#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2no8 s LEU 3 N 0.00 4.60 0.42 -1.84 1.43 -1.26 -5.03 118.68 117.00 2no8 s LEU 3 Ca 0.00 -0.38 0.06 0.00 -1.03 0.00 0.00 54.13 52.78 2no8 s LEU 3 Cb 0.00 -2.41 -0.07 0.00 0.03 0.00 0.00 46.19 43.75 2no8 s LEU 3 CO 0.00 -0.47 0.05 -1.59 0.23 0.00 0.00 176.35 174.57 2no8 s LYS 4 N 2.15 2.04 -0.03 1.70 0.00 -1.26 -5.05 119.74 119.28 2no8 s LYS 4 Ca 0.13 -2.09 0.21 0.00 0.00 0.00 0.00 55.97 54.23 2no8 s LYS 4 Cb -0.16 -1.70 -0.30 0.00 0.00 0.00 0.00 37.83 35.67 2no8 s LYS 4 CO 0.13 -0.10 0.48 -2.39 0.00 0.00 0.00 175.35 173.47 2no8 n HIS 5 N -1.06 0.11 -3.70 1.78 1.44 -1.26 -5.06 115.22 107.46 2no8 n HIS 5 Ca -0.06 0.03 -0.06 0.00 -2.01 0.00 0.00 57.72 55.62 2no8 n HIS 5 Cb 0.66 -0.62 0.02 0.00 0.12 0.00 0.00 29.99 30.18 2no8 n HIS 5 CO 0.00 0.00 0.00 -1.13 -2.81 0.00 0.00 176.34 172.40 2no8 n SER 6 N -2.37 -1.83 0.20 4.39 3.41 -1.26 -5.00 113.62 111.16 2no8 n SER 6 Ca -0.07 -2.21 0.07 0.00 -0.26 0.00 0.00 58.87 56.40 2no8 n SER 6 Cb 0.65 3.03 0.40 0.00 -0.26 0.00 0.00 64.21 68.03 2no8 n SER 6 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 2no8 h ILE 7 N 1.83 0.82 0.00 -1.33 2.10 -1.89 -2.87 117.51 116.18 2no8 h ILE 7 Ca -0.27 -1.32 0.00 0.00 1.08 0.00 0.00 64.86 64.35 2no8 h ILE 7 Cb 1.03 1.82 0.00 0.00 -1.09 0.00 0.00 36.82 38.58 2no8 h ILE 7 CO 0.35 0.31 0.00 -0.24 -1.08 0.00 0.00 178.15 177.49 2no8 n SER 8 N -3.57 0.00 0.10 2.19 2.88 -1.22 -1.78 113.62 112.23 2no8 n SER 8 Ca -0.00 -0.17 -0.02 0.00 -1.33 0.00 0.00 58.87 57.35 2no8 n SER 8 Cb 0.46 -0.27 -0.04 0.00 -0.75 0.00 0.00 64.21 63.60 2no8 n SER 8 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2no8 h ASP 9 N 0.00 0.00 -3.63 -3.46 1.82 -1.81 -3.18 116.42 106.16 2no8 h ASP 9 Ca 0.00 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 56.13 2no8 h ASP 9 Cb 0.27 0.00 -0.03 0.00 0.68 0.00 0.00 39.33 40.26 2no8 h ASP 9 CO 0.00 0.71 0.24 -0.31 -1.61 0.00 0.00 179.24 178.27 2no8 s TYR 10 N -2.85 3.89 0.73 0.28 1.51 -0.73 -4.77 117.35 115.41 2no8 s TYR 10 Ca 0.02 1.72 -0.07 0.00 -1.01 0.00 0.00 57.07 57.74 2no8 s TYR 10 Cb 0.09 -2.84 0.08 0.00 -0.11 0.00 0.00 41.96 39.18 2no8 s TYR 10 CO 0.78 0.46 1.04 0.95 -1.11 0.00 0.00 175.55 177.67 2no8 s THR 11 N -1.23 2.23 0.20 -0.71 -4.23 -1.26 0.03 115.64 110.66 2no8 s THR 11 Ca 0.39 -0.27 -0.11 0.00 -1.18 0.00 0.00 61.69 60.52 2no8 s THR 11 Cb -0.23 -2.96 0.13 0.00 1.34 0.00 0.00 72.50 70.78 2no8 s THR 11 CO 0.27 0.00 1.85 -0.08 -0.54 0.00 0.00 174.62 176.13 2no8 h GLU 12 N -0.70 0.94 -0.39 3.99 4.81 -1.87 0.11 114.58 121.47 2no8 h GLU 12 Ca -0.44 -0.07 -0.03 0.00 -0.13 0.00 0.00 59.36 58.69 2no8 h GLU 12 Cb 1.30 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 30.46 2no8 h GLU 12 CO 0.56 0.65 0.14 0.00 -0.73 0.00 0.00 179.01 179.63 2no8 h ALA 13 N 1.23 0.51 0.00 2.92 0.00 -1.93 0.28 119.26 122.27 2no8 h ALA 13 Ca 0.25 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.90 2no8 h ALA 13 Cb -0.06 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2no8 h ALA 13 CO -0.05 0.13 -0.50 0.93 0.00 0.00 0.00 179.25 179.76 2no8 h GLU 14 N 0.48 0.00 0.04 0.00 5.08 -1.85 -0.13 114.58 118.20 2no8 h GLU 14 Ca 0.13 0.00 -0.23 0.00 -1.00 0.00 0.00 59.36 58.26 2no8 h GLU 14 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 2no8 h GLU 14 CO -0.01 0.50 -1.02 0.35 -1.00 0.00 0.00 179.01 177.83 2no8 h PHE 15 N 0.00 0.35 0.00 4.33 3.57 -0.58 -2.85 116.94 121.75 2no8 h PHE 15 Ca -0.01 -0.22 -0.04 0.00 3.53 0.00 0.00 57.97 61.23 2no8 h PHE 15 Cb 1.10 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 2no8 h PHE 15 CO 0.00 1.10 -0.21 1.25 -2.23 0.00 0.00 178.31 178.22 2no8 h LEU 16 N 0.09 0.00 -1.05 0.59 6.46 -0.01 0.28 115.31 121.68 2no8 h LEU 16 Ca -0.07 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.69 2no8 h LEU 16 Cb 1.71 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.64 2no8 h LEU 16 CO 0.16 0.21 -0.00 -0.33 -0.62 0.00 0.00 178.44 177.86 2no8 h GLU 17 N 0.00 0.00 -0.02 1.25 5.08 -0.86 -2.46 114.58 117.57 2no8 h GLU 17 Ca -0.00 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 2no8 h GLU 17 Cb 0.66 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 2no8 h GLU 17 CO 0.03 0.00 -0.22 0.27 -1.00 0.00 0.00 179.01 178.09 2no8 h PHE 18 N 0.00 -0.58 -0.17 4.33 -5.15 -0.20 0.37 116.94 115.54 2no8 h PHE 18 Ca -0.00 0.02 -0.22 0.00 -0.20 0.00 0.00 57.97 57.57 2no8 h PHE 18 Cb 0.65 0.26 0.01 0.00 0.22 0.00 0.00 35.95 37.09 2no8 h PHE 18 CO 0.00 -0.31 -0.74 -0.24 -2.00 0.00 0.00 178.31 175.02 2no8 h VAL 19 N -0.34 1.28 -0.80 0.88 3.04 -1.59 -1.71 116.25 117.02 2no8 h VAL 19 Ca 0.07 -1.93 0.00 0.00 -1.01 0.00 0.00 66.70 63.83 2no8 h VAL 19 Cb 0.43 1.94 -0.04 0.00 -2.01 0.00 0.00 31.29 31.60 2no8 h VAL 19 CO -0.22 0.62 0.51 0.11 -1.01 0.00 0.00 177.57 177.58 2no8 h LYS 20 N 0.55 1.06 -0.51 4.17 1.57 -1.17 0.73 116.57 122.97 2no8 h LYS 20 Ca -0.04 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 2no8 h LYS 20 Cb 1.37 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 2no8 h LYS 20 CO 0.15 0.72 0.25 -0.22 -0.57 0.00 0.00 179.45 179.78 2no8 h LYS 21 N 1.09 0.74 -0.45 3.15 3.64 -0.07 0.43 116.57 125.10 2no8 h LYS 21 Ca 0.29 -0.11 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 2no8 h LYS 21 Cb -0.10 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 2no8 h LYS 21 CO -0.06 0.61 0.19 0.82 -2.27 0.00 0.00 179.45 178.74 2no8 h ILE 22 N 0.68 1.17 0.35 2.00 2.04 -0.74 0.30 117.51 123.31 2no8 h ILE 22 Ca 0.18 -0.51 -0.02 0.00 1.00 0.00 0.00 64.86 65.51 2no8 h ILE 22 Cb 0.12 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 36.83 2no8 h ILE 22 CO -0.02 0.20 -0.17 0.00 0.00 0.00 0.00 178.15 178.16 2no8 h ARG 24 N -1.04 0.35 -0.50 0.00 0.11 -0.08 -3.32 114.38 109.89 2no8 h ARG 24 Ca -0.05 -0.42 -0.12 0.00 0.10 0.00 0.00 59.98 59.49 2no8 h ARG 24 Cb 0.47 0.13 -0.07 0.00 1.11 0.00 0.00 29.97 31.61 2no8 h ARG 24 CO 0.08 1.11 0.11 0.00 0.10 0.00 0.00 179.97 181.36 2no8 n ALA 25 N -2.60 3.96 -0.01 0.08 0.00 0.10 -4.88 120.51 117.16 2no8 n ALA 25 Ca -0.11 -2.45 -0.00 0.00 0.00 0.00 0.00 53.44 50.88 2no8 n ALA 25 Cb 0.68 -0.98 -0.00 0.00 0.00 0.00 0.00 19.45 19.15 2no8 n ALA 25 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2no8 n GLU 26 N -0.39 -0.01 0.00 0.00 0.28 -1.13 -4.72 120.64 114.66 2no8 n GLU 26 Ca 0.32 0.14 0.00 0.00 -0.16 0.00 0.00 57.16 57.46 2no8 n GLU 26 Cb 1.16 -0.21 0.00 0.00 1.43 0.00 0.00 31.44 33.82 2no8 n GLU 26 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2no8 n GLY 27 N -1.01 1.64 0.19 -1.84 0.00 -1.26 -3.19 105.19 99.72 2no8 n GLY 27 Ca 0.00 -0.34 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 2no8 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2no8 h ALA 28 N 0.00 0.51 -2.20 4.61 0.00 -1.90 -3.44 119.26 116.84 2no8 h ALA 28 Ca 0.00 -0.15 -0.38 0.00 0.00 0.00 0.00 54.91 54.38 2no8 h ALA 28 Cb 0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 17.79 17.49 2no8 h ALA 28 CO 0.00 0.13 -0.69 0.99 0.00 0.00 0.00 179.25 179.68 2no8 s THR 29 N -5.49 1.26 0.46 0.00 2.01 -1.26 -5.01 115.64 107.61 2no8 s THR 29 Ca -0.13 -2.08 0.26 0.00 0.31 0.00 0.00 61.69 60.05 2no8 s THR 29 Cb 0.10 -2.14 0.29 0.00 0.01 0.00 0.00 72.50 70.76 2no8 s THR 29 CO 0.75 -0.51 2.11 -0.08 -0.69 0.00 0.00 174.62 176.20 2no8 h GLU 30 N 2.57 0.00 0.00 4.92 4.57 -1.96 0.00 114.58 124.68 2no8 h GLU 30 Ca -0.38 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.79 2no8 h GLU 30 Cb 1.21 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.80 2no8 h GLU 30 CO 0.64 0.10 -0.05 1.05 -1.18 0.00 0.00 179.01 179.56 2no8 h GLU 31 N 0.00 0.00 -0.00 1.92 -0.00 -1.97 -2.07 114.58 112.46 2no8 h GLU 31 Ca -0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 59.36 59.15 2no8 h GLU 31 Cb 0.25 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.99 2no8 h GLU 31 CO 0.01 0.05 -0.89 0.22 -0.00 0.00 0.00 179.01 178.41 2no8 h ASP 32 N 0.00 0.34 0.49 3.06 3.58 -1.33 -1.79 116.42 120.77 2no8 h ASP 32 Ca -0.00 -0.27 -0.02 0.00 0.42 0.00 0.00 57.03 57.15 2no8 h ASP 32 Cb 0.77 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 41.72 2no8 h ASP 32 CO 0.01 1.07 -0.24 -0.78 -2.88 0.00 0.00 179.24 176.42 2no8 h ASP 33 N 0.15 -0.56 -0.64 2.28 1.82 -1.32 -3.20 116.42 114.96 2no8 h ASP 33 Ca -0.05 -0.05 0.12 0.00 -0.39 0.00 0.00 57.03 56.65 2no8 h ASP 33 Cb 1.52 0.14 -0.09 0.00 0.68 0.00 0.00 39.33 41.58 2no8 h ASP 33 CO 0.14 -0.28 0.18 -1.13 -1.61 0.00 0.00 179.24 176.55 2no8 h ASN 34 N -0.83 0.10 -0.03 2.28 -1.24 -1.37 -1.58 115.58 112.91 2no8 h ASN 34 Ca -0.07 0.11 -0.04 0.00 0.71 0.00 0.00 56.30 57.01 2no8 h ASN 34 Cb 0.58 0.13 -0.01 0.00 0.73 0.00 0.00 38.32 39.74 2no8 h ASN 34 CO 0.11 0.05 -0.09 0.07 -1.29 0.00 0.00 177.43 176.28 2no8 h LYS 35 N 0.32 0.27 0.05 6.67 2.10 -1.35 0.33 116.57 124.96 2no8 h LYS 35 Ca 0.34 -0.06 -0.00 0.00 -2.00 0.00 0.00 60.65 58.93 2no8 h LYS 35 Cb 0.50 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 31.79 2no8 h LYS 35 CO -0.39 0.38 -0.02 -0.07 -2.00 0.00 0.00 179.45 177.34 2no8 h LEU 36 N 0.26 -0.06 -0.60 7.07 3.38 -1.31 -2.46 115.31 121.61 2no8 h LEU 36 Ca 0.06 -0.30 0.10 0.00 0.09 0.00 0.00 57.88 57.83 2no8 h LEU 36 Cb 0.33 0.02 -0.08 0.00 0.09 0.00 0.00 40.66 41.02 2no8 h LEU 36 CO 0.02 0.27 0.17 0.58 0.09 0.00 0.00 178.44 179.57 2no8 h VAL 37 N -0.39 0.71 -0.60 1.22 2.07 -0.63 -1.36 116.25 117.25 2no8 h VAL 37 Ca -0.01 -0.11 -0.10 0.00 0.82 0.00 0.00 66.70 67.30 2no8 h VAL 37 Cb 0.35 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 2no8 h VAL 37 CO 0.01 0.06 -0.01 0.03 0.02 0.00 0.00 177.57 177.68 2no8 h ARG 38 N 0.32 1.07 -0.23 1.57 3.08 -0.36 0.32 114.38 120.15 2no8 h ARG 38 Ca 0.31 -0.35 -0.14 0.00 0.07 0.00 0.00 59.98 59.87 2no8 h ARG 38 Cb 0.42 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 2no8 h ARG 38 CO -0.35 1.05 -0.44 1.05 -1.07 0.00 0.00 179.97 180.20 2no8 h GLU 39 N 0.97 0.58 -0.25 0.04 4.11 -0.90 -2.33 114.58 116.79 2no8 h GLU 39 Ca 0.17 -0.32 -0.11 0.00 0.07 0.00 0.00 59.36 59.17 2no8 h GLU 39 Cb 0.57 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2no8 h GLU 39 CO 0.03 0.91 -0.28 0.74 0.07 0.00 0.00 179.01 180.48 2no8 h PHE 40 N 0.47 0.77 0.00 2.06 0.04 -1.03 -3.02 116.94 116.23 2no8 h PHE 40 Ca 0.03 -0.24 0.00 0.00 2.80 0.00 0.00 57.97 60.56 2no8 h PHE 40 Cb 0.96 -0.16 0.00 0.00 2.20 0.00 0.00 35.95 38.95 2no8 h PHE 40 CO 0.04 0.97 0.00 0.93 -0.60 0.00 0.00 178.31 179.65 2no8 h GLU 41 N 0.35 0.00 0.00 1.51 4.39 -0.24 -0.07 114.58 120.53 2no8 h GLU 41 Ca 0.04 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.69 2no8 h GLU 41 Cb 0.85 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.49 2no8 h GLU 41 CO 0.07 0.00 -0.83 0.00 -1.16 0.00 0.00 179.01 177.09 2no8 h ARG 42 N 0.00 0.00 0.19 2.33 3.08 -1.34 -0.68 114.38 117.97 2no8 h ARG 42 Ca 0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.74 2no8 h ARG 42 Cb 0.26 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.33 2no8 h ARG 42 CO 0.00 0.12 -1.37 -0.07 -1.07 0.00 0.00 179.97 177.58 2no8 h LEU 43 N 0.00 0.67 0.00 3.04 3.38 -0.95 -3.30 115.31 118.15 2no8 h LEU 43 Ca -0.04 -0.71 -0.22 0.00 0.09 0.00 0.00 57.88 57.00 2no8 h LEU 43 Cb 1.17 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 2no8 h LEU 43 CO 0.02 1.55 -1.09 0.71 0.09 0.00 0.00 178.44 179.72 2no8 h THR 44 N 0.12 1.58 -1.29 0.22 1.35 -1.23 -3.42 112.91 110.25 2no8 h THR 44 Ca -0.20 -3.30 -0.39 0.00 -0.55 0.00 0.00 66.41 61.97 2no8 h THR 44 Cb 2.07 2.78 -0.13 0.00 -1.73 0.00 0.00 68.15 71.15 2no8 h THR 44 CO 0.24 0.90 -0.38 -0.62 -0.25 0.00 0.00 175.52 175.41 2no8 n GLU 45 N -3.30 -1.37 -2.79 4.72 1.02 -0.27 -4.91 120.64 113.74 2no8 n GLU 45 Ca -0.02 1.12 -0.41 0.00 -0.02 0.00 0.00 57.16 57.83 2no8 n GLU 45 Cb 0.95 -5.48 -0.05 0.00 -0.02 0.00 0.00 31.44 26.85 2no8 n GLU 45 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2no8 s HIS 46 N -2.76 3.81 0.07 -0.32 2.46 -1.20 -4.96 115.29 112.39 2no8 s HIS 46 Ca 0.00 1.73 -0.29 0.00 0.47 0.00 0.00 55.06 56.98 2no8 s HIS 46 Cb 0.00 -2.99 -0.17 0.00 -0.13 0.00 0.00 32.58 29.28 2no8 s HIS 46 CO 0.00 0.24 1.64 -1.00 -2.47 0.00 0.00 174.74 173.15 2no8 h PRO 47 N 5.48 -0.52 -0.25 2.88 0.13 -1.92 -3.22 132.00 134.57 2no8 h PRO 47 Ca -0.43 0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.67 2no8 h PRO 47 Cb 1.21 0.12 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 2no8 h PRO 47 CO 0.71 -0.33 -0.03 -0.25 -0.23 0.00 0.00 178.00 177.87 2no8 n ASP 48 N -5.31 3.21 -0.18 1.44 8.00 -1.26 -4.68 116.55 117.77 2no8 n ASP 48 Ca -0.11 -3.28 -0.03 0.00 0.71 0.00 0.00 54.79 52.08 2no8 n ASP 48 Cb 0.24 -0.56 0.07 0.00 -0.02 0.00 0.00 41.12 40.85 2no8 n ASP 48 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2no8 h GLY 49 N 1.30 0.76 0.96 0.44 0.00 -1.96 0.47 103.07 105.04 2no8 h GLY 49 Ca 0.07 -0.15 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 2no8 h GLY 49 CO 0.25 0.06 0.11 1.76 0.00 0.00 0.00 176.54 178.72 2no8 h SER 50 N 0.46 0.69 0.16 0.19 0.02 -1.84 -2.61 113.55 110.63 2no8 h SER 50 Ca 0.26 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 2no8 h SER 50 Cb 0.23 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.59 2no8 h SER 50 CO -0.22 0.75 -0.12 0.44 -1.14 0.00 0.00 176.83 176.53 2no8 h ASP 51 N 0.61 0.00 -0.87 3.07 5.19 -1.48 -2.38 116.42 120.55 2no8 h ASP 51 Ca 0.14 0.00 0.08 0.00 -0.62 0.00 0.00 57.03 56.64 2no8 h ASP 51 Cb 0.32 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 39.77 2no8 h ASP 51 CO 0.00 0.12 0.57 -0.07 -3.12 0.00 0.00 179.24 176.74 2no8 h LEU 52 N 0.00 0.82 -0.05 1.55 3.38 0.29 0.80 115.31 122.10 2no8 h LEU 52 Ca -0.00 0.01 -0.25 0.00 0.09 0.00 0.00 57.88 57.74 2no8 h LEU 52 Cb 0.24 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2no8 h LEU 52 CO 0.02 0.50 -1.08 0.40 0.09 0.00 0.00 178.44 178.37 2no8 h ILE 53 N 0.92 1.45 0.14 1.22 2.04 -1.47 -3.33 117.51 118.48 2no8 h ILE 53 Ca 0.39 -2.74 -0.33 0.00 1.00 0.00 0.00 64.86 63.18 2no8 h ILE 53 Cb 0.32 2.67 -0.00 0.00 -0.74 0.00 0.00 36.82 39.06 2no8 h ILE 53 CO -0.16 0.81 -1.66 1.88 0.00 0.00 0.00 178.15 179.03 2no8 h TYR 54 N 0.15 0.55 -3.41 1.37 0.05 -1.18 -3.46 116.97 111.03 2no8 h TYR 54 Ca -0.10 -0.40 -0.22 0.00 0.05 0.00 0.00 58.73 58.06 2no8 h TYR 54 Cb 1.75 -0.02 -0.29 0.00 1.01 0.00 0.00 36.73 39.18 2no8 h TYR 54 CO 0.06 1.51 -0.60 0.71 -1.05 0.00 0.00 178.16 178.79 2no8 s TYR 55 N -2.60 -0.12 1.01 4.88 2.02 0.27 -5.09 117.35 117.72 2no8 s TYR 55 Ca -0.12 0.33 -0.16 0.00 -0.37 0.00 0.00 57.07 56.75 2no8 s TYR 55 Cb 0.06 -0.01 0.20 0.00 -0.40 0.00 0.00 41.96 41.81 2no8 s TYR 55 CO 0.85 -0.09 1.22 -1.25 -1.57 0.00 0.00 175.55 174.70 2no8 s PRO 56 N 0.44 0.33 0.00 -1.71 0.04 -1.26 -3.86 135.00 128.97 2no8 s PRO 56 Ca -0.03 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 60.87 2no8 s PRO 56 Cb -0.05 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.71 2no8 s PRO 56 CO -0.02 -2.67 0.00 0.54 0.04 0.00 0.00 177.00 174.89 2no8 n ARG 57 N -4.01 0.00 0.04 4.56 5.12 -1.25 -5.02 116.66 116.10 2no8 n ARG 57 Ca 0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 2no8 n ARG 57 Cb 0.59 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.89 2no8 n ARG 57 CO 0.00 0.00 0.00 -3.47 -1.93 0.00 0.00 177.63 172.23 2no8 n ASP 58 N 0.00 0.56 -0.03 0.55 2.03 -1.26 -4.83 116.55 113.57 2no8 n ASP 58 Ca 0.00 0.11 -0.09 0.00 0.52 0.00 0.00 54.79 55.33 2no8 n ASP 58 Cb 0.00 -0.15 -0.14 0.00 -0.72 0.00 0.00 41.12 40.11 2no8 n ASP 58 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2no8 n ASP 59 N -3.27 0.80 -4.69 1.67 8.00 -1.26 -4.89 116.55 112.91 2no8 n ASP 59 Ca 0.00 0.38 -0.42 0.00 0.71 0.00 0.00 54.79 55.46 2no8 n ASP 59 Cb 0.19 0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 2no8 n ASP 59 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 2no8 s ARG 60 N -2.59 4.23 0.21 -1.24 3.00 -1.26 -4.90 118.95 116.39 2no8 s ARG 60 Ca -0.05 2.20 -0.32 0.00 -1.00 0.00 0.00 55.73 56.56 2no8 s ARG 60 Cb 0.08 -3.57 -0.14 0.00 0.00 0.00 0.00 34.95 31.32 2no8 s ARG 60 CO 0.83 -0.67 1.44 -1.91 0.00 0.00 0.00 175.30 174.99 2no8 n GLU 61 N 5.44 2.00 -3.23 5.12 4.07 -1.26 -3.96 120.64 128.81 2no8 n GLU 61 Ca 0.15 0.71 -0.43 0.00 -0.06 0.00 0.00 57.16 57.53 2no8 n GLU 61 Cb 0.42 -2.40 -0.00 0.00 -0.06 0.00 0.00 31.44 29.40 2no8 n GLU 61 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2no8 n ASP 62 N 2.52 5.76 -3.95 4.31 2.03 -1.26 -3.80 116.55 122.15 2no8 n ASP 62 Ca 0.13 -3.20 -0.09 0.00 0.52 0.00 0.00 54.79 52.16 2no8 n ASP 62 Cb 0.30 -1.30 -0.07 0.00 -0.72 0.00 0.00 41.12 39.32 2no8 n ASP 62 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2no8 s SER 63 N -0.04 0.10 0.55 1.67 1.04 -1.26 -4.96 113.70 110.80 2no8 s SER 63 Ca 0.31 -0.84 0.28 0.00 0.48 0.00 0.00 55.95 56.18 2no8 s SER 63 Cb -0.04 0.39 1.46 0.00 0.10 0.00 0.00 66.02 67.93 2no8 s SER 63 CO -0.01 -0.82 1.96 -0.65 0.98 0.00 0.00 173.24 174.70 2no8 h PRO 64 N 2.65 0.00 0.12 4.02 0.11 -1.92 -0.03 132.00 136.96 2no8 h PRO 64 Ca -0.33 0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.60 2no8 h PRO 64 Cb 1.21 0.00 0.02 0.00 0.11 0.00 0.00 31.00 32.34 2no8 h PRO 64 CO 0.52 0.00 -0.84 0.93 -0.21 0.00 0.00 178.00 178.40 2no8 h GLU 65 N 0.00 0.26 0.00 1.05 5.08 -1.94 -3.19 114.58 115.84 2no8 h GLU 65 Ca 0.26 -0.45 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 2no8 h GLU 65 Cb 1.15 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.55 2no8 h GLU 65 CO -0.00 1.21 -0.38 0.78 -1.00 0.00 0.00 179.01 179.62 2no8 h GLY 66 N -0.38 0.00 1.25 -3.84 0.00 -1.53 0.82 103.07 99.40 2no8 h GLY 66 Ca -0.16 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.03 2no8 h GLY 66 CO 0.12 0.00 -0.36 -2.22 0.00 0.00 0.00 176.54 174.08 2no8 h ILE 67 N 0.00 1.28 -0.53 2.60 2.04 -1.13 -0.12 117.51 121.65 2no8 h ILE 67 Ca -0.00 -1.53 -0.10 0.00 1.00 0.00 0.00 64.86 64.22 2no8 h ILE 67 Cb 0.74 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 2no8 h ILE 67 CO 0.05 0.51 -0.07 0.58 0.00 0.00 0.00 178.15 179.21 2no8 h VAL 68 N 0.68 1.26 -0.79 1.67 2.07 -1.42 -2.68 116.25 117.05 2no8 h VAL 68 Ca 0.06 -1.20 0.04 0.00 0.82 0.00 0.00 66.70 66.42 2no8 h VAL 68 Cb 0.92 0.93 -0.05 0.00 -1.52 0.00 0.00 31.29 31.57 2no8 h VAL 68 CO 0.09 0.42 0.49 0.50 0.02 0.00 0.00 177.57 179.09 2no8 h LYS 69 N 0.87 0.91 0.17 1.57 1.63 -0.53 0.33 116.57 121.53 2no8 h LYS 69 Ca 0.15 -0.05 0.01 0.00 -0.85 0.00 0.00 60.65 59.90 2no8 h LYS 69 Cb 0.61 -0.21 -0.03 0.00 -0.60 0.00 0.00 32.23 32.00 2no8 h LYS 69 CO 0.04 0.60 -0.28 1.49 -3.45 0.00 0.00 179.45 177.85 2no8 h GLU 70 N 0.94 -0.51 -0.67 1.90 4.57 -0.74 0.23 114.58 120.30 2no8 h GLU 70 Ca 0.32 0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.51 2no8 h GLU 70 Cb 0.06 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.74 2no8 h GLU 70 CO -0.13 -0.34 0.29 0.82 -1.18 0.00 0.00 179.01 178.47 2no8 h ILE 71 N -0.53 1.23 0.89 2.32 2.04 -1.14 -1.53 117.51 120.79 2no8 h ILE 71 Ca 0.02 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.15 2no8 h ILE 71 Cb 0.53 0.40 0.01 0.00 -0.74 0.00 0.00 36.82 37.02 2no8 h ILE 71 CO -0.13 0.28 -0.46 0.50 0.00 0.00 0.00 178.15 178.34 2no8 h LYS 72 N 0.96 -1.19 -0.99 2.37 1.63 0.22 0.12 116.57 119.68 2no8 h LYS 72 Ca 0.23 0.08 0.03 0.00 -0.85 0.00 0.00 60.65 60.14 2no8 h LYS 72 Cb 0.16 0.27 -0.05 0.00 -0.60 0.00 0.00 32.23 32.00 2no8 h LYS 72 CO -0.02 -0.80 0.65 0.93 -3.45 0.00 0.00 179.45 176.76 2no8 h GLU 73 N -1.24 1.25 0.10 1.90 4.39 -0.41 0.20 114.58 120.77 2no8 h GLU 73 Ca -0.12 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.50 2no8 h GLU 73 Cb 0.96 -0.28 0.00 0.00 -0.10 0.00 0.00 28.75 29.33 2no8 h GLU 73 CO 0.18 0.83 -0.05 2.35 -1.16 0.00 0.00 179.01 181.16 2no8 h TRP 74 N 1.29 -0.12 -0.10 4.33 7.01 -1.26 -2.02 115.95 125.08 2no8 h TRP 74 Ca 0.38 -0.00 -0.09 0.00 2.11 0.00 0.00 58.89 61.29 2no8 h TRP 74 Cb -0.07 0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.02 2no8 h TRP 74 CO -0.00 0.38 -0.35 0.00 -2.79 0.00 0.00 178.44 175.68 2no8 h ARG 75 N -0.74 0.19 -0.05 2.65 3.08 -0.52 0.26 114.38 119.26 2no8 h ARG 75 Ca -0.01 -0.08 -0.11 0.00 0.07 0.00 0.00 59.98 59.84 2no8 h ARG 75 Cb 0.56 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2no8 h ARG 75 CO 0.02 0.53 -0.49 0.00 -1.07 0.00 0.00 179.97 178.96 2no8 h ALA 76 N 1.47 1.10 0.10 0.04 0.00 -0.67 0.21 119.26 121.51 2no8 h ALA 76 Ca 0.02 -0.46 -0.28 0.00 0.00 0.00 0.00 54.91 54.19 2no8 h ALA 76 Cb 0.70 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2no8 h ALA 76 CO 0.05 0.63 -1.39 0.00 0.00 0.00 0.00 179.25 178.54 2no8 h ALA 77 N 1.41 0.27 0.00 0.00 0.00 -0.57 -3.13 119.26 117.24 2no8 h ALA 77 Ca 0.00 -1.05 -0.06 0.00 0.00 0.00 0.00 54.91 53.81 2no8 h ALA 77 Cb 0.90 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2no8 h ALA 77 CO 0.07 1.14 -0.27 -0.91 0.00 0.00 0.00 179.25 179.28 2no8 h ASN 78 N 0.06 0.00 0.00 0.00 -0.26 -0.42 -3.46 115.58 111.49 2no8 h ASN 78 Ca -0.18 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.56 2no8 h ASN 78 Cb 1.97 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 39.23 2no8 h ASN 78 CO 0.16 0.27 0.00 0.61 -1.06 0.00 0.00 177.43 177.41 2no8 n GLY 79 N -0.27 0.75 3.98 2.83 0.00 -0.39 -5.05 105.19 107.04 2no8 n GLY 79 Ca -0.01 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 2no8 n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2no8 s LYS 80 N -2.92 1.74 0.53 1.61 1.02 0.61 -5.03 119.74 117.30 2no8 s LYS 80 Ca 0.00 -0.99 -0.19 0.00 0.02 0.00 0.00 55.97 54.81 2no8 s LYS 80 Cb 0.00 -2.31 -0.06 0.00 -0.52 0.00 0.00 37.83 34.93 2no8 s LYS 80 CO 0.00 -1.41 1.09 0.45 -0.92 0.00 0.00 175.35 174.56 2no8 s SER 81 N -4.70 5.93 0.00 2.83 0.15 -1.26 -4.62 113.70 112.04 2no8 s SER 81 Ca 0.65 2.06 0.00 0.00 0.70 0.00 0.00 55.95 59.36 2no8 s SER 81 Cb -0.06 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2no8 s SER 81 CO 0.44 -1.07 0.00 0.61 1.20 0.00 0.00 173.24 174.42 2no8 n GLY 82 N -0.08 4.03 3.98 9.45 0.00 -1.26 -4.84 105.19 116.47 2no8 n GLY 82 Ca 0.11 -1.93 -0.20 0.00 0.00 0.00 0.00 46.02 44.00 2no8 n GLY 82 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2no8 s PHE 83 N 2.09 3.20 -0.03 1.61 0.08 -1.26 -3.38 117.98 120.30 2no8 s PHE 83 Ca 0.00 -0.16 -0.30 0.00 0.12 0.00 0.00 56.93 56.59 2no8 s PHE 83 Cb 0.00 -1.89 -0.04 0.00 -0.57 0.00 0.00 43.02 40.52 2no8 s PHE 83 CO 0.00 0.10 1.24 0.21 -0.10 0.00 0.00 175.22 176.68 2no8 s LYS 84 N -4.13 4.35 -0.14 0.44 2.20 0.10 -4.84 119.74 117.72 2no8 s LYS 84 Ca 0.42 1.75 0.18 0.00 -0.36 0.00 0.00 55.97 57.96 2no8 s LYS 84 Cb -0.09 -3.53 0.37 0.00 -1.51 0.00 0.00 37.83 33.06 2no8 s LYS 84 CO 0.31 -0.45 1.24 0.00 -0.36 0.00 0.00 175.35 176.09 2no8 n GLN 85 N 5.08 1.91 0.00 4.03 10.64 -1.26 -3.29 117.38 134.48 2no8 n GLN 85 Ca 0.11 -2.64 0.00 0.00 -1.83 0.00 0.00 57.00 52.64 2no8 n GLN 85 Cb 0.46 -1.61 0.00 0.00 -0.86 0.00 0.00 30.24 28.23 2no8 n GLN 85 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64