#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 5.47 0.18 -3.46 2.15 -1.26 -4.82 116.67 114.92 1m12 s ASP 2 Ca 0.00 0.71 0.14 0.00 0.43 0.00 0.00 52.55 53.84 1m12 s ASP 2 Cb 0.00 -2.53 0.72 0.00 -0.30 0.00 0.00 42.92 40.82 1m12 s ASP 2 CO 0.00 -2.15 1.44 1.33 -0.17 0.00 0.00 175.17 175.62 1m12 n VAL 3 N 7.32 1.31 -0.03 1.11 0.24 -1.26 -2.87 118.33 124.15 1m12 n VAL 3 Ca 0.22 0.55 -0.15 0.00 -2.04 0.00 0.00 64.34 62.92 1m12 n VAL 3 Cb 0.50 -1.51 -0.10 0.00 -1.47 0.00 0.00 33.84 31.25 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 0.30 -0.99 6.34 0.05 -1.92 -2.88 116.97 117.87 1m12 h TYR 4 Ca 0.00 -0.15 0.11 0.00 0.05 0.00 0.00 58.73 58.75 1m12 h TYR 4 Cb 0.07 -0.04 -0.08 0.00 1.01 0.00 0.00 36.73 37.69 1m12 h TYR 4 CO 0.00 0.90 0.63 0.00 -1.05 0.00 0.00 178.16 178.64 1m12 h GLU 6 N 1.01 0.75 -0.16 0.00 4.81 -1.63 -2.46 114.58 116.89 1m12 h GLU 6 Ca 0.48 -0.09 -0.12 0.00 -0.13 0.00 0.00 59.36 59.50 1m12 h GLU 6 Cb 0.44 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.68 1m12 h GLU 6 CO -0.24 0.59 -0.37 0.28 -0.73 0.00 0.00 179.01 178.54 1m12 h VAL 7 N 0.71 1.35 -0.24 0.32 2.07 -1.06 -2.05 116.25 117.34 1m12 h VAL 7 Ca 0.18 -1.63 0.02 0.00 0.82 0.00 0.00 66.70 66.09 1m12 h VAL 7 Cb 0.07 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 1m12 h VAL 7 CO -0.03 0.49 0.16 0.00 0.02 0.00 0.00 177.57 178.22 1m12 h GLU 9 N 0.26 0.00 -0.08 0.00 5.08 -1.39 -2.64 114.58 115.81 1m12 h GLU 9 Ca 0.10 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 1m12 h GLU 9 Cb 0.07 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1m12 h GLU 9 CO -0.02 0.83 -0.14 0.35 -1.00 0.00 0.00 179.01 179.04 1m12 h PHE 10 N 0.00 0.29 -0.54 4.33 3.57 -0.21 -0.34 116.94 124.04 1m12 h PHE 10 Ca -0.01 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.38 1m12 h PHE 10 Cb 1.63 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 40.29 1m12 h PHE 10 CO 0.00 0.73 0.29 -0.07 -2.23 0.00 0.00 178.31 177.03 1m12 h LEU 11 N -0.23 0.67 -0.15 0.59 3.38 -1.18 -0.27 115.31 118.12 1m12 h LEU 11 Ca 0.01 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1m12 h LEU 11 Cb 0.70 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1m12 h LEU 11 CO 0.03 0.57 0.10 0.58 0.09 0.00 0.00 178.44 179.81 1m12 h VAL 12 N 0.72 1.04 -0.56 1.22 2.07 -1.44 0.55 116.25 119.85 1m12 h VAL 12 Ca 0.19 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.67 1m12 h VAL 12 Cb 0.05 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1m12 h VAL 12 CO -0.03 0.04 0.31 0.50 0.02 0.00 0.00 177.57 178.41 1m12 h LYS 13 N 0.20 0.57 -0.25 1.57 3.64 -0.71 -0.58 116.57 121.01 1m12 h LYS 13 Ca 0.05 -0.03 -0.17 0.00 -1.27 0.00 0.00 60.65 59.23 1m12 h LYS 13 Cb -0.02 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1m12 h LYS 13 CO -0.01 0.38 -0.52 1.49 -2.27 0.00 0.00 179.45 178.51 1m12 h GLU 14 N 0.59 0.74 -0.37 1.90 4.57 -0.66 -3.05 114.58 118.29 1m12 h GLU 14 Ca 0.24 -0.45 -0.08 0.00 -1.18 0.00 0.00 59.36 57.89 1m12 h GLU 14 Cb 0.12 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.74 1m12 h GLU 14 CO -0.15 1.08 -0.08 0.28 -1.18 0.00 0.00 179.01 178.96 1m12 h VAL 15 N 0.57 1.27 -0.70 0.32 2.07 0.63 -2.59 116.25 117.83 1m12 h VAL 15 Ca 0.02 -1.14 -0.04 0.00 0.82 0.00 0.00 66.70 66.36 1m12 h VAL 15 Cb 1.10 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.09 1m12 h VAL 15 CO 0.11 0.38 0.29 0.71 0.02 0.00 0.00 177.57 179.08 1m12 h THR 16 N 0.52 1.24 -0.27 2.57 1.35 -1.13 0.41 112.91 117.60 1m12 h THR 16 Ca 0.10 -0.72 -0.03 0.00 -0.55 0.00 0.00 66.41 65.20 1m12 h THR 16 Cb 0.58 0.39 -0.01 0.00 -1.73 0.00 0.00 68.15 67.38 1m12 h THR 16 CO 0.03 0.29 0.04 0.50 -0.25 0.00 0.00 175.52 176.14 1m12 h LYS 17 N 1.01 0.38 -0.18 4.72 3.64 -1.43 1.13 116.57 125.84 1m12 h LYS 17 Ca 0.24 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.39 1m12 h LYS 17 Cb 0.17 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 1m12 h LYS 17 CO -0.02 0.38 -0.58 -0.07 -2.27 0.00 0.00 179.45 176.89 1m12 h LEU 18 N 0.38 0.64 -0.64 5.20 -0.00 -0.64 0.13 115.31 120.38 1m12 h LEU 18 Ca 0.09 -0.35 -0.15 0.00 -0.00 0.00 0.00 57.88 57.47 1m12 h LEU 18 Cb 0.19 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.65 1m12 h LEU 18 CO -0.00 1.08 -0.61 0.40 -0.00 0.00 0.00 178.44 179.31 1m12 h ILE 19 N 0.43 1.38 0.00 1.22 2.04 0.14 -2.75 117.51 119.97 1m12 h ILE 19 Ca 0.00 -1.99 -0.05 0.00 1.00 0.00 0.00 64.86 63.83 1m12 h ILE 19 Cb 1.14 2.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.21 1m12 h ILE 19 CO 0.11 0.59 -0.23 -0.78 0.00 0.00 0.00 178.15 177.83 1m12 h ASP 20 N 0.19 0.00 -0.05 1.72 3.58 0.17 -2.99 116.42 119.04 1m12 h ASP 20 Ca -0.01 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1m12 h ASP 20 Cb 1.12 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.17 1m12 h ASP 20 CO 0.10 0.23 0.00 -3.20 -2.88 0.00 0.00 179.24 173.49 1m12 n ASN 21 N -3.24 1.31 -0.53 2.28 4.05 0.41 -4.94 115.26 114.60 1m12 n ASN 21 Ca 0.02 -1.49 0.00 0.00 0.45 0.00 0.00 54.58 53.56 1m12 n ASN 21 Cb 0.53 -0.02 0.00 0.00 1.23 0.00 0.00 39.78 41.52 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 0.04 -1.92 -4.91 1.20 4.05 -1.13 -5.07 115.26 107.52 1m12 n ASN 22 Ca 0.19 0.00 -0.30 0.00 0.45 0.00 0.00 54.58 54.92 1m12 n ASN 22 Cb 0.31 -0.48 -0.04 0.00 1.23 0.00 0.00 39.78 40.80 1m12 n ASN 22 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 1m12 s LYS 23 N -4.70 3.57 0.70 1.20 1.02 -1.09 -5.07 119.74 115.37 1m12 s LYS 23 Ca 0.00 -0.21 -0.11 0.00 0.02 0.00 0.00 55.97 55.67 1m12 s LYS 23 Cb 0.00 -2.86 0.01 0.00 -0.52 0.00 0.00 37.83 34.47 1m12 s LYS 23 CO 0.00 0.45 1.09 0.95 -0.92 0.00 0.00 175.35 176.91 1m12 s THR 24 N -1.73 3.48 0.19 2.17 -4.23 -1.26 -4.84 115.64 109.42 1m12 s THR 24 Ca 0.40 0.45 -0.11 0.00 -1.18 0.00 0.00 61.69 61.24 1m12 s THR 24 Cb -0.12 -3.47 0.11 0.00 1.34 0.00 0.00 72.50 70.36 1m12 s THR 24 CO 0.27 -0.61 1.78 -0.08 -0.54 0.00 0.00 174.62 175.44 1m12 h GLU 25 N -0.63 0.52 -0.55 3.99 4.81 -2.00 -1.17 114.58 119.55 1m12 h GLU 25 Ca -0.45 -0.03 0.11 0.00 -0.13 0.00 0.00 59.36 58.86 1m12 h GLU 25 Cb 1.25 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 1m12 h GLU 25 CO 0.64 0.34 0.38 -0.22 -0.73 0.00 0.00 179.01 179.42 1m12 h LYS 26 N 0.54 0.26 -0.00 1.92 3.11 -2.00 -1.61 116.57 118.78 1m12 h LYS 26 Ca 0.26 -0.02 -0.22 0.00 -2.81 0.00 0.00 60.65 57.86 1m12 h LYS 26 Cb 0.19 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.36 1m12 h LYS 26 CO -0.19 0.17 -0.93 0.93 -2.81 0.00 0.00 179.45 176.62 1m12 h GLU 27 N 0.27 0.39 -0.64 1.90 5.08 -1.58 -2.33 114.58 117.66 1m12 h GLU 27 Ca 0.26 -0.42 -0.08 0.00 -1.00 0.00 0.00 59.36 58.12 1m12 h GLU 27 Cb 0.66 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.01 1m12 h GLU 27 CO -0.06 1.09 0.07 0.82 -1.00 0.00 0.00 179.01 179.94 1m12 h ILE 28 N 0.22 1.26 -0.00 3.13 2.04 -1.00 -0.83 117.51 122.32 1m12 h ILE 28 Ca -0.08 -1.07 -0.15 0.00 1.00 0.00 0.00 64.86 64.57 1m12 h ILE 28 Cb 1.57 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.31 1m12 h ILE 28 CO 0.16 0.40 -0.68 -0.07 0.00 0.00 0.00 178.15 177.95 1m12 h LEU 29 N 1.00 0.03 -0.26 1.44 3.38 -1.50 -2.71 115.31 116.69 1m12 h LEU 29 Ca 0.19 -0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1m12 h LEU 29 Cb 0.47 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1m12 h LEU 29 CO 0.02 0.71 -0.09 -0.78 0.09 0.00 0.00 178.44 178.38 1m12 h ASP 30 N 0.02 0.53 0.57 -0.43 3.58 -0.95 -2.94 116.42 116.80 1m12 h ASP 30 Ca -0.01 -0.39 -0.03 0.00 0.42 0.00 0.00 57.03 57.02 1m12 h ASP 30 Cb 1.21 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 42.11 1m12 h ASP 30 CO 0.09 0.80 -0.14 0.00 -2.88 0.00 0.00 179.24 177.10 1m12 h ALA 31 N 0.75 1.16 0.00 -0.78 0.00 -1.11 -2.49 119.26 116.79 1m12 h ALA 31 Ca 0.06 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1m12 h ALA 31 Cb 0.58 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1m12 h ALA 31 CO 0.03 0.18 0.27 0.74 0.00 0.00 0.00 179.25 180.47 1m12 h PHE 32 N 0.00 0.00 0.00 0.00 -1.00 -1.29 0.31 116.94 114.96 1m12 h PHE 32 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1m12 h PHE 32 Cb 0.47 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.03 1m12 h PHE 32 CO 0.00 0.00 0.00 0.22 -1.61 0.00 0.00 178.31 176.92 1m12 h ASP 33 N 0.00 0.00 0.00 2.17 3.58 -1.60 -3.31 116.42 117.26 1m12 h ASP 33 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1m12 h ASP 33 Cb 0.53 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.58 1m12 h ASP 33 CO 0.00 0.00 -0.04 2.29 -2.88 0.00 0.00 179.24 178.61 1m12 n LYS 34 N -2.98 1.16 0.11 0.28 2.85 0.89 -4.79 118.16 115.67 1m12 n LYS 34 Ca 0.03 -1.03 -0.23 0.00 -1.05 0.00 0.00 58.31 56.03 1m12 n LYS 34 Cb 0.45 -0.74 -0.15 0.00 -0.65 0.00 0.00 35.03 33.93 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 0.46 0.00 -1.58 4.05 -1.12 -2.90 114.93 113.84 1m12 h MET 35 Ca 0.00 -0.79 0.00 0.00 -0.28 0.00 0.00 59.70 58.63 1m12 h MET 35 Cb 0.85 0.29 0.00 0.00 -0.80 0.00 0.00 31.60 31.95 1m12 h MET 35 CO 0.00 1.38 0.00 0.00 0.23 0.00 0.00 176.91 178.52 1m12 n SER 37 N -1.02 1.60 -0.01 0.00 2.88 -1.10 -3.49 113.62 112.48 1m12 n SER 37 Ca 0.06 -2.13 0.00 0.00 -1.33 0.00 0.00 58.87 55.47 1m12 n SER 37 Cb 0.03 -0.37 0.00 0.00 -0.75 0.00 0.00 64.21 63.12 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 0.08 -0.08 -4.24 -1.46 5.02 -0.80 -5.01 118.16 111.66 1m12 n LYS 38 Ca 0.06 -0.47 -0.35 0.00 -2.02 0.00 0.00 58.31 55.54 1m12 n LYS 38 Cb 0.34 -0.95 -0.08 0.00 -0.02 0.00 0.00 35.03 34.31 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 -0.25 3.75 0.92 -0.35 1.43 -1.23 -5.07 118.68 117.87 1m12 s LEU 39 Ca 0.00 0.18 -0.16 0.00 -1.03 0.00 0.00 54.13 53.12 1m12 s LEU 39 Cb 0.00 -1.96 -0.11 0.00 0.03 0.00 0.00 46.19 44.15 1m12 s LEU 39 CO 0.01 0.35 -0.43 -2.65 0.23 0.00 0.00 176.35 173.86 1m12 n PRO 40 N 1.85 -0.03 0.28 1.29 -0.02 -1.26 -4.70 135.00 132.41 1m12 n PRO 40 Ca -0.17 0.00 0.15 0.00 -2.02 0.00 0.00 63.50 61.46 1m12 n PRO 40 Cb 0.54 -1.21 0.82 0.00 -0.02 0.00 0.00 33.50 33.63 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 -0.95 0.00 0.00 -0.52 1.63 -1.97 -2.74 116.57 112.01 1m12 h LYS 41 Ca -0.44 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.36 1m12 h LYS 41 Cb 1.32 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.95 1m12 h LYS 41 CO 0.28 0.07 0.00 0.45 -3.45 0.00 0.00 179.45 176.81 1m12 n SER 42 N -3.51 0.00 -0.12 4.20 2.88 -1.26 -2.38 113.62 113.43 1m12 n SER 42 Ca -0.02 0.20 0.03 0.00 -1.33 0.00 0.00 58.87 57.76 1m12 n SER 42 Cb 0.20 -0.38 -0.01 0.00 -0.75 0.00 0.00 64.21 63.27 1m12 n SER 42 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1m12 n LEU 43 N -1.38 0.83 -0.15 2.46 7.94 -1.04 -4.76 117.00 120.91 1m12 n LEU 43 Ca 0.08 -0.70 -0.04 0.00 -1.11 0.00 0.00 56.01 54.24 1m12 n LEU 43 Cb 0.21 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.12 1m12 n LEU 43 CO 0.18 0.18 0.45 -0.24 -1.11 0.00 0.00 177.39 176.85 1m12 n SER 44 N -0.52 -0.37 0.09 1.96 2.88 -1.00 -3.28 113.62 113.37 1m12 n SER 44 Ca 0.02 1.19 -0.12 0.00 -1.33 0.00 0.00 58.87 58.63 1m12 n SER 44 Cb 0.13 -0.36 -0.05 0.00 -0.75 0.00 0.00 64.21 63.18 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 -0.45 -0.08 -1.46 5.08 -1.86 -2.33 114.58 113.49 1m12 h GLU 45 Ca 0.06 0.03 0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1m12 h GLU 45 Cb 0.14 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 1m12 h GLU 45 CO -0.33 -0.30 0.22 0.93 -1.00 0.00 0.00 179.01 178.54 1m12 h GLU 46 N -0.46 0.00 0.13 2.33 4.39 -1.90 0.08 114.58 119.14 1m12 h GLU 46 Ca 0.05 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.55 1m12 h GLU 46 Cb 0.52 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.19 1m12 h GLU 46 CO -0.20 0.00 -0.86 0.00 -1.16 0.00 0.00 179.01 176.79 1m12 h GLN 48 N -0.25 0.70 -0.46 0.00 4.15 -0.74 0.29 115.11 118.79 1m12 h GLN 48 Ca -0.14 -0.04 -0.13 0.00 0.77 0.00 0.00 58.65 59.10 1m12 h GLN 48 Cb 1.65 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 29.17 1m12 h GLN 48 CO 0.16 0.46 -0.23 1.49 -1.93 0.00 0.00 178.83 178.79 1m12 h GLU 49 N 0.72 0.97 0.07 1.69 4.81 -1.54 -0.45 114.58 120.85 1m12 h GLU 49 Ca 0.43 -0.43 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1m12 h GLU 49 Cb 0.49 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.85 1m12 h GLU 49 CO -0.30 1.09 -0.04 0.28 -0.73 0.00 0.00 179.01 179.32 1m12 h VAL 50 N 0.81 1.19 0.39 0.32 2.07 -1.03 -1.08 116.25 118.92 1m12 h VAL 50 Ca 0.10 -1.03 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 1m12 h VAL 50 Cb 0.81 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 32.43 1m12 h VAL 50 CO 0.07 0.25 -0.19 0.58 0.02 0.00 0.00 177.57 178.30 1m12 h VAL 51 N -0.57 0.63 -0.51 2.57 2.07 -0.51 0.80 116.25 120.72 1m12 h VAL 51 Ca -0.01 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.42 1m12 h VAL 51 Cb 0.49 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1m12 h VAL 51 CO 0.02 0.01 0.19 -0.78 0.02 0.00 0.00 177.57 177.02 1m12 h ASP 52 N -0.55 0.73 0.18 0.57 3.58 -1.16 0.23 116.42 120.00 1m12 h ASP 52 Ca -0.05 -0.19 -0.33 0.00 0.42 0.00 0.00 57.03 56.88 1m12 h ASP 52 Cb 0.42 -0.19 0.01 0.00 1.72 0.00 0.00 39.33 41.29 1m12 h ASP 52 CO 0.09 0.72 -1.64 0.74 -2.88 0.00 0.00 179.24 176.26 1m12 h THR 53 N 0.70 1.00 -0.54 2.25 2.02 -1.19 -3.38 112.91 113.78 1m12 h THR 53 Ca 0.17 -2.51 -0.31 0.00 0.77 0.00 0.00 66.41 64.52 1m12 h THR 53 Cb 0.23 2.80 -0.19 0.00 -1.74 0.00 0.00 68.15 69.26 1m12 h THR 53 CO -0.01 0.83 0.02 -1.22 0.37 0.00 0.00 175.52 175.50 1m12 n TYR 54 N -3.68 1.73 -0.07 3.16 4.01 0.28 -4.73 117.16 117.86 1m12 n TYR 54 Ca -0.24 -1.85 -0.10 0.00 -0.16 0.00 0.00 57.90 55.55 1m12 n TYR 54 Cb 1.04 -0.63 -0.09 0.00 -0.31 0.00 0.00 39.34 39.36 1m12 n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 1m12 h GLY 55 N 1.22 0.00 2.00 2.72 0.00 -0.50 -2.99 103.07 105.52 1m12 h GLY 55 Ca 0.33 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.57 1m12 h GLY 55 CO 0.64 0.00 -0.44 1.76 0.00 0.00 0.00 176.54 178.49 1m12 h SER 56 N -1.00 0.00 -0.01 0.19 0.02 -1.85 -2.92 113.55 107.98 1m12 h SER 56 Ca -0.02 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.85 1m12 h SER 56 Cb 0.71 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.26 1m12 h SER 56 CO -0.01 0.44 -0.31 0.28 -1.14 0.00 0.00 176.83 176.09 1m12 h SER 57 N 0.00 0.30 0.23 3.07 0.02 -1.88 -1.37 113.55 113.92 1m12 h SER 57 Ca -0.00 -0.74 0.01 0.00 -0.84 0.00 0.00 61.79 60.21 1m12 h SER 57 Cb 0.80 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 1m12 h SER 57 CO 0.06 1.00 -0.26 0.40 -1.14 0.00 0.00 176.83 176.88 1m12 h ILE 58 N -0.37 0.43 -0.03 3.27 2.04 -1.56 -0.10 117.51 121.20 1m12 h ILE 58 Ca -0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1m12 h ILE 58 Cb 1.04 0.43 -0.00 0.00 -0.74 0.00 0.00 36.82 37.55 1m12 h ILE 58 CO 0.06 0.00 0.04 0.25 0.00 0.00 0.00 178.15 178.50 1m12 h LEU 59 N -0.54 0.00 0.16 1.44 5.85 -1.60 -2.03 115.31 118.59 1m12 h LEU 59 Ca 0.00 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.42 1m12 h LEU 59 Cb 0.51 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.55 1m12 h LEU 59 CO -0.08 0.00 -1.44 0.28 -0.34 0.00 0.00 178.44 176.86 1m12 h SER 60 N 0.00 0.52 -0.15 1.25 0.02 0.12 -3.33 113.55 111.98 1m12 h SER 60 Ca 0.01 -0.62 -0.07 0.00 -0.84 0.00 0.00 61.79 60.28 1m12 h SER 60 Cb 0.09 -0.17 -0.00 0.00 0.14 0.00 0.00 62.40 62.46 1m12 h SER 60 CO -0.00 1.50 -0.16 0.40 -1.14 0.00 0.00 176.83 177.42 1m12 h ILE 61 N 0.09 1.35 -0.89 3.27 2.04 -0.56 -3.14 117.51 119.67 1m12 h ILE 61 Ca -0.22 -1.34 0.20 0.00 1.00 0.00 0.00 64.86 64.50 1m12 h ILE 61 Cb 2.04 1.89 -0.06 0.00 -0.74 0.00 0.00 36.82 39.95 1m12 h ILE 61 CO 0.20 0.40 0.59 -0.07 0.00 0.00 0.00 178.15 179.27 1m12 h LEU 62 N -0.00 0.37 -0.34 1.44 3.38 -1.55 0.60 115.31 119.21 1m12 h LEU 62 Ca 0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1m12 h LEU 62 Cb 0.71 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1m12 h LEU 62 CO 0.04 0.15 0.00 0.18 0.09 0.00 0.00 178.44 178.90 1m12 n LEU 63 N -4.49 0.65 -1.40 1.67 4.77 -1.19 -2.89 117.00 114.12 1m12 n LEU 63 Ca 0.19 0.61 -0.08 0.00 -0.03 0.00 0.00 56.01 56.70 1m12 n LEU 63 Cb 0.71 -0.46 0.06 0.00 -2.33 0.00 0.00 43.42 41.39 1m12 n LEU 63 CO 0.31 -0.36 0.76 -0.62 -1.33 0.00 0.00 177.39 176.15 1m12 n GLU 64 N -2.16 1.40 -2.67 3.23 -0.58 0.21 -4.82 120.64 115.25 1m12 n GLU 64 Ca 0.04 -0.97 -0.13 0.00 -0.42 0.00 0.00 57.16 55.68 1m12 n GLU 64 Cb 0.31 -1.38 -0.00 0.00 -0.57 0.00 0.00 31.44 29.80 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 -0.03 -2.61 -3.45 3.49 -0.58 -1.14 -4.93 120.64 111.38 1m12 n GLU 65 Ca 0.19 0.47 -0.35 0.00 -0.42 0.00 0.00 57.16 57.05 1m12 n GLU 65 Cb 0.88 -5.07 -0.06 0.00 -0.57 0.00 0.00 31.44 26.62 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 4.96 0.63 2.62 1.01 -1.26 -5.04 120.40 120.74 1m12 s VAL 66 Ca 0.09 0.67 -0.17 0.00 0.00 0.00 0.00 61.98 62.57 1m12 s VAL 66 Cb -0.05 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1m12 s VAL 66 CO 0.12 0.27 0.82 -1.54 0.00 0.00 0.00 175.10 174.76 1m12 n SER 67 N 0.87 0.08 -0.21 3.32 3.41 -1.26 -4.79 113.62 115.04 1m12 n SER 67 Ca -0.07 0.74 -0.07 0.00 -0.26 0.00 0.00 58.87 59.21 1m12 n SER 67 Cb 0.52 -1.32 0.06 0.00 -0.26 0.00 0.00 64.21 63.21 1m12 n SER 67 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1m12 h PRO 68 N 0.19 1.04 0.00 4.33 0.13 -1.97 -3.04 132.00 132.68 1m12 h PRO 68 Ca -0.47 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.36 1m12 h PRO 68 Cb 1.37 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.38 1m12 h PRO 68 CO 0.48 0.98 0.00 1.05 -0.23 0.00 0.00 178.00 180.29 1m12 h GLU 69 N 0.97 0.00 0.00 0.86 4.11 -2.00 -2.88 114.58 115.64 1m12 h GLU 69 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.62 1m12 h GLU 69 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1m12 h GLU 69 CO 0.02 0.00 0.00 -0.07 0.07 0.00 0.00 179.01 179.03 1m12 h LEU 70 N 0.00 0.00 0.42 3.06 3.38 -1.89 -3.18 115.31 117.10 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 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 1m12 h LEU 70 CO 0.00 0.00 -0.20 0.58 0.09 0.00 0.00 178.44 178.91 1m12 h VAL 71 N 0.00 0.54 0.00 1.22 2.07 -1.61 0.27 116.25 118.74 1m12 h VAL 71 Ca 0.00 -0.42 -0.04 0.00 0.82 0.00 0.00 66.70 67.06 1m12 h VAL 71 Cb 0.43 0.72 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1m12 h VAL 71 CO 0.00 0.07 -0.18 0.00 0.02 0.00 0.00 177.57 177.48 1m12 h SER 73 N 0.00 0.80 -0.21 0.00 0.87 -1.56 -2.55 113.55 110.89 1m12 h SER 73 Ca -0.00 -0.69 -0.19 0.00 -1.23 0.00 0.00 61.79 59.67 1m12 h SER 73 Cb 0.37 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1m12 h SER 73 CO 0.02 1.50 -0.61 0.24 -0.53 0.00 0.00 176.83 177.46 1m12 h MET 74 N 0.29 0.78 -0.37 2.24 2.86 -0.67 -2.94 114.93 117.12 1m12 h MET 74 Ca -0.15 -0.56 0.00 0.00 -2.06 0.00 0.00 59.70 56.93 1m12 h MET 74 Cb 1.79 0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.55 1m12 h MET 74 CO 0.21 1.18 0.00 1.28 1.06 0.00 0.00 176.91 180.65 1m12 n LEU 75 N -4.04 0.37 -1.72 1.22 4.77 -0.82 -4.76 117.00 112.03 1m12 n LEU 75 Ca -0.06 -0.19 -0.09 0.00 -0.03 0.00 0.00 56.01 55.65 1m12 n LEU 75 Cb 0.66 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.54 1m12 n LEU 75 CO 0.50 0.09 -0.09 1.41 -1.33 0.00 0.00 177.39 177.97 1m12 n HIS 76 N -0.10 -0.98 0.59 -1.77 8.25 -1.11 -4.73 115.22 115.37 1m12 n HIS 76 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1m12 n HIS 76 Cb 0.09 -2.10 0.27 0.00 1.12 0.00 0.00 29.99 29.37 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 -2.01 0.76 -4.43 2.41 7.94 -1.04 -4.87 117.00 115.77 1m12 n LEU 77 Ca -0.09 0.38 -0.21 0.00 -1.11 0.00 0.00 56.01 54.98 1m12 n LEU 77 Cb 0.40 -0.24 -0.10 0.00 0.53 0.00 0.00 43.42 44.00 1m12 n LEU 77 CO 0.13 -0.11 -0.31 0.00 -1.11 0.00 0.00 177.39 175.98 1m12 h SER 79 N 2.21 -0.03 0.00 0.00 4.64 -1.89 -3.46 113.55 115.02 1m12 h SER 79 Ca -0.40 -0.64 0.00 0.00 -0.47 0.00 0.00 61.79 60.28 1m12 h SER 79 Cb 1.24 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1m12 h SER 79 CO 0.69 0.65 0.00 0.61 -0.87 0.00 0.00 176.83 177.90 1m12 n GLY 80 N 0.80 3.96 0.28 -0.77 0.00 -1.26 -4.90 105.19 103.31 1m12 n GLY 80 Ca -0.09 -0.60 0.05 0.00 0.00 0.00 0.00 46.02 45.37 1m12 n GLY 80 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1m12 h LEU 81 N 0.00 0.00 -6.93 0.99 3.38 -1.98 -3.14 115.31 107.63 1m12 h LEU 81 Ca 0.00 0.00 -0.60 0.00 0.09 0.00 0.00 57.88 57.37 1m12 h LEU 81 Cb 0.00 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 40.35 1m12 h LEU 81 CO 0.00 0.00 -0.76 0.54 0.09 0.00 0.00 178.44 178.31 1m12 s VAL 82 N -3.77 1.03 -0.41 1.22 0.11 -1.26 -5.08 120.40 112.24 1m12 s VAL 82 Ca -0.01 -2.16 -0.29 0.00 -2.93 0.00 0.00 61.98 56.59 1m12 s VAL 82 Cb 0.03 -1.74 0.02 0.00 -1.53 0.00 0.00 36.38 33.16 1m12 s VAL 82 CO 0.08 -0.88 1.23 -2.16 -3.33 0.00 0.00 175.10 170.05 1m12 s PRO 83 N 0.74 3.76 0.00 1.54 0.04 -1.19 -5.17 135.00 134.72 1m12 s PRO 83 Ca 0.16 0.84 0.20 0.00 0.04 0.00 0.00 61.00 62.25 1m12 s PRO 83 Cb -0.23 -3.91 1.21 0.00 0.04 0.00 0.00 34.50 31.61 1m12 s PRO 83 CO -0.04 -1.33 1.60 2.89 0.04 0.00 0.00 177.00 180.15