#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ozo n THR 2 N 0.00 0.00 -0.13 1.12 -2.24 -1.26 -4.65 114.28 107.12 1ozo n THR 2 Ca 0.00 -0.34 -0.04 0.00 -2.27 0.00 0.00 64.05 61.40 1ozo n THR 2 Cb 0.00 -1.73 0.03 0.00 -2.10 0.00 0.00 70.33 66.53 1ozo n THR 2 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 1ozo h GLU 3 N 0.00 0.05 0.00 -0.78 4.81 -2.05 0.20 114.58 116.82 1ozo h GLU 3 Ca -0.16 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 58.90 1ozo h GLU 3 Cb 0.44 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 1ozo h GLU 3 CO 0.11 0.04 -1.22 -0.07 -0.73 0.00 0.00 179.01 177.14 1ozo h LEU 4 N 0.06 0.00 -1.02 1.64 -0.00 -1.98 0.91 115.31 114.92 1ozo h LEU 4 Ca 0.21 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 58.01 1ozo h LEU 4 Cb 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.96 1ozo h LEU 4 CO -0.39 0.61 -0.36 -0.33 -0.00 0.00 0.00 178.44 177.97 1ozo h GLU 5 N 0.00 0.00 -0.02 1.13 5.08 -1.90 -0.12 114.58 118.75 1ozo h GLU 5 Ca -0.13 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.01 1ozo h GLU 5 Cb 1.58 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.83 1ozo h GLU 5 CO 0.06 0.36 -0.90 0.00 -1.00 0.00 0.00 179.01 177.53 1ozo h ALA 6 N 1.64 0.41 -0.55 3.43 0.00 -0.43 0.41 119.26 124.17 1ozo h ALA 6 Ca -0.00 -0.69 0.05 0.00 0.00 0.00 0.00 54.91 54.27 1ozo h ALA 6 Cb 0.85 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.56 1ozo h ALA 6 CO 0.05 0.81 0.28 0.00 0.00 0.00 0.00 179.25 180.38 1ozo h ALA 7 N 0.78 0.72 -0.15 0.00 0.00 -0.74 0.60 119.26 120.47 1ozo h ALA 7 Ca -0.07 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1ozo h ALA 7 Cb 1.52 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1ozo h ALA 7 CO 0.16 -0.08 -0.15 0.52 0.00 0.00 0.00 179.25 179.70 1ozo h MET 8 N 0.52 0.24 -0.79 0.00 2.07 -0.86 -0.73 114.93 115.38 1ozo h MET 8 Ca 0.25 -0.06 0.13 0.00 -2.07 0.00 0.00 59.70 57.95 1ozo h MET 8 Cb 0.18 -0.03 -0.14 0.00 -1.87 0.00 0.00 31.60 29.74 1ozo h MET 8 CO -0.18 0.40 -0.35 0.78 1.07 0.00 0.00 176.91 178.62 1ozo h GLY 9 N 0.78 0.00 0.68 8.32 0.00 0.86 0.24 103.07 113.96 1ozo h GLY 9 Ca 0.04 0.47 0.06 0.00 0.00 0.00 0.00 47.33 47.90 1ozo h GLY 9 CO 0.03 -0.21 0.34 -0.33 0.00 0.00 0.00 176.54 176.37 1ozo h MET 10 N -0.08 0.62 0.00 4.80 2.86 0.61 0.43 114.93 124.17 1ozo h MET 10 Ca 0.29 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.85 1ozo h MET 10 Cb 0.57 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1ozo h MET 10 CO -0.83 0.41 -0.21 -0.84 1.06 0.00 0.00 176.91 176.50 1ozo h ILE 11 N 0.64 0.37 0.00 -1.22 -2.65 -1.00 0.12 117.51 113.78 1ozo h ILE 11 Ca 0.28 -1.49 -0.10 0.00 1.03 0.00 0.00 64.86 64.59 1ozo h ILE 11 Cb 0.18 2.15 -0.01 0.00 -2.05 0.00 0.00 36.82 37.09 1ozo h ILE 11 CO -0.18 0.21 -0.47 0.40 0.03 0.00 0.00 178.15 178.14 1ozo h ILE 12 N 0.00 1.12 0.05 0.16 1.08 -0.32 -3.29 117.51 116.31 1ozo h ILE 12 Ca -0.00 -1.75 -0.28 0.00 -0.39 0.00 0.00 64.86 62.44 1ozo h ILE 12 Cb 1.13 2.00 -0.03 0.00 -3.07 0.00 0.00 36.82 36.86 1ozo h ILE 12 CO 0.03 0.46 -1.46 -0.78 -0.69 0.00 0.00 178.15 175.71 1ozo h ASP 13 N 0.00 0.16 0.17 1.72 3.58 0.53 0.28 116.42 122.86 1ozo h ASP 13 Ca -0.00 -0.24 -0.01 0.00 0.42 0.00 0.00 57.03 57.19 1ozo h ASP 13 Cb 0.97 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.96 1ozo h ASP 13 CO 0.06 1.21 -0.05 -0.37 -2.88 0.00 0.00 179.24 177.21 1ozo h VAL 14 N 0.03 0.49 0.15 2.25 -1.51 -0.92 0.44 116.25 117.19 1ozo h VAL 14 Ca -0.20 -0.23 -0.30 0.00 -1.23 0.00 0.00 66.70 64.74 1ozo h VAL 14 Cb 1.95 1.15 0.02 0.00 -2.13 0.00 0.00 31.29 32.28 1ozo h VAL 14 CO 0.12 0.05 -1.29 0.15 -1.23 0.00 0.00 177.57 175.37 1ozo h PHE 15 N 0.00 0.84 0.00 5.19 3.04 -1.57 -3.28 116.94 121.17 1ozo h PHE 15 Ca -0.00 -0.57 0.00 0.00 3.98 0.00 0.00 57.97 61.38 1ozo h PHE 15 Cb 0.15 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.60 1ozo h PHE 15 CO 0.00 1.43 0.00 0.45 -2.02 0.00 0.00 178.31 178.17 1ozo n SER 16 N -3.70 0.00 0.07 0.41 2.88 0.96 -0.22 113.62 114.02 1ozo n SER 16 Ca -0.13 -0.69 -0.04 0.00 -1.33 0.00 0.00 58.87 56.68 1ozo n SER 16 Cb 1.02 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.46 1ozo n SER 16 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 1ozo h ARG 17 N 0.00 -0.27 0.00 -1.46 -0.00 -0.23 -3.33 114.38 109.09 1ozo h ARG 17 Ca 0.00 0.02 -0.03 0.00 -0.50 0.00 0.00 59.98 59.47 1ozo h ARG 17 Cb 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 29.97 30.03 1ozo h ARG 17 CO 0.00 -0.17 -1.99 0.66 0.00 0.00 0.00 179.97 178.47 1ozo n TYR 18 N -4.96 0.00 1.45 3.04 4.01 -0.97 -2.77 117.16 116.96 1ozo n TYR 18 Ca -0.04 0.00 0.08 0.00 -0.16 0.00 0.00 57.90 57.78 1ozo n TYR 18 Cb 0.11 -0.52 0.33 0.00 -0.31 0.00 0.00 39.34 38.95 1ozo n TYR 18 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1ozo n SER 19 N -2.27 1.08 0.00 7.72 3.41 0.69 -4.47 113.62 119.78 1ozo n SER 19 Ca -0.06 -1.73 0.03 0.00 -0.26 0.00 0.00 58.87 56.85 1ozo n SER 19 Cb 0.60 -0.09 0.18 0.00 -0.26 0.00 0.00 64.21 64.64 1ozo n SER 19 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ozo n GLY 20 N 0.95 -0.24 1.59 5.00 0.00 -1.11 -1.83 105.19 109.54 1ozo n GLY 20 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1ozo n GLY 20 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ozo n SER 21 N -1.04 0.29 -4.11 1.61 2.88 -1.26 -4.84 113.62 107.14 1ozo n SER 21 Ca 0.04 0.27 -0.09 0.00 -1.33 0.00 0.00 58.87 57.76 1ozo n SER 21 Cb 0.03 0.08 -0.09 0.00 -0.75 0.00 0.00 64.21 63.47 1ozo n SER 21 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1ozo s GLU 22 N -1.76 0.93 -0.35 -1.46 8.01 -0.76 -4.51 118.70 118.79 1ozo s GLU 22 Ca 0.00 -1.37 0.14 0.00 0.01 0.00 0.00 54.97 53.75 1ozo s GLU 22 Cb 0.00 0.26 0.43 0.00 -4.31 0.00 0.00 34.13 30.51 1ozo s GLU 22 CO 0.00 -0.27 1.30 0.41 0.01 0.00 0.00 175.26 176.71 1ozo n GLY 23 N -0.09 1.65 0.00 -1.39 0.00 -1.25 -4.81 105.19 99.30 1ozo n GLY 23 Ca -0.07 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.45 1ozo n GLY 23 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ozo n SER 24 N -0.78 0.00 -4.21 1.61 7.64 -1.26 -4.08 113.62 112.54 1ozo n SER 24 Ca -0.04 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.40 1ozo n SER 24 Cb 0.85 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 64.05 1ozo n SER 24 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1ozo n THR 25 N 6.38 4.80 -2.39 0.44 -2.24 -1.26 -4.81 114.28 115.20 1ozo n THR 25 Ca 0.00 -5.47 -0.05 0.00 -2.27 0.00 0.00 64.05 56.26 1ozo n THR 25 Cb 0.00 -2.39 -0.01 0.00 -2.10 0.00 0.00 70.33 65.83 1ozo n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ozo n GLN 26 N 2.53 -2.37 -2.35 -0.78 10.64 -1.26 -4.99 117.38 118.79 1ozo n GLN 26 Ca 0.27 0.02 -0.25 0.00 -1.83 0.00 0.00 57.00 55.20 1ozo n GLN 26 Cb 0.37 -3.69 0.05 0.00 -0.86 0.00 0.00 30.24 26.11 1ozo n GLN 26 CO 0.00 0.00 0.00 0.95 -1.83 0.00 0.00 177.06 176.18 1ozo s THR 27 N -1.80 2.80 -0.58 -0.39 -4.23 -1.26 -4.54 115.64 105.65 1ozo s THR 27 Ca 0.10 -0.25 -0.24 0.00 -1.18 0.00 0.00 61.69 60.11 1ozo s THR 27 Cb -0.06 -3.15 0.05 0.00 1.34 0.00 0.00 72.50 70.68 1ozo s THR 27 CO 0.12 -0.15 0.95 -0.76 -0.54 0.00 0.00 174.62 174.24 1ozo s LEU 28 N -5.08 4.14 0.60 4.79 1.02 0.65 -4.21 118.68 120.59 1ozo s LEU 28 Ca 0.57 -0.49 -0.16 0.00 0.02 0.00 0.00 54.13 54.07 1ozo s LEU 28 Cb -0.11 -2.73 -0.03 0.00 0.02 0.00 0.00 46.19 43.34 1ozo s LEU 28 CO 0.44 -1.29 1.08 0.28 0.02 0.00 0.00 176.35 176.88 1ozo s THR 29 N 4.02 3.52 0.38 5.49 -1.32 -1.26 -1.07 115.64 125.40 1ozo s THR 29 Ca 0.29 0.76 0.18 0.00 -1.21 0.00 0.00 61.69 61.71 1ozo s THR 29 Cb -0.13 -3.27 0.38 0.00 -1.51 0.00 0.00 72.50 67.96 1ozo s THR 29 CO 0.17 -0.38 1.71 0.50 -2.21 0.00 0.00 174.62 174.41 1ozo h LYS 30 N 0.49 0.34 0.00 7.08 3.64 -1.95 -0.25 116.57 125.93 1ozo h LYS 30 Ca -0.47 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 58.85 1ozo h LYS 30 Cb 1.24 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.97 1ozo h LYS 30 CO 0.56 0.23 -0.16 0.78 -2.27 0.00 0.00 179.45 178.59 1ozo h GLY 31 N 0.35 0.00 0.00 5.01 0.00 -1.93 -3.17 103.07 103.34 1ozo h GLY 31 Ca 0.68 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.93 1ozo h GLY 31 CO -0.42 0.00 -0.47 -2.09 0.00 0.00 0.00 176.54 173.56 1ozo h GLU 32 N 0.00 0.00 -0.88 4.80 4.57 -1.41 -3.39 114.58 118.27 1ozo h GLU 32 Ca -0.00 0.00 0.26 0.00 -1.18 0.00 0.00 59.36 58.44 1ozo h GLU 32 Cb 1.04 0.00 -0.16 0.00 -0.16 0.00 0.00 28.75 29.47 1ozo h GLU 32 CO 0.02 0.68 0.10 -0.11 -1.18 0.00 0.00 179.01 178.52 1ozo n LEU 33 N -4.58 -0.03 -0.35 1.64 0.00 -0.31 -1.42 117.00 111.95 1ozo n LEU 33 Ca -0.15 1.49 0.08 0.00 0.00 0.00 0.00 56.01 57.43 1ozo n LEU 33 Cb 0.43 -0.57 0.25 0.00 0.00 0.00 0.00 43.42 43.53 1ozo n LEU 33 CO 0.20 -1.54 1.20 0.07 0.00 0.00 0.00 177.39 177.33 1ozo h LYS 34 N 0.00 0.86 0.00 1.96 2.10 -1.74 -3.01 116.57 116.74 1ozo h LYS 34 Ca 0.57 -0.05 -0.13 0.00 -2.00 0.00 0.00 60.65 59.04 1ozo h LYS 34 Cb 1.26 -0.19 -0.02 0.00 -0.90 0.00 0.00 32.23 32.37 1ozo h LYS 34 CO -0.80 0.57 -0.60 0.28 -2.00 0.00 0.00 179.45 176.90 1ozo h VAL 35 N 0.89 1.43 -0.65 0.07 2.07 -1.50 -1.42 116.25 117.14 1ozo h VAL 35 Ca 0.51 -2.06 -0.04 0.00 0.82 0.00 0.00 66.70 65.92 1ozo h VAL 35 Cb 0.59 2.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.44 1ozo h VAL 35 CO -0.30 0.59 0.23 0.25 0.02 0.00 0.00 177.57 178.36 1ozo h LEU 36 N 0.00 0.90 -0.84 2.57 5.85 -1.67 -3.35 115.31 118.77 1ozo h LEU 36 Ca -0.01 -0.14 -0.09 0.00 0.84 0.00 0.00 57.88 58.49 1ozo h LEU 36 Cb 1.06 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1ozo h LEU 36 CO 0.08 0.82 -0.07 0.24 -0.34 0.00 0.00 178.44 179.17 1ozo h MET 37 N 0.95 0.79 -0.70 1.25 2.86 -1.19 0.82 114.93 119.70 1ozo h MET 37 Ca 0.22 -0.24 0.20 0.00 -2.06 0.00 0.00 59.70 57.82 1ozo h MET 37 Cb 0.23 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.79 1ozo h MET 37 CO -0.01 0.84 0.51 0.93 1.06 0.00 0.00 176.91 180.23 1ozo h GLU 38 N 0.72 0.00 0.01 1.72 5.08 -1.69 -0.35 114.58 120.07 1ozo h GLU 38 Ca 0.13 -0.00 -0.41 0.00 -1.00 0.00 0.00 59.36 58.08 1ozo h GLU 38 Cb 0.54 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.73 1ozo h GLU 38 CO 0.03 0.00 -2.33 1.63 -1.00 0.00 0.00 179.01 177.34 1ozo n LYS 39 N -4.33 0.62 0.00 2.33 4.76 -0.40 -4.36 118.16 116.78 1ozo n LYS 39 Ca 0.14 0.26 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 1ozo n LYS 39 Cb 0.77 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 1ozo n LYS 39 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1ozo n GLU 40 N -3.90 6.27 -3.09 1.97 -0.58 0.15 -4.59 120.64 116.86 1ozo n GLU 40 Ca -0.48 -0.03 -0.19 0.00 -0.42 0.00 0.00 57.16 56.04 1ozo n GLU 40 Cb 0.91 -0.52 -0.03 0.00 -0.57 0.00 0.00 31.44 31.24 1ozo n GLU 40 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1ozo n LEU 41 N -0.90 1.56 -4.39 -4.62 4.32 -0.21 -5.00 117.00 107.76 1ozo n LEU 41 Ca 0.00 -5.02 -0.32 0.00 -0.02 0.00 0.00 56.01 50.65 1ozo n LEU 41 Cb 0.00 0.46 0.16 0.00 -1.62 0.00 0.00 43.42 42.43 1ozo n LEU 41 CO 0.00 2.24 -0.13 -0.81 -1.22 0.00 0.00 177.39 177.46 1ozo n PRO 42 N 0.15 -1.13 0.00 3.23 -0.04 -0.78 -3.09 135.00 133.34 1ozo n PRO 42 Ca 0.25 -0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1ozo n PRO 42 Cb 0.63 -1.88 0.00 0.00 -0.04 0.00 0.00 33.50 32.21 1ozo n PRO 42 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ozo n GLY 43 N 1.55 1.04 0.31 0.55 0.00 -1.26 -4.51 105.19 102.88 1ozo n GLY 43 Ca 0.04 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.21 1ozo n GLY 43 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1ozo h PHE 44 N 0.00 0.00 0.00 1.61 -1.00 -1.83 0.20 116.94 115.93 1ozo h PHE 44 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1ozo h PHE 44 Cb 0.00 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 1ozo h PHE 44 CO 0.00 0.00 0.02 1.28 -1.61 0.00 0.00 178.31 178.00 1ozo n LEU 45 N -3.92 0.00 -0.03 1.54 7.99 -1.25 -1.41 117.00 119.92 1ozo n LEU 45 Ca -0.01 0.12 0.22 0.00 -0.01 0.00 0.00 56.01 56.34 1ozo n LEU 45 Cb 0.20 -0.12 0.71 0.00 -0.11 0.00 0.00 43.42 44.10 1ozo n LEU 45 CO 0.28 -0.12 1.20 0.06 -1.51 0.00 0.00 177.39 177.30 1ozo h GLN 46 N 0.00 0.00 0.09 3.23 3.07 -1.33 -2.23 115.11 117.95 1ozo h GLN 46 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 58.65 58.38 1ozo h GLN 46 Cb 0.03 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.56 1ozo h GLN 46 CO 0.00 0.00 -2.04 0.43 0.09 0.00 0.00 178.83 177.31 1ozo n SER 47 N -4.22 1.93 0.00 0.06 7.64 -0.50 -5.02 113.62 113.51 1ozo n SER 47 Ca 0.12 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1ozo n SER 47 Cb 0.70 -0.68 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 1ozo n SER 47 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ozo n GLY 48 N 1.98 1.32 3.38 0.23 0.00 -0.84 -4.01 105.19 107.25 1ozo n GLY 48 Ca -0.32 0.43 -0.06 0.00 0.00 0.00 0.00 46.02 46.07 1ozo n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ozo s LYS 49 N 0.00 0.42 0.00 1.61 0.00 -1.26 -4.49 119.74 116.02 1ozo s LYS 49 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 55.97 57.13 1ozo s LYS 49 Cb 0.00 0.49 0.00 0.00 0.00 0.00 0.00 37.83 38.32 1ozo s LYS 49 CO 0.00 -0.26 0.44 -0.40 0.00 0.00 0.00 175.35 175.13 1ozo n ASP 50 N 5.41 0.00 0.00 0.03 5.68 -1.26 -5.00 116.55 121.41 1ozo n ASP 50 Ca -0.09 -1.03 0.00 0.00 -0.50 0.00 0.00 54.79 53.17 1ozo n ASP 50 Cb 0.49 -0.01 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 1ozo n ASP 50 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 1ozo n LYS 51 N 0.00 -1.40 -0.00 0.11 -0.00 -1.26 -4.76 118.16 110.85 1ozo n LYS 51 Ca 0.00 0.24 0.08 0.00 -0.00 0.00 0.00 58.31 58.63 1ozo n LYS 51 Cb 0.51 -3.99 -0.11 0.00 -0.00 0.00 0.00 35.03 31.44 1ozo n LYS 51 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1ozo n ASP 52 N 0.16 1.19 -3.24 -5.58 8.00 -1.26 -4.62 116.55 111.19 1ozo n ASP 52 Ca 0.00 -0.30 -0.19 0.00 0.71 0.00 0.00 54.79 55.02 1ozo n ASP 52 Cb 0.24 1.47 -0.05 0.00 -0.02 0.00 0.00 41.12 42.75 1ozo n ASP 52 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ozo n ALA 53 N -1.80 0.44 0.00 2.24 0.00 -1.26 -4.49 120.51 115.63 1ozo n ALA 53 Ca -0.01 -1.55 0.00 0.00 0.00 0.00 0.00 53.44 51.88 1ozo n ALA 53 Cb 0.35 1.05 0.00 0.00 0.00 0.00 0.00 19.45 20.85 1ozo n ALA 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ozo n VAL 54 N -0.68 0.00 -0.13 0.00 0.31 -1.26 -4.09 118.33 112.48 1ozo n VAL 54 Ca -0.04 0.00 0.14 0.00 -0.01 0.00 0.00 64.34 64.43 1ozo n VAL 54 Cb 0.46 0.00 0.50 0.00 -0.91 0.00 0.00 33.84 33.89 1ozo n VAL 54 CO 0.00 0.00 0.00 -0.78 -1.32 0.00 0.00 176.83 174.73 1ozo h ASP 55 N 0.00 0.38 0.37 4.52 3.58 -1.90 -2.33 116.42 121.04 1ozo h ASP 55 Ca 0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1ozo h ASP 55 Cb 0.00 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 40.99 1ozo h ASP 55 CO 0.00 0.21 -1.04 0.29 -2.88 0.00 0.00 179.24 175.83 1ozo n LYS 56 N -4.47 0.26 0.00 0.28 4.76 -1.26 -0.23 118.16 117.50 1ozo n LYS 56 Ca 0.12 -0.01 0.13 0.00 -2.87 0.00 0.00 58.31 55.68 1ozo n LYS 56 Cb 0.45 -1.58 0.74 0.00 -1.84 0.00 0.00 35.03 32.81 1ozo n LYS 56 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1ozo n LEU 57 N -1.90 0.00 0.00 -0.35 7.99 -0.92 -3.67 117.00 118.16 1ozo n LEU 57 Ca 0.02 0.08 -0.02 0.00 -0.01 0.00 0.00 56.01 56.08 1ozo n LEU 57 Cb 0.43 -0.08 -0.01 0.00 -0.11 0.00 0.00 43.42 43.65 1ozo n LEU 57 CO 0.40 -0.01 -0.15 -0.11 -1.51 0.00 0.00 177.39 176.01 1ozo n LEU 58 N -1.08 0.96 -0.20 2.23 7.94 -0.95 -4.84 117.00 121.04 1ozo n LEU 58 Ca 0.17 0.14 0.30 0.00 -1.11 0.00 0.00 56.01 55.51 1ozo n LEU 58 Cb 0.12 -0.37 0.73 0.00 0.53 0.00 0.00 43.42 44.43 1ozo n LEU 58 CO 0.16 -0.57 1.28 0.11 -1.11 0.00 0.00 177.39 177.25 1ozo h LYS 59 N -0.22 0.00 0.00 1.96 1.79 -0.74 0.94 116.57 120.30 1ozo h LYS 59 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1ozo h LYS 59 Cb 0.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1ozo h LYS 59 CO 0.00 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 178.12 1ozo n ASP 60 N -4.21 0.09 0.00 0.86 9.92 -1.24 -3.94 116.55 118.03 1ozo n ASP 60 Ca 0.20 0.52 0.00 0.00 -0.53 0.00 0.00 54.79 54.98 1ozo n ASP 60 Cb 1.03 -0.54 0.00 0.00 -0.64 0.00 0.00 41.12 40.97 1ozo n ASP 60 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ozo n LEU 61 N -1.59 0.00 0.13 0.64 -0.00 -0.03 -4.69 117.00 111.46 1ozo n LEU 61 Ca 0.04 0.00 0.01 0.00 -0.00 0.00 0.00 56.01 56.07 1ozo n LEU 61 Cb 0.23 0.00 0.07 0.00 -0.00 0.00 0.00 43.42 43.71 1ozo n LEU 61 CO 0.18 0.00 0.71 -0.67 -0.00 0.00 0.00 177.39 177.61 1ozo n ASP 62 N -0.88 0.06 -0.41 1.45 -0.08 0.12 -1.05 116.55 115.75 1ozo n ASP 62 Ca 0.00 0.27 0.39 0.00 -1.51 0.00 0.00 54.79 53.94 1ozo n ASP 62 Cb 0.13 -0.10 0.70 0.00 2.34 0.00 0.00 41.12 44.18 1ozo n ASP 62 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ozo h ALA 63 N 0.26 3.30 -0.26 -1.67 0.00 -1.83 0.28 119.26 119.34 1ozo h ALA 63 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1ozo h ALA 63 Cb 1.22 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 1ozo h ALA 63 CO 0.00 -1.87 0.15 -0.97 0.00 0.00 0.00 179.25 176.57 1ozo h ASN 64 N 0.00 0.32 0.00 0.00 -0.73 -1.47 -3.45 115.58 110.25 1ozo h ASN 64 Ca 0.66 -0.06 -0.07 0.00 1.87 0.00 0.00 56.30 58.71 1ozo h ASN 64 Cb 2.95 -0.08 -0.06 0.00 0.27 0.00 0.00 38.32 41.40 1ozo h ASN 64 CO -0.01 0.28 -0.10 0.61 -0.37 0.00 0.00 177.43 177.85 1ozo n GLY 65 N -1.02 0.13 4.86 1.57 0.00 0.80 -5.03 105.19 106.50 1ozo n GLY 65 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1ozo n GLY 65 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ozo n ASP 66 N -0.58 0.00 0.00 1.61 5.68 -0.08 -1.06 116.55 122.12 1ozo n ASP 66 Ca -0.07 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.22 1ozo n ASP 66 Cb 0.64 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.62 1ozo n ASP 66 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ozo n ALA 67 N 0.00 0.26 -3.82 2.12 0.00 -1.26 -5.00 120.51 112.81 1ozo n ALA 67 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 1ozo n ALA 67 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 1ozo n ALA 67 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1ozo s GLN 68 N 0.00 0.96 -0.19 0.00 -0.21 -0.23 -3.48 119.66 116.51 1ozo s GLN 68 Ca 0.00 -1.35 -0.28 0.00 0.02 0.00 0.00 55.36 53.75 1ozo s GLN 68 Cb 0.00 -2.36 -0.00 0.00 1.00 0.00 0.00 33.01 31.65 1ozo s GLN 68 CO 0.00 -0.98 0.98 0.08 -2.12 0.00 0.00 175.29 173.25 1ozo s VAL 69 N 1.36 4.75 0.82 1.09 1.01 -0.23 -4.39 120.40 124.81 1ozo s VAL 69 Ca 0.10 1.92 -0.11 0.00 0.00 0.00 0.00 61.98 63.89 1ozo s VAL 69 Cb -0.18 -4.26 0.08 0.00 0.00 0.00 0.00 36.38 32.02 1ozo s VAL 69 CO -0.19 -0.09 1.10 -1.81 0.00 0.00 0.00 175.10 174.10 1ozo s ASP 70 N 1.19 4.24 0.23 3.32 1.01 -1.26 -0.25 116.67 125.13 1ozo s ASP 70 Ca 0.43 1.35 -0.07 0.00 0.71 0.00 0.00 52.55 54.98 1ozo s ASP 70 Cb -0.16 -2.07 0.31 0.00 1.01 0.00 0.00 42.92 42.00 1ozo s ASP 70 CO 0.10 -2.14 1.81 2.19 0.21 0.00 0.00 175.17 177.34 1ozo h PHE 71 N -1.20 0.77 -0.57 4.23 -5.15 -1.98 -0.92 116.94 112.12 1ozo h PHE 71 Ca -0.48 0.03 0.14 0.00 -0.20 0.00 0.00 57.97 57.46 1ozo h PHE 71 Cb 1.27 -0.24 -0.03 0.00 0.22 0.00 0.00 35.95 37.18 1ozo h PHE 71 CO 0.45 0.35 0.39 1.03 -2.00 0.00 0.00 178.31 178.54 1ozo h SER 72 N 0.75 0.14 0.06 -0.68 0.87 -1.98 -0.23 113.55 112.49 1ozo h SER 72 Ca 0.34 0.01 -0.38 0.00 -1.23 0.00 0.00 61.79 60.53 1ozo h SER 72 Cb 0.25 -0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 62.14 1ozo h SER 72 CO -0.21 0.08 -2.23 -0.62 -0.53 0.00 0.00 176.83 173.32 1ozo n GLU 73 N -4.42 0.70 -0.19 2.24 -0.58 -0.42 -1.55 120.64 116.42 1ozo n GLU 73 Ca 0.10 0.21 -0.00 0.00 -0.42 0.00 0.00 57.16 57.05 1ozo n GLU 73 Cb 0.53 -1.61 0.09 0.00 -0.57 0.00 0.00 31.44 29.87 1ozo n GLU 73 CO 0.00 0.00 0.00 0.35 -0.48 0.00 0.00 177.13 177.00 1ozo h PHE 74 N 0.01 -0.01 -0.18 -0.32 3.57 -1.40 -2.08 116.94 116.54 1ozo h PHE 74 Ca -0.50 0.04 -0.05 0.00 3.53 0.00 0.00 57.97 60.99 1ozo h PHE 74 Cb 1.96 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 40.78 1ozo h PHE 74 CO 0.05 -0.13 -0.11 0.97 -2.23 0.00 0.00 178.31 176.86 1ozo h ILE 75 N 0.13 1.18 -0.27 1.41 6.09 -0.72 0.19 117.51 125.53 1ozo h ILE 75 Ca 0.30 -0.78 -0.02 0.00 -1.37 0.00 0.00 64.86 62.99 1ozo h ILE 75 Cb 0.47 1.17 -0.01 0.00 0.47 0.00 0.00 36.82 38.92 1ozo h ILE 75 CO -0.48 0.25 0.08 0.58 -3.07 0.00 0.00 178.15 175.51 1ozo h VAL 76 N 0.27 1.20 -0.30 2.19 2.07 -1.11 -1.93 116.25 118.64 1ozo h VAL 76 Ca 0.06 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 66.97 1ozo h VAL 76 Cb 0.37 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1ozo h VAL 76 CO 0.02 0.21 0.16 0.15 0.02 0.00 0.00 177.57 178.12 1ozo h PHE 77 N 0.27 0.29 -0.16 1.57 3.57 -0.63 -2.13 116.94 119.72 1ozo h PHE 77 Ca 0.09 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 1ozo h PHE 77 Cb 0.24 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 1ozo h PHE 77 CO 0.00 0.16 0.08 0.28 -2.23 0.00 0.00 178.31 176.61 1ozo h VAL 78 N 0.33 1.05 0.00 1.41 2.07 -0.63 0.32 116.25 120.80 1ozo h VAL 78 Ca 0.12 -0.14 0.00 0.00 0.82 0.00 0.00 66.70 67.50 1ozo h VAL 78 Cb 0.03 0.85 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1ozo h VAL 78 CO -0.07 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.57 1ozo n ALA 79 N -2.51 2.36 -0.06 1.67 0.00 -0.73 -0.70 120.51 120.54 1ozo n ALA 79 Ca -0.01 -0.14 -0.22 0.00 0.00 0.00 0.00 53.44 53.07 1ozo n ALA 79 Cb 0.10 -1.41 -0.13 0.00 0.00 0.00 0.00 19.45 18.01 1ozo n ALA 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ozo n ALA 80 N -1.13 0.83 -0.30 0.00 0.00 0.88 -4.61 120.51 116.17 1ozo n ALA 80 Ca 0.16 -0.53 0.09 0.00 0.00 0.00 0.00 53.44 53.16 1ozo n ALA 80 Cb 0.14 -0.61 0.31 0.00 0.00 0.00 0.00 19.45 19.29 1ozo n ALA 80 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1ozo h ILE 81 N -0.56 0.90 -1.78 0.00 1.08 -0.13 0.17 117.51 117.19 1ozo h ILE 81 Ca -0.39 -0.29 0.53 0.00 -0.39 0.00 0.00 64.86 64.33 1ozo h ILE 81 Cb 1.61 -0.01 -0.09 0.00 -3.07 0.00 0.00 36.82 35.27 1ozo h ILE 81 CO -0.09 0.15 1.27 1.07 -0.69 0.00 0.00 178.15 179.86 1ozo n THR 82 N -4.57 -0.04 -0.11 -0.27 5.66 0.12 -0.52 114.28 114.55 1ozo n THR 82 Ca 0.17 1.46 -0.22 0.00 -3.05 0.00 0.00 64.05 62.41 1ozo n THR 82 Cb 0.38 -2.43 -0.09 0.00 -1.55 0.00 0.00 70.33 66.64 1ozo n THR 82 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1ozo n SER 83 N -3.95 1.78 0.00 1.09 3.41 0.35 -4.76 113.62 111.53 1ozo n SER 83 Ca 0.42 0.19 0.10 0.00 -0.26 0.00 0.00 58.87 59.31 1ozo n SER 83 Cb 1.85 -0.59 0.48 0.00 -0.26 0.00 0.00 64.21 65.69 1ozo n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ozo n ALA 84 N -3.82 2.02 0.07 7.33 0.00 0.21 -3.29 120.51 123.04 1ozo n ALA 84 Ca -0.43 -0.09 0.03 0.00 0.00 0.00 0.00 53.44 52.95 1ozo n ALA 84 Cb 0.84 -1.33 0.17 0.00 0.00 0.00 0.00 19.45 19.13 1ozo n ALA 84 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ozo n SER 85 N -1.35 0.16 0.03 0.00 7.64 0.32 -2.24 113.62 118.19 1ozo n SER 85 Ca 0.08 0.44 0.02 0.00 1.01 0.00 0.00 58.87 60.42 1ozo n SER 85 Cb 0.18 -0.43 0.11 0.00 -1.01 0.00 0.00 64.21 63.06 1ozo n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ozo n HIS 86 N -1.66 0.14 0.28 1.43 1.44 -1.21 -2.64 115.22 113.00 1ozo n HIS 86 Ca -0.00 0.07 0.16 0.00 -2.01 0.00 0.00 57.72 55.94 1ozo n HIS 86 Cb 0.22 -0.57 0.80 0.00 0.12 0.00 0.00 29.99 30.56 1ozo n HIS 86 CO 0.00 0.00 0.00 -0.22 -2.81 0.00 0.00 176.34 173.31 1ozo h LYS 87 N 0.00 0.00 0.00 -1.40 1.63 -1.60 0.62 116.57 115.82 1ozo h LYS 87 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1ozo h LYS 87 Cb 0.11 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.74 1ozo h LYS 87 CO 0.00 0.00 0.00 0.66 -3.45 0.00 0.00 179.45 176.66 1ozo n TYR 88 N -3.10 0.00 0.29 1.91 4.02 -1.08 -2.40 117.16 116.80 1ozo n TYR 88 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1ozo n TYR 88 Cb 0.44 -0.42 0.00 0.00 -0.02 0.00 0.00 39.34 39.33 1ozo n TYR 88 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1ozo n PHE 89 N -2.09 0.00 0.00 -0.72 7.35 -0.23 -4.68 117.46 117.09 1ozo n PHE 89 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1ozo n PHE 89 Cb 0.00 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 39.81 1ozo n PHE 89 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1ozo n GLU 90 N 0.17 0.00 0.00 -4.13 2.13 -1.01 -4.55 120.64 113.26 1ozo n GLU 90 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1ozo n GLU 90 Cb 0.05 -0.44 0.00 0.00 0.27 0.00 0.00 31.44 31.32 1ozo n GLU 90 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1ozo n LYS 91 N 0.00 0.60 0.00 5.31 0.00 -0.86 -4.11 118.16 119.11 1ozo n LYS 91 Ca 0.00 -0.08 0.00 0.00 -0.00 0.00 0.00 58.31 58.23 1ozo n LYS 91 Cb 0.00 -0.42 0.00 0.00 -0.00 0.00 0.00 35.03 34.61 1ozo n LYS 91 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1ozo n THR 92 N -0.11 0.00 0.00 0.58 5.66 0.15 -4.78 114.28 115.79 1ozo n THR 92 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1ozo n THR 92 Cb 0.11 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.89 1ozo n THR 92 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1ozo n GLY 93 N 0.00 2.24 2.76 1.09 0.00 -1.26 -1.07 105.19 108.95 1ozo n GLY 93 Ca 0.00 -0.54 -0.04 0.00 0.00 0.00 0.00 46.02 45.45 1ozo n GLY 93 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1ozo n LEU 94 N 0.00 1.60 0.00 0.99 7.94 -1.26 -4.88 117.00 121.38 1ozo n LEU 94 Ca 0.00 -3.29 0.00 0.00 -1.11 0.00 0.00 56.01 51.61 1ozo n LEU 94 Cb 0.00 0.44 0.00 0.00 0.53 0.00 0.00 43.42 44.39 1ozo n LEU 94 CO 0.00 1.23 0.00 1.17 -1.11 0.00 0.00 177.39 178.68