#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 5.41 0.15 6.43 2.15 -1.26 -4.82 116.67 124.73 1m12 s ASP 2 Ca 0.00 0.37 0.11 0.00 0.43 0.00 0.00 52.55 53.45 1m12 s ASP 2 Cb 0.00 -2.53 0.57 0.00 -0.30 0.00 0.00 42.92 40.66 1m12 s ASP 2 CO 0.00 -2.27 1.32 1.33 -0.17 0.00 0.00 175.17 175.39 1m12 n VAL 3 N 7.17 1.52 -0.02 1.11 0.24 -1.26 -2.65 118.33 124.43 1m12 n VAL 3 Ca 0.19 0.60 -0.16 0.00 -2.04 0.00 0.00 64.34 62.94 1m12 n VAL 3 Cb 0.51 -1.60 -0.10 0.00 -1.47 0.00 0.00 33.84 31.18 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 0.43 -0.82 6.34 0.05 -1.91 -2.92 116.97 118.14 1m12 h TYR 4 Ca 0.00 -0.21 0.04 0.00 0.05 0.00 0.00 58.73 58.61 1m12 h TYR 4 Cb 0.01 -0.06 -0.05 0.00 1.01 0.00 0.00 36.73 37.64 1m12 h TYR 4 CO 0.00 0.98 0.52 0.00 -1.05 0.00 0.00 178.16 178.61 1m12 h GLU 6 N 0.99 0.91 -0.24 0.00 4.57 -1.63 -2.45 114.58 116.73 1m12 h GLU 6 Ca 0.33 -0.08 -0.15 0.00 -1.18 0.00 0.00 59.36 58.28 1m12 h GLU 6 Cb 0.05 -0.19 -0.00 0.00 -0.16 0.00 0.00 28.75 28.45 1m12 h GLU 6 CO -0.13 0.65 -0.42 0.28 -1.18 0.00 0.00 179.01 178.22 1m12 h VAL 7 N 0.91 1.31 -0.41 0.32 2.07 -1.20 -2.16 116.25 117.08 1m12 h VAL 7 Ca 0.24 -1.62 0.01 0.00 0.82 0.00 0.00 66.70 66.15 1m12 h VAL 7 Cb -0.02 1.75 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 1m12 h VAL 7 CO -0.04 0.51 0.27 0.00 0.02 0.00 0.00 177.57 178.33 1m12 h GLU 9 N 0.52 0.00 -0.12 0.00 4.39 -1.37 -2.65 114.58 115.35 1m12 h GLU 9 Ca 0.16 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.82 1m12 h GLU 9 Cb -0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1m12 h GLU 9 CO -0.04 0.79 -0.07 0.35 -1.16 0.00 0.00 179.01 178.88 1m12 h PHE 10 N 0.00 0.30 -0.43 4.33 3.57 -0.40 -1.00 116.94 123.31 1m12 h PHE 10 Ca -0.01 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 1m12 h PHE 10 Cb 1.53 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 40.18 1m12 h PHE 10 CO 0.00 0.62 0.19 -0.07 -2.23 0.00 0.00 178.31 176.82 1m12 h LEU 11 N -0.10 0.58 -0.32 0.59 3.38 -1.33 -1.62 115.31 116.48 1m12 h LEU 11 Ca 0.02 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.87 1m12 h LEU 11 Cb 0.55 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.12 1m12 h LEU 11 CO 0.02 0.57 0.16 0.58 0.09 0.00 0.00 178.44 179.86 1m12 h VAL 12 N 0.56 0.98 -0.81 1.22 2.07 -1.44 0.23 116.25 119.06 1m12 h VAL 12 Ca 0.15 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.60 1m12 h VAL 12 Cb 0.15 0.62 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 1m12 h VAL 12 CO -0.02 0.06 0.50 0.50 0.02 0.00 0.00 177.57 178.63 1m12 h LYS 13 N 0.33 0.90 -0.13 1.57 3.64 -0.89 -1.47 116.57 120.52 1m12 h LYS 13 Ca 0.14 -0.05 -0.19 0.00 -1.27 0.00 0.00 60.65 59.27 1m12 h LYS 13 Cb 0.05 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 31.67 1m12 h LYS 13 CO -0.10 0.60 -0.70 0.93 -2.27 0.00 0.00 179.45 177.91 1m12 h GLU 14 N 0.93 0.58 -0.47 1.90 4.39 -0.67 -3.09 114.58 118.15 1m12 h GLU 14 Ca 0.35 -0.45 -0.08 0.00 0.34 0.00 0.00 59.36 59.52 1m12 h GLU 14 Cb 0.13 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1m12 h GLU 14 CO -0.16 1.07 -0.01 0.28 -1.16 0.00 0.00 179.01 179.04 1m12 h VAL 15 N 0.41 1.26 -0.75 3.13 2.07 0.00 -2.38 116.25 120.00 1m12 h VAL 15 Ca -0.03 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.37 1m12 h VAL 15 Cb 1.29 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 1m12 h VAL 15 CO 0.13 0.37 0.27 0.71 0.02 0.00 0.00 177.57 179.07 1m12 h THR 16 N 0.69 1.26 -0.30 2.57 1.35 -1.30 0.60 112.91 117.78 1m12 h THR 16 Ca 0.13 -0.86 -0.02 0.00 -0.55 0.00 0.00 66.41 65.12 1m12 h THR 16 Cb 0.52 0.39 -0.02 0.00 -1.73 0.00 0.00 68.15 67.32 1m12 h THR 16 CO 0.03 0.34 0.09 0.50 -0.25 0.00 0.00 175.52 176.23 1m12 h LYS 17 N 1.10 0.42 -0.20 4.72 3.64 -1.45 1.10 116.57 125.92 1m12 h LYS 17 Ca 0.25 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.38 1m12 h LYS 17 Cb 0.26 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1m12 h LYS 17 CO -0.01 0.38 -0.64 -0.07 -2.27 0.00 0.00 179.45 176.84 1m12 h LEU 18 N 0.42 0.81 -0.79 5.20 3.38 -0.59 0.17 115.31 123.92 1m12 h LEU 18 Ca 0.10 -0.47 -0.13 0.00 0.09 0.00 0.00 57.88 57.47 1m12 h LEU 18 Cb 0.14 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 1m12 h LEU 18 CO -0.01 1.24 -0.52 0.40 0.09 0.00 0.00 178.44 179.65 1m12 h ILE 19 N 0.52 1.36 0.00 1.22 2.04 0.16 -2.56 117.51 120.25 1m12 h ILE 19 Ca -0.01 -1.78 -0.07 0.00 1.00 0.00 0.00 64.86 64.00 1m12 h ILE 19 Cb 1.23 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 1m12 h ILE 19 CO 0.13 0.53 -0.31 0.44 0.00 0.00 0.00 178.15 178.93 1m12 h ASP 20 N 0.18 0.00 -0.08 1.72 3.32 0.15 -3.03 116.42 118.68 1m12 h ASP 20 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1m12 h ASP 20 Cb 0.97 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.52 1m12 h ASP 20 CO 0.08 0.31 0.00 -3.20 -1.72 0.00 0.00 179.24 174.71 1m12 n ASN 21 N -3.26 1.27 -0.83 6.45 4.05 0.58 -4.94 115.26 118.58 1m12 n ASN 21 Ca 0.02 -1.53 -0.02 0.00 0.45 0.00 0.00 54.58 53.49 1m12 n ASN 21 Cb 0.59 -0.05 0.01 0.00 1.23 0.00 0.00 39.78 41.56 1m12 n ASN 21 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 1m12 n ASN 22 N 0.02 -2.34 -4.91 1.20 3.02 -1.14 -5.06 115.26 106.05 1m12 n ASN 22 Ca 0.18 -0.05 -0.30 0.00 -0.03 0.00 0.00 54.58 54.38 1m12 n ASN 22 Cb 0.29 -0.90 -0.04 0.00 -0.61 0.00 0.00 39.78 38.52 1m12 n ASN 22 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1m12 s LYS 23 N -4.98 3.57 0.79 3.52 1.02 -1.09 -5.07 119.74 117.50 1m12 s LYS 23 Ca 0.04 -0.20 -0.12 0.00 0.02 0.00 0.00 55.97 55.72 1m12 s LYS 23 Cb -0.02 -2.86 0.07 0.00 -0.52 0.00 0.00 37.83 34.49 1m12 s LYS 23 CO 0.06 0.46 1.14 0.95 -0.92 0.00 0.00 175.35 177.04 1m12 s THR 24 N -1.71 2.62 0.18 2.17 -4.23 -1.26 -4.84 115.64 108.57 1m12 s THR 24 Ca 0.40 0.20 -0.13 0.00 -1.18 0.00 0.00 61.69 60.98 1m12 s THR 24 Cb -0.12 -3.12 0.08 0.00 1.34 0.00 0.00 72.50 70.68 1m12 s THR 24 CO 0.26 -0.26 1.83 -0.08 -0.54 0.00 0.00 174.62 175.83 1m12 h GLU 25 N -1.00 0.67 -0.56 3.99 4.81 -2.00 -1.55 114.58 118.93 1m12 h GLU 25 Ca -0.47 -0.04 0.12 0.00 -0.13 0.00 0.00 59.36 58.84 1m12 h GLU 25 Cb 1.30 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 1m12 h GLU 25 CO 0.64 0.45 0.38 -0.22 -0.73 0.00 0.00 179.01 179.53 1m12 h LYS 26 N 0.70 0.26 0.01 1.92 3.11 -2.00 -1.49 116.57 119.07 1m12 h LYS 26 Ca 0.22 -0.02 -0.23 0.00 -2.81 0.00 0.00 60.65 57.81 1m12 h LYS 26 Cb -0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.16 1m12 h LYS 26 CO -0.08 0.17 -0.96 0.93 -2.81 0.00 0.00 179.45 176.70 1m12 h GLU 27 N 0.26 0.40 -0.64 1.90 5.08 -1.65 -2.42 114.58 117.51 1m12 h GLU 27 Ca 0.26 -0.44 -0.09 0.00 -1.00 0.00 0.00 59.36 58.10 1m12 h GLU 27 Cb 0.69 0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 1m12 h GLU 27 CO -0.06 1.11 0.06 0.82 -1.00 0.00 0.00 179.01 179.94 1m12 h ILE 28 N 0.22 1.27 0.00 3.13 2.04 -0.96 -0.70 117.51 122.50 1m12 h ILE 28 Ca -0.08 -1.10 -0.12 0.00 1.00 0.00 0.00 64.86 64.56 1m12 h ILE 28 Cb 1.60 0.71 -0.02 0.00 -0.74 0.00 0.00 36.82 38.37 1m12 h ILE 28 CO 0.17 0.41 -0.58 -0.07 0.00 0.00 0.00 178.15 178.07 1m12 h LEU 29 N 1.01 0.00 -0.21 1.44 3.38 -1.49 -2.62 115.31 116.81 1m12 h LEU 29 Ca 0.19 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.08 1m12 h LEU 29 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 1m12 h LEU 29 CO 0.02 0.58 -0.17 -0.78 0.09 0.00 0.00 178.44 178.18 1m12 h ASP 30 N 0.00 0.52 0.57 -0.43 1.82 -0.92 -3.02 116.42 114.96 1m12 h ASP 30 Ca -0.01 -0.45 -0.04 0.00 -0.39 0.00 0.00 57.03 56.14 1m12 h ASP 30 Cb 1.08 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 40.94 1m12 h ASP 30 CO 0.08 0.86 -0.17 0.00 -1.61 0.00 0.00 179.24 178.39 1m12 h ALA 31 N 0.67 1.18 0.00 -0.78 0.00 -1.06 -2.54 119.26 116.73 1m12 h ALA 31 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1m12 h ALA 31 Cb 0.70 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1m12 h ALA 31 CO 0.04 0.22 0.22 1.19 0.00 0.00 0.00 179.25 180.92 1m12 n PHE 32 N -3.56 0.25 0.28 0.00 3.01 -1.00 0.14 117.46 116.59 1m12 n PHE 32 Ca -0.01 0.13 0.12 0.00 1.01 0.00 0.00 57.45 58.70 1m12 n PHE 32 Cb 0.32 -0.54 0.18 0.00 -0.01 0.00 0.00 39.48 39.43 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 3.58 -1.62 -3.34 116.42 119.41 1m12 h ASP 33 Ca 0.00 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.44 1m12 h ASP 33 Cb 0.44 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.49 1m12 h ASP 33 CO 0.00 0.01 -0.03 2.29 -2.88 0.00 0.00 179.24 178.63 1m12 n LYS 34 N -2.85 1.44 0.05 0.28 2.85 0.12 -4.79 118.16 115.27 1m12 n LYS 34 Ca 0.03 -1.10 -0.21 0.00 -1.05 0.00 0.00 58.31 55.98 1m12 n LYS 34 Cb 0.51 -0.78 -0.15 0.00 -0.65 0.00 0.00 35.03 33.96 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 0.32 0.00 -1.58 4.05 -1.36 -2.99 114.93 113.37 1m12 h MET 35 Ca 0.00 -0.54 0.00 0.00 -0.28 0.00 0.00 59.70 58.88 1m12 h MET 35 Cb 0.79 0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.80 1m12 h MET 35 CO 0.00 1.26 0.00 0.00 0.23 0.00 0.00 176.91 178.40 1m12 n SER 37 N -1.17 1.18 -0.10 0.00 2.88 -1.13 -3.48 113.62 111.81 1m12 n SER 37 Ca 0.04 -2.07 0.07 0.00 -1.33 0.00 0.00 58.87 55.58 1m12 n SER 37 Cb 0.04 -0.30 0.11 0.00 -0.75 0.00 0.00 64.21 63.30 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 -0.03 1.83 -4.69 -1.46 5.02 -0.60 -5.01 118.16 113.22 1m12 n LYS 38 Ca 0.04 -2.30 -0.25 0.00 -2.02 0.00 0.00 58.31 53.78 1m12 n LYS 38 Cb 0.25 -1.38 -0.14 0.00 -0.02 0.00 0.00 35.03 33.73 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 -2.35 2.12 0.92 -0.35 1.43 -1.23 -5.12 118.68 114.10 1m12 s LEU 39 Ca 0.24 -0.44 -0.15 0.00 -1.03 0.00 0.00 54.13 52.74 1m12 s LEU 39 Cb 0.21 -0.91 -0.07 0.00 0.03 0.00 0.00 46.19 45.45 1m12 s LEU 39 CO 0.03 0.17 -0.17 -2.65 0.23 0.00 0.00 176.35 173.95 1m12 n PRO 40 N 2.14 -0.08 0.20 1.29 -0.02 -1.26 -4.76 135.00 132.50 1m12 n PRO 40 Ca -0.16 -0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.46 1m12 n PRO 40 Cb 0.54 -1.41 0.69 0.00 -0.02 0.00 0.00 33.50 33.29 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 -1.10 0.00 0.00 -0.52 3.64 -2.00 -2.91 116.57 113.69 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 -2.52 0.68 -0.25 4.20 2.88 -1.26 -2.73 113.62 114.61 1m12 n SER 42 Ca -0.00 0.65 0.03 0.00 -1.33 0.00 0.00 58.87 58.22 1m12 n SER 42 Cb 0.14 -0.80 0.02 0.00 -0.75 0.00 0.00 64.21 62.83 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 -2.23 1.47 -0.02 2.46 4.77 -1.10 -4.79 117.00 117.55 1m12 n LEU 43 Ca 0.03 -0.96 -0.01 0.00 -0.03 0.00 0.00 56.01 55.04 1m12 n LEU 43 Cb 0.26 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1m12 n LEU 43 CO 0.21 0.30 0.43 -1.20 -1.33 0.00 0.00 177.39 175.80 1m12 n SER 44 N 0.26 -0.06 -0.04 -1.43 7.64 -1.11 -2.93 113.62 115.96 1m12 n SER 44 Ca 0.04 0.90 -0.08 0.00 1.01 0.00 0.00 58.87 60.74 1m12 n SER 44 Cb 0.16 -0.41 -0.02 0.00 -1.01 0.00 0.00 64.21 62.93 1m12 n SER 44 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1m12 h GLU 45 N 0.00 -0.20 -0.01 1.43 4.39 -1.87 -1.96 114.58 116.37 1m12 h GLU 45 Ca 0.01 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.72 1m12 h GLU 45 Cb 0.02 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1m12 h GLU 45 CO -0.05 -0.13 0.01 0.93 -1.16 0.00 0.00 179.01 178.60 1m12 h GLU 46 N -0.20 0.00 -0.00 2.33 3.07 -1.90 -1.38 114.58 116.50 1m12 h GLU 46 Ca 0.13 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.86 1m12 h GLU 46 Cb 0.40 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 28.32 1m12 h GLU 46 CO -0.34 0.00 -0.49 0.00 -1.40 0.00 0.00 179.01 176.78 1m12 h GLN 48 N -0.22 0.69 -0.47 0.00 5.75 -0.95 0.42 115.11 120.34 1m12 h GLN 48 Ca -0.06 -0.04 -0.13 0.00 -0.15 0.00 0.00 58.65 58.26 1m12 h GLN 48 Cb 1.22 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 29.60 1m12 h GLN 48 CO 0.10 0.46 -0.23 0.93 -2.65 0.00 0.00 178.83 177.44 1m12 h GLU 49 N 0.71 0.98 0.13 1.69 5.08 -1.45 -0.18 114.58 121.54 1m12 h GLU 49 Ca 0.46 -0.43 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1m12 h GLU 49 Cb 0.59 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1m12 h GLU 49 CO -0.33 1.10 -0.06 0.28 -1.00 0.00 0.00 179.01 179.00 1m12 h VAL 50 N 0.84 1.05 0.40 3.13 2.07 -0.57 -1.09 116.25 122.09 1m12 h VAL 50 Ca 0.11 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1m12 h VAL 50 Cb 0.81 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 32.20 1m12 h VAL 50 CO 0.07 0.22 -0.19 0.58 0.02 0.00 0.00 177.57 178.26 1m12 h VAL 51 N -0.64 0.61 -0.59 2.57 2.07 -0.25 0.84 116.25 120.85 1m12 h VAL 51 Ca -0.02 -0.05 -0.04 0.00 0.82 0.00 0.00 66.70 67.42 1m12 h VAL 51 Cb 0.49 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1m12 h VAL 51 CO 0.03 0.01 0.23 -0.78 0.02 0.00 0.00 177.57 177.08 1m12 h ASP 52 N -0.57 0.82 0.18 0.57 3.58 -1.11 0.25 116.42 120.13 1m12 h ASP 52 Ca -0.06 -0.17 -0.35 0.00 0.42 0.00 0.00 57.03 56.87 1m12 h ASP 52 Cb 0.43 -0.21 0.01 0.00 1.72 0.00 0.00 39.33 41.28 1m12 h ASP 52 CO 0.09 0.77 -1.77 0.74 -2.88 0.00 0.00 179.24 176.19 1m12 h THR 53 N 0.82 0.91 -0.51 2.25 2.02 -1.18 -3.38 112.91 113.84 1m12 h THR 53 Ca 0.20 -2.49 -0.28 0.00 0.77 0.00 0.00 66.41 64.60 1m12 h THR 53 Cb 0.21 2.74 -0.17 0.00 -1.74 0.00 0.00 68.15 69.20 1m12 h THR 53 CO -0.01 0.86 0.03 -1.22 0.37 0.00 0.00 175.52 175.54 1m12 n TYR 54 N -3.60 1.60 -0.07 3.16 4.02 0.29 -4.72 117.16 117.84 1m12 n TYR 54 Ca -0.25 -1.77 -0.12 0.00 -0.01 0.00 0.00 57.90 55.75 1m12 n TYR 54 Cb 1.07 -0.60 -0.10 0.00 -0.02 0.00 0.00 39.34 39.68 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 1.12 0.00 2.00 2.72 0.00 -0.47 -2.85 103.07 105.60 1m12 h GLY 55 Ca 0.32 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.56 1m12 h GLY 55 CO 0.58 0.00 -0.43 1.76 0.00 0.00 0.00 176.54 178.46 1m12 h SER 56 N -1.00 0.00 0.02 0.19 0.02 -1.85 -2.98 113.55 107.95 1m12 h SER 56 Ca -0.02 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.83 1m12 h SER 56 Cb 0.81 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.36 1m12 h SER 56 CO -0.01 0.43 -0.39 0.77 -1.14 0.00 0.00 176.83 176.48 1m12 h SER 57 N 0.00 0.31 0.11 3.07 4.64 -1.87 -2.09 113.55 117.72 1m12 h SER 57 Ca -0.00 -0.81 0.01 0.00 -0.47 0.00 0.00 61.79 60.52 1m12 h SER 57 Cb 0.78 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.75 1m12 h SER 57 CO 0.06 1.09 -0.21 0.40 -0.87 0.00 0.00 176.83 177.30 1m12 h ILE 58 N -0.42 0.53 0.00 0.95 2.04 -1.54 -0.54 117.51 118.53 1m12 h ILE 58 Ca -0.05 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.80 1m12 h ILE 58 Cb 1.16 0.53 -0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1m12 h ILE 58 CO 0.08 0.00 -0.05 0.25 0.00 0.00 0.00 178.15 178.42 1m12 h LEU 59 N -0.39 0.00 0.10 1.44 5.85 -1.63 -1.92 115.31 118.77 1m12 h LEU 59 Ca 0.03 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.47 1m12 h LEU 59 Cb 0.41 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.45 1m12 h LEU 59 CO -0.11 0.05 -1.23 -1.28 -0.34 0.00 0.00 178.44 175.53 1m12 h SER 60 N 0.00 0.47 -0.04 1.25 0.87 -0.42 -3.19 113.55 112.49 1m12 h SER 60 Ca -0.00 -0.49 -0.02 0.00 -1.23 0.00 0.00 61.79 60.06 1m12 h SER 60 Cb 0.15 -0.15 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 1m12 h SER 60 CO 0.01 1.37 -0.04 0.40 -0.53 0.00 0.00 176.83 178.04 1m12 h ILE 61 N 0.10 1.37 -1.01 2.23 2.04 -0.57 -3.07 117.51 118.61 1m12 h ILE 61 Ca -0.14 -1.17 0.10 0.00 1.00 0.00 0.00 64.86 64.65 1m12 h ILE 61 Cb 1.94 2.07 -0.08 0.00 -0.74 0.00 0.00 36.82 40.01 1m12 h ILE 61 CO 0.21 0.32 0.64 -0.07 0.00 0.00 0.00 178.15 179.24 1m12 h LEU 62 N -0.35 0.97 -1.13 1.44 3.38 -1.49 0.68 115.31 118.81 1m12 h LEU 62 Ca 0.01 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1m12 h LEU 62 Cb 0.53 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1m12 h LEU 62 CO 0.01 0.55 0.00 -0.07 0.09 0.00 0.00 178.44 179.02 1m12 h LEU 63 N 1.06 0.00 -3.22 1.67 4.07 -1.53 -2.49 115.31 114.86 1m12 h LEU 63 Ca 0.48 0.00 -0.29 0.00 0.08 0.00 0.00 57.88 58.15 1m12 h LEU 63 Cb 0.39 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 41.98 1m12 h LEU 63 CO -0.24 0.00 0.38 1.21 -1.08 0.00 0.00 178.44 178.71 1m12 n GLU 64 N -2.39 1.72 -2.50 1.13 4.07 0.24 -4.84 120.64 118.06 1m12 n GLU 64 Ca 0.01 -1.55 -0.05 0.00 -0.06 0.00 0.00 57.16 55.51 1m12 n GLU 64 Cb 0.17 -1.61 -0.00 0.00 -0.06 0.00 0.00 31.44 29.94 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 -0.02 -2.70 -3.41 5.31 -0.58 -0.94 -4.91 120.64 113.38 1m12 n GLU 65 Ca 0.30 0.22 -0.35 0.00 -0.42 0.00 0.00 57.16 56.92 1m12 n GLU 65 Cb 0.85 -4.76 -0.06 0.00 -0.57 0.00 0.00 31.44 26.89 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 -2.24 4.91 0.65 2.62 1.01 -1.25 -5.03 120.40 121.06 1m12 s VAL 66 Ca 0.01 0.74 -0.17 0.00 0.00 0.00 0.00 61.98 62.56 1m12 s VAL 66 Cb -0.01 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.60 1m12 s VAL 66 CO 0.01 0.26 0.63 -1.20 0.00 0.00 0.00 175.10 174.80 1m12 n SER 67 N 0.84 -0.70 -0.16 3.32 7.64 -1.26 -4.78 113.62 118.53 1m12 n SER 67 Ca -0.06 0.69 -0.10 0.00 1.01 0.00 0.00 58.87 60.40 1m12 n SER 67 Cb 0.52 -1.24 -0.01 0.00 -1.01 0.00 0.00 64.21 62.47 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 0.01 0.82 0.00 1.43 0.13 -1.97 -3.08 132.00 129.34 1m12 h PRO 68 Ca -0.46 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.39 1m12 h PRO 68 Cb 1.37 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1m12 h PRO 68 CO 0.46 0.90 0.00 -0.85 -0.23 0.00 0.00 178.00 178.28 1m12 n GLU 69 N -4.34 0.17 0.15 0.86 0.28 -1.26 -2.46 120.64 114.04 1m12 n GLU 69 Ca -0.00 0.21 0.13 0.00 -0.16 0.00 0.00 57.16 57.34 1m12 n GLU 69 Cb 0.33 -1.73 0.47 0.00 1.43 0.00 0.00 31.44 31.95 1m12 n GLU 69 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 177.13 176.90 1m12 h LEU 70 N 0.00 0.00 0.47 -1.84 3.38 -1.90 -3.22 115.31 112.20 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 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1m12 h LEU 70 CO 0.00 0.00 -0.22 0.58 0.09 0.00 0.00 178.44 178.89 1m12 h VAL 71 N 0.00 0.45 0.00 1.22 2.07 -1.58 0.20 116.25 118.62 1m12 h VAL 71 Ca 0.00 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 1m12 h VAL 71 Cb 0.54 0.62 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 1m12 h VAL 71 CO 0.00 0.06 -0.11 0.00 0.02 0.00 0.00 177.57 177.54 1m12 h SER 73 N 0.00 0.86 -0.22 0.00 0.02 -1.54 -2.31 113.55 110.36 1m12 h SER 73 Ca -0.00 -0.84 -0.20 0.00 -0.84 0.00 0.00 61.79 59.91 1m12 h SER 73 Cb 0.23 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.50 1m12 h SER 73 CO 0.01 1.62 -0.62 0.24 -1.14 0.00 0.00 176.83 176.94 1m12 h MET 74 N 0.23 0.81 -0.52 3.45 2.86 -0.29 -2.99 114.93 118.48 1m12 h MET 74 Ca -0.20 -0.58 0.00 0.00 -2.06 0.00 0.00 59.70 56.86 1m12 h MET 74 Cb 1.94 0.09 0.00 0.00 0.06 0.00 0.00 31.60 33.70 1m12 h MET 74 CO 0.24 1.20 0.00 1.28 1.06 0.00 0.00 176.91 180.69 1m12 n LEU 75 N -4.01 0.52 -1.53 1.22 4.77 -0.72 -4.75 117.00 112.49 1m12 n LEU 75 Ca -0.06 -0.26 -0.06 0.00 -0.03 0.00 0.00 56.01 55.60 1m12 n LEU 75 Cb 0.67 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.48 1m12 n LEU 75 CO 0.51 0.13 -0.06 0.00 -1.33 0.00 0.00 177.39 176.63 1m12 n HIS 76 N 0.08 -0.98 0.66 -1.77 1.44 -1.13 -4.70 115.22 108.83 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 -1.77 0.31 0.00 0.12 0.00 0.00 29.99 28.78 1m12 n HIS 76 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 1m12 n LEU 77 N -1.75 0.67 0.00 2.39 7.94 -1.09 -4.89 117.00 120.27 1m12 n LEU 77 Ca -0.06 0.37 0.00 0.00 -1.11 0.00 0.00 56.01 55.21 1m12 n LEU 77 Cb 0.30 -0.27 0.00 0.00 0.53 0.00 0.00 43.42 43.98 1m12 n LEU 77 CO 0.09 -0.09 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 1m12 n SER 79 N 0.00 0.00 0.00 0.00 3.41 -1.26 -4.90 113.62 110.86 1m12 n SER 79 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1m12 n SER 79 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1m12 n SER 79 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1m12 n GLY 80 N -0.06 -0.55 0.79 5.00 0.00 -1.26 -3.33 105.19 105.79 1m12 n GLY 80 Ca 0.00 -1.14 -0.00 0.00 0.00 0.00 0.00 46.02 44.88 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 2.15 -3.51 0.99 4.77 -1.26 -4.51 117.00 115.63 1m12 n LEU 81 Ca 0.00 -1.08 -0.27 0.00 -0.03 0.00 0.00 56.01 54.63 1m12 n LEU 81 Cb 0.00 -0.51 -0.14 0.00 -2.33 0.00 0.00 43.42 40.45 1m12 n LEU 81 CO 0.00 0.39 -0.30 0.54 -1.33 0.00 0.00 177.39 176.69 1m12 s VAL 82 N -0.55 -0.11 -0.52 4.08 0.11 -1.21 -5.04 120.40 117.17 1m12 s VAL 82 Ca 0.01 -0.82 -0.25 0.00 -2.93 0.00 0.00 61.98 57.99 1m12 s VAL 82 Cb 0.01 -0.99 -0.23 0.00 -1.53 0.00 0.00 36.38 33.64 1m12 s VAL 82 CO 0.00 -0.71 1.81 -0.81 -3.33 0.00 0.00 175.10 172.06 1m12 n PRO 83 N 5.11 0.98 0.00 1.54 -0.04 -1.26 -4.74 135.00 136.59 1m12 n PRO 83 Ca -0.03 -1.57 0.03 0.00 -0.04 0.00 0.00 63.50 61.90 1m12 n PRO 83 Cb 0.42 -2.80 0.21 0.00 -0.04 0.00 0.00 33.50 31.29 1m12 n PRO 83 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33