#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1m12 s ASP 2 N 0.00 5.36 0.17 6.43 2.15 -1.26 -4.82 116.67 124.71 1m12 s ASP 2 Ca 0.00 0.37 0.12 0.00 0.43 0.00 0.00 52.55 53.47 1m12 s ASP 2 Cb 0.00 -2.53 0.64 0.00 -0.30 0.00 0.00 42.92 40.73 1m12 s ASP 2 CO 0.00 -2.30 1.37 1.33 -0.17 0.00 0.00 175.17 175.40 1m12 n VAL 3 N 7.19 1.45 -0.02 1.11 0.24 -1.26 -2.67 118.33 124.36 1m12 n VAL 3 Ca 0.20 0.60 -0.16 0.00 -2.04 0.00 0.00 64.34 62.94 1m12 n VAL 3 Cb 0.52 -1.59 -0.09 0.00 -1.47 0.00 0.00 33.84 31.20 1m12 n VAL 3 CO 0.00 0.00 0.00 1.88 -2.14 0.00 0.00 176.83 176.57 1m12 h TYR 4 N 0.00 0.57 -0.73 6.34 0.05 -1.92 -3.01 116.97 118.28 1m12 h TYR 4 Ca 0.00 -0.26 0.02 0.00 0.05 0.00 0.00 58.73 58.53 1m12 h TYR 4 Cb 0.02 -0.08 -0.04 0.00 1.01 0.00 0.00 36.73 37.64 1m12 h TYR 4 CO 0.00 1.03 0.48 0.00 -1.05 0.00 0.00 178.16 178.62 1m12 h GLU 6 N 0.96 0.81 -0.20 0.00 4.22 -1.64 -2.25 114.58 116.48 1m12 h GLU 6 Ca 0.28 -0.05 -0.17 0.00 0.08 0.00 0.00 59.36 59.50 1m12 h GLU 6 Cb -0.07 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.00 1m12 h GLU 6 CO -0.08 0.54 -0.54 0.28 -2.18 0.00 0.00 179.01 177.03 1m12 h VAL 7 N 0.84 1.31 -0.94 0.32 2.07 -1.28 -2.13 116.25 116.44 1m12 h VAL 7 Ca 0.32 -1.76 0.02 0.00 0.82 0.00 0.00 66.70 66.09 1m12 h VAL 7 Cb 0.13 1.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 1m12 h VAL 7 CO -0.16 0.56 0.62 0.00 0.02 0.00 0.00 177.57 178.61 1m12 h GLU 9 N 1.25 0.00 -0.11 0.00 4.39 -1.41 -1.82 114.58 116.88 1m12 h GLU 9 Ca 0.35 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 60.01 1m12 h GLU 9 Cb -0.11 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1m12 h GLU 9 CO -0.08 0.70 -0.08 0.35 -1.16 0.00 0.00 179.01 178.73 1m12 h PHE 10 N 0.00 0.30 -0.54 4.33 3.57 -0.48 0.06 116.94 124.18 1m12 h PHE 10 Ca -0.01 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 1m12 h PHE 10 Cb 1.26 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.91 1m12 h PHE 10 CO 0.00 0.64 0.28 -0.07 -2.23 0.00 0.00 178.31 176.93 1m12 h LEU 11 N -0.13 0.69 -0.18 0.59 3.38 -0.99 0.29 115.31 118.96 1m12 h LEU 11 Ca 0.02 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1m12 h LEU 11 Cb 0.58 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1m12 h LEU 11 CO 0.02 0.60 0.12 0.58 0.09 0.00 0.00 178.44 179.85 1m12 h VAL 12 N 0.72 1.04 -0.49 1.22 2.07 -1.26 0.70 116.25 120.26 1m12 h VAL 12 Ca 0.19 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.64 1m12 h VAL 12 Cb 0.08 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1m12 h VAL 12 CO -0.03 0.04 0.31 0.50 0.02 0.00 0.00 177.57 178.42 1m12 h LYS 13 N 0.24 0.61 -0.31 1.57 3.64 -0.62 0.99 116.57 122.70 1m12 h LYS 13 Ca 0.07 -0.04 -0.14 0.00 -1.27 0.00 0.00 60.65 59.27 1m12 h LYS 13 Cb -0.03 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 1m12 h LYS 13 CO -0.02 0.40 -0.39 1.49 -2.27 0.00 0.00 179.45 178.67 1m12 h GLU 14 N 0.63 0.73 -0.19 1.90 4.22 -0.56 -2.83 114.58 118.48 1m12 h GLU 14 Ca 0.19 -0.37 -0.08 0.00 0.08 0.00 0.00 59.36 59.17 1m12 h GLU 14 Cb -0.04 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.22 1m12 h GLU 14 CO -0.06 0.99 -0.20 0.28 -2.18 0.00 0.00 179.01 177.84 1m12 h VAL 15 N 0.60 1.34 -0.64 0.32 2.07 0.87 -2.65 116.25 118.16 1m12 h VAL 15 Ca 0.05 -1.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 1m12 h VAL 15 Cb 0.93 1.81 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 1m12 h VAL 15 CO 0.08 0.41 0.30 0.71 0.02 0.00 0.00 177.57 179.10 1m12 h THR 16 N 0.12 1.21 -0.24 2.57 1.35 -0.81 0.32 112.91 117.43 1m12 h THR 16 Ca 0.03 -0.60 -0.03 0.00 -0.55 0.00 0.00 66.41 65.26 1m12 h THR 16 Cb 0.75 0.40 -0.01 0.00 -1.73 0.00 0.00 68.15 67.55 1m12 h THR 16 CO 0.05 0.25 -0.00 0.50 -0.25 0.00 0.00 175.52 176.06 1m12 h LYS 17 N 0.90 0.35 -0.16 4.72 3.64 -1.45 0.87 116.57 125.45 1m12 h LYS 17 Ca 0.22 -0.06 -0.15 0.00 -1.27 0.00 0.00 60.65 59.39 1m12 h LYS 17 Cb 0.10 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1m12 h LYS 17 CO -0.03 0.38 -0.54 -0.07 -2.27 0.00 0.00 179.45 176.92 1m12 h LEU 18 N 0.34 0.52 -0.60 5.20 3.38 -0.54 0.74 115.31 124.35 1m12 h LEU 18 Ca 0.08 -0.27 -0.15 0.00 0.09 0.00 0.00 57.88 57.62 1m12 h LEU 18 Cb 0.24 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 1m12 h LEU 18 CO 0.01 0.96 -0.61 0.40 0.09 0.00 0.00 178.44 179.28 1m12 h ILE 19 N 0.36 1.38 0.00 1.22 2.04 0.14 -2.77 117.51 119.88 1m12 h ILE 19 Ca 0.01 -1.98 -0.04 0.00 1.00 0.00 0.00 64.86 63.85 1m12 h ILE 19 Cb 1.06 1.99 -0.01 0.00 -0.74 0.00 0.00 36.82 39.12 1m12 h ILE 19 CO 0.10 0.59 -0.20 0.44 0.00 0.00 0.00 178.15 179.08 1m12 h ASP 20 N 0.22 0.00 -0.05 1.72 3.32 0.11 -2.94 116.42 118.81 1m12 h ASP 20 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1m12 h ASP 20 Cb 1.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.68 1m12 h ASP 20 CO 0.10 0.20 0.00 -3.20 -1.72 0.00 0.00 179.24 174.62 1m12 n ASN 21 N -3.23 1.38 -0.55 6.45 5.15 0.21 -4.94 115.26 119.73 1m12 n ASN 21 Ca 0.02 -1.50 0.00 0.00 -0.60 0.00 0.00 54.58 52.49 1m12 n ASN 21 Cb 0.51 -0.02 0.00 0.00 -0.53 0.00 0.00 39.78 39.73 1m12 n ASN 21 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1m12 n ASN 22 N 0.09 -1.88 -4.91 1.20 5.15 -1.11 -5.07 115.26 108.72 1m12 n ASN 22 Ca 0.19 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.86 1m12 n ASN 22 Cb 0.32 -0.47 -0.04 0.00 -0.53 0.00 0.00 39.78 39.06 1m12 n ASN 22 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1m12 s LYS 23 N -4.54 3.55 0.83 1.20 1.02 -1.09 -5.07 119.74 115.64 1m12 s LYS 23 Ca 0.00 -0.25 -0.12 0.00 0.02 0.00 0.00 55.97 55.62 1m12 s LYS 23 Cb 0.00 -2.90 0.10 0.00 -0.52 0.00 0.00 37.83 34.51 1m12 s LYS 23 CO 0.00 0.49 1.19 0.95 -0.92 0.00 0.00 175.35 177.06 1m12 s THR 24 N -1.67 2.00 0.14 2.17 -4.23 -1.26 -4.83 115.64 107.95 1m12 s THR 24 Ca 0.39 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.74 1m12 s THR 24 Cb -0.12 -2.98 -0.00 0.00 1.34 0.00 0.00 72.50 70.74 1m12 s THR 24 CO 0.27 0.00 1.70 -0.08 -0.54 0.00 0.00 174.62 175.96 1m12 h GLU 25 N -1.15 0.59 -0.59 3.99 4.81 -2.00 -2.39 114.58 117.83 1m12 h GLU 25 Ca -0.46 -0.10 0.11 0.00 -0.13 0.00 0.00 59.36 58.79 1m12 h GLU 25 Cb 1.32 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.57 1m12 h GLU 25 CO 0.63 0.53 0.40 -0.22 -0.73 0.00 0.00 179.01 179.63 1m12 h LYS 26 N 0.51 0.31 0.04 1.92 1.63 -2.00 -1.75 116.57 117.22 1m12 h LYS 26 Ca 0.14 -0.02 -0.25 0.00 -0.85 0.00 0.00 60.65 59.67 1m12 h LYS 26 Cb 0.15 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 31.72 1m12 h LYS 26 CO -0.01 0.20 -1.04 0.93 -3.45 0.00 0.00 179.45 176.08 1m12 h GLU 27 N 0.32 0.43 -0.68 1.90 4.39 -1.81 -2.24 114.58 116.89 1m12 h GLU 27 Ca 0.28 -0.52 -0.06 0.00 0.34 0.00 0.00 59.36 59.40 1m12 h GLU 27 Cb 0.67 0.16 -0.03 0.00 -0.10 0.00 0.00 28.75 29.45 1m12 h GLU 27 CO -0.07 1.18 0.20 0.82 -1.16 0.00 0.00 179.01 179.98 1m12 h ILE 28 N 0.22 1.25 0.00 3.13 2.04 -1.00 -0.20 117.51 122.95 1m12 h ILE 28 Ca -0.11 -0.89 -0.12 0.00 1.00 0.00 0.00 64.86 64.74 1m12 h ILE 28 Cb 1.70 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1m12 h ILE 28 CO 0.18 0.35 -0.58 -0.07 0.00 0.00 0.00 178.15 178.03 1m12 h LEU 29 N 1.02 0.00 -0.22 1.44 3.38 -1.48 -2.57 115.31 116.87 1m12 h LEU 29 Ca 0.22 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.12 1m12 h LEU 29 Cb 0.31 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.06 1m12 h LEU 29 CO -0.01 0.58 -0.15 -0.78 0.09 0.00 0.00 178.44 178.18 1m12 h ASP 30 N 0.00 0.50 0.60 -0.43 1.82 -0.72 -3.01 116.42 115.19 1m12 h ASP 30 Ca -0.01 -0.44 -0.04 0.00 -0.39 0.00 0.00 57.03 56.15 1m12 h ASP 30 Cb 1.15 -0.14 -0.01 0.00 0.68 0.00 0.00 39.33 41.01 1m12 h ASP 30 CO 0.08 0.83 -0.20 0.00 -1.61 0.00 0.00 179.24 178.34 1m12 h ALA 31 N 0.68 1.17 0.00 -0.78 0.00 -0.99 -2.51 119.26 116.83 1m12 h ALA 31 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1m12 h ALA 31 Cb 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1m12 h ALA 31 CO 0.04 0.25 0.15 1.19 0.00 0.00 0.00 179.25 180.88 1m12 n PHE 32 N -3.57 0.00 0.25 0.00 3.01 -0.98 0.13 117.46 116.29 1m12 n PHE 32 Ca -0.01 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.57 1m12 n PHE 32 Cb 0.34 -0.30 0.12 0.00 -0.01 0.00 0.00 39.48 39.63 1m12 n PHE 32 CO 0.00 0.00 0.00 0.22 1.01 0.00 0.00 176.76 177.99 1m12 h ASP 33 N 0.00 0.00 0.00 4.37 1.82 -1.62 -3.35 116.42 117.64 1m12 h ASP 33 Ca 0.00 -0.03 0.00 0.00 -0.39 0.00 0.00 57.03 56.61 1m12 h ASP 33 Cb 0.31 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.32 1m12 h ASP 33 CO 0.00 0.01 -0.05 2.29 -1.61 0.00 0.00 179.24 179.89 1m12 n LYS 34 N -2.74 1.19 0.08 0.28 2.85 0.12 -4.80 118.16 115.14 1m12 n LYS 34 Ca 0.02 -1.06 -0.22 0.00 -1.05 0.00 0.00 58.31 56.00 1m12 n LYS 34 Cb 0.52 -0.76 -0.15 0.00 -0.65 0.00 0.00 35.03 33.99 1m12 n LYS 34 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 1m12 h MET 35 N 0.00 0.38 0.00 -1.58 4.05 -1.36 -2.88 114.93 113.53 1m12 h MET 35 Ca 0.00 -0.65 0.00 0.00 -0.28 0.00 0.00 59.70 58.77 1m12 h MET 35 Cb 0.86 0.24 0.00 0.00 -0.80 0.00 0.00 31.60 31.90 1m12 h MET 35 CO 0.00 1.31 0.00 0.00 0.23 0.00 0.00 176.91 178.45 1m12 n SER 37 N -1.19 0.83 -0.12 0.00 7.64 -1.09 -3.28 113.62 116.42 1m12 n SER 37 Ca 0.04 -2.03 0.01 0.00 1.01 0.00 0.00 58.87 57.90 1m12 n SER 37 Cb 0.04 -0.19 0.02 0.00 -1.01 0.00 0.00 64.21 63.08 1m12 n SER 37 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1m12 n LYS 38 N -0.13 1.63 -4.77 1.43 5.02 -0.54 -5.01 118.16 115.79 1m12 n LYS 38 Ca 0.04 -1.25 -0.31 0.00 -2.02 0.00 0.00 58.31 54.76 1m12 n LYS 38 Cb 0.16 -1.05 -0.13 0.00 -0.02 0.00 0.00 35.03 33.99 1m12 n LYS 38 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1m12 s LEU 39 N -0.70 2.62 0.93 -0.35 1.43 -1.21 -5.10 118.68 116.31 1m12 s LEU 39 Ca 0.04 -0.35 -0.15 0.00 -1.03 0.00 0.00 54.13 52.64 1m12 s LEU 39 Cb 0.02 -1.53 -0.07 0.00 0.03 0.00 0.00 46.19 44.64 1m12 s LEU 39 CO 0.03 0.29 -0.23 -2.65 0.23 0.00 0.00 176.35 174.02 1m12 n PRO 40 N 1.84 -0.08 0.21 1.29 -0.02 -1.26 -4.75 135.00 132.22 1m12 n PRO 40 Ca -0.16 -0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.46 1m12 n PRO 40 Cb 0.52 -1.37 0.70 0.00 -0.02 0.00 0.00 33.50 33.33 1m12 n PRO 40 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1m12 h LYS 41 N -1.09 0.00 0.00 -0.52 3.64 -1.99 -2.88 116.57 113.73 1m12 h LYS 41 Ca -0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1m12 h LYS 41 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1m12 h LYS 41 CO 0.30 0.00 0.00 0.45 -2.27 0.00 0.00 179.45 177.93 1m12 n SER 42 N -2.54 0.64 -0.24 4.20 2.88 -1.26 -2.71 113.62 114.59 1m12 n SER 42 Ca -0.00 0.64 0.03 0.00 -1.33 0.00 0.00 58.87 58.21 1m12 n SER 42 Cb 0.14 -0.78 0.02 0.00 -0.75 0.00 0.00 64.21 62.84 1m12 n SER 42 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1m12 n LEU 43 N -2.19 1.44 0.00 2.46 4.77 -1.09 -4.80 117.00 117.60 1m12 n LEU 43 Ca 0.03 -0.96 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 1m12 n LEU 43 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1m12 n LEU 43 CO 0.21 0.30 0.41 -0.24 -1.33 0.00 0.00 177.39 176.74 1m12 n SER 44 N 0.25 0.00 -0.01 -1.43 2.88 -1.10 -2.85 113.62 111.36 1m12 n SER 44 Ca 0.04 0.83 -0.09 0.00 -1.33 0.00 0.00 58.87 58.31 1m12 n SER 44 Cb 0.16 -0.40 -0.03 0.00 -0.75 0.00 0.00 64.21 63.19 1m12 n SER 44 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1m12 h GLU 45 N 0.00 -0.25 -0.08 -1.46 4.39 -1.87 -1.82 114.58 113.50 1m12 h GLU 45 Ca 0.00 0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.74 1m12 h GLU 45 Cb 0.00 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1m12 h GLU 45 CO 0.00 -0.17 0.17 0.93 -1.16 0.00 0.00 179.01 178.79 1m12 h GLU 46 N -0.26 0.00 0.11 2.33 3.07 -1.89 -0.04 114.58 117.90 1m12 h GLU 46 Ca 0.11 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.77 1m12 h GLU 46 Cb 0.41 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.35 1m12 h GLU 46 CO -0.30 0.00 -0.83 0.00 -1.40 0.00 0.00 179.01 176.48 1m12 h GLN 48 N -0.22 0.49 -0.50 0.00 5.75 -0.72 0.69 115.11 120.60 1m12 h GLN 48 Ca -0.14 -0.03 -0.13 0.00 -0.15 0.00 0.00 58.65 58.21 1m12 h GLN 48 Cb 1.61 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 30.03 1m12 h GLN 48 CO 0.16 0.32 -0.19 0.93 -2.65 0.00 0.00 178.83 177.40 1m12 h GLU 49 N 0.51 1.01 0.15 1.69 4.39 -1.50 0.93 114.58 121.75 1m12 h GLU 49 Ca 0.36 -0.42 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1m12 h GLU 49 Cb 0.45 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1m12 h GLU 49 CO -0.32 1.10 -0.07 0.28 -1.16 0.00 0.00 179.01 178.84 1m12 h VAL 50 N 0.87 0.99 0.36 3.13 2.07 -0.80 -0.68 116.25 122.20 1m12 h VAL 50 Ca 0.12 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.73 1m12 h VAL 50 Cb 0.77 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1m12 h VAL 50 CO 0.06 0.20 -0.17 0.58 0.02 0.00 0.00 177.57 178.26 1m12 h VAL 51 N -0.65 0.65 -0.57 2.57 2.07 0.33 0.83 116.25 121.48 1m12 h VAL 51 Ca -0.02 -0.06 -0.04 0.00 0.82 0.00 0.00 66.70 67.41 1m12 h VAL 51 Cb 0.48 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1m12 h VAL 51 CO 0.03 0.01 0.21 0.44 0.02 0.00 0.00 177.57 178.29 1m12 h ASP 52 N -0.52 0.80 0.18 0.57 5.19 -0.89 0.28 116.42 122.03 1m12 h ASP 52 Ca -0.05 -0.18 -0.35 0.00 -0.62 0.00 0.00 57.03 55.83 1m12 h ASP 52 Cb 0.39 -0.21 0.01 0.00 0.18 0.00 0.00 39.33 39.70 1m12 h ASP 52 CO 0.08 0.76 -1.76 0.74 -3.12 0.00 0.00 179.24 175.94 1m12 h THR 53 N 0.78 0.92 -0.51 0.35 2.02 -1.11 -3.38 112.91 111.99 1m12 h THR 53 Ca 0.19 -2.49 -0.28 0.00 0.77 0.00 0.00 66.41 64.59 1m12 h THR 53 Cb 0.22 2.75 -0.17 0.00 -1.74 0.00 0.00 68.15 69.21 1m12 h THR 53 CO -0.01 0.86 0.02 -1.22 0.37 0.00 0.00 175.52 175.54 1m12 n TYR 54 N -3.60 1.61 -0.06 3.16 4.02 0.29 -4.74 117.16 117.83 1m12 n TYR 54 Ca -0.25 -1.78 -0.05 0.00 -0.01 0.00 0.00 57.90 55.81 1m12 n TYR 54 Cb 1.07 -0.61 -0.05 0.00 -0.02 0.00 0.00 39.34 39.73 1m12 n TYR 54 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1m12 h GLY 55 N 1.13 0.00 2.00 2.72 0.00 -0.40 -2.60 103.07 105.92 1m12 h GLY 55 Ca 0.32 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.59 1m12 h GLY 55 CO 0.59 0.00 -0.27 1.76 0.00 0.00 0.00 176.54 178.62 1m12 h SER 56 N -1.00 0.00 -0.01 0.19 0.02 -1.85 -2.47 113.55 108.43 1m12 h SER 56 Ca -0.01 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.87 1m12 h SER 56 Cb 0.39 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.94 1m12 h SER 56 CO -0.00 0.27 -0.27 0.77 -1.14 0.00 0.00 176.83 176.46 1m12 h SER 57 N 0.00 0.25 0.49 3.07 4.64 -1.87 -0.55 113.55 119.58 1m12 h SER 57 Ca -0.00 -0.76 -0.02 0.00 -0.47 0.00 0.00 61.79 60.55 1m12 h SER 57 Cb 0.49 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1m12 h SER 57 CO 0.04 0.97 -0.35 0.40 -0.87 0.00 0.00 176.83 177.02 1m12 h ILE 58 N -0.45 0.29 -0.07 0.95 2.04 -1.42 -0.99 117.51 117.86 1m12 h ILE 58 Ca -0.03 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.85 1m12 h ILE 58 Cb 1.01 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1m12 h ILE 58 CO 0.05 0.00 0.10 0.25 0.00 0.00 0.00 178.15 178.55 1m12 h LEU 59 N -0.82 0.00 0.13 1.44 5.85 -1.54 -1.90 115.31 118.48 1m12 h LEU 59 Ca -0.05 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.38 1m12 h LEU 59 Cb 0.68 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.72 1m12 h LEU 59 CO 0.02 0.00 -1.32 0.28 -0.34 0.00 0.00 178.44 177.09 1m12 h SER 60 N 0.00 0.44 -0.14 1.25 0.02 0.16 -3.34 113.55 111.93 1m12 h SER 60 Ca 0.03 -0.50 -0.05 0.00 -0.84 0.00 0.00 61.79 60.44 1m12 h SER 60 Cb 0.22 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 1m12 h SER 60 CO -0.00 1.39 -0.11 0.40 -1.14 0.00 0.00 176.83 177.37 1m12 h ILE 61 N 0.08 1.34 -1.14 3.27 2.04 -0.49 -3.12 117.51 119.48 1m12 h ILE 61 Ca -0.16 -1.24 0.32 0.00 1.00 0.00 0.00 64.86 64.78 1m12 h ILE 61 Cb 1.99 1.84 -0.09 0.00 -0.74 0.00 0.00 36.82 39.82 1m12 h ILE 61 CO 0.20 0.36 0.76 -0.07 0.00 0.00 0.00 178.15 179.40 1m12 h LEU 62 N -0.04 0.29 -0.22 1.44 3.38 -1.57 0.82 115.31 119.42 1m12 h LEU 62 Ca 0.03 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1m12 h LEU 62 Cb 0.62 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1m12 h LEU 62 CO 0.03 0.01 0.00 0.18 0.09 0.00 0.00 178.44 178.75 1m12 n LEU 63 N -4.52 0.76 -1.38 1.67 4.77 -1.18 -3.15 117.00 113.96 1m12 n LEU 63 Ca 0.28 0.60 -0.07 0.00 -0.03 0.00 0.00 56.01 56.79 1m12 n LEU 63 Cb 1.09 -0.40 0.06 0.00 -2.33 0.00 0.00 43.42 41.84 1m12 n LEU 63 CO 0.28 -0.30 0.75 -0.62 -1.33 0.00 0.00 177.39 176.17 1m12 n GLU 64 N -2.25 1.43 -2.68 3.23 -0.58 0.29 -4.82 120.64 115.26 1m12 n GLU 64 Ca 0.05 -0.97 -0.13 0.00 -0.42 0.00 0.00 57.16 55.69 1m12 n GLU 64 Cb 0.37 -1.39 -0.00 0.00 -0.57 0.00 0.00 31.44 29.84 1m12 n GLU 64 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1m12 n GLU 65 N -0.02 -2.62 -3.44 3.49 1.02 -1.19 -4.93 120.64 112.94 1m12 n GLU 65 Ca 0.19 0.46 -0.35 0.00 -0.02 0.00 0.00 57.16 57.45 1m12 n GLU 65 Cb 0.87 -5.07 -0.06 0.00 -0.02 0.00 0.00 31.44 27.16 1m12 n GLU 65 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1m12 s VAL 66 N -2.59 4.95 0.47 2.62 1.01 -1.26 -5.03 120.40 120.56 1m12 s VAL 66 Ca 0.10 0.66 -0.23 0.00 0.00 0.00 0.00 61.98 62.50 1m12 s VAL 66 Cb -0.05 -3.69 -0.08 0.00 0.00 0.00 0.00 36.38 32.55 1m12 s VAL 66 CO 0.12 0.22 1.17 -1.20 0.00 0.00 0.00 175.10 175.41 1m12 n SER 67 N 0.72 1.96 -0.07 3.32 7.64 -1.26 -4.81 113.62 121.11 1m12 n SER 67 Ca -0.05 1.02 0.01 0.00 1.01 0.00 0.00 58.87 60.86 1m12 n SER 67 Cb 0.52 -1.46 0.31 0.00 -1.01 0.00 0.00 64.21 62.57 1m12 n SER 67 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 1m12 h PRO 68 N 1.59 0.69 0.00 1.43 0.13 -1.97 -2.50 132.00 131.37 1m12 h PRO 68 Ca -0.48 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.55 1m12 h PRO 68 Cb 1.32 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 32.31 1m12 h PRO 68 CO 0.57 0.54 -0.10 1.49 -0.23 0.00 0.00 178.00 180.27 1m12 h GLU 69 N 0.70 0.00 0.00 0.86 4.57 -2.00 -2.80 114.58 115.91 1m12 h GLU 69 Ca 0.17 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.35 1m12 h GLU 69 Cb 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 1m12 h GLU 69 CO -0.02 0.10 0.00 -0.07 -1.18 0.00 0.00 179.01 177.84 1m12 h LEU 70 N 0.00 0.00 0.43 1.64 3.38 -1.80 -3.22 115.31 115.74 1m12 h LEU 70 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 1m12 h LEU 70 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1m12 h LEU 70 CO 0.01 0.00 -0.21 0.58 0.09 0.00 0.00 178.44 178.92 1m12 h VAL 71 N 0.00 0.48 0.00 1.22 2.07 -1.54 0.58 116.25 119.06 1m12 h VAL 71 Ca 0.00 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1m12 h VAL 71 Cb 0.42 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1m12 h VAL 71 CO 0.00 0.07 -0.15 0.00 0.02 0.00 0.00 177.57 177.51 1m12 h SER 73 N 0.00 0.84 -0.19 0.00 0.87 -1.57 -2.48 113.55 111.02 1m12 h SER 73 Ca -0.00 -0.73 -0.20 0.00 -1.23 0.00 0.00 61.79 59.62 1m12 h SER 73 Cb 0.34 -0.26 0.01 0.00 -0.44 0.00 0.00 62.40 62.05 1m12 h SER 73 CO 0.02 1.54 -0.67 0.24 -0.53 0.00 0.00 176.83 177.43 1m12 h MET 74 N 0.31 0.79 -0.41 2.24 2.86 -0.58 -3.04 114.93 117.10 1m12 h MET 74 Ca -0.16 -0.59 0.00 0.00 -2.06 0.00 0.00 59.70 56.89 1m12 h MET 74 Cb 1.81 0.11 0.00 0.00 0.06 0.00 0.00 31.60 33.58 1m12 h MET 74 CO 0.22 1.21 0.00 1.28 1.06 0.00 0.00 176.91 180.68 1m12 n LEU 75 N -4.00 0.41 -1.18 1.22 4.77 -0.82 -4.75 117.00 112.64 1m12 n LEU 75 Ca -0.07 -0.20 -0.07 0.00 -0.03 0.00 0.00 56.01 55.64 1m12 n LEU 75 Cb 0.69 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 1m12 n LEU 75 CO 0.51 0.10 -0.07 1.41 -1.33 0.00 0.00 177.39 178.01 1m12 n HIS 76 N -0.03 -0.61 0.66 -1.77 8.25 -1.15 -4.68 115.22 115.89 1m12 n HIS 76 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 1m12 n HIS 76 Cb 0.10 -1.89 0.36 0.00 1.12 0.00 0.00 29.99 29.68 1m12 n HIS 76 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1m12 n LEU 77 N -1.46 0.71 -3.65 2.41 7.94 -1.14 -4.22 117.00 117.58 1m12 n LEU 77 Ca -0.07 0.46 -0.27 0.00 -1.11 0.00 0.00 56.01 55.01 1m12 n LEU 77 Cb 0.25 -0.30 -0.11 0.00 0.53 0.00 0.00 43.42 43.80 1m12 n LEU 77 CO 0.11 -0.12 -0.16 0.00 -1.11 0.00 0.00 177.39 176.11 1m12 n SER 79 N 2.31 -2.86 -0.69 0.00 2.88 -1.26 -4.73 113.62 109.27 1m12 n SER 79 Ca 0.25 -0.33 0.00 0.00 -1.33 0.00 0.00 58.87 57.46 1m12 n SER 79 Cb 0.41 -0.85 0.00 0.00 -0.75 0.00 0.00 64.21 63.02 1m12 n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1m12 n GLY 80 N 2.26 5.45 2.26 0.46 0.00 -1.26 -4.96 105.19 109.40 1m12 n GLY 80 Ca 0.04 -2.09 -0.19 0.00 0.00 0.00 0.00 46.02 43.79 1m12 n GLY 80 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1m12 n LEU 81 N 0.00 5.33 -2.08 0.99 0.00 -1.26 -4.88 117.00 115.10 1m12 n LEU 81 Ca 0.00 -3.06 -0.14 0.00 0.00 0.00 0.00 56.01 52.81 1m12 n LEU 81 Cb 0.00 -1.21 -0.09 0.00 0.00 0.00 0.00 43.42 42.12 1m12 n LEU 81 CO 0.00 1.29 1.00 1.33 0.00 0.00 0.00 177.39 181.01 1m12 n VAL 82 N 3.16 0.00 0.81 1.96 0.24 -1.26 -4.67 118.33 118.57 1m12 n VAL 82 Ca 0.46 -0.13 0.08 0.00 -2.04 0.00 0.00 64.34 62.71 1m12 n VAL 82 Cb 0.49 -0.10 0.42 0.00 -1.47 0.00 0.00 33.84 33.17 1m12 n VAL 82 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 1m12 n PRO 83 N 3.17 0.30 0.00 7.34 -0.04 -1.26 -5.29 135.00 139.22 1m12 n PRO 83 Ca 0.31 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.87 1m12 n PRO 83 Cb 0.04 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 1m12 n PRO 83 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33