#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 5.64 0.18 -3.46 2.15 -1.26 -4.83 116.67 115.09 1m12 s ASP 2 Ca 0.00 1.02 0.18 0.00 0.43 0.00 0.00 52.55 54.18 1m12 s ASP 2 Cb 0.00 -2.53 0.81 0.00 -0.30 0.00 0.00 42.92 40.91 1m12 s ASP 2 CO 0.00 -1.96 1.55 1.33 -0.17 0.00 0.00 175.17 175.92 1m12 n VAL 3 N 7.39 1.06 -0.04 1.11 0.24 -1.26 -3.35 118.33 123.47 1m12 n VAL 3 Ca 0.23 0.38 -0.13 0.00 -2.04 0.00 0.00 64.34 62.77 1m12 n VAL 3 Cb 0.49 -1.29 -0.11 0.00 -1.47 0.00 0.00 33.84 31.45 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 -0.85 6.34 0.05 -1.94 -3.06 116.97 117.51 1m12 h TYR 4 Ca 0.00 -0.00 0.09 0.00 0.05 0.00 0.00 58.73 58.87 1m12 h TYR 4 Cb 0.21 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 37.88 1m12 h TYR 4 CO 0.00 0.75 0.50 0.00 -1.05 0.00 0.00 178.16 178.36 1m12 h GLU 6 N 0.85 0.75 -0.13 0.00 4.81 -1.63 -2.26 114.58 116.96 1m12 h GLU 6 Ca 0.40 -0.05 -0.20 0.00 -0.13 0.00 0.00 59.36 59.39 1m12 h GLU 6 Cb 0.34 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.55 1m12 h GLU 6 CO -0.23 0.50 -0.72 0.28 -0.73 0.00 0.00 179.01 178.10 1m12 h VAL 7 N 0.77 1.32 -0.05 0.32 2.07 -1.19 -2.58 116.25 116.93 1m12 h VAL 7 Ca 0.35 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.86 1m12 h VAL 7 Cb 0.24 1.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.00 1m12 h VAL 7 CO -0.20 0.62 0.03 0.00 0.02 0.00 0.00 177.57 178.04 1m12 h GLU 9 N 0.05 0.00 -0.10 0.00 4.39 -1.46 -1.56 114.58 115.91 1m12 h GLU 9 Ca 0.02 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 1m12 h GLU 9 Cb -0.00 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1m12 h GLU 9 CO -0.01 0.14 -0.11 0.35 -1.16 0.00 0.00 179.01 178.22 1m12 h PHE 10 N 0.00 0.31 -0.52 4.33 3.57 -0.81 -1.73 116.94 122.08 1m12 h PHE 10 Ca -0.00 -0.10 -0.02 0.00 3.53 0.00 0.00 57.97 61.39 1m12 h PHE 10 Cb 0.26 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1m12 h PHE 10 CO 0.00 0.69 0.27 -0.07 -2.23 0.00 0.00 178.31 176.97 1m12 h LEU 11 N -0.16 0.67 -0.28 0.59 3.38 -0.83 -1.35 115.31 117.33 1m12 h LEU 11 Ca 0.01 -0.11 0.02 0.00 0.09 0.00 0.00 57.88 57.89 1m12 h LEU 11 Cb 0.65 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 1m12 h LEU 11 CO 0.03 0.60 0.14 0.58 0.09 0.00 0.00 178.44 179.87 1m12 h VAL 12 N 0.70 0.99 -0.68 1.22 2.07 -1.29 0.42 116.25 119.69 1m12 h VAL 12 Ca 0.18 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.64 1m12 h VAL 12 Cb 0.09 0.67 -0.05 0.00 -1.52 0.00 0.00 31.29 30.48 1m12 h VAL 12 CO -0.03 0.05 0.41 0.50 0.02 0.00 0.00 177.57 178.53 1m12 h LYS 13 N 0.30 0.76 -0.21 1.57 3.64 -0.99 -0.58 116.57 121.06 1m12 h LYS 13 Ca 0.12 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.28 1m12 h LYS 13 Cb 0.03 -0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 31.68 1m12 h LYS 13 CO -0.08 0.50 -0.55 0.93 -2.27 0.00 0.00 179.45 177.98 1m12 h GLU 14 N 0.78 0.63 -0.32 1.90 5.08 -0.68 -3.04 114.58 118.93 1m12 h GLU 14 Ca 0.29 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 1m12 h GLU 14 Cb 0.09 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 1m12 h GLU 14 CO -0.14 1.01 -0.12 0.28 -1.00 0.00 0.00 179.01 179.05 1m12 h VAL 15 N 0.48 1.29 -0.75 3.13 2.07 0.46 -2.49 116.25 120.43 1m12 h VAL 15 Ca 0.01 -1.20 -0.05 0.00 0.82 0.00 0.00 66.70 66.28 1m12 h VAL 15 Cb 1.11 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 1m12 h VAL 15 CO 0.11 0.39 0.28 0.71 0.02 0.00 0.00 177.57 179.08 1m12 h THR 16 N 0.42 1.25 -0.24 2.57 1.35 -1.14 0.54 112.91 117.66 1m12 h THR 16 Ca 0.08 -0.82 -0.03 0.00 -0.55 0.00 0.00 66.41 65.09 1m12 h THR 16 Cb 0.63 0.37 -0.01 0.00 -1.73 0.00 0.00 68.15 67.41 1m12 h THR 16 CO 0.04 0.33 0.03 0.50 -0.25 0.00 0.00 175.52 176.17 1m12 h LYS 17 N 1.10 0.35 -0.19 4.72 3.64 -1.47 1.11 116.57 125.82 1m12 h LYS 17 Ca 0.25 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.40 1m12 h LYS 17 Cb 0.23 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1m12 h LYS 17 CO -0.02 0.35 -0.60 -0.07 -2.27 0.00 0.00 179.45 176.84 1m12 h LEU 18 N 0.34 0.71 -0.69 5.20 -0.00 -0.61 0.12 115.31 120.38 1m12 h LEU 18 Ca 0.08 -0.40 -0.14 0.00 -0.00 0.00 0.00 57.88 57.42 1m12 h LEU 18 Cb 0.18 -0.20 -0.01 0.00 -0.00 0.00 0.00 40.66 40.63 1m12 h LEU 18 CO 0.00 1.14 -0.56 0.40 -0.00 0.00 0.00 178.44 179.43 1m12 h ILE 19 N 0.47 1.36 0.00 1.22 2.04 0.17 -2.66 117.51 120.10 1m12 h ILE 19 Ca -0.00 -1.86 -0.05 0.00 1.00 0.00 0.00 64.86 63.95 1m12 h ILE 19 Cb 1.17 1.90 -0.01 0.00 -0.74 0.00 0.00 36.82 39.14 1m12 h ILE 19 CO 0.12 0.55 -0.23 0.44 0.00 0.00 0.00 178.15 179.03 1m12 h ASP 20 N 0.22 0.00 -0.09 1.72 3.32 0.16 -2.96 116.42 118.79 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 1.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1m12 h ASP 20 CO 0.09 0.23 0.00 -3.20 -1.72 0.00 0.00 179.24 174.64 1m12 n ASN 21 N -3.25 1.38 -0.71 6.45 5.15 0.39 -4.93 115.26 119.74 1m12 n ASN 21 Ca 0.02 -1.57 -0.01 0.00 -0.60 0.00 0.00 54.58 52.41 1m12 n ASN 21 Cb 0.53 -0.05 0.00 0.00 -0.53 0.00 0.00 39.78 39.72 1m12 n ASN 21 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 1m12 n ASN 22 N 0.11 -2.22 -4.91 1.20 4.13 -1.12 -5.07 115.26 107.38 1m12 n ASN 22 Ca 0.17 -0.03 -0.30 0.00 1.68 0.00 0.00 54.58 56.11 1m12 n ASN 22 Cb 0.30 -0.75 -0.04 0.00 -1.54 0.00 0.00 39.78 37.76 1m12 n ASN 22 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1m12 s LYS 23 N -4.98 3.57 0.68 3.52 1.02 -1.08 -5.07 119.74 117.39 1m12 s LYS 23 Ca 0.03 -0.21 -0.11 0.00 0.02 0.00 0.00 55.97 55.71 1m12 s LYS 23 Cb -0.01 -2.84 0.01 0.00 -0.52 0.00 0.00 37.83 34.46 1m12 s LYS 23 CO 0.04 0.43 1.06 0.95 -0.92 0.00 0.00 175.35 176.91 1m12 s THR 24 N -1.76 3.61 0.20 2.17 -4.23 -1.26 -4.83 115.64 109.53 1m12 s THR 24 Ca 0.40 0.44 -0.11 0.00 -1.18 0.00 0.00 61.69 61.24 1m12 s THR 24 Cb -0.12 -3.50 0.11 0.00 1.34 0.00 0.00 72.50 70.33 1m12 s THR 24 CO 0.27 -0.64 1.81 -0.08 -0.54 0.00 0.00 174.62 175.44 1m12 h GLU 25 N -0.55 0.64 -0.69 3.99 4.81 -2.00 -1.35 114.58 119.43 1m12 h GLU 25 Ca -0.45 -0.04 0.14 0.00 -0.13 0.00 0.00 59.36 58.88 1m12 h GLU 25 Cb 1.25 -0.14 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 1m12 h GLU 25 CO 0.63 0.42 0.47 0.87 -0.73 0.00 0.00 179.01 180.67 1m12 h LYS 26 N 0.66 0.36 0.03 1.92 1.57 -2.00 -1.66 116.57 117.46 1m12 h LYS 26 Ca 0.26 -0.02 -0.24 0.00 -1.87 0.00 0.00 60.65 58.78 1m12 h LYS 26 Cb 0.11 -0.08 0.01 0.00 0.08 0.00 0.00 32.23 32.35 1m12 h LYS 26 CO -0.15 0.24 -1.02 0.93 -0.57 0.00 0.00 179.45 178.88 1m12 h GLU 27 N 0.37 0.43 -0.70 3.15 4.39 -1.62 -2.34 114.58 118.26 1m12 h GLU 27 Ca 0.33 -0.50 -0.06 0.00 0.34 0.00 0.00 59.36 59.47 1m12 h GLU 27 Cb 0.78 0.15 -0.03 0.00 -0.10 0.00 0.00 28.75 29.56 1m12 h GLU 27 CO -0.09 1.16 0.18 0.82 -1.16 0.00 0.00 179.01 179.92 1m12 h ILE 28 N 0.22 1.26 0.00 3.13 2.04 -0.95 -0.39 117.51 122.83 1m12 h ILE 28 Ca -0.10 -0.94 -0.11 0.00 1.00 0.00 0.00 64.86 64.71 1m12 h ILE 28 Cb 1.68 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1m12 h ILE 28 CO 0.18 0.36 -0.50 -0.07 0.00 0.00 0.00 178.15 178.12 1m12 h LEU 29 N 1.05 0.00 -0.22 1.44 3.38 -1.48 -2.49 115.31 116.99 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 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 1m12 h LEU 29 CO -0.00 0.50 -0.15 -0.78 0.09 0.00 0.00 178.44 178.10 1m12 h ASP 30 N 0.00 0.51 0.68 -0.43 3.58 -0.77 -3.04 116.42 116.95 1m12 h ASP 30 Ca -0.01 -0.44 -0.04 0.00 0.42 0.00 0.00 57.03 56.96 1m12 h ASP 30 Cb 1.03 -0.14 -0.01 0.00 1.72 0.00 0.00 39.33 41.93 1m12 h ASP 30 CO 0.07 0.84 -0.21 0.00 -2.88 0.00 0.00 179.24 177.06 1m12 h ALA 31 N 0.68 1.12 0.00 -0.78 0.00 -0.99 -2.91 119.26 116.39 1m12 h ALA 31 Ca 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1m12 h ALA 31 Cb 0.67 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 1m12 h ALA 31 CO 0.04 0.26 0.17 1.19 0.00 0.00 0.00 179.25 180.91 1m12 n PHE 32 N -3.52 0.00 0.50 0.00 3.01 -0.95 -0.03 117.46 116.47 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 0.36 -0.24 0.17 0.00 -0.01 0.00 0.00 39.48 39.77 1m12 n PHE 32 CO 0.00 0.00 0.00 0.38 1.01 0.00 0.00 176.76 178.15 1m12 h ASP 33 N 0.00 0.00 0.00 4.37 2.03 -1.70 -3.36 116.42 117.76 1m12 h ASP 33 Ca 0.00 -0.15 0.00 0.00 -0.73 0.00 0.00 57.03 56.15 1m12 h ASP 33 Cb 0.34 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.84 1m12 h ASP 33 CO 0.00 0.08 -0.06 2.29 -1.03 0.00 0.00 179.24 180.52 1m12 n LYS 34 N -2.26 1.12 0.00 4.15 2.85 0.96 -4.82 118.16 120.17 1m12 n LYS 34 Ca 0.03 -1.06 -0.19 0.00 -1.05 0.00 0.00 58.31 56.04 1m12 n LYS 34 Cb 0.46 -0.75 -0.14 0.00 -0.65 0.00 0.00 35.03 33.95 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 0.20 0.00 -1.58 4.05 -1.51 -3.04 114.93 113.04 1m12 h MET 35 Ca 0.00 -0.34 0.00 0.00 -0.28 0.00 0.00 59.70 59.08 1m12 h MET 35 Cb 0.88 0.13 0.00 0.00 -0.80 0.00 0.00 31.60 31.80 1m12 h MET 35 CO 0.00 1.16 0.00 0.00 0.23 0.00 0.00 176.91 178.30 1m12 n SER 37 N -1.23 0.01 -1.73 0.00 2.88 -1.15 -3.34 113.62 109.06 1m12 n SER 37 Ca 0.02 -0.42 0.07 0.00 -1.33 0.00 0.00 58.87 57.21 1m12 n SER 37 Cb 0.03 -0.19 0.36 0.00 -0.75 0.00 0.00 64.21 63.66 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 -1.19 4.39 -4.57 -1.46 5.02 -0.17 -4.90 118.16 115.28 1m12 n LYS 38 Ca 0.17 -2.83 -0.24 0.00 -2.02 0.00 0.00 58.31 53.40 1m12 n LYS 38 Cb 0.20 -2.15 -0.14 0.00 -0.02 0.00 0.00 35.03 32.93 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 -2.38 2.15 0.92 -0.35 1.43 -1.21 -5.12 118.68 114.12 1m12 s LEU 39 Ca 0.49 -0.47 -0.16 0.00 -1.03 0.00 0.00 54.13 52.96 1m12 s LEU 39 Cb 0.37 -0.84 -0.08 0.00 0.03 0.00 0.00 46.19 45.67 1m12 s LEU 39 CO 0.16 0.13 -0.23 -2.65 0.23 0.00 0.00 176.35 173.98 1m12 n PRO 40 N 1.96 -0.07 0.31 1.29 -0.02 -1.26 -4.75 135.00 132.46 1m12 n PRO 40 Ca -0.17 -0.00 0.20 0.00 -2.02 0.00 0.00 63.50 61.51 1m12 n PRO 40 Cb 0.54 -1.36 1.02 0.00 -0.02 0.00 0.00 33.50 33.67 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 3.11 -1.97 -2.79 116.57 113.34 1m12 h LYS 41 Ca -0.44 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.40 1m12 h LYS 41 Cb 1.31 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.54 1m12 h LYS 41 CO 0.30 0.00 0.00 0.43 -2.81 0.00 0.00 179.45 177.37 1m12 n SER 42 N -3.01 0.39 -0.23 4.20 7.64 -1.26 -2.48 113.62 118.86 1m12 n SER 42 Ca -0.02 0.59 0.03 0.00 1.01 0.00 0.00 58.87 60.49 1m12 n SER 42 Cb 0.14 -0.68 0.02 0.00 -1.01 0.00 0.00 64.21 62.68 1m12 n SER 42 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1m12 n LEU 43 N -1.92 1.41 0.00 -3.43 4.77 -1.05 -4.81 117.00 111.96 1m12 n LEU 43 Ca 0.03 -0.95 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 1m12 n LEU 43 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1m12 n LEU 43 CO 0.17 0.29 0.37 -0.24 -1.33 0.00 0.00 177.39 176.65 1m12 n SER 44 N 0.21 0.00 -0.07 -1.43 2.88 -1.04 -2.83 113.62 111.35 1m12 n SER 44 Ca 0.03 0.73 -0.07 0.00 -1.33 0.00 0.00 58.87 58.24 1m12 n SER 44 Cb 0.15 -0.33 -0.01 0.00 -0.75 0.00 0.00 64.21 63.28 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 -0.14 -0.21 -1.46 4.39 -1.87 -1.66 114.58 113.62 1m12 h GLU 45 Ca 0.00 0.01 0.06 0.00 0.34 0.00 0.00 59.36 59.77 1m12 h GLU 45 Cb 0.00 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 1m12 h GLU 45 CO 0.00 -0.09 0.19 1.05 -1.16 0.00 0.00 179.01 179.00 1m12 h GLU 46 N -0.15 0.00 -0.12 2.33 -0.00 -1.89 -0.16 114.58 114.59 1m12 h GLU 46 Ca 0.15 0.00 -0.12 0.00 -0.00 0.00 0.00 59.36 59.40 1m12 h GLU 46 Cb 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.13 1m12 h GLU 46 CO -0.38 0.00 -0.38 0.00 -0.00 0.00 0.00 179.01 178.26 1m12 h GLN 48 N 0.06 0.65 -0.38 0.00 -0.00 -0.77 0.20 115.11 114.87 1m12 h GLN 48 Ca -0.01 -0.04 -0.09 0.00 -0.00 0.00 0.00 58.65 58.51 1m12 h GLN 48 Cb 1.00 -0.15 -0.01 0.00 0.00 0.00 0.00 27.48 28.32 1m12 h GLN 48 CO 0.08 0.43 -0.13 0.93 0.00 0.00 0.00 178.83 180.14 1m12 h GLU 49 N 0.67 0.76 -0.04 1.69 3.07 -1.37 0.48 114.58 119.83 1m12 h GLU 49 Ca 0.35 -0.31 -0.01 0.00 -0.50 0.00 0.00 59.36 58.89 1m12 h GLU 49 Cb 0.32 -0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 28.20 1m12 h GLU 49 CO -0.24 0.91 -0.02 0.28 -1.40 0.00 0.00 179.01 178.54 1m12 h VAL 50 N 0.56 1.34 0.22 3.13 2.07 -0.78 0.07 116.25 122.86 1m12 h VAL 50 Ca 0.09 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 1m12 h VAL 50 Cb 0.66 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1m12 h VAL 50 CO 0.04 0.29 -0.10 0.58 0.02 0.00 0.00 177.57 178.40 1m12 h VAL 51 N -0.32 0.79 -0.60 2.57 2.07 -0.64 0.84 116.25 120.96 1m12 h VAL 51 Ca 0.01 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 1m12 h VAL 51 Cb 0.47 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 1m12 h VAL 51 CO 0.01 0.01 0.22 -0.78 0.02 0.00 0.00 177.57 177.04 1m12 h ASP 52 N -0.31 0.85 0.17 0.57 1.82 -0.93 0.20 116.42 118.79 1m12 h ASP 52 Ca -0.03 -0.19 -0.32 0.00 -0.39 0.00 0.00 57.03 56.10 1m12 h ASP 52 Cb 0.24 -0.22 0.01 0.00 0.68 0.00 0.00 39.33 40.03 1m12 h ASP 52 CO 0.05 0.81 -1.59 0.74 -1.61 0.00 0.00 179.24 177.63 1m12 h THR 53 N 0.85 1.01 -0.50 2.25 2.02 -0.91 -3.38 112.91 114.24 1m12 h THR 53 Ca 0.20 -2.48 -0.28 0.00 0.77 0.00 0.00 66.41 64.61 1m12 h THR 53 Cb 0.24 2.78 -0.17 0.00 -1.74 0.00 0.00 68.15 69.26 1m12 h THR 53 CO -0.01 0.80 0.01 -1.22 0.37 0.00 0.00 175.52 175.47 1m12 n TYR 54 N -3.73 1.60 -0.06 3.16 4.01 0.29 -4.74 117.16 117.69 1m12 n TYR 54 Ca -0.24 -1.78 -0.08 0.00 -0.16 0.00 0.00 57.90 55.63 1m12 n TYR 54 Cb 1.01 -0.60 -0.08 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 1.15 0.00 1.99 2.72 0.00 -0.59 -2.88 103.07 105.45 1m12 h GLY 55 Ca 0.31 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.55 1m12 h GLY 55 CO 0.58 0.00 -0.44 1.76 0.00 0.00 0.00 176.54 178.44 1m12 h SER 56 N -1.00 0.02 -0.01 0.19 0.02 -1.85 -2.92 113.55 108.00 1m12 h SER 56 Ca -0.00 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.89 1m12 h SER 56 Cb 0.60 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.14 1m12 h SER 56 CO -0.00 0.46 -0.17 0.77 -1.14 0.00 0.00 176.83 176.74 1m12 h SER 57 N 0.01 0.17 -0.46 3.07 4.64 -1.87 -1.57 113.55 117.54 1m12 h SER 57 Ca -0.00 -0.74 0.08 0.00 -0.47 0.00 0.00 61.79 60.65 1m12 h SER 57 Cb 0.78 -0.05 -0.07 0.00 -0.31 0.00 0.00 62.40 62.75 1m12 h SER 57 CO 0.06 0.89 0.05 0.40 -0.87 0.00 0.00 176.83 177.36 1m12 h ILE 58 N -0.53 0.71 0.00 0.95 2.04 -1.55 0.28 117.51 119.41 1m12 h ILE 58 Ca -0.02 -0.06 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1m12 h ILE 58 Cb 0.91 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1m12 h ILE 58 CO 0.03 0.03 -0.02 -0.07 0.00 0.00 0.00 178.15 178.13 1m12 h LEU 59 N 0.17 0.00 0.12 1.44 -0.00 -1.52 -2.25 115.31 113.27 1m12 h LEU 59 Ca 0.23 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.81 1m12 h LEU 59 Cb 0.31 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 40.97 1m12 h LEU 59 CO -0.33 0.02 -1.42 0.28 -0.00 0.00 0.00 178.44 176.99 1m12 h SER 60 N 0.00 0.39 -0.09 -0.43 0.02 0.58 -3.31 113.55 110.70 1m12 h SER 60 Ca -0.00 -0.49 -0.09 0.00 -0.84 0.00 0.00 61.79 60.37 1m12 h SER 60 Cb 0.05 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.46 1m12 h SER 60 CO 0.00 1.40 -0.29 0.40 -1.14 0.00 0.00 176.83 177.21 1m12 h ILE 61 N 0.07 1.40 -0.85 3.27 2.04 -0.94 -3.18 117.51 119.32 1m12 h ILE 61 Ca -0.20 -1.63 0.10 0.00 1.00 0.00 0.00 64.86 64.13 1m12 h ILE 61 Cb 2.00 2.20 -0.06 0.00 -0.74 0.00 0.00 36.82 40.22 1m12 h ILE 61 CO 0.18 0.47 0.55 -0.07 0.00 0.00 0.00 178.15 179.28 1m12 h LEU 62 N -0.10 0.72 -0.57 1.44 3.38 -1.57 0.35 115.31 118.96 1m12 h LEU 62 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1m12 h LEU 62 Cb 0.91 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.53 1m12 h LEU 62 CO 0.06 0.42 0.00 0.18 0.09 0.00 0.00 178.44 179.19 1m12 n LEU 63 N -4.52 0.73 -1.65 1.67 4.77 -1.22 -2.87 117.00 113.91 1m12 n LEU 63 Ca 0.15 0.65 -0.10 0.00 -0.03 0.00 0.00 56.01 56.68 1m12 n LEU 63 Cb 0.34 -0.52 0.04 0.00 -2.33 0.00 0.00 43.42 40.94 1m12 n LEU 63 CO 0.31 -0.49 1.02 -0.62 -1.33 0.00 0.00 177.39 176.29 1m12 n GLU 64 N -2.28 1.51 -2.88 3.23 -0.58 0.12 -4.81 120.64 114.96 1m12 n GLU 64 Ca 0.03 -1.05 -0.10 0.00 -0.42 0.00 0.00 57.16 55.61 1m12 n GLU 64 Cb 0.28 -1.41 -0.01 0.00 -0.57 0.00 0.00 31.44 29.72 1m12 n GLU 64 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1m12 n GLU 65 N 0.45 -2.59 -3.48 3.49 0.28 -1.14 -4.91 120.64 112.75 1m12 n GLU 65 Ca 0.20 0.16 -0.35 0.00 -0.16 0.00 0.00 57.16 57.01 1m12 n GLU 65 Cb 0.66 -4.70 -0.06 0.00 1.43 0.00 0.00 31.44 28.77 1m12 n GLU 65 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1m12 s VAL 66 N -2.37 4.99 0.69 3.84 1.01 -1.25 -5.04 120.40 122.27 1m12 s VAL 66 Ca 0.16 0.65 -0.16 0.00 0.00 0.00 0.00 61.98 62.63 1m12 s VAL 66 Cb -0.09 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1m12 s VAL 66 CO 0.20 0.30 0.79 -0.24 0.00 0.00 0.00 175.10 176.15 1m12 n SER 67 N 0.95 -0.13 -0.17 3.32 2.88 -1.26 -4.78 113.62 114.43 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 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.66 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 -0.14 0.95 0.00 -1.46 0.13 -1.97 -3.07 132.00 126.44 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 1.35 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.42 1m12 h PRO 68 CO 0.46 1.02 0.00 1.05 -0.23 0.00 0.00 178.00 180.30 1m12 h GLU 69 N 0.81 0.00 0.00 0.86 4.11 -2.00 -2.69 114.58 115.67 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 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 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 0.34 3.06 3.38 -1.90 -3.18 115.31 117.02 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 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1m12 h LEU 70 CO 0.00 0.00 -0.17 0.58 0.09 0.00 0.00 178.44 178.94 1m12 h VAL 71 N 0.00 0.66 0.00 1.22 2.07 -1.58 0.28 116.25 118.91 1m12 h VAL 71 Ca 0.00 -0.42 -0.05 0.00 0.82 0.00 0.00 66.70 67.05 1m12 h VAL 71 Cb 0.46 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1m12 h VAL 71 CO 0.00 0.08 -0.24 0.00 0.02 0.00 0.00 177.57 177.43 1m12 h SER 73 N 0.00 0.82 -0.18 0.00 0.87 -1.56 -2.64 113.55 110.86 1m12 h SER 73 Ca -0.00 -0.70 -0.19 0.00 -1.23 0.00 0.00 61.79 59.67 1m12 h SER 73 Cb 0.49 -0.25 0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1m12 h SER 73 CO 0.03 1.51 -0.62 0.24 -0.53 0.00 0.00 176.83 177.45 1m12 h MET 74 N 0.31 0.74 -0.32 2.24 2.86 -0.75 -2.97 114.93 117.04 1m12 h MET 74 Ca -0.14 -0.55 0.00 0.00 -2.06 0.00 0.00 59.70 56.94 1m12 h MET 74 Cb 1.77 0.10 0.00 0.00 0.06 0.00 0.00 31.60 33.53 1m12 h MET 74 CO 0.21 1.17 0.00 1.28 1.06 0.00 0.00 176.91 180.63 1m12 n LEU 75 N -4.06 0.32 -1.74 1.22 4.77 -0.83 -4.77 117.00 111.92 1m12 n LEU 75 Ca -0.07 -0.16 -0.11 0.00 -0.03 0.00 0.00 56.01 55.64 1m12 n LEU 75 Cb 0.66 -0.16 -0.03 0.00 -2.33 0.00 0.00 43.42 41.56 1m12 n LEU 75 CO 0.50 0.08 -0.12 1.41 -1.33 0.00 0.00 177.39 177.93 1m12 n HIS 76 N -0.14 -0.85 0.82 -1.77 8.25 -1.12 -4.76 115.22 115.65 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 0.08 -2.41 0.36 0.00 1.12 0.00 0.00 29.99 29.14 1m12 n HIS 76 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1m12 n LEU 77 N -2.12 0.48 -4.33 2.41 4.77 -1.02 -4.86 117.00 112.32 1m12 n LEU 77 Ca -0.12 0.30 -0.18 0.00 -0.03 0.00 0.00 56.01 55.99 1m12 n LEU 77 Cb 0.45 -0.31 -0.10 0.00 -2.33 0.00 0.00 43.42 41.13 1m12 n LEU 77 CO 0.16 -0.01 -0.39 0.00 -1.33 0.00 0.00 177.39 175.82 1m12 n SER 79 N -0.39 0.00 -0.00 0.00 7.64 -1.26 -4.85 113.62 114.75 1m12 n SER 79 Ca -0.07 0.49 0.00 0.00 1.01 0.00 0.00 58.87 60.30 1m12 n SER 79 Cb 0.62 -0.49 0.00 0.00 -1.01 0.00 0.00 64.21 63.33 1m12 n SER 79 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1m12 n GLY 80 N 0.02 1.42 0.08 0.23 0.00 -1.26 -4.69 105.19 100.99 1m12 n GLY 80 Ca 0.04 -1.27 0.02 0.00 0.00 0.00 0.00 46.02 44.81 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 0.09 -4.79 0.99 4.77 -1.26 -4.47 117.00 112.34 1m12 n LEU 81 Ca 0.00 0.28 -0.36 0.00 -0.03 0.00 0.00 56.01 55.90 1m12 n LEU 81 Cb 0.00 -0.22 -0.06 0.00 -2.33 0.00 0.00 43.42 40.81 1m12 n LEU 81 CO 0.00 -0.32 0.67 0.68 -1.33 0.00 0.00 177.39 177.09 1m12 s VAL 82 N -2.73 4.13 -1.78 4.08 -7.23 -1.26 -4.88 120.40 110.73 1m12 s VAL 82 Ca -0.00 1.69 0.04 0.00 -1.81 0.00 0.00 61.98 61.90 1m12 s VAL 82 Cb 0.01 -3.90 0.10 0.00 0.56 0.00 0.00 36.38 33.15 1m12 s VAL 82 CO 0.03 0.06 0.81 -0.81 -0.31 0.00 0.00 175.10 174.89 1m12 n PRO 83 N 0.31 0.10 0.00 4.82 -0.04 -1.26 -5.03 135.00 133.90 1m12 n PRO 83 Ca 0.03 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 1m12 n PRO 83 Cb 0.50 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 1m12 n PRO 83 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33