#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 4.39 0.00 4.31 1.43 -1.26 -5.09 118.68 122.46 2no8 s LEU 3 Ca 0.00 -1.88 0.00 0.00 -1.03 0.00 0.00 54.13 51.22 2no8 s LEU 3 Cb 0.00 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.59 2no8 s LEU 3 CO 0.00 -0.33 0.00 2.29 0.23 0.00 0.00 176.35 178.54 2no8 n LYS 4 N 4.36 0.58 0.00 1.70 2.85 -1.26 -5.06 118.16 121.33 2no8 n LYS 4 Ca -0.03 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.23 2no8 n LYS 4 Cb 0.42 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.80 2no8 n LYS 4 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 177.40 174.96 2no8 n HIS 5 N -1.13 0.00 -3.97 5.58 1.44 -1.26 -5.13 115.22 110.75 2no8 n HIS 5 Ca 0.00 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.72 2no8 n HIS 5 Cb 0.00 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.12 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 -0.52 -1.31 0.21 4.39 3.41 -1.26 -5.00 113.62 113.54 2no8 n SER 6 Ca 0.00 -1.43 0.08 0.00 -0.26 0.00 0.00 58.87 57.26 2no8 n SER 6 Cb 0.00 2.07 0.45 0.00 -0.26 0.00 0.00 64.21 66.47 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 1.96 0.77 0.00 -1.33 2.10 -1.92 -2.63 117.51 116.46 2no8 h ILE 7 Ca -0.22 -1.19 0.00 0.00 1.08 0.00 0.00 64.86 64.53 2no8 h ILE 7 Cb 1.14 1.74 0.00 0.00 -1.09 0.00 0.00 36.82 38.62 2no8 h ILE 7 CO 0.32 0.28 0.00 -1.28 -1.08 0.00 0.00 178.15 176.38 2no8 h SER 8 N 0.00 0.00 1.68 2.19 0.87 -1.95 -0.65 113.55 115.69 2no8 h SER 8 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2no8 h SER 8 Cb 0.72 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.68 2no8 h SER 8 CO 0.04 0.00 0.00 -0.78 -0.53 0.00 0.00 176.83 175.56 2no8 h ASP 9 N 0.00 0.00 -3.39 6.23 3.58 -1.78 -3.15 116.42 117.91 2no8 h ASP 9 Ca 0.00 0.00 -0.55 0.00 0.42 0.00 0.00 57.03 56.90 2no8 h ASP 9 Cb 0.34 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.35 2no8 h ASP 9 CO 0.00 0.00 0.10 -0.31 -2.88 0.00 0.00 179.24 176.15 2no8 s TYR 10 N -3.27 3.76 0.72 0.28 1.51 -0.25 -4.79 117.35 115.31 2no8 s TYR 10 Ca 0.07 1.41 -0.10 0.00 -1.01 0.00 0.00 57.07 57.44 2no8 s TYR 10 Cb 0.07 -2.72 0.05 0.00 -0.11 0.00 0.00 41.96 39.25 2no8 s TYR 10 CO 0.62 0.37 1.07 0.95 -1.11 0.00 0.00 175.55 177.46 2no8 s THR 11 N -0.40 2.74 0.29 -0.71 -4.23 -1.26 -0.36 115.64 111.71 2no8 s THR 11 Ca 0.35 0.07 -0.02 0.00 -1.18 0.00 0.00 61.69 60.91 2no8 s THR 11 Cb -0.20 -3.21 0.21 0.00 1.34 0.00 0.00 72.50 70.64 2no8 s THR 11 CO 0.22 -0.25 1.90 -0.08 -0.54 0.00 0.00 174.62 175.87 2no8 h GLU 12 N -0.70 0.98 -0.14 3.99 4.81 -1.89 0.17 114.58 121.81 2no8 h GLU 12 Ca -0.45 -0.12 -0.03 0.00 -0.13 0.00 0.00 59.36 58.63 2no8 h GLU 12 Cb 1.29 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 30.48 2no8 h GLU 12 CO 0.63 0.74 -0.02 0.00 -0.73 0.00 0.00 179.01 179.63 2no8 h ALA 13 N 1.41 0.19 -0.03 2.92 0.00 -1.93 0.10 119.26 121.94 2no8 h ALA 13 Ca 0.25 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2no8 h ALA 13 Cb 0.06 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2no8 h ALA 13 CO -0.04 -0.07 -0.41 0.93 0.00 0.00 0.00 179.25 179.66 2no8 h GLU 14 N -0.02 0.05 -0.04 0.00 5.08 -1.84 -0.23 114.58 117.58 2no8 h GLU 14 Ca 0.04 -0.02 -0.18 0.00 -1.00 0.00 0.00 59.36 58.20 2no8 h GLU 14 Cb 0.43 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 2no8 h GLU 14 CO 0.01 0.46 -0.74 0.35 -1.00 0.00 0.00 179.01 178.09 2no8 h PHE 15 N 0.05 0.37 0.00 4.33 3.57 -0.57 -2.53 116.94 122.15 2no8 h PHE 15 Ca 0.00 -0.17 -0.06 0.00 3.53 0.00 0.00 57.97 61.27 2no8 h PHE 15 Cb 0.75 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 2no8 h PHE 15 CO 0.00 0.91 -0.28 1.25 -2.23 0.00 0.00 178.31 177.97 2no8 h LEU 16 N 0.18 0.00 -1.39 0.59 6.46 0.08 0.13 115.31 121.36 2no8 h LEU 16 Ca -0.03 0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.72 2no8 h LEU 16 Cb 1.31 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.23 2no8 h LEU 16 CO 0.12 0.28 -0.08 -0.33 -0.62 0.00 0.00 178.44 177.81 2no8 h GLU 17 N 0.00 0.00 0.24 1.25 4.39 -0.65 -2.20 114.58 117.61 2no8 h GLU 17 Ca -0.00 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.70 2no8 h GLU 17 Cb 0.65 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.28 2no8 h GLU 17 CO 0.04 0.08 -0.30 0.27 -1.16 0.00 0.00 179.01 177.93 2no8 h PHE 18 N 0.00 -0.82 -0.12 4.33 -5.15 -0.48 0.15 116.94 114.85 2no8 h PHE 18 Ca -0.00 0.01 -0.20 0.00 -0.20 0.00 0.00 57.97 57.58 2no8 h PHE 18 Cb 0.57 0.33 0.00 0.00 0.22 0.00 0.00 35.95 37.07 2no8 h PHE 18 CO 0.00 -0.43 -0.74 -0.24 -2.00 0.00 0.00 178.31 174.91 2no8 h VAL 19 N -0.60 1.33 -0.36 0.88 3.04 -1.59 -1.88 116.25 117.06 2no8 h VAL 19 Ca 0.00 -2.04 0.01 0.00 -1.01 0.00 0.00 66.70 63.66 2no8 h VAL 19 Cb 0.57 2.02 -0.02 0.00 -2.01 0.00 0.00 31.29 31.85 2no8 h VAL 19 CO -0.10 0.63 0.23 0.11 -1.01 0.00 0.00 177.57 177.43 2no8 h LYS 20 N 0.41 0.47 -0.47 4.17 1.57 -1.23 -0.01 116.57 121.48 2no8 h LYS 20 Ca -0.04 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.73 2no8 h LYS 20 Cb 1.34 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.51 2no8 h LYS 20 CO 0.14 0.31 0.29 -0.22 -0.57 0.00 0.00 179.45 179.40 2no8 h LYS 21 N 0.48 0.56 -0.37 3.15 3.64 -0.45 0.46 116.57 124.05 2no8 h LYS 21 Ca 0.14 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 2no8 h LYS 21 Cb -0.04 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.63 2no8 h LYS 21 CO -0.04 0.37 0.06 0.82 -2.27 0.00 0.00 179.45 178.39 2no8 h ILE 22 N 0.58 1.18 0.01 2.00 2.04 -1.01 0.30 117.51 122.62 2no8 h ILE 22 Ca 0.18 -0.68 -0.15 0.00 1.00 0.00 0.00 64.86 65.21 2no8 h ILE 22 Cb -0.02 0.84 0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2no8 h ILE 22 CO -0.07 0.24 -0.60 0.00 0.00 0.00 0.00 178.15 177.73 2no8 n ARG 24 N -4.23 0.67 -0.65 0.00 1.85 0.15 -4.24 116.66 110.21 2no8 n ARG 24 Ca -0.11 0.15 0.01 0.00 -1.00 0.00 0.00 57.85 56.91 2no8 n ARG 24 Cb 0.67 -1.64 0.24 0.00 -1.05 0.00 0.00 32.46 30.68 2no8 n ARG 24 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2no8 n ALA 25 N -2.77 3.70 -0.01 2.89 0.00 0.10 -4.95 120.51 119.48 2no8 n ALA 25 Ca -0.29 -2.64 0.00 0.00 0.00 0.00 0.00 53.44 50.51 2no8 n ALA 25 Cb 1.09 -0.79 0.00 0.00 0.00 0.00 0.00 19.45 19.75 2no8 n ALA 25 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2no8 n GLU 26 N -0.74 0.00 0.00 0.00 4.71 -1.17 -4.77 120.64 118.67 2no8 n GLU 26 Ca 0.29 0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.54 2no8 n GLU 26 Cb 1.02 -0.15 0.00 0.00 -1.01 0.00 0.00 31.44 31.30 2no8 n GLU 26 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2no8 n GLY 27 N -0.96 1.72 0.20 0.62 0.00 -1.26 -3.77 105.19 101.73 2no8 n GLY 27 Ca 0.00 -0.87 0.08 0.00 0.00 0.00 0.00 46.02 45.23 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 0.88 -2.91 4.61 0.00 -1.90 -3.47 119.26 116.48 2no8 h ALA 28 Ca 0.00 -0.22 0.02 0.00 0.00 0.00 0.00 54.91 54.71 2no8 h ALA 28 Cb 0.00 -0.04 -0.11 0.00 0.00 0.00 0.00 17.79 17.64 2no8 h ALA 28 CO 0.00 0.30 0.25 0.99 0.00 0.00 0.00 179.25 180.80 2no8 s THR 29 N -3.26 0.00 0.28 0.00 2.01 -1.26 -5.00 115.64 108.40 2no8 s THR 29 Ca 0.04 -0.23 0.01 0.00 0.31 0.00 0.00 61.69 61.81 2no8 s THR 29 Cb 0.08 -1.25 0.27 0.00 0.01 0.00 0.00 72.50 71.61 2no8 s THR 29 CO 0.68 0.00 1.83 -0.08 -0.69 0.00 0.00 174.62 176.36 2no8 h GLU 30 N 2.00 0.94 0.00 4.92 4.57 -1.97 0.16 114.58 125.20 2no8 h GLU 30 Ca -0.29 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 57.80 2no8 h GLU 30 Cb 1.29 -0.21 -0.00 0.00 -0.16 0.00 0.00 28.75 29.66 2no8 h GLU 30 CO 0.34 0.62 -0.15 1.05 -1.18 0.00 0.00 179.01 179.69 2no8 h GLU 31 N 0.97 0.00 -0.04 1.92 4.11 -1.97 -0.16 114.58 119.41 2no8 h GLU 31 Ca 0.49 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 59.68 2no8 h GLU 31 Cb 0.48 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.74 2no8 h GLU 31 CO -0.27 0.15 -0.94 0.22 0.07 0.00 0.00 179.01 178.24 2no8 h ASP 32 N 0.00 0.79 0.13 3.06 3.58 -1.07 -0.04 116.42 122.88 2no8 h ASP 32 Ca -0.00 -0.60 -0.01 0.00 0.42 0.00 0.00 57.03 56.84 2no8 h ASP 32 Cb 0.30 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.11 2no8 h ASP 32 CO 0.02 1.40 -0.06 0.44 -2.88 0.00 0.00 179.24 178.15 2no8 h ASP 33 N 0.38 -0.15 -0.96 2.28 5.19 -1.05 -3.25 116.42 118.85 2no8 h ASP 33 Ca -0.09 -0.04 0.07 0.00 -0.62 0.00 0.00 57.03 56.34 2no8 h ASP 33 Cb 1.58 0.04 -0.07 0.00 0.18 0.00 0.00 39.33 41.06 2no8 h ASP 33 CO 0.18 -0.05 0.62 -1.13 -3.12 0.00 0.00 179.24 175.73 2no8 h ASN 34 N -0.24 0.98 0.41 6.45 -0.73 -0.88 -0.96 115.58 120.62 2no8 h ASN 34 Ca -0.02 0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.12 2no8 h ASN 34 Cb 0.19 -0.19 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 2no8 h ASN 34 CO 0.03 0.62 -0.21 0.07 -0.37 0.00 0.00 177.43 177.57 2no8 h LYS 35 N 1.11 0.00 0.03 6.67 2.10 -1.03 0.31 116.57 125.76 2no8 h LYS 35 Ca 0.42 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 59.07 2no8 h LYS 35 Cb 0.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.51 2no8 h LYS 35 CO -0.18 0.21 -0.02 -0.07 -2.00 0.00 0.00 179.45 177.39 2no8 h LEU 36 N 0.00 -0.04 -0.56 7.07 3.38 -1.28 -3.15 115.31 120.74 2no8 h LEU 36 Ca -0.00 -0.61 0.11 0.00 0.09 0.00 0.00 57.88 57.47 2no8 h LEU 36 Cb 0.47 0.01 -0.09 0.00 0.09 0.00 0.00 40.66 41.14 2no8 h LEU 36 CO 0.03 0.61 0.00 0.58 0.09 0.00 0.00 178.44 179.76 2no8 h VAL 37 N -0.72 0.56 -0.81 1.22 2.07 -0.59 -1.75 116.25 116.24 2no8 h VAL 37 Ca -0.00 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.49 2no8 h VAL 37 Cb 0.64 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 2no8 h VAL 37 CO 0.01 0.02 0.53 0.03 0.02 0.00 0.00 177.57 178.18 2no8 h ARG 38 N 0.12 1.04 -0.17 1.57 3.08 -0.50 0.30 114.38 119.83 2no8 h ARG 38 Ca 0.29 -0.06 -0.19 0.00 0.07 0.00 0.00 59.98 60.09 2no8 h ARG 38 Cb 0.44 -0.24 -0.00 0.00 0.08 0.00 0.00 29.97 30.26 2no8 h ARG 38 CO -0.47 0.69 -0.65 1.05 -1.07 0.00 0.00 179.97 179.52 2no8 h GLU 39 N 1.07 0.62 -0.41 0.04 4.11 -1.30 -1.26 114.58 117.46 2no8 h GLU 39 Ca 0.30 -0.45 -0.15 0.00 0.07 0.00 0.00 59.36 59.14 2no8 h GLU 39 Cb -0.10 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 2no8 h GLU 39 CO -0.07 1.07 -0.32 0.74 0.07 0.00 0.00 179.01 180.49 2no8 h PHE 40 N 0.45 1.08 0.00 2.06 0.04 -1.00 -2.50 116.94 117.06 2no8 h PHE 40 Ca -0.02 -0.30 0.00 0.00 2.80 0.00 0.00 57.97 60.46 2no8 h PHE 40 Cb 1.23 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 39.14 2no8 h PHE 40 CO 0.06 1.11 0.00 0.93 -0.60 0.00 0.00 178.31 179.81 2no8 h GLU 41 N 0.76 0.00 0.00 1.51 4.39 -0.27 -1.12 114.58 119.86 2no8 h GLU 41 Ca 0.08 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.62 2no8 h GLU 41 Cb 0.90 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 2no8 h GLU 41 CO 0.08 0.00 -0.91 -0.09 -1.16 0.00 0.00 179.01 176.93 2no8 h ARG 42 N 0.00 0.00 -0.02 2.33 9.65 -0.90 0.55 114.38 125.98 2no8 h ARG 42 Ca 0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2no8 h ARG 42 Cb 0.50 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.08 2no8 h ARG 42 CO 0.00 0.59 -0.08 -0.07 2.80 0.00 0.00 179.97 183.22 2no8 h LEU 43 N 0.00 0.11 0.25 3.80 3.38 -0.89 -3.33 115.31 118.63 2no8 h LEU 43 Ca -0.06 -0.62 -0.34 0.00 0.09 0.00 0.00 57.88 56.96 2no8 h LEU 43 Cb 1.58 -0.03 0.04 0.00 0.09 0.00 0.00 40.66 42.33 2no8 h LEU 43 CO 0.08 0.71 -1.49 0.71 0.09 0.00 0.00 178.44 178.54 2no8 h THR 44 N -0.48 1.27 -2.99 0.22 1.35 -1.34 -3.44 112.91 107.50 2no8 h THR 44 Ca -0.00 -2.71 -0.40 0.00 -0.55 0.00 0.00 66.41 62.75 2no8 h THR 44 Cb 0.70 3.03 -0.01 0.00 -1.73 0.00 0.00 68.15 70.14 2no8 h THR 44 CO 0.02 0.82 -0.52 -0.62 -0.25 0.00 0.00 175.52 174.96 2no8 n GLU 45 N -3.71 -1.87 -2.70 4.72 1.02 0.18 -4.93 120.64 113.36 2no8 n GLU 45 Ca -0.17 0.97 -0.42 0.00 -0.02 0.00 0.00 57.16 57.52 2no8 n GLU 45 Cb 1.10 -5.60 -0.03 0.00 -0.02 0.00 0.00 31.44 26.89 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 -3.02 3.60 0.40 -0.32 2.46 -1.25 -4.92 115.29 112.23 2no8 s HIS 46 Ca 0.02 1.65 0.07 0.00 0.47 0.00 0.00 55.06 57.28 2no8 s HIS 46 Cb -0.01 -3.15 0.83 0.00 -0.13 0.00 0.00 32.58 30.12 2no8 s HIS 46 CO 0.03 -0.11 2.02 -1.00 -2.47 0.00 0.00 174.74 173.21 2no8 h PRO 47 N 6.91 0.60 -0.06 2.88 0.13 -1.95 -0.53 132.00 139.98 2no8 h PRO 47 Ca -0.37 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2no8 h PRO 47 Cb 1.19 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2no8 h PRO 47 CO 0.79 0.40 0.00 -0.25 -0.23 0.00 0.00 178.00 178.71 2no8 n ASP 48 N -4.47 2.48 0.05 1.44 8.00 -1.26 -4.77 116.55 118.01 2no8 n ASP 48 Ca 0.06 -2.65 -0.11 0.00 0.71 0.00 0.00 54.79 52.80 2no8 n ASP 48 Cb 0.14 -0.29 -0.05 0.00 -0.02 0.00 0.00 41.12 40.90 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 0.38 -0.16 1.18 0.44 0.00 -1.47 0.64 103.07 104.09 2no8 h GLY 49 Ca 0.00 0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.42 2no8 h GLY 49 CO 0.03 -0.13 0.14 1.76 0.00 0.00 0.00 176.54 178.33 2no8 h SER 50 N -0.22 0.96 0.23 0.19 0.02 -1.86 -2.34 113.55 110.53 2no8 h SER 50 Ca 0.05 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 60.73 2no8 h SER 50 Cb 0.28 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 2no8 h SER 50 CO -0.13 0.93 -0.28 0.44 -1.14 0.00 0.00 176.83 176.66 2no8 h ASP 51 N 0.96 0.09 -0.75 3.07 3.32 -1.61 -2.54 116.42 118.95 2no8 h ASP 51 Ca 0.20 -0.02 0.06 0.00 0.02 0.00 0.00 57.03 57.29 2no8 h ASP 51 Cb 0.37 -0.02 -0.05 0.00 0.22 0.00 0.00 39.33 39.84 2no8 h ASP 51 CO 0.00 0.37 0.49 -0.07 -1.72 0.00 0.00 179.24 178.32 2no8 h LEU 52 N 0.08 0.71 0.10 1.55 3.38 0.82 0.64 115.31 122.60 2no8 h LEU 52 Ca 0.01 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.69 2no8 h LEU 52 Cb 0.54 -0.15 0.03 0.00 0.09 0.00 0.00 40.66 41.16 2no8 h LEU 52 CO 0.04 0.46 -1.24 0.40 0.09 0.00 0.00 178.44 178.18 2no8 h ILE 53 N 0.80 1.32 0.05 1.22 2.04 -1.48 -3.07 117.51 118.39 2no8 h ILE 53 Ca 0.32 -2.55 -0.12 0.00 1.00 0.00 0.00 64.86 63.51 2no8 h ILE 53 Cb 0.24 2.73 0.01 0.00 -0.74 0.00 0.00 36.82 39.07 2no8 h ILE 53 CO -0.11 0.77 -0.49 1.88 0.00 0.00 0.00 178.15 180.20 2no8 h TYR 54 N 0.24 0.40 -2.78 1.37 0.05 -1.25 -3.43 116.97 111.57 2no8 h TYR 54 Ca -0.18 -0.25 -0.55 0.00 0.05 0.00 0.00 58.73 57.80 2no8 h TYR 54 Cb 1.92 -0.03 -0.40 0.00 1.01 0.00 0.00 36.73 39.23 2no8 h TYR 54 CO 0.11 1.13 -0.79 0.71 -1.05 0.00 0.00 178.16 178.26 2no8 s TYR 55 N -2.76 0.59 -0.46 4.88 2.02 0.22 -5.08 117.35 116.76 2no8 s TYR 55 Ca -0.15 -1.18 -0.27 0.00 -0.37 0.00 0.00 57.07 55.10 2no8 s TYR 55 Cb 0.01 -1.01 -0.07 0.00 -0.40 0.00 0.00 41.96 40.49 2no8 s TYR 55 CO 0.78 -0.83 2.40 -2.30 -1.57 0.00 0.00 175.55 174.03 2no8 n PRO 56 N 4.87 1.15 0.00 -1.71 -0.02 -1.16 -4.12 135.00 134.01 2no8 n PRO 56 Ca -0.01 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.55 2no8 n PRO 56 Cb 0.41 -3.36 0.00 0.00 -0.02 0.00 0.00 33.50 30.53 2no8 n PRO 56 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2no8 n ARG 57 N 8.95 0.00 0.01 -0.52 1.74 -1.26 -4.83 116.66 120.74 2no8 n ARG 57 Ca 0.37 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 2no8 n ARG 57 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 2no8 n ARG 57 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2no8 n ASP 58 N 0.00 0.10 0.10 0.55 2.03 -1.26 -4.87 116.55 113.20 2no8 n ASP 58 Ca 0.00 0.02 0.12 0.00 0.52 0.00 0.00 54.79 55.45 2no8 n ASP 58 Cb 0.00 -0.03 0.28 0.00 -0.72 0.00 0.00 41.12 40.65 2no8 n ASP 58 CO 0.00 0.00 0.00 -2.24 -1.92 0.00 0.00 177.20 173.04 2no8 h ASP 59 N 0.00 0.00 -3.68 1.67 2.03 -2.04 -3.45 116.42 110.95 2no8 h ASP 59 Ca 0.00 -0.08 -0.50 0.00 -0.73 0.00 0.00 57.03 55.72 2no8 h ASP 59 Cb 0.00 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 38.48 2no8 h ASP 59 CO 0.00 0.04 0.36 -0.60 -1.03 0.00 0.00 179.24 178.01 2no8 s ARG 60 N -3.15 4.79 0.52 4.15 6.06 -1.26 -5.00 118.95 125.06 2no8 s ARG 60 Ca 0.08 1.49 -0.23 0.00 -2.50 0.00 0.00 55.73 54.58 2no8 s ARG 60 Cb 0.12 -3.31 -0.06 0.00 0.06 0.00 0.00 34.95 31.76 2no8 s ARG 60 CO 0.66 0.39 1.37 -1.91 -2.50 0.00 0.00 175.30 173.31 2no8 n GLU 61 N 1.98 1.84 -2.99 5.12 4.07 -1.26 -4.68 120.64 124.72 2no8 n GLU 61 Ca -0.00 0.67 -0.44 0.00 -0.06 0.00 0.00 57.16 57.33 2no8 n GLU 61 Cb 0.48 -2.58 -0.00 0.00 -0.06 0.00 0.00 31.44 29.27 2no8 n GLU 61 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2no8 s ASP 62 N -0.79 7.03 0.07 4.31 -1.08 -1.26 -4.42 116.67 120.52 2no8 s ASP 62 Ca 0.69 -2.92 -0.11 0.00 -0.52 0.00 0.00 52.55 49.69 2no8 s ASP 62 Cb -0.43 -2.38 0.01 0.00 -1.46 0.00 0.00 42.92 38.67 2no8 s ASP 62 CO 0.51 -0.74 0.26 -0.94 0.52 0.00 0.00 175.17 174.78 2no8 s SER 63 N 2.77 -0.03 0.29 -0.34 1.04 -1.26 -4.97 113.70 111.20 2no8 s SER 63 Ca 0.39 -0.39 0.03 0.00 0.48 0.00 0.00 55.95 56.46 2no8 s SER 63 Cb -0.04 0.35 0.65 0.00 0.10 0.00 0.00 66.02 67.08 2no8 s SER 63 CO -0.02 -0.67 1.78 -0.65 0.98 0.00 0.00 173.24 174.66 2no8 h PRO 64 N 3.01 0.74 -0.35 4.02 0.11 -1.92 -1.66 132.00 135.95 2no8 h PRO 64 Ca -0.33 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.63 2no8 h PRO 64 Cb 1.20 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2no8 h PRO 64 CO 0.50 0.49 -0.21 1.49 -0.21 0.00 0.00 178.00 180.06 2no8 h GLU 65 N 0.76 0.75 -0.99 1.05 4.81 -1.95 -2.96 114.58 116.05 2no8 h GLU 65 Ca 0.53 -0.35 0.10 0.00 -0.13 0.00 0.00 59.36 59.52 2no8 h GLU 65 Cb 0.76 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.05 2no8 h GLU 65 CO -0.36 0.96 0.63 0.78 -0.73 0.00 0.00 179.01 180.29 2no8 h GLY 66 N 0.53 1.59 0.77 1.92 0.00 -1.56 0.47 103.07 106.80 2no8 h GLY 66 Ca 0.07 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 2no8 h GLY 66 CO 0.06 0.20 0.01 -2.22 0.00 0.00 0.00 176.54 174.59 2no8 h ILE 67 N 1.03 1.23 -0.37 2.60 2.04 -1.35 -2.04 117.51 120.65 2no8 h ILE 67 Ca 0.48 -0.71 0.01 0.00 1.00 0.00 0.00 64.86 65.63 2no8 h ILE 67 Cb 0.40 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 2no8 h ILE 67 CO -0.24 0.20 0.24 0.58 0.00 0.00 0.00 178.15 178.93 2no8 h VAL 68 N -0.10 1.07 -0.73 1.67 2.07 -1.21 -2.05 116.25 116.98 2no8 h VAL 68 Ca 0.03 -0.16 -0.05 0.00 0.82 0.00 0.00 66.70 67.33 2no8 h VAL 68 Cb 0.31 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.61 2no8 h VAL 68 CO 0.00 0.09 0.25 0.50 0.02 0.00 0.00 177.57 178.42 2no8 h LYS 69 N 0.47 1.12 -0.73 1.57 1.63 0.34 0.26 116.57 121.23 2no8 h LYS 69 Ca 0.14 -0.23 -0.02 0.00 -0.85 0.00 0.00 60.65 59.69 2no8 h LYS 69 Cb -0.01 -0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.42 2no8 h LYS 69 CO -0.03 0.95 0.36 0.93 -3.45 0.00 0.00 179.45 178.21 2no8 h GLU 70 N 1.07 1.03 -0.42 1.90 4.39 -0.68 0.24 114.58 122.10 2no8 h GLU 70 Ca 0.24 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.77 2no8 h GLU 70 Cb 0.28 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 2no8 h GLU 70 CO -0.01 0.78 0.12 0.82 -1.16 0.00 0.00 179.01 179.57 2no8 h ILE 71 N 1.03 1.22 0.82 3.13 1.08 -0.80 -1.22 117.51 122.77 2no8 h ILE 71 Ca 0.25 -0.75 -0.04 0.00 -0.39 0.00 0.00 64.86 63.93 2no8 h ILE 71 Cb 0.08 0.91 0.01 0.00 -3.07 0.00 0.00 36.82 34.75 2no8 h ILE 71 CO -0.03 0.27 -0.39 0.11 -0.69 0.00 0.00 178.15 177.41 2no8 h LYS 72 N 0.55 -1.06 -0.52 2.37 1.57 0.01 -0.18 116.57 119.30 2no8 h LYS 72 Ca 0.14 0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 2no8 h LYS 72 Cb 0.28 0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 2no8 h LYS 72 CO -0.00 -0.70 0.22 0.93 -0.57 0.00 0.00 179.45 179.32 2no8 h GLU 73 N -1.27 0.74 0.13 3.15 5.08 -0.55 0.33 114.58 122.18 2no8 h GLU 73 Ca -0.11 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 2no8 h GLU 73 Cb 0.85 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2no8 h GLU 73 CO 0.18 0.60 -0.06 2.35 -1.00 0.00 0.00 179.01 181.08 2no8 h TRP 74 N 0.74 -0.16 -0.41 4.33 7.01 -1.27 -2.93 115.95 123.25 2no8 h TRP 74 Ca 0.18 -0.00 -0.11 0.00 2.11 0.00 0.00 58.89 61.07 2no8 h TRP 74 Cb 0.13 0.05 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 2no8 h TRP 74 CO 0.01 0.28 -0.18 0.00 -2.79 0.00 0.00 178.44 175.76 2no8 h ARG 75 N -0.91 0.78 0.00 2.65 3.08 -0.70 0.31 114.38 119.60 2no8 h ARG 75 Ca -0.02 -0.29 -0.08 0.00 0.07 0.00 0.00 59.98 59.66 2no8 h ARG 75 Cb 0.52 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.51 2no8 h ARG 75 CO 0.03 0.90 -0.37 0.00 -1.07 0.00 0.00 179.97 179.46 2no8 h ALA 76 N 1.11 1.09 0.00 0.04 0.00 -0.49 0.49 119.26 121.50 2no8 h ALA 76 Ca 0.10 -0.33 -0.22 0.00 0.00 0.00 0.00 54.91 54.46 2no8 h ALA 76 Cb 0.68 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2no8 h ALA 76 CO 0.05 0.46 -1.19 0.00 0.00 0.00 0.00 179.25 178.57 2no8 h ALA 77 N 1.63 0.54 0.00 0.00 0.00 -1.20 -3.21 119.26 117.02 2no8 h ALA 77 Ca -0.00 -1.02 0.00 0.00 0.00 0.00 0.00 54.91 53.89 2no8 h ALA 77 Cb 0.81 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2no8 h ALA 77 CO 0.05 1.25 0.00 0.09 0.00 0.00 0.00 179.25 180.63 2no8 n ASN 78 N -3.20 0.44 -0.84 0.00 5.03 0.04 -4.90 115.26 111.83 2no8 n ASN 78 Ca -0.06 0.56 -0.05 0.00 0.87 0.00 0.00 54.58 55.90 2no8 n ASN 78 Cb 0.94 -0.67 0.01 0.00 -1.02 0.00 0.00 39.78 39.04 2no8 n ASN 78 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2no8 n GLY 79 N 1.04 0.39 2.88 7.41 0.00 -0.79 -5.04 105.19 111.07 2no8 n GLY 79 Ca 0.05 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 2no8 n GLY 79 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2no8 n LYS 80 N -1.47 0.29 -1.16 1.61 5.02 0.10 -5.04 118.16 117.50 2no8 n LYS 80 Ca -0.03 -2.12 -0.30 0.00 -2.02 0.00 0.00 58.31 53.85 2no8 n LYS 80 Cb 0.53 -0.39 0.15 0.00 -0.02 0.00 0.00 35.03 35.30 2no8 n LYS 80 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2no8 s SER 81 N -3.89 3.27 0.42 4.39 0.15 -1.26 -4.74 113.70 112.04 2no8 s SER 81 Ca 0.48 1.48 0.04 0.00 0.70 0.00 0.00 55.95 58.64 2no8 s SER 81 Cb -0.03 -2.16 -0.02 0.00 -1.71 0.00 0.00 66.02 62.10 2no8 s SER 81 CO 0.31 -2.77 0.12 -0.83 1.20 0.00 0.00 173.24 171.27 2no8 s GLY 82 N -3.36 2.68 0.52 9.45 0.00 -1.26 -4.75 107.32 110.60 2no8 s GLY 82 Ca 0.64 -1.12 -0.03 0.00 0.00 0.00 0.00 44.72 44.22 2no8 s GLY 82 CO 0.57 -1.88 0.79 -1.36 0.00 0.00 0.00 173.10 171.22 2no8 s PHE 83 N -3.16 3.21 0.38 1.90 0.08 -1.26 -3.93 117.98 115.20 2no8 s PHE 83 Ca 0.21 0.40 -0.21 0.00 0.12 0.00 0.00 56.93 57.46 2no8 s PHE 83 Cb 0.02 -2.54 -0.10 0.00 -0.57 0.00 0.00 43.02 39.83 2no8 s PHE 83 CO 0.13 -0.61 0.90 0.21 -0.10 0.00 0.00 175.22 175.74 2no8 s LYS 84 N -4.77 4.25 -0.47 0.44 2.20 0.51 -4.87 119.74 117.02 2no8 s LYS 84 Ca 0.52 1.06 0.02 0.00 -0.36 0.00 0.00 55.97 57.20 2no8 s LYS 84 Cb -0.10 -2.37 0.12 0.00 -1.51 0.00 0.00 37.83 33.97 2no8 s LYS 84 CO 0.41 0.08 0.22 1.14 -0.36 0.00 0.00 175.35 176.84 2no8 s GLN 85 N -2.89 1.92 0.00 4.03 0.00 -1.26 -3.24 119.66 118.22 2no8 s GLN 85 Ca 0.58 -2.30 0.00 0.00 -0.00 0.00 0.00 55.36 53.63 2no8 s GLN 85 Cb -0.11 -3.38 0.00 0.00 0.00 0.00 0.00 33.01 29.52 2no8 s GLN 85 CO 0.16 -1.07 0.00 0.41 0.00 0.00 0.00 175.29 174.79