32 2pdz s LEU 37 CO 0.00 -0.55 1.20 0.00 0.23 0.00 0.00 176.35 177.22 2pdz h ALA 38 N 3.17 -0.33 -0.43 4.21 0.00 -1.72 0.59 119.26 124.75 2pdz h ALA 38 Ca -0.34 0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.65 2pdz h ALA 38 Cb 1.15 1.01 -0.09 0.00 0.00 0.00 0.00 17.79 19.86 2pdz h ALA 38 CO 0.65 -0.45 -0.53 0.00 0.00 0.00 0.00 179.25 178.91 2pdz h ALA 39 N -0.63 -0.70 0.00 0.00 0.00 -1.74 0.50 119.26 116.68 2pdz h ALA 39 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2pdz h ALA 39 Cb 0.18 1.09 0.00 0.00 0.00 0.00 0.00 17.79 19.06 2pdz h ALA 39 CO -0.28 -1.01 0.00 -3.47 0.00 0.00 0.00 179.25 174.48 2pdz n ASP 40 N -5.38 0.00 -0.91 0.00 -0.08 -0.96 -2.50 116.55 106.72 2pdz n ASP 40 Ca -0.03 -0.14 0.07 0.00 -1.51 0.00 0.00 54.79 53.19 2pdz n ASP 40 Cb 0.34 -0.21 0.22 0.00 2.34 0.00 0.00 41.12 43.81 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 -1.21 2.96 -0.41 -0.67 6.02 0.20 -4.41 117.38 119.86 2pdz n GLN 41 Ca 0.10 -2.36 0.08 0.00 -0.01 0.00 0.00 57.00 54.81 2pdz n GLN 41 Cb 0.12 -1.47 0.25 0.00 1.02 0.00 0.00 30.24 30.17 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 0.65 1.81 -3.95 5.09 5.66 -0.58 -4.97 114.28 118.00 2pdz n THR 42 Ca 0.17 -1.44 -0.27 0.00 -3.05 0.00 0.00 64.05 59.46 2pdz n THR 42 Cb 0.57 0.06 -0.02 0.00 -1.55 0.00 0.00 70.33 69.40 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 0.19 -2.94 0.00 1.09 1.02 -1.26 -4.60 120.64 114.14 2pdz n GLU 43 Ca 0.19 0.39 0.00 0.00 -0.02 0.00 0.00 57.16 57.72 2pdz n GLU 43 Cb 0.76 -4.40 0.00 0.00 -0.02 0.00 0.00 31.44 27.77 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 -4.41 0.00 -1.94 0.62 0.00 -1.26 -5.03 120.51 108.49 2pdz n ALA 44 Ca -0.29 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 52.91 2pdz n ALA 44 Cb 0.68 0.00 -0.07 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 -3.20 2.89 0.15 0.00 1.98 -1.22 -4.89 118.68 114.39 2pdz s LEU 45 Ca 0.00 -1.36 0.08 0.00 -2.89 0.00 0.00 54.13 49.96 2pdz s LEU 45 Cb 0.00 -2.59 -0.04 0.00 0.66 0.00 0.00 46.19 44.22 2pdz s LEU 45 CO 0.00 -3.49 -0.08 0.72 -1.89 0.00 0.00 176.35 171.61 2pdz s PHE 46 N 12.52 2.71 1.00 5.38 -0.12 -1.26 -4.12 117.98 134.10 2pdz s PHE 46 Ca 0.72 -0.18 -0.15 0.00 -0.05 0.00 0.00 56.93 57.27 2pdz s PHE 46 Cb -0.03 -1.36 0.03 0.00 -0.63 0.00 0.00 43.02 41.04 2pdz s PHE 46 CO 0.13 0.48 0.14 0.28 -0.05 0.00 0.00 175.22 176.19 2pdz n VAL 47 N 0.27 0.00 -1.96 -2.49 0.31 -1.26 -3.25 118.33 109.96 2pdz n VAL 47 Ca -0.12 -0.24 -0.05 0.00 -0.01 0.00 0.00 64.34 63.92 2pdz n VAL 47 Cb 0.54 -0.55 -0.01 0.00 -0.91 0.00 0.00 33.84 32.92 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 1.87 0.25 3.16 2.92 0.00 -0.47 -4.84 105.19 108.08 2pdz n GLY 48 Ca 0.04 -0.69 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 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 -2.79 5.51 -0.89 1.61 1.01 -1.20 0.88 116.67 120.79 2pdz s ASP 49 Ca 0.00 -2.13 -0.24 0.00 0.71 0.00 0.00 52.55 50.88 2pdz s ASP 49 Cb 0.00 -1.93 0.01 0.00 1.01 0.00 0.00 42.92 42.01 2pdz s ASP 49 CO 0.00 -0.58 1.64 0.00 0.21 0.00 0.00 175.17 176.44 2pdz s ALA 50 N 1.01 2.30 0.29 5.23 0.00 -1.04 -1.93 121.76 127.63 2pdz s ALA 50 Ca 0.09 -1.69 -0.29 0.00 0.00 0.00 0.00 51.96 50.06 2pdz s ALA 50 Cb -0.23 -4.47 -0.10 0.00 0.00 0.00 0.00 23.12 18.31 2pdz s ALA 50 CO -0.03 -4.00 1.45 0.42 0.00 0.00 0.00 175.76 173.60 2pdz s ILE 51 N 7.26 2.48 -0.02 0.00 1.01 0.21 -0.59 121.20 131.55 2pdz s ILE 51 Ca 0.55 0.43 0.04 0.00 0.00 0.00 0.00 60.65 61.66 2pdz s ILE 51 Cb -0.05 -3.27 0.06 0.00 0.01 0.00 0.00 42.46 39.20 2pdz s ILE 51 CO 0.00 0.08 1.02 0.18 0.00 0.00 0.00 174.94 176.22 2pdz n LEU 52 N 1.74 0.46 0.00 2.97 4.77 -0.41 -3.95 117.00 122.58 2pdz n LEU 52 Ca 0.05 -1.39 0.00 0.00 -0.03 0.00 0.00 56.01 54.64 2pdz n LEU 52 Cb 0.40 -0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2pdz n LEU 52 CO 0.61 0.34 0.00 -0.24 -1.33 0.00 0.00 177.39 176.77 2pdz n SER 53 N -0.28 0.00 -3.99 -1.43 2.88 -1.25 -0.63 113.62 108.91 2pdz n SER 53 Ca 0.03 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.27 2pdz n SER 53 Cb 0.68 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.98 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 0.00 1.57 -1.62 2.46 -7.23 -0.99 -0.68 120.40 113.91 2pdz s VAL 54 Ca 0.00 -0.83 -0.02 0.00 -1.81 0.00 0.00 61.98 59.32 2pdz s VAL 54 Cb 0.00 -1.59 0.01 0.00 0.56 0.00 0.00 36.38 35.36 2pdz s VAL 54 CO 0.00 0.27 0.22 0.59 -0.31 0.00 0.00 175.10 175.88 2pdz n ASN 55 N 4.73 -5.70 0.00 4.85 3.02 0.32 -1.71 115.26 120.77 2pdz n ASN 55 Ca -0.15 -0.10 0.00 0.00 -0.03 0.00 0.00 54.58 54.30 2pdz n ASN 55 Cb 0.48 -4.70 0.00 0.00 -0.61 0.00 0.00 39.78 34.95 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 -1.17 0.86 3.03 7.41 0.00 -1.26 -4.97 105.19 109.08 2pdz n GLY 56 Ca -0.18 -0.54 -0.34 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.66 2.45 -0.82 1.61 2.12 -0.69 -5.04 118.70 116.68 2pdz s GLU 57 Ca 0.00 -2.73 -0.31 0.00 0.36 0.00 0.00 54.97 52.29 2pdz s GLU 57 Cb 0.00 -3.60 -0.18 0.00 0.26 0.00 0.00 34.13 30.61 2pdz s GLU 57 CO 0.00 -1.17 2.57 -0.40 -0.54 0.00 0.00 175.26 175.71 2pdz n ASP 58 N 3.09 0.84 0.06 -1.70 5.75 -1.26 -2.36 116.55 120.97 2pdz n ASP 58 Ca 0.10 0.10 0.13 0.00 -0.01 0.00 0.00 54.79 55.10 2pdz n ASP 58 Cb 0.36 -1.07 0.44 0.00 -1.03 0.00 0.00 41.12 39.82 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 11.31 0.53 -0.32 -2.12 4.77 0.20 -3.77 117.00 127.60 2pdz n LEU 59 Ca 0.58 0.49 0.29 0.00 -0.03 0.00 0.00 56.01 57.34 2pdz n LEU 59 Cb 0.14 -0.36 0.62 0.00 -2.33 0.00 0.00 43.42 41.49 2pdz n LEU 59 CO 0.88 -0.10 1.26 -1.28 -1.33 0.00 0.00 177.39 176.83 2pdz h SER 60 N 0.00 0.23 -0.67 -1.43 0.87 -1.82 0.87 113.55 111.61 2pdz h SER 60 Ca 0.00 0.05 -0.30 0.00 -1.23 0.00 0.00 61.79 60.31 2pdz h SER 60 Cb 0.65 0.01 -0.18 0.00 -0.44 0.00 0.00 62.40 62.44 2pdz h SER 60 CO 0.00 0.04 0.27 -0.24 -0.53 0.00 0.00 176.83 176.37 2pdz n SER 61 N -4.43 3.53 -4.30 6.23 2.88 -1.25 -4.96 113.62 111.32 2pdz n SER 61 Ca 0.25 -3.55 -0.25 0.00 -1.33 0.00 0.00 58.87 53.99 2pdz n SER 61 Cb 1.05 -0.73 -0.13 0.00 -0.75 0.00 0.00 64.21 63.65 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 -3.19 1.93 0.74 -1.46 0.00 0.30 -5.12 121.76 114.97 2pdz s ALA 62 Ca 0.51 -1.27 -0.12 0.00 0.00 0.00 0.00 51.96 51.09 2pdz s ALA 62 Cb 0.44 -0.29 0.04 0.00 0.00 0.00 0.00 23.12 23.30 2pdz s ALA 62 CO 0.07 0.41 1.13 0.95 0.00 0.00 0.00 175.76 178.32 2pdz s THR 63 N -1.08 2.96 0.48 0.00 -4.23 -1.26 -4.05 115.64 108.47 2pdz s THR 63 Ca 0.08 0.31 0.20 0.00 -1.18 0.00 0.00 61.69 61.10 2pdz s THR 63 Cb -0.10 -3.30 0.36 0.00 1.34 0.00 0.00 72.50 70.80 2pdz s THR 63 CO 0.04 -0.41 1.99 -0.74 -0.54 0.00 0.00 174.62 174.96 2pdz h HIS 64 N -0.81 0.21 -0.05 3.99 2.76 -1.87 0.11 115.15 119.50 2pdz h HIS 64 Ca -0.45 0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 57.57 2pdz h HIS 64 Cb 1.28 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 30.16 2pdz h HIS 64 CO 0.43 0.09 -0.65 0.38 -1.30 0.00 0.00 177.93 176.89 2pdz h ASP 65 N 0.19 0.24 0.73 3.26 3.04 -1.92 -2.02 116.42 119.95 2pdz h ASP 65 Ca 0.26 -0.14 -0.11 0.00 -3.24 0.00 0.00 57.03 53.80 2pdz h ASP 65 Cb 0.78 -0.07 -0.02 0.00 -1.04 0.00 0.00 39.33 38.98 2pdz h ASP 65 CO -0.05 0.82 -0.53 -0.33 -2.04 0.00 0.00 179.24 177.11 2pdz h GLU 66 N 0.15 0.00 0.06 4.15 4.39 -1.17 -2.68 114.58 119.47 2pdz h GLU 66 Ca -0.01 0.00 -0.24 0.00 0.34 0.00 0.00 59.36 59.45 2pdz h GLU 66 Cb 1.17 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.84 2pdz h GLU 66 CO 0.10 0.53 -0.97 0.00 -1.16 0.00 0.00 179.01 177.51 2pdz h ALA 67 N 1.47 0.03 0.00 3.43 0.00 -1.09 -3.16 119.26 119.95 2pdz h ALA 67 Ca -0.01 -0.69 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 2pdz h ALA 67 Cb 1.04 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2pdz h ALA 67 CO 0.07 0.56 -0.13 0.28 0.00 0.00 0.00 179.25 180.02 2pdz h VAL 68 N 0.13 0.79 -0.60 0.00 2.07 -1.33 -1.74 116.25 115.58 2pdz h VAL 68 Ca -0.14 -0.51 -0.02 0.00 0.82 0.00 0.00 66.70 66.85 2pdz h VAL 68 Cb 1.67 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.71 2pdz h VAL 68 CO 0.19 0.13 0.30 -0.61 0.02 0.00 0.00 177.57 177.59 2pdz h GLN 69 N 0.00 0.83 -0.22 1.57 4.15 -1.43 -1.43 115.11 118.58 2pdz h GLN 69 Ca -0.00 -0.10 -0.21 0.00 0.77 0.00 0.00 58.65 59.11 2pdz h GLN 69 Cb 0.29 -0.16 0.01 0.00 0.21 0.00 0.00 27.48 27.82 2pdz h GLN 69 CO 0.02 0.64 -0.66 0.00 -1.93 0.00 0.00 178.83 176.89 2pdz h ALA 70 N 1.49 0.39 0.00 3.38 0.00 -1.38 0.04 119.26 123.18 2pdz h ALA 70 Ca 0.21 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 2pdz h ALA 70 Cb 0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2pdz h ALA 70 CO -0.03 0.68 -0.03 -0.07 0.00 0.00 0.00 179.25 179.80 2pdz h LEU 71 N 0.61 0.00 0.13 0.00 -0.00 -1.22 1.19 115.31 116.03 2pdz h LEU 71 Ca -0.02 0.00 -0.32 0.00 -0.00 0.00 0.00 57.88 57.54 2pdz h LEU 71 Cb 1.28 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.94 2pdz h LEU 71 CO 0.14 0.03 -1.60 0.11 -0.00 0.00 0.00 178.44 177.13 2pdz h LYS 72 N 0.00 0.28 -0.62 1.13 1.79 -1.04 -3.33 116.57 114.79 2pdz h LYS 72 Ca -0.00 -0.49 -0.27 0.00 -2.18 0.00 0.00 60.65 57.72 2pdz h LYS 72 Cb 0.06 0.18 -0.16 0.00 -1.58 0.00 0.00 32.23 30.73 2pdz h LYS 72 CO 0.00 1.16 0.23 1.17 -1.08 0.00 0.00 179.45 180.93 2pdz n LYS 73 N -3.48 2.53 -1.02 3.15 4.81 -0.02 -5.01 118.16 119.11 2pdz n LYS 73 Ca -0.19 -3.07 -0.29 0.00 -0.87 0.00 0.00 58.31 53.89 2pdz n LYS 73 Cb 1.05 -2.02 0.17 0.00 0.02 0.00 0.00 35.03 34.26 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 -3.16 2.34 0.34 3.15 -4.23 0.40 -4.92 115.64 109.56 2pdz s THR 74 Ca 0.50 0.11 0.03 0.00 -1.18 0.00 0.00 61.69 61.16 2pdz s THR 74 Cb 0.43 -2.47 0.03 0.00 1.34 0.00 0.00 72.50 71.83 2pdz s THR 74 CO 0.07 -0.14 0.27 0.61 -0.54 0.00 0.00 174.62 174.89 2pdz n GLY 75 N -0.62 2.80 0.34 3.99 0.00 -1.26 -5.04 105.19 105.39 2pdz n GLY 75 Ca 0.06 -2.25 -0.12 0.00 0.00 0.00 0.00 46.02 43.72 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 -0.54 -5.85 1.61 1.57 -1.91 -3.27 116.57 108.18 2pdz h LYS 76 Ca -0.21 0.04 -0.63 0.00 -1.87 0.00 0.00 60.65 57.97 2pdz h LYS 76 Cb 0.79 0.12 -0.11 0.00 0.08 0.00 0.00 32.23 33.11 2pdz h LYS 76 CO 0.33 -0.36 1.51 -1.83 -0.57 0.00 0.00 179.45 178.53 2pdz s GLU 77 N -4.92 3.67 -1.01 3.15 4.04 -1.26 0.96 118.70 123.33 2pdz s GLU 77 Ca -0.12 -1.41 -0.23 0.00 0.04 0.00 0.00 54.97 53.25 2pdz s GLU 77 Cb 0.04 -5.31 0.05 0.00 0.02 0.00 0.00 34.13 28.93 2pdz s GLU 77 CO 0.42 -2.14 1.43 0.08 -1.84 0.00 0.00 175.26 173.21 2pdz s VAL 78 N 4.38 3.95 -0.30 1.83 1.01 0.99 -4.83 120.40 127.43 2pdz s VAL 78 Ca 0.45 -0.75 -0.28 0.00 0.00 0.00 0.00 61.98 61.39 2pdz s VAL 78 Cb -0.00 -5.04 0.01 0.00 0.00 0.00 0.00 36.38 31.35 2pdz s VAL 78 CO -0.07 -1.92 1.04 -0.69 0.00 0.00 0.00 175.10 173.46 2pdz s VAL 79 N 4.91 4.58 -0.20 2.92 1.01 -1.26 -0.61 120.40 131.75 2pdz s VAL 79 Ca 0.45 1.75 0.01 0.00 0.00 0.00 0.00 61.98 64.19 2pdz s VAL 79 Cb -0.00 -4.37 0.04 0.00 0.00 0.00 0.00 36.38 32.05 2pdz s VAL 79 CO -0.09 -0.39 -0.13 -0.76 0.00 0.00 0.00 175.10 173.72 2pdz s LEU 80 N 3.48 2.35 0.14 3.92 1.43 0.24 0.12 118.68 130.36 2pdz s LEU 80 Ca 0.44 -0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 52.38 2pdz s LEU 80 Cb -0.13 -1.34 -0.07 0.00 0.03 0.00 0.00 46.19 44.68 2pdz s LEU 80 CO 0.13 -0.10 1.17 -0.70 0.23 0.00 0.00 176.35 177.08 2pdz s GLU 81 N 1.33 4.50 0.11 1.70 2.56 0.14 -1.92 118.70 127.12 2pdz s GLU 81 Ca -0.00 1.79 0.06 0.00 0.00 0.00 0.00 54.97 56.82 2pdz s GLU 81 Cb -0.16 -3.29 -0.04 0.00 2.00 0.00 0.00 34.13 32.65 2pdz s GLU 81 CO -0.09 -0.10 -0.14 0.54 -0.56 0.00 0.00 175.26 174.91 2pdz s VAL 82 N 0.28 1.25 -0.77 3.70 0.11 0.81 -1.28 120.40 124.49 2pdz s VAL 82 Ca 0.54 -1.62 0.02 0.00 -2.93 0.00 0.00 61.98 57.98 2pdz s VAL 82 Cb -0.31 -1.42 0.19 0.00 -1.53 0.00 0.00 36.38 33.31 2pdz s VAL 82 CO 0.34 -0.39 0.60 -0.54 -3.33 0.00 0.00 175.10 171.78 2pdz s LYS 83 N -2.48 2.79 -0.24 1.54 1.02 0.24 0.76 119.74 123.37 2pdz s LYS 83 Ca 0.06 -3.23 -0.40 0.00 0.02 0.00 0.00 55.97 52.43 2pdz s LYS 83 Cb -0.06 -3.66 -0.16 0.00 -0.52 0.00 0.00 37.83 33.43 2pdz s LYS 83 CO 0.03 -1.26 1.70 0.98 -0.92 0.00 0.00 175.35 175.88 2pdz n TYR 84 N 2.29 2.00 -2.49 3.18 4.19 -1.26 -2.48 117.16 122.59 2pdz n TYR 84 Ca 0.19 0.55 -0.30 0.00 3.31 0.00 0.00 57.90 61.65 2pdz n TYR 84 Cb 0.36 -2.45 -0.00 0.00 0.49 0.00 0.00 39.34 37.74 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 5.09 3.38 0.00 2.98 2.81 0.25 -4.94 117.12 126.70 2pdz n MET 85 Ca 0.26 -4.43 0.03 0.00 -1.81 0.00 0.00 57.70 51.74 2pdz n MET 85 Cb 0.13 -2.26 0.15 0.00 -0.71 0.00 0.00 33.22 30.54 2pdz n MET 85 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84