#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 -0.16 1.12 -2.24 -1.26 -4.91 114.28 106.83 1ozo n THR 2 Ca 0.00 -0.73 -0.04 0.00 -2.27 0.00 0.00 64.05 61.01 1ozo n THR 2 Cb 0.00 0.55 0.05 0.00 -2.10 0.00 0.00 70.33 68.83 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 0.39 -0.08 -0.78 4.81 -2.05 0.35 114.58 117.22 1ozo h GLU 3 Ca -0.16 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 58.96 1ozo h GLU 3 Cb 0.64 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.93 1ozo h GLU 3 CO 0.21 0.26 -0.27 1.37 -0.73 0.00 0.00 179.01 179.85 1ozo h LEU 4 N 0.41 0.38 -0.62 1.64 8.10 -2.00 -2.94 115.31 120.27 1ozo h LEU 4 Ca 0.22 -0.62 0.00 0.00 0.11 0.00 0.00 57.88 57.59 1ozo h LEU 4 Cb 0.19 -0.11 0.00 0.00 -0.44 0.00 0.00 40.66 40.30 1ozo h LEU 4 CO -0.20 0.93 0.00 -0.33 -4.11 0.00 0.00 178.44 174.74 1ozo h GLU 5 N -0.16 0.00 0.00 0.17 5.08 -1.90 -2.15 114.58 115.63 1ozo h GLU 5 Ca -0.01 0.00 -0.21 0.00 -1.00 0.00 0.00 59.36 58.13 1ozo h GLU 5 Cb 0.91 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 1ozo h GLU 5 CO 0.06 0.00 -1.17 0.00 -1.00 0.00 0.00 179.01 176.90 1ozo h ALA 6 N 2.25 0.55 -0.49 3.43 0.00 -0.35 0.51 119.26 125.16 1ozo h ALA 6 Ca 0.00 -1.00 -0.03 0.00 0.00 0.00 0.00 54.91 53.88 1ozo h ALA 6 Cb 0.54 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1ozo h ALA 6 CO 0.00 1.22 0.17 0.00 0.00 0.00 0.00 179.25 180.65 1ozo h ALA 7 N 1.11 0.64 -0.36 0.00 0.00 -1.29 0.78 119.26 120.14 1ozo h ALA 7 Ca -0.10 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 1ozo h ALA 7 Cb 1.77 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 1ozo h ALA 7 CO 0.10 0.27 0.07 0.52 0.00 0.00 0.00 179.25 180.21 1ozo h MET 8 N 0.66 0.53 -0.92 0.00 2.07 -1.42 -1.02 114.93 114.83 1ozo h MET 8 Ca 0.16 -0.09 0.23 0.00 -2.07 0.00 0.00 59.70 57.93 1ozo h MET 8 Cb 0.23 -0.09 -0.17 0.00 -1.87 0.00 0.00 31.60 29.71 1ozo h MET 8 CO -0.01 0.51 -0.02 0.78 1.07 0.00 0.00 176.91 179.24 1ozo h GLY 9 N 0.77 1.05 2.00 8.32 0.00 0.84 0.23 103.07 116.29 1ozo h GLY 9 Ca 0.12 0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.55 1ozo h GLY 9 CO -0.00 -0.43 -0.33 -0.33 0.00 0.00 0.00 176.54 175.45 1ozo h MET 10 N 0.04 0.00 0.03 4.80 2.86 0.50 0.57 114.93 123.73 1ozo h MET 10 Ca 0.53 0.00 -0.07 0.00 -2.06 0.00 0.00 59.70 58.10 1ozo h MET 10 Cb 1.01 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.68 1ozo h MET 10 CO -0.86 0.33 -0.27 0.82 1.06 0.00 0.00 176.91 177.99 1ozo h ILE 11 N 0.00 1.63 -0.48 -1.22 2.04 -0.85 0.14 117.51 118.77 1ozo h ILE 11 Ca -0.00 -2.20 0.14 0.00 1.00 0.00 0.00 64.86 63.80 1ozo h ILE 11 Cb 0.76 3.07 -0.02 0.00 -0.74 0.00 0.00 36.82 39.89 1ozo h ILE 11 CO 0.04 0.59 0.40 0.40 0.00 0.00 0.00 178.15 179.59 1ozo h ILE 12 N -0.65 0.57 0.18 -0.67 1.08 -0.60 -0.81 117.51 116.62 1ozo h ILE 12 Ca -0.04 0.00 -0.30 0.00 -0.39 0.00 0.00 64.86 64.13 1ozo h ILE 12 Cb 1.13 0.70 0.03 0.00 -3.07 0.00 0.00 36.82 35.61 1ozo h ILE 12 CO 0.05 0.00 -1.27 -0.78 -0.69 0.00 0.00 178.15 175.46 1ozo h ASP 13 N 0.00 0.81 -0.87 1.72 3.58 0.41 0.12 116.42 122.20 1ozo h ASP 13 Ca 0.23 -0.88 0.09 0.00 0.42 0.00 0.00 57.03 56.90 1ozo h ASP 13 Cb 1.03 -0.26 -0.06 0.00 1.72 0.00 0.00 39.33 41.76 1ozo h ASP 13 CO -0.00 1.62 0.56 1.62 -2.88 0.00 0.00 179.24 180.16 1ozo h VAL 14 N 0.13 0.97 0.00 2.25 3.04 -0.22 0.61 116.25 123.03 1ozo h VAL 14 Ca -0.21 -0.30 0.00 0.00 -1.01 0.00 0.00 66.70 65.18 1ozo h VAL 14 Cb 1.97 0.03 0.00 0.00 -2.01 0.00 0.00 31.29 31.28 1ozo h VAL 14 CO 0.24 0.16 0.00 0.33 -1.01 0.00 0.00 177.57 177.29 1ozo n PHE 15 N -4.52 0.74 0.98 3.17 -0.00 -0.35 -1.87 117.46 115.61 1ozo n PHE 15 Ca 0.15 0.27 0.10 0.00 -0.00 0.00 0.00 57.45 57.97 1ozo n PHE 15 Cb 0.30 -0.93 -0.08 0.00 -0.00 0.00 0.00 39.48 38.77 1ozo n PHE 15 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.76 177.19 1ozo n SER 16 N -2.15 1.34 0.02 -2.13 7.64 0.83 -2.16 113.62 117.01 1ozo n SER 16 Ca 0.03 -1.17 -0.02 0.00 1.01 0.00 0.00 58.87 58.72 1ozo n SER 16 Cb 0.27 0.82 -0.01 0.00 -1.01 0.00 0.00 64.21 64.28 1ozo n SER 16 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1ozo h ARG 17 N 0.85 -0.12 0.00 1.43 2.47 0.28 -3.32 114.38 115.97 1ozo h ARG 17 Ca 0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1ozo h ARG 17 Cb 0.58 0.03 0.00 0.00 -1.65 0.00 0.00 29.97 28.92 1ozo h ARG 17 CO 0.00 -0.08 -0.12 1.88 0.56 0.00 0.00 179.97 182.21 1ozo h TYR 18 N -0.63 0.00 0.00 3.04 0.05 -1.55 -3.22 116.97 114.66 1ozo h TYR 18 Ca -0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.77 1ozo h TYR 18 Cb 0.09 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.83 1ozo h TYR 18 CO 0.01 0.00 0.03 -1.13 -1.05 0.00 0.00 178.16 176.02 1ozo n SER 19 N -2.92 0.00 0.00 3.88 3.41 -1.23 -4.86 113.62 111.90 1ozo n SER 19 Ca -0.02 0.38 0.00 0.00 -0.26 0.00 0.00 58.87 58.97 1ozo n SER 19 Cb 0.06 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 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 -1.37 0.91 0.00 5.00 0.00 -0.92 -2.73 105.19 106.07 1ozo n GLY 20 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1ozo n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1ozo n SER 21 N 0.00 0.00 -3.21 1.61 7.64 -1.01 -4.74 113.62 113.91 1ozo n SER 21 Ca 0.00 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.75 1ozo n SER 21 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 1ozo n SER 21 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1ozo s GLU 22 N 0.00 1.97 0.00 1.43 8.01 -1.11 -4.81 118.70 124.19 1ozo s GLU 22 Ca 0.00 -1.67 0.00 0.00 0.01 0.00 0.00 54.97 53.31 1ozo s GLU 22 Cb 0.00 0.48 0.00 0.00 -4.31 0.00 0.00 34.13 30.30 1ozo s GLU 22 CO 0.00 -0.84 0.00 0.41 0.01 0.00 0.00 175.26 174.84 1ozo n GLY 23 N -0.55 1.25 0.98 -1.39 0.00 -0.13 -4.83 105.19 100.52 1ozo n GLY 23 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1ozo n GLY 23 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1ozo n SER 24 N 0.00 -0.12 -0.04 1.61 2.88 -1.26 -4.18 113.62 112.51 1ozo n SER 24 Ca 0.00 0.06 -0.07 0.00 -1.33 0.00 0.00 58.87 57.52 1ozo n SER 24 Cb 0.00 -0.45 0.10 0.00 -0.75 0.00 0.00 64.21 63.11 1ozo n SER 24 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1ozo h THR 25 N 0.00 1.28 -2.48 2.46 1.35 -1.98 -3.44 112.91 110.11 1ozo h THR 25 Ca 0.00 -1.45 -0.59 0.00 -0.55 0.00 0.00 66.41 63.81 1ozo h THR 25 Cb 0.12 1.40 -0.40 0.00 -1.73 0.00 0.00 68.15 67.54 1ozo h THR 25 CO 0.00 0.47 -0.86 0.00 -0.25 0.00 0.00 175.52 174.88 1ozo n GLN 26 N -4.07 0.93 -0.79 4.72 6.02 -1.26 -4.68 117.38 118.25 1ozo n GLN 26 Ca -0.01 -3.67 -0.26 0.00 -0.01 0.00 0.00 57.00 53.05 1ozo n GLN 26 Cb 0.48 -1.81 0.01 0.00 1.02 0.00 0.00 30.24 29.94 1ozo n GLN 26 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1ozo n THR 27 N 2.18 0.00 -1.40 5.09 -2.24 -1.26 -0.96 114.28 115.70 1ozo n THR 27 Ca 0.26 -0.34 -0.40 0.00 -2.27 0.00 0.00 64.05 61.30 1ozo n THR 27 Cb 0.45 0.00 -0.02 0.00 -2.10 0.00 0.00 70.33 68.65 1ozo n THR 27 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1ozo n LEU 28 N 1.97 6.11 -4.56 3.22 4.32 -0.47 -4.75 117.00 122.84 1ozo n LEU 28 Ca 0.03 -3.67 -0.40 0.00 -0.02 0.00 0.00 56.01 51.95 1ozo n LEU 28 Cb 0.34 -1.43 0.03 0.00 -1.62 0.00 0.00 43.42 40.75 1ozo n LEU 28 CO 0.37 0.76 0.40 1.07 -1.22 0.00 0.00 177.39 178.77 1ozo n THR 29 N 5.07 2.67 -0.24 -5.08 5.66 -1.26 -3.12 114.28 117.97 1ozo n THR 29 Ca 0.54 -0.50 0.24 0.00 -3.05 0.00 0.00 64.05 61.28 1ozo n THR 29 Cb 0.35 -0.98 0.43 0.00 -1.55 0.00 0.00 70.33 68.58 1ozo n THR 29 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 1ozo n LYS 30 N -0.16 -0.05 0.11 1.09 4.81 -1.26 -0.50 118.16 122.20 1ozo n LYS 30 Ca 0.11 1.04 -0.01 0.00 -0.87 0.00 0.00 58.31 58.58 1ozo n LYS 30 Cb 0.43 -1.87 -0.02 0.00 0.02 0.00 0.00 35.03 33.60 1ozo n LYS 30 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 1ozo h GLY 31 N 0.00 0.00 0.15 3.14 0.00 -1.96 -3.10 103.07 101.31 1ozo h GLY 31 Ca 0.63 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.96 1ozo h GLY 31 CO -0.59 0.00 -0.04 -2.09 0.00 0.00 0.00 176.54 173.82 1ozo h GLU 32 N 0.00 -0.11 -0.98 4.80 4.57 -1.09 -3.39 114.58 118.38 1ozo h GLU 32 Ca -0.01 0.01 0.34 0.00 -1.18 0.00 0.00 59.36 58.52 1ozo h GLU 32 Cb 1.51 0.02 -0.17 0.00 -0.16 0.00 0.00 28.75 29.96 1ozo h GLU 32 CO 0.09 0.33 0.38 1.25 -1.18 0.00 0.00 179.01 179.88 1ozo h LEU 33 N -0.96 0.12 -1.46 1.64 6.46 -0.98 -1.76 115.31 118.38 1ozo h LEU 33 Ca -0.01 0.24 0.03 0.00 -0.12 0.00 0.00 57.88 58.02 1ozo h LEU 33 Cb 0.49 0.30 -0.03 0.00 -0.73 0.00 0.00 40.66 40.68 1ozo h LEU 33 CO 0.02 -0.33 0.39 0.07 -0.62 0.00 0.00 178.44 177.97 1ozo h LYS 34 N 0.09 0.70 0.00 1.25 2.10 -1.74 -2.89 116.57 116.08 1ozo h LYS 34 Ca 0.73 -0.04 0.00 0.00 -2.00 0.00 0.00 60.65 59.34 1ozo h LYS 34 Cb 1.76 -0.16 0.00 0.00 -0.90 0.00 0.00 32.23 32.93 1ozo h LYS 34 CO -0.76 0.46 0.00 0.28 -2.00 0.00 0.00 179.45 177.43 1ozo n VAL 35 N -4.46 0.64 0.13 0.07 0.31 -0.66 -1.49 118.33 112.87 1ozo n VAL 35 Ca 0.07 -0.23 0.03 0.00 -0.01 0.00 0.00 64.34 64.20 1ozo n VAL 35 Cb 0.12 -0.66 0.02 0.00 -0.91 0.00 0.00 33.84 32.41 1ozo n VAL 35 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1ozo h LEU 36 N 0.00 0.00 0.01 7.52 5.85 -1.66 -3.43 115.31 123.61 1ozo h LEU 36 Ca 0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ozo h LEU 36 Cb 0.70 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.73 1ozo h LEU 36 CO 0.00 0.44 -0.01 0.24 -0.34 0.00 0.00 178.44 178.78 1ozo h MET 37 N 0.00 -0.02 0.00 1.25 2.86 -1.15 0.34 114.93 118.22 1ozo h MET 37 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 1ozo h MET 37 Cb 1.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.02 1ozo h MET 37 CO 0.05 0.69 0.00 0.39 1.06 0.00 0.00 176.91 179.10 1ozo n GLU 38 N -4.68 0.12 0.03 1.72 1.02 -1.24 -0.99 120.64 116.62 1ozo n GLU 38 Ca -0.07 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1ozo n GLU 38 Cb 0.34 -1.34 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 1ozo n GLU 38 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1ozo n LYS 39 N -0.84 0.00 0.00 3.49 3.00 -1.24 -4.78 118.16 117.79 1ozo n LYS 39 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.33 1ozo n LYS 39 Cb 0.01 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.04 1ozo n LYS 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1ozo n GLU 40 N -2.70 -0.60 -0.71 1.64 -0.58 0.12 -4.76 120.64 113.04 1ozo n GLU 40 Ca 0.00 -0.40 0.06 0.00 -0.42 0.00 0.00 57.16 56.40 1ozo n GLU 40 Cb 0.00 -0.90 0.16 0.00 -0.57 0.00 0.00 31.44 30.13 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 -0.03 2.22 0.10 -4.62 4.32 -0.16 -4.98 117.00 113.84 1ozo n LEU 41 Ca 0.00 -3.31 0.00 0.00 -0.02 0.00 0.00 56.01 52.68 1ozo n LEU 41 Cb 0.04 -0.39 0.00 0.00 -1.62 0.00 0.00 43.42 41.45 1ozo n LEU 41 CO 0.00 1.10 0.51 -2.65 -1.22 0.00 0.00 177.39 175.12 1ozo n PRO 42 N -0.79 0.01 0.00 3.23 -0.02 -1.11 -1.23 135.00 135.09 1ozo n PRO 42 Ca 0.15 0.29 0.10 0.00 -2.02 0.00 0.00 63.50 62.03 1ozo n PRO 42 Cb 0.78 -1.59 -0.05 0.00 -0.02 0.00 0.00 33.50 32.62 1ozo n PRO 42 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ozo n GLY 43 N -0.93 -1.05 0.16 -1.23 0.00 -1.26 -3.97 105.19 96.91 1ozo n GLY 43 Ca 0.00 -0.54 0.13 0.00 0.00 0.00 0.00 46.02 45.61 1ozo n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ozo n PHE 44 N -1.53 0.00 1.77 1.61 3.01 -0.37 -4.15 117.46 117.79 1ozo n PHE 44 Ca 0.04 0.00 0.10 0.00 1.01 0.00 0.00 57.45 58.60 1ozo n PHE 44 Cb 0.34 -0.18 0.54 0.00 -0.01 0.00 0.00 39.48 40.17 1ozo n PHE 44 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 1ozo n LEU 45 N -0.91 0.52 0.24 4.37 7.99 -1.25 -2.71 117.00 125.25 1ozo n LEU 45 Ca 0.12 -0.21 0.09 0.00 -0.01 0.00 0.00 56.01 56.00 1ozo n LEU 45 Cb 0.32 -0.03 0.58 0.00 -0.11 0.00 0.00 43.42 44.18 1ozo n LEU 45 CO 0.26 0.11 0.88 1.56 -1.51 0.00 0.00 177.39 178.69 1ozo h GLN 46 N 0.71 0.00 0.00 3.23 4.20 -1.82 -1.68 115.11 119.75 1ozo h GLN 46 Ca 0.00 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.42 1ozo h GLN 46 Cb 0.15 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.89 1ozo h GLN 46 CO 0.00 0.20 -1.67 0.77 -0.67 0.00 0.00 178.83 177.46 1ozo h SER 47 N 0.00 0.01 0.00 1.46 0.02 -1.81 -3.49 113.55 109.74 1ozo h SER 47 Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1ozo h SER 47 Cb 0.48 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.01 1ozo h SER 47 CO 0.03 1.02 0.00 0.61 -1.14 0.00 0.00 176.83 177.35 1ozo n GLY 48 N 1.55 1.46 0.78 -3.77 0.00 -0.63 -3.97 105.19 100.61 1ozo n GLY 48 Ca -0.16 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1ozo n GLY 48 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1ozo n LYS 49 N 0.00 0.00 -2.32 1.61 0.00 -1.26 -4.83 118.16 111.35 1ozo n LYS 49 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1ozo n LYS 49 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1ozo n LYS 49 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1ozo n ASP 50 N -1.58 0.00 0.00 -5.58 2.03 -1.25 -0.74 116.55 109.43 1ozo n ASP 50 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ozo n ASP 50 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1ozo n ASP 50 CO 0.00 0.00 0.00 2.29 -1.92 0.00 0.00 177.20 177.57 1ozo n LYS 51 N -0.53 0.00 -0.06 -0.67 0.00 -1.26 -4.56 118.16 111.08 1ozo n LYS 51 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 58.31 58.39 1ozo n LYS 51 Cb 0.00 -1.23 0.10 0.00 -0.00 0.00 0.00 35.03 33.91 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 0.00 2.60 -0.84 -5.58 8.00 -0.28 -4.57 116.55 115.88 1ozo n ASP 52 Ca 0.00 -1.76 0.00 0.00 0.71 0.00 0.00 54.79 53.74 1ozo n ASP 52 Cb 0.00 -0.08 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 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 0.94 0.00 0.00 2.24 0.00 0.09 -4.78 120.51 119.00 1ozo n ALA 53 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 1ozo n ALA 53 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 0.00 0.00 -0.33 0.00 0.31 -1.26 -3.99 118.33 113.05 1ozo n VAL 54 Ca 0.00 0.00 0.27 0.00 -0.01 0.00 0.00 64.34 64.60 1ozo n VAL 54 Cb 0.00 0.00 0.57 0.00 -0.91 0.00 0.00 33.84 33.50 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 0.33 0.29 4.52 3.58 -1.88 -1.44 116.42 121.83 1ozo h ASP 55 Ca 0.00 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.52 1ozo h ASP 55 Cb 0.00 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1ozo h ASP 55 CO 0.00 0.04 -0.82 0.29 -2.88 0.00 0.00 179.24 175.87 1ozo n LYS 56 N -4.53 0.07 -0.12 0.28 4.76 -1.26 -0.25 118.16 117.12 1ozo n LYS 56 Ca 0.26 -0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.79 1ozo n LYS 56 Cb 1.00 -1.52 0.31 0.00 -1.84 0.00 0.00 35.03 32.98 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 -1.61 1.94 0.00 -0.35 7.99 -0.63 -3.76 117.00 120.56 1ozo n LEU 57 Ca 0.04 -0.85 0.00 0.00 -0.01 0.00 0.00 56.01 55.19 1ozo n LEU 57 Cb 0.36 -0.16 0.00 0.00 -0.11 0.00 0.00 43.42 43.51 1ozo n LEU 57 CO 0.39 0.43 0.00 -0.11 -1.51 0.00 0.00 177.39 176.59 1ozo n LEU 58 N 0.51 0.00 -0.39 2.23 0.00 -0.65 -4.73 117.00 113.98 1ozo n LEU 58 Ca 0.16 0.00 0.32 0.00 0.00 0.00 0.00 56.01 56.49 1ozo n LEU 58 Cb 0.35 -0.28 0.63 0.00 0.00 0.00 0.00 43.42 44.12 1ozo n LEU 58 CO 0.12 -0.49 1.26 0.11 0.00 0.00 0.00 177.39 178.40 1ozo h LYS 59 N 0.00 0.18 -0.01 1.96 1.79 -0.79 0.21 116.57 119.91 1ozo h LYS 59 Ca 0.00 -0.01 -0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1ozo h LYS 59 Cb 0.00 -0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.61 1ozo h LYS 59 CO 0.00 0.12 0.00 -0.44 -1.08 0.00 0.00 179.45 178.05 1ozo h ASP 60 N 0.18 0.01 0.22 0.86 5.19 -1.82 -3.38 116.42 117.68 1ozo h ASP 60 Ca 0.68 -0.10 -0.34 0.00 -0.62 0.00 0.00 57.03 56.65 1ozo h ASP 60 Cb 2.16 -0.00 -0.04 0.00 0.18 0.00 0.00 39.33 41.63 1ozo h ASP 60 CO -0.25 0.10 -2.02 0.00 -3.12 0.00 0.00 179.24 173.95 1ozo n LEU 61 N -5.04 1.66 -0.11 1.55 -0.00 0.48 -4.27 117.00 111.28 1ozo n LEU 61 Ca -0.07 0.20 0.15 0.00 -0.00 0.00 0.00 56.01 56.29 1ozo n LEU 61 Cb 0.08 -0.38 0.23 0.00 -0.00 0.00 0.00 43.42 43.34 1ozo n LEU 61 CO 0.33 0.65 0.71 -0.67 -0.00 0.00 0.00 177.39 178.41 1ozo n ASP 62 N -3.18 0.00 0.23 1.45 -0.08 0.33 -0.60 116.55 114.69 1ozo n ASP 62 Ca -0.29 0.42 0.07 0.00 -1.51 0.00 0.00 54.79 53.49 1ozo n ASP 62 Cb 1.06 -0.14 0.58 0.00 2.34 0.00 0.00 41.12 44.96 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 0.28 1.89 0.00 -1.67 0.00 -1.75 -1.71 119.26 116.29 1ozo h ALA 63 Ca 0.27 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1ozo h ALA 63 Cb 1.65 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1ozo h ALA 63 CO -0.00 0.09 -0.05 -0.97 0.00 0.00 0.00 179.25 178.31 1ozo h ASN 64 N 0.04 0.00 0.00 0.00 -0.00 -1.19 -3.44 115.58 110.98 1ozo h ASN 64 Ca 0.01 -0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.31 1ozo h ASN 64 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.41 1ozo h ASN 64 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 177.43 178.05 1ozo n GLY 65 N 1.17 0.46 0.08 1.57 0.00 -1.14 -4.93 105.19 102.40 1ozo n GLY 65 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.11 0.00 0.00 1.61 5.68 -0.66 -5.02 116.55 118.05 1ozo n ASP 66 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 1ozo n ASP 66 Cb 0.00 0.01 0.00 0.00 -1.14 0.00 0.00 41.12 39.99 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 -1.54 0.00 -2.08 2.12 0.00 -1.24 -4.78 120.51 112.99 1ozo n ALA 67 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.05 1ozo n ALA 67 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 1ozo n ALA 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ozo n GLN 68 N 0.00 2.47 -1.46 0.00 6.02 -1.26 -4.34 117.38 118.81 1ozo n GLN 68 Ca 0.00 -2.73 -0.45 0.00 -0.01 0.00 0.00 57.00 53.80 1ozo n GLN 68 Cb 0.00 -3.44 -0.11 0.00 1.02 0.00 0.00 30.24 27.71 1ozo n GLN 68 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1ozo n VAL 69 N 6.47 0.02 -1.18 5.09 0.31 -1.18 -4.69 118.33 123.16 1ozo n VAL 69 Ca 0.49 -0.21 -0.29 0.00 -0.01 0.00 0.00 64.34 64.32 1ozo n VAL 69 Cb 0.44 -1.17 0.16 0.00 -0.91 0.00 0.00 33.84 32.36 1ozo n VAL 69 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1ozo s ASP 70 N 8.79 3.04 0.35 4.52 2.15 -1.26 -1.36 116.67 132.91 1ozo s ASP 70 Ca 1.21 1.35 0.06 0.00 0.43 0.00 0.00 52.55 55.60 1ozo s ASP 70 Cb -1.01 -2.03 0.73 0.00 -0.30 0.00 0.00 42.92 40.31 1ozo s ASP 70 CO 0.47 -2.89 1.94 2.19 -0.17 0.00 0.00 175.17 176.71 1ozo h PHE 71 N -1.72 0.81 -0.04 -5.34 -5.15 -1.94 -0.33 116.94 103.22 1ozo h PHE 71 Ca -0.52 0.02 -0.00 0.00 -0.20 0.00 0.00 57.97 57.27 1ozo h PHE 71 Cb 1.31 -0.26 -0.00 0.00 0.22 0.00 0.00 35.95 37.21 1ozo h PHE 71 CO 0.36 0.40 0.02 1.03 -2.00 0.00 0.00 178.31 178.13 1ozo h SER 72 N 0.78 0.05 -0.23 -0.68 0.87 -1.99 0.17 113.55 112.52 1ozo h SER 72 Ca 0.35 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1ozo h SER 72 Cb 0.34 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1ozo h SER 72 CO -0.13 0.12 0.13 -0.33 -0.53 0.00 0.00 176.83 176.10 1ozo h GLU 73 N -0.02 0.32 0.47 2.24 5.08 -1.72 -2.72 114.58 118.24 1ozo h GLU 73 Ca 0.01 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1ozo h GLU 73 Cb 0.08 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1ozo h GLU 73 CO -0.00 0.28 -0.23 0.35 -1.00 0.00 0.00 179.01 178.41 1ozo h PHE 74 N 0.27 -0.61 -0.81 4.33 3.57 -1.00 -2.66 116.94 120.03 1ozo h PHE 74 Ca 0.08 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.72 1ozo h PHE 74 Cb 0.05 0.20 -0.10 0.00 2.79 0.00 0.00 35.95 38.90 1ozo h PHE 74 CO -0.04 -0.37 0.37 0.97 -2.23 0.00 0.00 178.31 177.00 1ozo h ILE 75 N -0.64 0.66 -0.03 1.41 6.09 -0.69 0.37 117.51 124.68 1ozo h ILE 75 Ca -0.06 -0.17 0.01 0.00 -1.37 0.00 0.00 64.86 63.26 1ozo h ILE 75 Cb 0.50 0.11 -0.01 0.00 0.47 0.00 0.00 36.82 37.88 1ozo h ILE 75 CO 0.10 0.09 -0.02 0.58 -3.07 0.00 0.00 178.15 175.83 1ozo h VAL 76 N 0.51 0.93 0.00 2.19 2.07 -1.55 -2.46 116.25 117.93 1ozo h VAL 76 Ca 0.45 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.97 1ozo h VAL 76 Cb 0.69 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1ozo h VAL 76 CO -0.40 0.00 -0.10 -0.26 0.02 0.00 0.00 177.57 176.83 1ozo h PHE 77 N -0.03 0.00 -0.32 1.57 -1.00 -0.88 -2.86 116.94 113.41 1ozo h PHE 77 Ca 0.02 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.82 1ozo h PHE 77 Cb 0.06 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 39.60 1ozo h PHE 77 CO -0.11 0.00 0.16 0.28 -1.61 0.00 0.00 178.31 177.03 1ozo h VAL 78 N 0.00 0.99 0.00 -0.55 2.07 -0.18 0.27 116.25 118.85 1ozo h VAL 78 Ca 0.00 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1ozo h VAL 78 Cb 0.94 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 1ozo h VAL 78 CO 0.00 0.06 0.00 0.00 0.02 0.00 0.00 177.57 177.65 1ozo n ALA 79 N -2.25 1.79 -0.07 1.67 0.00 -0.94 -0.41 120.51 120.30 1ozo n ALA 79 Ca -0.00 -0.04 -0.19 0.00 0.00 0.00 0.00 53.44 53.20 1ozo n ALA 79 Cb 0.08 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.29 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 -0.93 1.20 -0.23 0.00 0.00 0.11 -4.53 120.51 116.12 1ozo n ALA 80 Ca 0.05 -0.88 0.12 0.00 0.00 0.00 0.00 53.44 52.72 1ozo n ALA 80 Cb 0.02 -0.35 0.40 0.00 0.00 0.00 0.00 19.45 19.52 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 0.03 0.86 -0.77 0.00 1.08 0.23 0.16 117.51 119.09 1ozo h ILE 81 Ca -0.51 -0.22 0.13 0.00 -0.39 0.00 0.00 64.86 63.87 1ozo h ILE 81 Cb 1.96 0.16 -0.14 0.00 -3.07 0.00 0.00 36.82 35.74 1ozo h ILE 81 CO -0.01 0.12 -0.35 0.00 -0.69 0.00 0.00 178.15 177.22 1ozo h THR 82 N 0.64 0.10 0.20 -0.27 1.03 -1.26 0.17 112.91 113.53 1ozo h THR 82 Ca 0.41 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.80 1ozo h THR 82 Cb 0.67 0.10 0.00 0.00 -1.07 0.00 0.00 68.15 67.86 1ozo h THR 82 CO -0.17 0.00 -0.10 0.28 -0.01 0.00 0.00 175.52 175.53 1ozo h SER 83 N -0.09 -0.23 0.15 0.00 0.02 -1.60 -3.37 113.55 108.43 1ozo h SER 83 Ca 0.29 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 1ozo h SER 83 Cb 0.57 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 63.17 1ozo h SER 83 CO -0.82 0.30 -0.04 0.00 -1.14 0.00 0.00 176.83 175.13 1ozo h ALA 84 N -0.70 1.37 0.00 3.77 0.00 -0.47 -0.52 119.26 122.72 1ozo h ALA 84 Ca -0.03 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ozo h ALA 84 Cb 0.42 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1ozo h ALA 84 CO 0.05 0.05 0.00 0.45 0.00 0.00 0.00 179.25 179.80 1ozo n SER 85 N -3.67 0.42 0.00 0.00 2.88 0.57 -4.56 113.62 109.25 1ozo n SER 85 Ca -0.03 0.55 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 1ozo n SER 85 Cb 0.14 -0.66 0.00 0.00 -0.75 0.00 0.00 64.21 62.94 1ozo n SER 85 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1ozo n HIS 86 N -1.91 0.00 -0.04 0.66 8.25 -0.20 -4.77 115.22 117.21 1ozo n HIS 86 Ca 0.05 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.51 1ozo n HIS 86 Cb 0.34 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.45 1ozo n HIS 86 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1ozo n LYS 87 N -0.61 0.00 0.00 -0.41 5.02 -1.25 -3.96 118.16 116.95 1ozo n LYS 87 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1ozo n LYS 87 Cb 0.00 -1.64 0.00 0.00 -0.02 0.00 0.00 35.03 33.37 1ozo n LYS 87 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ozo n TYR 88 N -0.60 0.00 0.00 2.13 4.01 -1.24 -5.06 117.16 116.40 1ozo n TYR 88 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1ozo n TYR 88 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1ozo n TYR 88 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 1ozo n PHE 89 N -0.29 0.00 0.25 -0.72 7.35 -1.26 -4.33 117.46 118.46 1ozo n PHE 89 Ca 0.00 0.00 0.09 0.00 -0.76 0.00 0.00 57.45 56.78 1ozo n PHE 89 Cb 0.00 0.00 0.65 0.00 0.35 0.00 0.00 39.48 40.48 1ozo n PHE 89 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 1ozo h GLU 90 N 0.00 0.00 0.00 -4.13 9.09 -1.97 -3.43 114.58 114.14 1ozo h GLU 90 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1ozo h GLU 90 Cb 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.10 1ozo h GLU 90 CO 0.00 0.10 0.00 1.17 0.05 0.00 0.00 179.01 180.33 1ozo n LYS 91 N -4.16 0.00 -0.01 1.06 0.00 -1.26 -5.01 118.16 108.78 1ozo n LYS 91 Ca -0.03 0.00 0.01 0.00 0.00 0.00 0.00 58.31 58.29 1ozo n LYS 91 Cb 0.18 0.00 0.01 0.00 0.00 0.00 0.00 35.03 35.22 1ozo n LYS 91 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1ozo n THR 92 N 0.00 0.41 0.00 3.15 -2.24 -1.25 -3.61 114.28 110.74 1ozo n THR 92 Ca 0.00 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 1ozo n THR 92 Cb 0.00 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.04 1ozo n THR 92 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ozo n GLY 93 N -0.13 0.43 0.00 3.38 0.00 -1.26 -1.42 105.19 106.19 1ozo n GLY 93 Ca 0.01 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.69 1ozo n GLY 93 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ozo n LEU 94 N 0.00 0.08 0.00 0.99 -0.00 -1.26 -5.01 117.00 111.80 1ozo n LEU 94 Ca 0.00 -0.12 0.00 0.00 -0.00 0.00 0.00 56.01 55.89 1ozo n LEU 94 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1ozo n LEU 94 CO 0.00 0.02 0.20 1.17 -0.00 0.00 0.00 177.39 178.78