#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 5.99 0.19 4.04 2.15 -1.26 -4.85 116.67 122.93 1m12 s ASP 2 Ca 0.00 1.49 0.23 0.00 0.43 0.00 0.00 52.55 54.71 1m12 s ASP 2 Cb 0.00 -2.53 0.91 0.00 -0.30 0.00 0.00 42.92 41.00 1m12 s ASP 2 CO 0.00 -1.60 1.71 1.33 -0.17 0.00 0.00 175.17 176.44 1m12 n VAL 3 N 7.15 0.74 -0.04 1.11 0.24 -1.26 -3.77 118.33 122.49 1m12 n VAL 3 Ca 0.22 0.09 -0.13 0.00 -2.04 0.00 0.00 64.34 62.48 1m12 n VAL 3 Cb 0.46 -0.95 -0.11 0.00 -1.47 0.00 0.00 33.84 31.76 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 -0.00 -0.65 6.34 0.05 -1.93 -3.09 116.97 117.68 1m12 h TYR 4 Ca 0.00 -0.00 0.03 0.00 0.05 0.00 0.00 58.73 58.81 1m12 h TYR 4 Cb 0.45 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.15 1m12 h TYR 4 CO 0.00 0.75 0.39 0.00 -1.05 0.00 0.00 178.16 178.26 1m12 h GLU 6 N 0.76 0.94 -0.27 0.00 4.39 -1.66 -2.09 114.58 116.64 1m12 h GLU 6 Ca 0.27 -0.06 -0.16 0.00 0.34 0.00 0.00 59.36 59.76 1m12 h GLU 6 Cb 0.06 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 1m12 h GLU 6 CO -0.12 0.62 -0.46 0.28 -1.16 0.00 0.00 179.01 178.17 1m12 h VAL 7 N 0.97 1.29 -0.30 3.13 2.07 -1.30 -2.27 116.25 119.84 1m12 h VAL 7 Ca 0.40 -1.65 0.01 0.00 0.82 0.00 0.00 66.70 66.28 1m12 h VAL 7 Cb 0.23 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1m12 h VAL 7 CO -0.19 0.53 0.16 0.00 0.02 0.00 0.00 177.57 178.09 1m12 h GLU 9 N 0.34 0.07 -0.13 0.00 5.08 -1.39 -2.12 114.58 116.43 1m12 h GLU 9 Ca 0.12 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 1m12 h GLU 9 Cb 0.01 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1m12 h GLU 9 CO -0.07 0.38 0.01 0.35 -1.00 0.00 0.00 179.01 178.68 1m12 h PHE 10 N 0.07 0.25 -0.56 4.33 3.57 -0.69 -1.56 116.94 122.34 1m12 h PHE 10 Ca 0.01 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1m12 h PHE 10 Cb 0.58 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 39.23 1m12 h PHE 10 CO 0.00 0.44 0.26 -0.07 -2.23 0.00 0.00 178.31 176.71 1m12 h LEU 11 N -0.02 0.75 -0.27 0.59 3.38 -1.18 -2.10 115.31 116.47 1m12 h LEU 11 Ca 0.04 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.88 1m12 h LEU 11 Cb 0.33 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 1m12 h LEU 11 CO 0.00 0.68 0.13 0.58 0.09 0.00 0.00 178.44 179.93 1m12 h VAL 12 N 0.76 1.00 -0.81 1.22 2.07 -1.28 0.24 116.25 119.45 1m12 h VAL 12 Ca 0.19 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.65 1m12 h VAL 12 Cb 0.14 0.69 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 1m12 h VAL 12 CO -0.02 0.05 0.52 0.50 0.02 0.00 0.00 177.57 178.64 1m12 h LYS 13 N 0.28 0.96 -0.21 1.57 3.64 -1.06 -1.23 116.57 120.53 1m12 h LYS 13 Ca 0.11 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.24 1m12 h LYS 13 Cb 0.03 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 31.63 1m12 h LYS 13 CO -0.07 0.64 -0.64 0.93 -2.27 0.00 0.00 179.45 178.04 1m12 h GLU 14 N 0.99 0.75 -0.37 1.90 5.08 -0.86 -3.02 114.58 119.06 1m12 h GLU 14 Ca 0.33 -0.53 -0.05 0.00 -1.00 0.00 0.00 59.36 58.12 1m12 h GLU 14 Cb 0.05 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1m12 h GLU 14 CO -0.13 1.15 0.04 0.28 -1.00 0.00 0.00 179.01 179.35 1m12 h VAL 15 N 0.55 1.25 -0.88 3.13 2.07 -0.03 -2.22 116.25 120.12 1m12 h VAL 15 Ca -0.01 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 1m12 h VAL 15 Cb 1.24 1.12 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 1m12 h VAL 15 CO 0.13 0.30 0.46 0.71 0.02 0.00 0.00 177.57 179.19 1m12 h THR 16 N 0.45 1.26 -0.51 2.57 1.35 -1.27 0.69 112.91 117.45 1m12 h THR 16 Ca 0.11 -0.68 -0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1m12 h THR 16 Cb 0.39 0.09 -0.03 0.00 -1.73 0.00 0.00 68.15 66.88 1m12 h THR 16 CO 0.01 0.30 0.32 0.50 -0.25 0.00 0.00 175.52 176.40 1m12 h LYS 17 N 1.24 0.68 -0.18 4.72 3.64 -1.39 1.12 116.57 126.41 1m12 h LYS 17 Ca 0.31 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.44 1m12 h LYS 17 Cb 0.06 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1m12 h LYS 17 CO -0.05 0.47 -0.69 -0.07 -2.27 0.00 0.00 179.45 176.85 1m12 h LEU 18 N 0.70 0.82 -1.08 5.20 3.38 -0.39 0.12 115.31 124.07 1m12 h LEU 18 Ca 0.19 -0.50 -0.09 0.00 0.09 0.00 0.00 57.88 57.56 1m12 h LEU 18 Cb -0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.45 1m12 h LEU 18 CO -0.04 1.28 -0.38 0.40 0.09 0.00 0.00 178.44 179.79 1m12 h ILE 19 N 0.51 1.29 0.00 1.22 2.04 0.18 -2.21 117.51 120.54 1m12 h ILE 19 Ca -0.02 -1.40 -0.08 0.00 1.00 0.00 0.00 64.86 64.36 1m12 h ILE 19 Cb 1.29 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 39.01 1m12 h ILE 19 CO 0.14 0.41 -0.39 0.44 0.00 0.00 0.00 178.15 178.75 1m12 h ASP 20 N 0.13 0.00 0.01 1.72 3.32 0.16 -3.09 116.42 118.68 1m12 h ASP 20 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1m12 h ASP 20 Cb 0.73 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1m12 h ASP 20 CO 0.06 0.39 -0.01 -3.20 -1.72 0.00 0.00 179.24 174.75 1m12 n ASN 21 N -3.29 1.08 -0.42 6.45 4.05 0.37 -4.94 115.26 118.58 1m12 n ASN 21 Ca 0.01 -1.32 0.00 0.00 0.45 0.00 0.00 54.58 53.72 1m12 n ASN 21 Cb 0.63 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.64 1m12 n ASN 21 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 177.26 171.01 1m12 n ASN 22 N -0.18 -1.76 -4.90 1.20 2.85 -1.09 -5.07 115.26 106.30 1m12 n ASN 22 Ca 0.20 0.00 -0.30 0.00 -0.11 0.00 0.00 54.58 54.37 1m12 n ASN 22 Cb 0.29 -0.46 -0.04 0.00 1.24 0.00 0.00 39.78 40.81 1m12 n ASN 22 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 1m12 s LYS 23 N -4.55 3.61 0.65 1.20 1.02 -1.11 -5.07 119.74 115.49 1m12 s LYS 23 Ca 0.00 -0.11 -0.11 0.00 0.02 0.00 0.00 55.97 55.77 1m12 s LYS 23 Cb 0.00 -2.80 -0.02 0.00 -0.52 0.00 0.00 37.83 34.48 1m12 s LYS 23 CO 0.00 0.41 1.04 0.95 -0.92 0.00 0.00 175.35 176.83 1m12 s THR 24 N -1.78 4.43 0.22 2.17 -4.23 -1.26 -4.83 115.64 110.36 1m12 s THR 24 Ca 0.41 0.79 -0.07 0.00 -1.18 0.00 0.00 61.69 61.64 1m12 s THR 24 Cb -0.12 -3.73 0.17 0.00 1.34 0.00 0.00 72.50 70.17 1m12 s THR 24 CO 0.26 -1.03 1.75 -0.08 -0.54 0.00 0.00 174.62 174.98 1m12 h GLU 25 N -0.44 0.47 -0.66 3.99 4.81 -2.00 0.76 114.58 121.51 1m12 h GLU 25 Ca -0.44 -0.03 0.14 0.00 -0.13 0.00 0.00 59.36 58.90 1m12 h GLU 25 Cb 1.20 -0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 1m12 h GLU 25 CO 0.61 0.31 0.45 -0.22 -0.73 0.00 0.00 179.01 179.43 1m12 h LYS 26 N 0.49 0.27 0.01 1.92 3.64 -2.00 -1.23 116.57 119.67 1m12 h LYS 26 Ca 0.35 -0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 59.48 1m12 h LYS 26 Cb 0.44 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 1m12 h LYS 26 CO -0.32 0.18 -0.96 0.93 -2.27 0.00 0.00 179.45 177.01 1m12 h GLU 27 N 0.28 0.41 -0.64 1.90 5.08 -1.21 -2.22 114.58 118.17 1m12 h GLU 27 Ca 0.32 -0.45 -0.08 0.00 -1.00 0.00 0.00 59.36 58.14 1m12 h GLU 27 Cb 0.85 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.21 1m12 h GLU 27 CO -0.07 1.12 0.07 0.82 -1.00 0.00 0.00 179.01 179.95 1m12 h ILE 28 N 0.23 1.26 0.00 3.13 2.04 -0.86 -0.19 117.51 123.12 1m12 h ILE 28 Ca -0.08 -1.07 -0.10 0.00 1.00 0.00 0.00 64.86 64.61 1m12 h ILE 28 Cb 1.60 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 1m12 h ILE 28 CO 0.17 0.40 -0.45 -0.07 0.00 0.00 0.00 178.15 178.19 1m12 h LEU 29 N 1.00 0.00 -0.15 1.44 3.38 -1.47 -2.66 115.31 116.85 1m12 h LEU 29 Ca 0.19 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.09 1m12 h LEU 29 Cb 0.48 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 1m12 h LEU 29 CO 0.02 0.45 -0.18 -0.78 0.09 0.00 0.00 178.44 178.05 1m12 h ASP 30 N 0.00 0.41 0.59 -0.43 3.58 -0.73 -3.06 116.42 116.78 1m12 h ASP 30 Ca -0.00 -0.50 -0.03 0.00 0.42 0.00 0.00 57.03 56.92 1m12 h ASP 30 Cb 0.99 -0.12 -0.00 0.00 1.72 0.00 0.00 39.33 41.92 1m12 h ASP 30 CO 0.06 0.83 -0.12 0.00 -2.88 0.00 0.00 179.24 177.12 1m12 h ALA 31 N 0.60 1.14 0.00 -0.78 0.00 -0.96 -2.71 119.26 116.55 1m12 h ALA 31 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1m12 h ALA 31 Cb 0.72 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1m12 h ALA 31 CO 0.04 0.15 0.15 1.19 0.00 0.00 0.00 179.25 180.79 1m12 n PHE 32 N -3.44 0.00 0.23 0.00 3.01 -1.01 -0.20 117.46 116.04 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 0.29 -0.32 0.09 0.00 -0.01 0.00 0.00 39.48 39.53 1m12 n PHE 32 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1m12 h ASP 33 N 0.00 0.00 0.00 4.37 5.19 -1.67 -3.35 116.42 120.96 1m12 h ASP 33 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 1m12 h ASP 33 Cb 0.30 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1m12 h ASP 33 CO 0.00 0.02 0.00 2.29 -3.12 0.00 0.00 179.24 178.43 1m12 n LYS 34 N -2.70 1.93 0.05 3.56 0.00 0.72 -4.76 118.16 116.96 1m12 n LYS 34 Ca 0.02 -1.15 -0.20 0.00 -0.00 0.00 0.00 58.31 56.98 1m12 n LYS 34 Cb 0.52 -0.85 -0.15 0.00 -0.00 0.00 0.00 35.03 34.56 1m12 n LYS 34 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 1m12 h MET 35 N 0.00 0.30 0.00 -1.58 4.05 -1.43 -2.99 114.93 113.29 1m12 h MET 35 Ca 0.00 -0.51 0.00 0.00 -0.28 0.00 0.00 59.70 58.91 1m12 h MET 35 Cb 0.63 0.19 0.00 0.00 -0.80 0.00 0.00 31.60 31.62 1m12 h MET 35 CO 0.00 1.25 0.00 0.00 0.23 0.00 0.00 176.91 178.39 1m12 n SER 37 N -1.35 0.83 -0.06 0.00 2.88 -1.13 -3.12 113.62 111.66 1m12 n SER 37 Ca 0.03 -2.03 0.01 0.00 -1.33 0.00 0.00 58.87 55.54 1m12 n SER 37 Cb 0.06 -0.28 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 1m12 n SER 37 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1m12 n LYS 38 N -0.14 0.51 -4.28 -1.46 5.02 -0.55 -5.01 118.16 112.24 1m12 n LYS 38 Ca 0.02 -0.50 -0.33 0.00 -2.02 0.00 0.00 58.31 55.47 1m12 n LYS 38 Cb 0.19 -0.96 -0.09 0.00 -0.02 0.00 0.00 35.03 34.15 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 -0.49 3.60 0.92 -0.35 1.43 -1.18 -5.08 118.68 117.53 1m12 s LEU 39 Ca 0.02 0.07 -0.16 0.00 -1.03 0.00 0.00 54.13 53.03 1m12 s LEU 39 Cb 0.01 -1.99 -0.08 0.00 0.03 0.00 0.00 46.19 44.16 1m12 s LEU 39 CO 0.03 0.31 -0.23 -2.65 0.23 0.00 0.00 176.35 174.04 1m12 n PRO 40 N 1.60 -0.07 0.23 1.29 -0.02 -1.26 -4.75 135.00 132.02 1m12 n PRO 40 Ca -0.16 -0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.48 1m12 n PRO 40 Cb 0.53 -1.36 0.77 0.00 -0.02 0.00 0.00 33.50 33.42 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 -1.06 0.00 0.00 -0.52 3.64 -1.98 -2.85 116.57 113.80 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 -1.13 -2.27 0.00 0.00 179.45 176.35 1m12 n SER 42 N -2.64 0.65 -0.23 4.20 3.41 -1.26 -2.70 113.62 115.05 1m12 n SER 42 Ca -0.01 0.65 0.03 0.00 -0.26 0.00 0.00 58.87 59.28 1m12 n SER 42 Cb 0.13 -0.79 0.02 0.00 -0.26 0.00 0.00 64.21 63.31 1m12 n SER 42 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1m12 n LEU 43 N -2.21 1.41 0.00 1.04 4.77 -1.08 -4.81 117.00 116.13 1m12 n LEU 43 Ca 0.03 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 1m12 n LEU 43 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1m12 n LEU 43 CO 0.21 0.29 0.38 -0.24 -1.33 0.00 0.00 177.39 176.70 1m12 n SER 44 N 0.22 0.00 -0.04 -1.43 2.88 -1.10 -2.86 113.62 111.29 1m12 n SER 44 Ca 0.03 0.76 -0.08 0.00 -1.33 0.00 0.00 58.87 58.25 1m12 n SER 44 Cb 0.15 -0.34 -0.02 0.00 -0.75 0.00 0.00 64.21 63.25 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 -0.21 -0.08 -1.46 5.08 -1.87 -1.69 114.58 114.35 1m12 h GLU 45 Ca 0.00 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 1m12 h GLU 45 Cb 0.00 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.29 1m12 h GLU 45 CO 0.00 -0.14 0.17 0.93 -1.00 0.00 0.00 179.01 178.97 1m12 h GLU 46 N -0.21 0.00 0.09 2.33 3.07 -1.89 -0.26 114.58 117.70 1m12 h GLU 46 Ca 0.13 0.00 -0.19 0.00 -0.50 0.00 0.00 59.36 58.80 1m12 h GLU 46 Cb 0.41 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.34 1m12 h GLU 46 CO -0.35 0.00 -0.79 0.00 -1.40 0.00 0.00 179.01 176.47 1m12 h GLN 48 N -0.19 0.66 -0.43 0.00 4.20 -0.80 0.48 115.11 119.03 1m12 h GLN 48 Ca -0.12 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.41 1m12 h GLN 48 Cb 1.56 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 29.18 1m12 h GLN 48 CO 0.15 0.44 -0.26 0.93 -0.67 0.00 0.00 178.83 179.42 1m12 h GLU 49 N 0.68 0.93 0.17 1.46 3.07 -1.49 0.22 114.58 119.63 1m12 h GLU 49 Ca 0.46 -0.43 -0.01 0.00 -0.50 0.00 0.00 59.36 58.89 1m12 h GLU 49 Cb 0.62 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 1m12 h GLU 49 CO -0.34 1.09 -0.08 0.28 -1.40 0.00 0.00 179.01 178.56 1m12 h VAL 50 N 0.77 0.93 0.48 3.13 2.07 -0.83 -0.96 116.25 121.85 1m12 h VAL 50 Ca 0.09 -0.92 -0.02 0.00 0.82 0.00 0.00 66.70 66.67 1m12 h VAL 50 Cb 0.84 1.45 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1m12 h VAL 50 CO 0.07 0.20 -0.25 0.58 0.02 0.00 0.00 177.57 178.19 1m12 h VAL 51 N -0.71 0.48 -0.72 2.57 2.07 -0.15 1.13 116.25 120.92 1m12 h VAL 51 Ca -0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1m12 h VAL 51 Cb 0.50 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 1m12 h VAL 51 CO 0.04 0.00 0.34 0.44 0.02 0.00 0.00 177.57 178.40 1m12 h ASP 52 N -0.68 0.94 0.19 0.57 5.19 -1.04 0.36 116.42 121.95 1m12 h ASP 52 Ca -0.06 -0.14 -0.35 0.00 -0.62 0.00 0.00 57.03 55.85 1m12 h ASP 52 Cb 0.53 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.81 1m12 h ASP 52 CO 0.09 0.82 -1.80 0.74 -3.12 0.00 0.00 179.24 175.98 1m12 h THR 53 N 1.00 0.88 -0.47 0.35 2.02 -1.12 -3.38 112.91 112.19 1m12 h THR 53 Ca 0.24 -2.49 -0.25 0.00 0.77 0.00 0.00 66.41 64.68 1m12 h THR 53 Cb 0.13 2.72 -0.15 0.00 -1.74 0.00 0.00 68.15 69.11 1m12 h THR 53 CO -0.03 0.87 0.03 -1.22 0.37 0.00 0.00 175.52 175.53 1m12 n TYR 54 N -3.57 1.48 -0.06 3.16 4.02 0.39 -4.73 117.16 117.84 1m12 n TYR 54 Ca -0.26 -1.70 -0.08 0.00 -0.01 0.00 0.00 57.90 55.85 1m12 n TYR 54 Cb 1.07 -0.58 -0.07 0.00 -0.02 0.00 0.00 39.34 39.74 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 1.05 0.00 1.99 2.72 0.00 -0.25 -2.84 103.07 105.74 1m12 h GLY 55 Ca 0.30 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.55 1m12 h GLY 55 CO 0.53 0.00 -0.38 1.76 0.00 0.00 0.00 176.54 178.46 1m12 h SER 56 N -1.00 0.01 -0.01 0.19 0.02 -1.85 -2.84 113.55 108.07 1m12 h SER 56 Ca -0.02 -0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.88 1m12 h SER 56 Cb 0.59 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1m12 h SER 56 CO -0.01 0.39 -0.17 0.77 -1.14 0.00 0.00 176.83 176.66 1m12 h SER 57 N 0.01 0.16 -0.55 3.07 4.64 -1.87 -1.62 113.55 117.39 1m12 h SER 57 Ca -0.00 -0.76 0.09 0.00 -0.47 0.00 0.00 61.79 60.65 1m12 h SER 57 Cb 0.68 -0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 62.64 1m12 h SER 57 CO 0.05 0.90 0.16 0.40 -0.87 0.00 0.00 176.83 177.46 1m12 h ILE 58 N -0.55 0.73 0.00 0.95 2.04 -1.52 0.22 117.51 119.38 1m12 h ILE 58 Ca -0.02 -0.11 -0.02 0.00 1.00 0.00 0.00 64.86 65.72 1m12 h ILE 58 Cb 0.92 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1m12 h ILE 58 CO 0.03 0.06 -0.07 -0.07 0.00 0.00 0.00 178.15 178.10 1m12 h LEU 59 N 0.31 0.00 0.10 1.44 -0.00 -1.50 -2.43 115.31 113.22 1m12 h LEU 59 Ca 0.28 0.00 -0.28 0.00 -0.00 0.00 0.00 57.88 57.88 1m12 h LEU 59 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.02 1m12 h LEU 59 CO -0.32 0.07 -1.37 -1.28 -0.00 0.00 0.00 178.44 175.54 1m12 h SER 60 N 0.00 0.32 -0.08 -0.43 0.87 0.44 -3.29 113.55 111.39 1m12 h SER 60 Ca -0.00 -0.40 -0.06 0.00 -1.23 0.00 0.00 61.79 60.10 1m12 h SER 60 Cb 0.17 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1m12 h SER 60 CO 0.01 1.33 -0.20 0.40 -0.53 0.00 0.00 176.83 177.84 1m12 h ILE 61 N 0.06 1.41 -0.89 2.23 2.04 -1.10 -3.09 117.51 118.18 1m12 h ILE 61 Ca -0.18 -1.53 0.09 0.00 1.00 0.00 0.00 64.86 64.25 1m12 h ILE 61 Cb 1.97 2.21 -0.06 0.00 -0.74 0.00 0.00 36.82 40.19 1m12 h ILE 61 CO 0.17 0.43 0.57 -0.07 0.00 0.00 0.00 178.15 179.25 1m12 h LEU 62 N -0.20 0.80 -0.90 1.44 3.38 -1.59 0.35 115.31 118.59 1m12 h LEU 62 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1m12 h LEU 62 Cb 0.80 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1m12 h LEU 62 CO 0.04 0.47 0.00 -0.07 0.09 0.00 0.00 178.44 178.98 1m12 h LEU 63 N 0.89 0.00 -2.67 1.67 3.38 -1.62 -2.76 115.31 114.20 1m12 h LEU 63 Ca 0.41 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.23 1m12 h LEU 63 Cb 0.39 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.06 1m12 h LEU 63 CO -0.17 0.00 0.19 1.21 0.09 0.00 0.00 178.44 179.76 1m12 n GLU 64 N -2.56 1.36 -2.78 1.13 4.07 0.12 -4.81 120.64 117.18 1m12 n GLU 64 Ca 0.02 -0.83 -0.14 0.00 -0.06 0.00 0.00 57.16 56.15 1m12 n GLU 64 Cb 0.28 -1.32 -0.01 0.00 -0.06 0.00 0.00 31.44 30.33 1m12 n GLU 64 CO 0.00 0.00 0.00 0.39 -0.06 0.00 0.00 177.13 177.46 1m12 n GLU 65 N 0.19 -2.69 -3.49 5.31 -0.58 -1.04 -4.93 120.64 113.41 1m12 n GLU 65 Ca 0.16 0.42 -0.35 0.00 -0.42 0.00 0.00 57.16 56.97 1m12 n GLU 65 Cb 0.77 -5.03 -0.06 0.00 -0.57 0.00 0.00 31.44 26.56 1m12 n GLU 65 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1m12 s VAL 66 N -2.59 5.00 0.67 2.62 1.01 -1.24 -5.04 120.40 120.83 1m12 s VAL 66 Ca 0.14 0.62 -0.17 0.00 0.00 0.00 0.00 61.98 62.57 1m12 s VAL 66 Cb -0.07 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1m12 s VAL 66 CO 0.17 0.30 0.73 -0.24 0.00 0.00 0.00 175.10 176.05 1m12 n SER 67 N 0.94 -0.35 -0.17 3.32 2.88 -1.26 -4.77 113.62 114.21 1m12 n SER 67 Ca -0.07 0.67 -0.11 0.00 -1.33 0.00 0.00 58.87 58.03 1m12 n SER 67 Cb 0.52 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.69 1m12 n SER 67 CO 0.00 0.00 0.00 1.55 -1.23 0.00 0.00 175.04 175.36 1m12 h PRO 68 N -0.08 0.96 0.00 -1.46 0.13 -1.97 -3.08 132.00 126.50 1m12 h PRO 68 Ca -0.47 -0.36 0.00 0.00 -0.87 0.00 0.00 66.00 64.30 1m12 h PRO 68 Cb 1.36 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1m12 h PRO 68 CO 0.46 1.03 0.00 1.05 -0.23 0.00 0.00 178.00 180.31 1m12 h GLU 69 N 0.82 0.00 0.00 0.86 4.11 -2.00 -2.65 114.58 115.72 1m12 h GLU 69 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.56 1m12 h GLU 69 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 1m12 h GLU 69 CO 0.05 0.00 0.00 -0.07 0.07 0.00 0.00 179.01 179.06 1m12 h LEU 70 N 0.00 0.00 0.38 3.06 3.38 -1.90 -3.19 115.31 117.04 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 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1m12 h LEU 70 CO 0.00 0.00 -0.18 0.58 0.09 0.00 0.00 178.44 178.93 1m12 h VAL 71 N 0.00 0.62 0.00 1.22 2.07 -1.56 -0.39 116.25 118.21 1m12 h VAL 71 Ca 0.00 -0.39 -0.05 0.00 0.82 0.00 0.00 66.70 67.07 1m12 h VAL 71 Cb 0.48 0.81 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 1m12 h VAL 71 CO 0.00 0.07 -0.25 0.00 0.02 0.00 0.00 177.57 177.41 1m12 h SER 73 N 0.00 0.73 -0.17 0.00 0.87 -1.57 -3.04 113.55 110.38 1m12 h SER 73 Ca -0.00 -0.62 -0.22 0.00 -1.23 0.00 0.00 61.79 59.72 1m12 h SER 73 Cb 0.48 -0.23 0.01 0.00 -0.44 0.00 0.00 62.40 62.22 1m12 h SER 73 CO 0.03 1.43 -0.74 0.24 -0.53 0.00 0.00 176.83 177.26 1m12 h MET 74 N 0.29 0.80 -0.53 2.24 2.86 -0.89 -3.07 114.93 116.63 1m12 h MET 74 Ca -0.13 -0.63 0.00 0.00 -2.06 0.00 0.00 59.70 56.88 1m12 h MET 74 Cb 1.73 0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.51 1m12 h MET 74 CO 0.20 1.24 0.00 1.28 1.06 0.00 0.00 176.91 180.69 1m12 n LEU 75 N -3.96 0.53 -1.54 1.22 4.77 -0.92 -4.76 117.00 112.35 1m12 n LEU 75 Ca -0.07 -0.26 -0.07 0.00 -0.03 0.00 0.00 56.01 55.58 1m12 n LEU 75 Cb 0.73 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.53 1m12 n LEU 75 CO 0.52 0.13 -0.07 0.00 -1.33 0.00 0.00 177.39 176.65 1m12 n HIS 76 N 0.11 -0.94 0.97 -1.77 1.44 -1.16 -4.72 115.22 109.15 1m12 n HIS 76 Ca 0.00 0.00 0.13 0.00 -2.01 0.00 0.00 57.72 55.84 1m12 n HIS 76 Cb 0.13 -1.86 0.48 0.00 0.12 0.00 0.00 29.99 28.86 1m12 n HIS 76 CO 0.00 0.00 0.00 1.28 -2.81 0.00 0.00 176.34 174.81 1m12 n LEU 77 N -1.78 0.21 -3.78 2.39 4.77 -1.15 -4.51 117.00 113.14 1m12 n LEU 77 Ca -0.07 0.34 -0.30 0.00 -0.03 0.00 0.00 56.01 55.94 1m12 n LEU 77 Cb 0.31 -0.40 -0.15 0.00 -2.33 0.00 0.00 43.42 40.85 1m12 n LEU 77 CO 0.10 0.03 -0.32 0.00 -1.33 0.00 0.00 177.39 175.87 1m12 s SER 79 N 1.31 1.22 0.53 0.00 0.15 -1.26 -4.84 113.70 110.81 1m12 s SER 79 Ca 0.11 1.06 0.04 0.00 0.70 0.00 0.00 55.95 57.85 1m12 s SER 79 Cb -0.19 -1.61 0.09 0.00 -1.71 0.00 0.00 66.02 62.60 1m12 s SER 79 CO -0.19 -3.99 0.65 0.61 1.20 0.00 0.00 173.24 171.53 1m12 n GLY 80 N -0.27 1.35 3.35 9.45 0.00 -1.26 -4.96 105.19 112.85 1m12 n GLY 80 Ca 0.07 -2.11 -0.41 0.00 0.00 0.00 0.00 46.02 43.57 1m12 n GLY 80 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1m12 n LEU 81 N 0.00 5.14 -4.05 0.99 4.77 -1.26 -4.86 117.00 117.73 1m12 n LEU 81 Ca 0.12 -3.83 -0.34 0.00 -0.03 0.00 0.00 56.01 51.93 1m12 n LEU 81 Cb 0.43 -1.69 -0.11 0.00 -2.33 0.00 0.00 43.42 39.72 1m12 n LEU 81 CO 0.29 0.12 -0.07 0.68 -1.33 0.00 0.00 177.39 177.08 1m12 s VAL 82 N 4.85 3.25 -2.00 4.08 -7.23 -1.26 -4.92 120.40 117.16 1m12 s VAL 82 Ca 0.54 -2.96 0.04 0.00 -1.81 0.00 0.00 61.98 57.80 1m12 s VAL 82 Cb 0.06 -3.17 0.12 0.00 0.56 0.00 0.00 36.38 33.95 1m12 s VAL 82 CO 0.05 -0.82 0.62 -0.81 -0.31 0.00 0.00 175.10 173.83 1m12 n PRO 83 N 3.51 0.19 0.00 4.82 -0.05 -1.26 -5.23 135.00 136.98 1m12 n PRO 83 Ca 0.06 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.51 1m12 n PRO 83 Cb 0.37 -1.34 0.00 0.00 -0.05 0.00 0.00 33.50 32.47 1m12 n PRO 83 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 175.50 173.32