#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ocz n SER 2 N 0.00 -3.32 0.00 0.00 2.88 -1.26 -5.08 113.62 106.84 1ocz n SER 2 Ca 0.00 1.27 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 1ocz n SER 2 Cb 0.00 -2.81 0.00 0.00 -0.75 0.00 0.00 64.21 60.65 1ocz n SER 2 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1ocz n GLY 3 N 1.88 3.55 0.00 0.46 0.00 -1.26 -5.13 105.19 104.69 1ocz n GLY 3 Ca 0.00 -0.52 0.00 0.00 0.00 0.00 0.00 46.02 45.50 1ocz n GLY 3 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ocz n GLY 4 N 3.56 0.55 0.00 -0.02 0.00 -1.26 -5.10 105.19 102.92 1ocz n GLY 4 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ocz n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ocz n GLY 5 N 0.00 1.65 3.81 -0.02 0.00 -1.26 -5.13 105.19 104.24 1ocz n GLY 5 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1ocz n GLY 5 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1ocz s VAL 6 N -2.00 5.12 0.60 1.61 -7.23 -1.26 -5.05 120.40 112.19 1ocz s VAL 6 Ca 0.00 0.78 -0.19 0.00 -1.81 0.00 0.00 61.98 60.76 1ocz s VAL 6 Cb 0.00 -3.70 -0.04 0.00 0.56 0.00 0.00 36.38 33.21 1ocz s VAL 6 CO 0.00 0.51 1.18 -2.65 -0.31 0.00 0.00 175.10 173.84 1ocz n PRO 7 N 2.37 1.17 -4.04 4.82 -0.02 -1.26 -5.04 135.00 133.01 1ocz n PRO 7 Ca -0.13 0.45 -0.22 0.00 -2.02 0.00 0.00 63.50 61.58 1ocz n PRO 7 Cb 0.52 -2.39 -0.03 0.00 -0.02 0.00 0.00 33.50 31.58 1ocz n PRO 7 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ocz s THR 8 N -1.40 4.87 0.18 3.45 -4.23 -1.26 -4.95 115.64 112.29 1ocz s THR 8 Ca 0.77 -1.15 -0.10 0.00 -1.18 0.00 0.00 61.69 60.03 1ocz s THR 8 Cb -0.41 -3.63 0.08 0.00 1.34 0.00 0.00 72.50 69.88 1ocz s THR 8 CO 0.45 -0.31 1.68 0.44 -0.54 0.00 0.00 174.62 176.34 1ocz h ASP 9 N 1.44 0.96 0.00 3.99 3.32 -1.96 0.41 116.42 124.59 1ocz h ASP 9 Ca -0.50 -0.25 0.00 0.00 0.02 0.00 0.00 57.03 56.30 1ocz h ASP 9 Cb 1.23 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1ocz h ASP 9 CO 0.61 0.96 0.12 1.21 -1.72 0.00 0.00 179.24 180.42 1ocz n GLU 10 N -4.31 0.08 0.00 3.56 0.00 -1.26 0.24 120.64 118.95 1ocz n GLU 10 Ca 0.04 0.55 0.00 0.00 0.00 0.00 0.00 57.16 57.74 1ocz n GLU 10 Cb 0.26 -1.89 0.00 0.00 0.00 0.00 0.00 31.44 29.81 1ocz n GLU 10 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.13 176.28 1ocz n GLU 11 N -1.93 3.06 0.00 5.31 0.28 -0.64 -4.87 120.64 121.85 1ocz n GLU 11 Ca -0.01 -0.09 0.00 0.00 -0.16 0.00 0.00 57.16 56.90 1ocz n GLU 11 Cb 0.14 -0.46 0.00 0.00 1.43 0.00 0.00 31.44 32.55 1ocz n GLU 11 CO 0.00 0.00 0.00 0.94 -0.16 0.00 0.00 177.13 177.91 1ocz n GLN 12 N -0.46 2.81 -1.92 3.44 7.27 0.13 -4.89 117.38 123.76 1ocz n GLN 12 Ca 0.00 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.66 1ocz n GLN 12 Cb 0.02 -0.30 -0.01 0.00 2.41 0.00 0.00 30.24 32.36 1ocz n GLN 12 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ocz s ALA 13 N -0.44 3.59 0.00 1.69 0.00 0.14 -4.99 121.76 121.75 1ocz s ALA 13 Ca 0.00 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.41 1ocz s ALA 13 Cb 0.00 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.55 1ocz s ALA 13 CO 0.00 -0.88 0.00 -2.37 0.00 0.00 0.00 175.76 172.51 1ocz n THR 14 N 1.13 0.00 0.00 0.00 5.66 -1.26 -4.67 114.28 115.14 1ocz n THR 14 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 1ocz n THR 14 Cb 0.40 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.18 1ocz n THR 14 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ocz n GLY 15 N 2.64 0.64 0.36 1.09 0.00 -1.26 -0.10 105.19 108.55 1ocz n GLY 15 Ca 0.00 -0.50 0.15 0.00 0.00 0.00 0.00 46.02 45.68 1ocz n GLY 15 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1ocz h LEU 16 N 0.00 0.20 -0.27 0.99 5.85 -1.99 -0.35 115.31 119.74 1ocz h LEU 16 Ca 0.00 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.76 1ocz h LEU 16 Cb 0.00 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 1ocz h LEU 16 CO 0.00 0.11 0.09 -0.08 -0.34 0.00 0.00 178.44 178.22 1ocz h GLU 17 N 0.22 0.20 -0.36 1.25 4.81 -1.91 0.27 114.58 119.06 1ocz h GLU 17 Ca 0.26 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.42 1ocz h GLU 17 Cb 0.73 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.05 1ocz h GLU 17 CO -0.05 0.13 -0.01 -0.09 -0.73 0.00 0.00 179.01 178.26 1ocz h ARG 18 N 0.21 0.65 -0.29 1.92 2.43 0.12 -0.84 114.38 118.57 1ocz h ARG 18 Ca 0.12 -0.21 0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1ocz h ARG 18 Cb 0.10 -0.05 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 1ocz h ARG 18 CO -0.13 0.77 -0.03 1.49 -1.51 0.00 0.00 179.97 180.55 1ocz h GLU 19 N 0.46 0.04 0.00 0.20 4.81 -0.69 0.55 114.58 119.96 1ocz h GLU 19 Ca 0.10 -0.00 -0.07 0.00 -0.13 0.00 0.00 59.36 59.26 1ocz h GLU 19 Cb 0.48 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 1ocz h GLU 19 CO 0.02 0.03 -0.33 -0.39 -0.73 0.00 0.00 179.01 177.61 1ocz h VAL 20 N 0.05 0.83 -0.02 0.32 -1.51 -0.38 -2.36 116.25 113.18 1ocz h VAL 20 Ca 0.14 -1.36 -0.00 0.00 -1.23 0.00 0.00 66.70 64.25 1ocz h VAL 20 Cb 0.20 1.84 -0.00 0.00 -2.13 0.00 0.00 31.29 31.20 1ocz h VAL 20 CO -0.26 0.32 0.00 -0.03 -1.23 0.00 0.00 177.57 176.37 1ocz h MET 21 N 0.00 0.03 0.31 5.19 1.85 0.49 -2.28 114.93 120.52 1ocz h MET 21 Ca -0.00 -0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.06 1ocz h MET 21 Cb 0.81 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.84 1ocz h MET 21 CO 0.04 0.30 -0.15 -0.07 -0.40 0.00 0.00 176.91 176.64 1ocz h LEU 22 N -0.24 -0.35 -1.65 3.39 3.38 -0.96 -3.06 115.31 115.82 1ocz h LEU 22 Ca 0.01 -0.17 0.33 0.00 0.09 0.00 0.00 57.88 58.13 1ocz h LEU 22 Cb 0.28 0.09 -0.08 0.00 0.09 0.00 0.00 40.66 41.05 1ocz h LEU 22 CO 0.00 0.01 0.79 0.00 0.09 0.00 0.00 178.44 179.34 1ocz h ALA 23 N -0.20 2.72 -0.07 1.53 0.00 -1.47 0.32 119.26 122.09 1ocz h ALA 23 Ca -0.04 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ocz h ALA 23 Cb 0.50 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1ocz h ALA 23 CO 0.07 -1.13 0.05 0.00 0.00 0.00 0.00 179.25 178.23 1ocz h ALA 24 N 1.51 0.09 -0.15 0.00 0.00 -1.31 -1.13 119.26 118.27 1ocz h ALA 24 Ca 0.62 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.45 1ocz h ALA 24 Cb 2.03 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.78 1ocz h ALA 24 CO -0.18 -0.41 -0.19 0.07 0.00 0.00 0.00 179.25 178.53 1ocz h ARG 25 N 0.08 0.25 0.00 0.00 0.11 -0.30 -1.06 114.38 113.47 1ocz h ARG 25 Ca 0.03 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 60.03 1ocz h ARG 25 Cb 0.01 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.06 1ocz h ARG 25 CO -0.01 0.45 0.00 1.63 0.10 0.00 0.00 179.97 182.14 1ocz n LYS 26 N -4.21 0.91 -0.14 0.08 5.02 -0.86 -4.88 118.16 114.08 1ocz n LYS 26 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1ocz n LYS 26 Cb 0.32 -1.40 0.00 0.00 -0.02 0.00 0.00 35.03 33.93 1ocz n LYS 26 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ocz n GLY 27 N 0.74 2.52 3.90 0.72 0.00 -0.40 -5.01 105.19 107.66 1ocz n GLY 27 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1ocz n GLY 27 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ocz s GLN 28 N -0.01 3.11 -0.48 1.61 1.11 -0.47 -4.96 119.66 119.58 1ocz s GLN 28 Ca 0.00 0.19 0.08 0.00 0.01 0.00 0.00 55.36 55.64 1ocz s GLN 28 Cb 0.00 -2.23 0.29 0.00 -1.01 0.00 0.00 33.01 30.06 1ocz s GLN 28 CO 0.00 -0.64 0.70 -3.47 0.01 0.00 0.00 175.29 171.89 1ocz n ASP 29 N -2.60 1.91 0.10 5.90 2.03 -1.26 -3.82 116.55 118.80 1ocz n ASP 29 Ca 0.04 -3.11 0.08 0.00 0.52 0.00 0.00 54.79 52.32 1ocz n ASP 29 Cb 0.57 -0.63 0.40 0.00 -0.72 0.00 0.00 41.12 40.74 1ocz n ASP 29 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 1ocz n PRO 30 N 0.72 0.10 -0.69 -0.67 -0.04 -1.26 -3.06 135.00 130.11 1ocz n PRO 30 Ca 0.26 0.52 0.00 0.00 -0.04 0.00 0.00 63.50 64.24 1ocz n PRO 30 Cb 0.51 -1.79 0.24 0.00 -0.04 0.00 0.00 33.50 32.42 1ocz n PRO 30 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ocz n TYR 31 N -2.00 1.28 -4.17 0.54 4.01 -1.26 -4.82 117.16 110.74 1ocz n TYR 31 Ca 0.00 -1.25 -0.30 0.00 -0.16 0.00 0.00 57.90 56.19 1ocz n TYR 31 Cb 0.08 -0.46 -0.05 0.00 -0.31 0.00 0.00 39.34 38.60 1ocz n TYR 31 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 1ocz n ASN 32 N -0.76 -0.50 0.13 7.72 3.02 -1.17 -4.87 115.26 118.83 1ocz n ASN 32 Ca 0.30 -1.12 0.07 0.00 -0.03 0.00 0.00 54.58 53.80 1ocz n ASN 32 Cb 1.05 -2.40 0.04 0.00 -0.61 0.00 0.00 39.78 37.86 1ocz n ASN 32 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1ocz h ILE 33 N -1.69 0.36 -2.11 2.41 2.04 -1.95 -3.47 117.51 113.10 1ocz h ILE 33 Ca -0.63 -1.56 -0.58 0.00 1.00 0.00 0.00 64.86 63.09 1ocz h ILE 33 Cb 1.39 2.02 -0.11 0.00 -0.74 0.00 0.00 36.82 39.38 1ocz h ILE 33 CO 0.70 0.20 -0.67 -0.76 0.00 0.00 0.00 178.15 177.63 1ocz s LEU 34 N -6.02 2.97 -0.21 1.44 1.02 -1.26 -5.10 118.68 111.52 1ocz s LEU 34 Ca 0.03 -0.86 -0.28 0.00 0.02 0.00 0.00 54.13 53.04 1ocz s LEU 34 Cb 0.07 -1.44 0.00 0.00 0.02 0.00 0.00 46.19 44.85 1ocz s LEU 34 CO 0.75 -0.07 0.96 0.00 0.02 0.00 0.00 176.35 178.01 1ocz s ALA 35 N -2.44 3.62 -0.00 4.21 0.00 -1.26 -4.98 121.76 120.90 1ocz s ALA 35 Ca 0.32 0.12 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 1ocz s ALA 35 Cb -0.04 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 19.58 1ocz s ALA 35 CO 0.18 -0.90 1.76 -2.14 0.00 0.00 0.00 175.76 174.66 1ocz s PRO 36 N 2.80 4.17 0.30 0.00 0.02 -1.26 -4.95 135.00 136.08 1ocz s PRO 36 Ca 0.42 2.35 -0.28 0.00 0.02 0.00 0.00 61.00 63.51 1ocz s PRO 36 Cb -0.16 -3.98 -0.09 0.00 0.02 0.00 0.00 34.50 30.29 1ocz s PRO 36 CO 0.09 -0.86 1.02 -1.59 -0.33 0.00 0.00 177.00 175.33 1ocz s LYS 37 N 3.93 4.60 0.77 5.54 0.00 -1.26 -5.04 119.74 128.29 1ocz s LYS 37 Ca 0.78 1.59 -0.12 0.00 0.00 0.00 0.00 55.97 58.23 1ocz s LYS 37 Cb -0.37 -3.03 0.05 0.00 0.00 0.00 0.00 37.83 34.48 1ocz s LYS 37 CO 0.34 0.24 1.11 0.00 0.00 0.00 0.00 175.35 177.04 1ocz s ALA 38 N -1.33 2.55 0.46 0.59 0.00 -1.26 -5.03 121.76 117.73 1ocz s ALA 38 Ca 0.47 -0.36 0.01 0.00 0.00 0.00 0.00 51.96 52.07 1ocz s ALA 38 Cb -0.26 -3.04 0.01 0.00 0.00 0.00 0.00 23.12 19.82 1ocz s ALA 38 CO 0.33 -1.52 0.06 0.25 0.00 0.00 0.00 175.76 174.89 1ocz n THR 39 N -3.26 0.00 0.26 0.00 -2.24 -1.26 -5.00 114.28 102.78 1ocz n THR 39 Ca 0.07 -2.11 0.08 0.00 -2.27 0.00 0.00 64.05 59.83 1ocz n THR 39 Cb 0.58 0.34 0.37 0.00 -2.10 0.00 0.00 70.33 69.52 1ocz n THR 39 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1ocz n SER 40 N -1.37 0.35 -1.50 3.42 3.41 -1.26 -4.85 113.62 111.81 1ocz n SER 40 Ca -0.16 0.62 -0.18 0.00 -0.26 0.00 0.00 58.87 58.89 1ocz n SER 40 Cb 0.57 -0.68 -0.08 0.00 -0.26 0.00 0.00 64.21 63.76 1ocz n SER 40 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ocz n GLY 41 N -0.72 1.75 3.71 5.00 0.00 0.49 -4.92 105.19 110.49 1ocz n GLY 41 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 1ocz n GLY 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ocz s THR 42 N -2.55 1.95 0.48 2.61 -4.23 -0.82 -1.20 115.64 111.87 1ocz s THR 42 Ca 0.00 0.00 0.15 0.00 -1.18 0.00 0.00 61.69 60.66 1ocz s THR 42 Cb 0.00 -2.59 0.22 0.00 1.34 0.00 0.00 72.50 71.47 1ocz s THR 42 CO 0.00 0.00 2.06 0.50 -0.54 0.00 0.00 174.62 176.64 1ocz h LYS 43 N -1.87 0.04 0.00 3.99 3.64 -1.98 -2.69 116.57 117.71 1ocz h LYS 43 Ca -0.52 -0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 58.65 1ocz h LYS 43 Cb 1.33 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 33.10 1ocz h LYS 43 CO 0.56 0.12 -1.44 1.05 -2.27 0.00 0.00 179.45 177.46 1ocz h GLU 44 N 0.04 0.00 -2.35 1.90 9.09 -2.00 -3.40 114.58 117.85 1ocz h GLU 44 Ca 0.01 0.00 -0.60 0.00 0.05 0.00 0.00 59.36 58.82 1ocz h GLU 44 Cb 0.16 0.00 -0.42 0.00 -1.65 0.00 0.00 28.75 26.84 1ocz h GLU 44 CO 0.01 0.41 -0.59 -3.47 0.05 0.00 0.00 179.01 175.41 1ocz n ASP 45 N -2.99 3.59 -4.90 3.06 2.03 -1.03 -5.10 116.55 111.22 1ocz n ASP 45 Ca -0.11 -3.40 -0.29 0.00 0.52 0.00 0.00 54.79 51.52 1ocz n ASP 45 Cb 0.91 -0.69 0.05 0.00 -0.72 0.00 0.00 41.12 40.68 1ocz n ASP 45 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1ocz s PRO 46 N -2.29 2.69 0.03 -0.67 0.04 -1.12 -0.38 135.00 133.30 1ocz s PRO 46 Ca 0.37 0.25 -0.28 0.00 0.04 0.00 0.00 61.00 61.38 1ocz s PRO 46 Cb 0.12 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 1ocz s PRO 46 CO -0.04 -1.06 0.89 -0.80 0.04 0.00 0.00 177.00 176.03 1ocz s ASN 47 N -4.39 7.31 -0.53 6.66 0.01 -0.00 -4.75 114.94 119.24 1ocz s ASN 47 Ca 0.58 1.57 -0.16 0.00 -0.71 0.00 0.00 52.86 54.14 1ocz s ASN 47 Cb -0.11 -2.53 0.13 0.00 0.41 0.00 0.00 41.25 39.15 1ocz s ASN 47 CO 0.49 -0.13 0.49 -0.76 -1.51 0.00 0.00 177.10 175.68 1ocz s LEU 48 N 0.50 6.15 -0.60 0.60 1.43 -1.26 -0.84 118.68 124.67 1ocz s LEU 48 Ca 0.46 -1.76 -0.25 0.00 -1.03 0.00 0.00 54.13 51.54 1ocz s LEU 48 Cb -0.21 -2.21 0.04 0.00 0.03 0.00 0.00 46.19 43.85 1ocz s LEU 48 CO 0.26 -0.84 1.03 -0.69 0.23 0.00 0.00 176.35 176.34 1ocz s VAL 49 N 1.60 4.23 0.94 -1.59 1.01 -0.47 -4.85 120.40 121.27 1ocz s VAL 49 Ca 0.03 0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 1ocz s VAL 49 Cb -0.30 -4.65 0.16 0.00 0.00 0.00 0.00 36.38 31.59 1ocz s VAL 49 CO 0.03 -1.31 1.09 -2.84 0.00 0.00 0.00 175.10 172.07 1ocz s PRO 50 N 4.38 0.86 -0.29 2.72 0.02 -1.26 -0.95 135.00 140.48 1ocz s PRO 50 Ca 0.32 1.02 -0.21 0.00 0.02 0.00 0.00 61.00 62.15 1ocz s PRO 50 Cb -0.12 -1.75 0.16 0.00 0.02 0.00 0.00 34.50 32.82 1ocz s PRO 50 CO 0.18 -2.57 1.17 0.45 -0.33 0.00 0.00 177.00 175.90 1ocz s SER 51 N -3.07 -0.28 0.00 2.53 0.15 0.77 -4.72 113.70 109.08 1ocz s SER 51 Ca 0.65 0.50 0.05 0.00 0.70 0.00 0.00 55.95 57.84 1ocz s SER 51 Cb -0.20 0.79 0.22 0.00 -1.71 0.00 0.00 66.02 65.11 1ocz s SER 51 CO 0.59 -0.08 1.15 0.00 1.20 0.00 0.00 173.24 176.10 1ocz n ILE 52 N 2.61 0.07 -3.96 6.45 3.06 -1.26 -0.91 119.36 125.43 1ocz n ILE 52 Ca -0.14 -0.08 -0.10 0.00 -2.50 0.00 0.00 62.75 59.93 1ocz n ILE 52 Cb 0.57 0.01 -0.03 0.00 0.54 0.00 0.00 39.64 40.72 1ocz n ILE 52 CO 0.00 0.00 0.00 -0.89 -2.50 0.00 0.00 176.55 173.16 1ocz s THR 53 N -1.93 0.00 -1.64 9.51 2.01 -1.26 -4.94 115.64 117.38 1ocz s THR 53 Ca 0.08 -1.30 0.11 0.00 0.31 0.00 0.00 61.69 60.89 1ocz s THR 53 Cb 0.04 -2.36 0.23 0.00 0.01 0.00 0.00 72.50 70.42 1ocz s THR 53 CO 0.06 0.00 1.17 -0.46 -0.69 0.00 0.00 174.62 174.70 1ocz n ASN 54 N -0.75 0.00 -3.67 3.53 6.94 -1.26 -4.78 115.26 115.28 1ocz n ASN 54 Ca -0.03 -0.04 -0.14 0.00 -0.02 0.00 0.00 54.58 54.35 1ocz n ASN 54 Cb 0.61 -0.18 -0.07 0.00 -2.36 0.00 0.00 39.78 37.78 1ocz n ASN 54 CO 0.00 0.00 0.00 -1.59 -1.03 0.00 0.00 177.26 174.64 1ocz s LYS 55 N -2.36 0.85 -0.19 -3.83 -2.85 -1.26 -0.65 119.74 109.45 1ocz s LYS 55 Ca 0.12 -0.14 -0.14 0.00 -1.00 0.00 0.00 55.97 54.81 1ocz s LYS 55 Cb 0.07 0.38 0.06 0.00 -2.06 0.00 0.00 37.83 36.28 1ocz s LYS 55 CO 0.15 -0.26 0.49 0.50 0.10 0.00 0.00 175.35 176.32 1ocz s ARG 56 N -1.68 0.52 0.07 1.78 3.52 0.52 -4.94 118.95 118.74 1ocz s ARG 56 Ca -0.10 0.80 -0.31 0.00 -0.13 0.00 0.00 55.73 55.99 1ocz s ARG 56 Cb -0.02 0.14 -0.07 0.00 -1.56 0.00 0.00 34.95 33.43 1ocz s ARG 56 CO 0.03 -0.11 1.42 0.42 -0.81 0.00 0.00 175.30 176.25 1ocz s ILE 57 N 0.89 3.40 -0.08 4.11 1.01 -1.26 0.01 121.20 129.28 1ocz s ILE 57 Ca -0.05 0.94 0.02 0.00 0.00 0.00 0.00 60.65 61.56 1ocz s ILE 57 Cb -0.06 -3.60 -0.02 0.00 0.01 0.00 0.00 42.46 38.79 1ocz s ILE 57 CO -0.07 0.04 -0.15 -0.69 0.00 0.00 0.00 174.94 174.07 1ocz s VAL 58 N 1.68 3.00 -0.14 2.92 1.01 0.92 -4.90 120.40 124.89 1ocz s VAL 58 Ca 0.65 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1ocz s VAL 58 Cb -0.35 -2.20 -0.02 0.00 0.00 0.00 0.00 36.38 33.80 1ocz s VAL 58 CO 0.29 0.57 -0.07 -0.83 0.00 0.00 0.00 175.10 175.06 1ocz s GLY 59 N -0.33 1.66 -0.21 4.51 0.00 -1.26 -1.43 107.32 110.26 1ocz s GLY 59 Ca 0.03 -0.84 -0.01 0.00 0.00 0.00 0.00 44.72 43.90 1ocz s GLY 59 CO 0.02 -0.14 -0.13 0.00 0.00 0.00 0.00 173.10 172.86 1ocz n ILE 61 N 4.66 4.39 -0.32 0.00 5.41 -1.26 -0.89 119.36 131.35 1ocz n ILE 61 Ca -0.19 -4.97 0.03 0.00 1.00 0.00 0.00 62.75 58.63 1ocz n ILE 61 Cb 0.49 -2.49 0.10 0.00 -0.71 0.00 0.00 39.64 37.02 1ocz n ILE 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ocz s GLU 63 N -6.01 1.63 0.35 0.00 2.02 -1.26 -5.04 118.70 110.39 1ocz s GLU 63 Ca -0.13 -0.94 0.17 0.00 0.02 0.00 0.00 54.97 54.09 1ocz s GLU 63 Cb 0.22 -1.71 1.15 0.00 0.10 0.00 0.00 34.13 33.90 1ocz s GLU 63 CO 0.66 0.45 1.65 1.49 0.02 0.00 0.00 175.26 179.53 1ocz h GLU 64 N 5.09 0.25 0.49 1.61 4.81 -2.03 -1.43 114.58 123.38 1ocz h GLU 64 Ca -0.43 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 58.76 1ocz h GLU 64 Cb 1.15 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1ocz h GLU 64 CO 0.45 0.17 -0.24 -0.44 -0.73 0.00 0.00 179.01 178.22 1ocz h ASP 65 N 0.26 -0.56 0.00 1.04 5.19 -1.96 -3.47 116.42 116.92 1ocz h ASP 65 Ca 0.76 -0.07 0.00 0.00 -0.62 0.00 0.00 57.03 57.10 1ocz h ASP 65 Cb 1.82 0.14 0.00 0.00 0.18 0.00 0.00 39.33 41.48 1ocz h ASP 65 CO -0.61 -0.24 0.00 0.59 -3.12 0.00 0.00 179.24 175.86 1ocz n ASN 66 N -5.29 0.00 0.14 6.45 4.13 -0.54 -4.86 115.26 115.30 1ocz n ASN 66 Ca -0.11 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.23 1ocz n ASN 66 Cb 0.31 0.00 0.05 0.00 -1.54 0.00 0.00 39.78 38.60 1ocz n ASN 66 CO 0.00 0.00 0.00 0.77 0.28 0.00 0.00 177.26 178.31 1ocz h SER 67 N 0.00 0.00 -3.47 6.41 4.64 -1.91 -3.45 113.55 115.78 1ocz h SER 67 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 1ocz h SER 67 Cb 0.00 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 61.97 1ocz h SER 67 CO 0.00 0.17 -0.36 -0.89 -0.87 0.00 0.00 176.83 174.89 1ocz s THR 68 N -3.18 5.29 -0.16 2.95 2.01 -1.26 -5.09 115.64 116.22 1ocz s THR 68 Ca 0.02 0.44 -0.07 0.00 0.31 0.00 0.00 61.69 62.40 1ocz s THR 68 Cb 0.08 -3.61 -0.04 0.00 0.01 0.00 0.00 72.50 68.94 1ocz s THR 68 CO 0.74 0.33 0.07 -0.69 -0.69 0.00 0.00 174.62 174.38 1ocz s VAL 69 N 0.99 4.86 -0.32 3.82 1.01 -1.26 -4.64 120.40 124.86 1ocz s VAL 69 Ca 0.13 -0.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.91 1ocz s VAL 69 Cb -0.14 -3.15 -0.01 0.00 0.00 0.00 0.00 36.38 33.08 1ocz s VAL 69 CO 0.05 0.51 0.52 -0.63 0.00 0.00 0.00 175.10 175.55 1ocz s ILE 70 N -0.08 5.03 -0.01 2.22 -1.09 -0.07 -4.81 121.20 122.38 1ocz s ILE 70 Ca 0.07 0.54 -0.02 0.00 -2.23 0.00 0.00 60.65 59.01 1ocz s ILE 70 Cb -0.12 -3.92 -0.04 0.00 -1.58 0.00 0.00 42.46 36.80 1ocz s ILE 70 CO 0.01 -0.12 0.13 0.26 -1.23 0.00 0.00 174.94 173.99 1ocz s TRP 71 N 2.39 3.42 -0.23 3.97 0.52 -1.26 0.82 118.94 128.57 1ocz s TRP 71 Ca 0.20 0.29 -0.28 0.00 0.02 0.00 0.00 56.10 56.32 1ocz s TRP 71 Cb -0.15 -1.79 0.15 0.00 -1.15 0.00 0.00 33.47 30.53 1ocz s TRP 71 CO 0.12 0.60 1.14 -0.59 0.02 0.00 0.00 176.95 178.24 1ocz s PHE 72 N -1.25 -0.27 0.27 -1.98 -0.12 -0.52 -4.98 117.98 109.13 1ocz s PHE 72 Ca 0.25 0.54 -0.29 0.00 -0.05 0.00 0.00 56.93 57.37 1ocz s PHE 72 Cb -0.12 0.45 -0.09 0.00 -0.63 0.00 0.00 43.02 42.62 1ocz s PHE 72 CO 0.16 -0.21 1.10 -1.58 -0.05 0.00 0.00 175.22 174.64 1ocz s TRP 73 N -0.71 3.58 -0.24 3.49 0.52 -1.26 -0.05 118.94 124.26 1ocz s TRP 73 Ca 0.03 1.69 -0.05 0.00 0.02 0.00 0.00 56.10 57.79 1ocz s TRP 73 Cb -0.02 -3.29 -0.01 0.00 -1.15 0.00 0.00 33.47 29.00 1ocz s TRP 73 CO -0.04 -0.57 -0.00 -1.17 0.02 0.00 0.00 176.95 175.19 1ocz s LEU 74 N -1.38 3.14 0.34 2.99 0.20 0.10 -4.87 118.68 119.19 1ocz s LEU 74 Ca 0.45 -0.39 0.07 0.00 0.69 0.00 0.00 54.13 54.95 1ocz s LEU 74 Cb -0.32 -1.80 -0.01 0.00 -0.43 0.00 0.00 46.19 43.63 1ocz s LEU 74 CO 0.41 -0.04 0.43 -1.00 -0.29 0.00 0.00 176.35 175.85 1ocz s HIS 75 N 1.51 3.04 0.11 5.38 3.76 -1.26 -0.35 115.29 127.48 1ocz s HIS 75 Ca 0.05 -0.25 -0.31 0.00 -0.15 0.00 0.00 55.06 54.40 1ocz s HIS 75 Cb -0.15 -1.96 -0.08 0.00 1.11 0.00 0.00 32.58 31.50 1ocz s HIS 75 CO -0.01 0.02 1.50 0.21 -0.85 0.00 0.00 174.74 175.62 1ocz s LYS 76 N -4.13 4.26 0.00 1.40 2.20 0.18 -4.45 119.74 119.19 1ocz s LYS 76 Ca 0.44 2.21 0.00 0.00 -0.36 0.00 0.00 55.97 58.26 1ocz s LYS 76 Cb -0.08 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 32.91 1ocz s LYS 76 CO 0.30 -0.57 0.00 0.41 -0.36 0.00 0.00 175.35 175.13 1ocz n GLY 77 N 3.70 0.56 3.77 5.54 0.00 -1.26 -5.07 105.19 112.43 1ocz n GLY 77 Ca 0.13 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.32 1ocz n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ocz s GLU 78 N -1.96 4.24 0.16 1.61 0.41 -1.26 -4.67 118.70 117.23 1ocz s GLU 78 Ca 0.00 2.38 -0.34 0.00 -0.41 0.00 0.00 54.97 56.60 1ocz s GLU 78 Cb 0.00 -3.04 -0.15 0.00 -1.78 0.00 0.00 34.13 29.16 1ocz s GLU 78 CO 0.00 -0.38 1.37 0.00 -0.49 0.00 0.00 175.26 175.76 1ocz n ALA 79 N 1.13 0.05 -2.14 5.21 0.00 -1.26 -4.92 120.51 118.58 1ocz n ALA 79 Ca 0.02 0.47 -0.20 0.00 0.00 0.00 0.00 53.44 53.73 1ocz n ALA 79 Cb 0.40 -2.17 -0.00 0.00 0.00 0.00 0.00 19.45 17.68 1ocz n ALA 79 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ocz s GLN 80 N 0.20 2.59 -0.04 0.00 -0.21 0.16 -4.85 119.66 117.51 1ocz s GLN 80 Ca 0.77 -1.48 0.02 0.00 0.02 0.00 0.00 55.36 54.69 1ocz s GLN 80 Cb -0.80 -2.52 0.01 0.00 1.00 0.00 0.00 33.01 30.70 1ocz s GLN 80 CO 0.46 -0.33 -0.08 1.03 -2.12 0.00 0.00 175.29 174.25 1ocz s ARG 81 N -4.28 1.12 -0.13 2.91 0.52 -1.26 -0.24 118.95 117.59 1ocz s ARG 81 Ca 0.51 -0.26 -0.38 0.00 -0.52 0.00 0.00 55.73 55.08 1ocz s ARG 81 Cb -0.06 -1.02 -0.16 0.00 0.52 0.00 0.00 34.95 34.24 1ocz s ARG 81 CO 0.30 0.02 1.62 0.00 0.02 0.00 0.00 175.30 177.26 1ocz h PRO 83 N 6.46 0.00 0.00 0.00 0.11 -1.94 0.15 132.00 136.78 1ocz h PRO 83 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1ocz h PRO 83 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 1ocz h PRO 83 CO 0.90 0.00 -1.34 -1.13 -0.21 0.00 0.00 178.00 176.22 1ocz n SER 84 N -3.99 0.49 -0.71 -2.05 3.41 -1.26 -4.67 113.62 104.84 1ocz n SER 84 Ca 0.10 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 1ocz n SER 84 Cb 0.66 1.16 -0.00 0.00 -0.26 0.00 0.00 64.21 65.76 1ocz n SER 84 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ocz n GLY 86 N 0.08 1.51 1.89 0.00 0.00 0.45 -4.89 105.19 104.24 1ocz n GLY 86 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1ocz n GLY 86 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1ocz n THR 87 N 0.00 -7.31 -3.40 2.61 -1.04 -1.26 0.25 114.28 104.13 1ocz n THR 87 Ca 0.00 1.84 -0.38 0.00 -2.04 0.00 0.00 64.05 63.47 1ocz n THR 87 Cb 0.00 -3.33 -0.06 0.00 -1.82 0.00 0.00 70.33 65.12 1ocz n THR 87 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1ocz s HIS 88 N -0.29 3.75 -0.05 -1.42 0.09 -0.34 -2.30 115.29 114.74 1ocz s HIS 88 Ca 0.00 1.11 0.01 0.00 -0.00 0.00 0.00 55.06 56.18 1ocz s HIS 88 Cb 0.00 -2.37 0.02 0.00 -0.00 0.00 0.00 32.58 30.23 1ocz s HIS 88 CO 0.00 0.61 -0.05 0.71 -0.00 0.00 0.00 174.74 176.01 1ocz s TYR 89 N -1.12 0.83 -0.12 1.40 2.02 0.67 -0.82 117.35 120.22 1ocz s TYR 89 Ca 0.27 -0.25 -0.00 0.00 -0.37 0.00 0.00 57.07 56.72 1ocz s TYR 89 Cb -0.18 -0.72 0.02 0.00 -0.40 0.00 0.00 41.96 40.69 1ocz s TYR 89 CO 0.16 -0.21 -0.10 0.21 -1.57 0.00 0.00 175.55 174.05 1ocz s LYS 90 N 0.91 1.76 0.69 -0.62 2.47 -0.02 0.36 119.74 125.30 1ocz s LYS 90 Ca -0.11 -0.35 -0.15 0.00 -1.56 0.00 0.00 55.97 53.79 1ocz s LYS 90 Cb -0.14 -1.73 0.02 0.00 -1.46 0.00 0.00 37.83 34.52 1ocz s LYS 90 CO 0.00 -0.24 1.17 -1.17 0.16 0.00 0.00 175.35 175.27 1ocz s LEU 91 N 1.57 3.37 0.00 5.43 2.96 -1.26 -1.37 118.68 129.38 1ocz s LEU 91 Ca 0.04 2.21 -0.10 0.00 -0.22 0.00 0.00 54.13 56.06 1ocz s LEU 91 Cb -0.13 -4.57 0.01 0.00 0.50 0.00 0.00 46.19 41.99 1ocz s LEU 91 CO -0.08 -1.96 0.19 -0.69 -1.32 0.00 0.00 176.35 172.49 1ocz s VAL 92 N -2.10 0.08 0.31 1.68 1.01 -0.12 -4.79 120.40 116.47 1ocz s VAL 92 Ca 0.72 -0.64 -0.28 0.00 0.00 0.00 0.00 61.98 61.77 1ocz s VAL 92 Cb -0.26 -0.51 -0.09 0.00 0.00 0.00 0.00 36.38 35.52 1ocz s VAL 92 CO 0.43 -0.35 1.09 -2.16 0.00 0.00 0.00 175.10 174.10 1ocz s PRO 93 N -1.44 4.50 0.90 2.72 0.04 -1.26 -0.17 135.00 140.29 1ocz s PRO 93 Ca -0.14 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 62.52 1ocz s PRO 93 Cb -0.07 -3.01 0.13 0.00 0.04 0.00 0.00 34.50 31.60 1ocz s PRO 93 CO 0.02 0.11 1.09 -1.58 0.04 0.00 0.00 177.00 176.68 1ocz s HIS 94 N -1.30 2.18 0.00 0.56 2.46 -0.09 -4.34 115.29 114.76 1ocz s HIS 94 Ca 0.48 1.37 0.00 0.00 0.47 0.00 0.00 55.06 57.38 1ocz s HIS 94 Cb -0.29 -3.16 0.00 0.00 -0.13 0.00 0.00 32.58 29.00 1ocz s HIS 94 CO 0.37 -2.49 0.00 0.00 -2.47 0.00 0.00 174.74 170.15 1ocz n GLN 95 N -3.97 0.00 0.00 2.88 -0.00 -1.26 -4.88 117.38 110.15 1ocz n GLN 95 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.08 1ocz n GLN 95 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.78 1ocz n GLN 95 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1ocz n LEU 96 N 0.00 0.00 0.00 2.61 4.32 -1.26 -4.71 117.00 117.96 1ocz n LEU 96 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1ocz n LEU 96 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 1ocz n LEU 96 CO 0.00 0.00 0.00 0.00 -1.22 0.00 0.00 177.39 176.17 1ocz n ALA 97 N 1.11 0.00 0.00 -1.18 0.00 -1.26 -4.86 120.51 114.32 1ocz n ALA 97 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ocz n ALA 97 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1ocz n ALA 97 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11