#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 5.50 0.17 -3.46 2.15 -1.26 -4.83 116.67 114.95 1m12 s ASP 2 Ca 0.00 0.64 0.14 0.00 0.43 0.00 0.00 52.55 53.76 1m12 s ASP 2 Cb 0.00 -2.53 0.69 0.00 -0.30 0.00 0.00 42.92 40.78 1m12 s ASP 2 CO 0.00 -2.14 1.42 1.33 -0.17 0.00 0.00 175.17 175.61 1m12 n VAL 3 N 7.27 1.35 -0.02 1.11 0.24 -1.26 -2.81 118.33 124.21 1m12 n VAL 3 Ca 0.21 0.55 -0.16 0.00 -2.04 0.00 0.00 64.34 62.90 1m12 n VAL 3 Cb 0.50 -1.52 -0.10 0.00 -1.47 0.00 0.00 33.84 31.26 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 0.54 -0.88 6.34 0.05 -1.92 -2.95 116.97 118.16 1m12 h TYR 4 Ca 0.00 -0.26 0.03 0.00 0.05 0.00 0.00 58.73 58.55 1m12 h TYR 4 Cb 0.07 -0.07 -0.05 0.00 1.01 0.00 0.00 36.73 37.68 1m12 h TYR 4 CO 0.00 1.04 0.57 0.00 -1.05 0.00 0.00 178.16 178.72 1m12 h GLU 6 N 1.11 0.77 -0.19 0.00 4.22 -1.63 -2.43 114.58 116.42 1m12 h GLU 6 Ca 0.35 -0.05 -0.19 0.00 0.08 0.00 0.00 59.36 59.55 1m12 h GLU 6 Cb -0.02 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1m12 h GLU 6 CO -0.11 0.51 -0.64 0.28 -2.18 0.00 0.00 179.01 176.88 1m12 h VAL 7 N 0.78 1.31 -0.21 0.32 2.07 -1.26 -2.43 116.25 116.84 1m12 h VAL 7 Ca 0.21 -1.88 0.01 0.00 0.82 0.00 0.00 66.70 65.86 1m12 h VAL 7 Cb -0.08 1.84 -0.02 0.00 -1.52 0.00 0.00 31.29 31.52 1m12 h VAL 7 CO -0.04 0.59 0.11 0.00 0.02 0.00 0.00 177.57 178.25 1m12 h GLU 9 N 0.23 0.00 -0.15 0.00 4.39 -1.46 -1.50 114.58 116.09 1m12 h GLU 9 Ca 0.08 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.75 1m12 h GLU 9 Cb 0.01 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1m12 h GLU 9 CO -0.05 0.31 -0.04 0.35 -1.16 0.00 0.00 179.01 178.42 1m12 h PHE 10 N 0.00 0.33 -0.47 4.33 3.57 -0.76 -0.71 116.94 123.23 1m12 h PHE 10 Ca -0.00 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 1m12 h PHE 10 Cb 0.57 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 1m12 h PHE 10 CO 0.00 0.58 0.20 -0.07 -2.23 0.00 0.00 178.31 176.79 1m12 h LEU 11 N -0.01 0.64 -0.20 0.59 3.38 -0.98 -1.47 115.31 117.26 1m12 h LEU 11 Ca 0.04 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1m12 h LEU 11 Cb 0.48 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1m12 h LEU 11 CO 0.02 0.62 0.09 0.58 0.09 0.00 0.00 178.44 179.84 1m12 h VAL 12 N 0.62 0.98 -0.87 1.22 2.07 -1.20 0.29 116.25 119.37 1m12 h VAL 12 Ca 0.16 -0.07 0.04 0.00 0.82 0.00 0.00 66.70 67.65 1m12 h VAL 12 Cb 0.17 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.66 1m12 h VAL 12 CO -0.02 0.04 0.56 0.50 0.02 0.00 0.00 177.57 178.67 1m12 h LYS 13 N 0.20 1.04 -0.21 1.57 3.64 -0.88 -1.30 116.57 120.62 1m12 h LYS 13 Ca 0.08 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.23 1m12 h LYS 13 Cb 0.03 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.61 1m12 h LYS 13 CO -0.06 0.69 -0.57 0.93 -2.27 0.00 0.00 179.45 178.16 1m12 h GLU 14 N 1.07 0.65 -0.38 1.90 5.08 -0.68 -3.07 114.58 119.15 1m12 h GLU 14 Ca 0.35 -0.42 -0.08 0.00 -1.00 0.00 0.00 59.36 58.20 1m12 h GLU 14 Cb 0.03 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1m12 h GLU 14 CO -0.13 1.04 -0.09 0.28 -1.00 0.00 0.00 179.01 179.11 1m12 h VAL 15 N 0.49 1.28 -0.65 3.13 2.07 0.19 -2.53 116.25 120.22 1m12 h VAL 15 Ca 0.00 -1.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.30 1m12 h VAL 15 Cb 1.14 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.13 1m12 h VAL 15 CO 0.11 0.39 0.22 0.71 0.02 0.00 0.00 177.57 179.02 1m12 h THR 16 N 0.54 1.24 -0.26 2.57 1.35 -1.27 0.52 112.91 117.59 1m12 h THR 16 Ca 0.10 -0.80 -0.03 0.00 -0.55 0.00 0.00 66.41 65.12 1m12 h THR 16 Cb 0.61 0.50 -0.01 0.00 -1.73 0.00 0.00 68.15 67.52 1m12 h THR 16 CO 0.04 0.31 0.02 0.50 -0.25 0.00 0.00 175.52 176.15 1m12 h LYS 17 N 0.96 0.39 -0.20 4.72 3.64 -1.45 1.00 116.57 125.62 1m12 h LYS 17 Ca 0.22 -0.06 -0.18 0.00 -1.27 0.00 0.00 60.65 59.36 1m12 h LYS 17 Cb 0.25 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1m12 h LYS 17 CO -0.01 0.40 -0.59 -0.07 -2.27 0.00 0.00 179.45 176.91 1m12 h LEU 18 N 0.38 0.73 -0.72 5.20 3.38 -0.64 0.16 115.31 123.80 1m12 h LEU 18 Ca 0.09 -0.41 -0.14 0.00 0.09 0.00 0.00 57.88 57.51 1m12 h LEU 18 Cb 0.22 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1m12 h LEU 18 CO 0.00 1.16 -0.54 0.40 0.09 0.00 0.00 178.44 179.55 1m12 h ILE 19 N 0.49 1.36 0.00 1.22 2.04 0.14 -2.64 117.51 120.12 1m12 h ILE 19 Ca -0.00 -1.84 -0.06 0.00 1.00 0.00 0.00 64.86 63.96 1m12 h ILE 19 Cb 1.16 1.89 -0.01 0.00 -0.74 0.00 0.00 36.82 39.13 1m12 h ILE 19 CO 0.12 0.55 -0.28 -0.78 0.00 0.00 0.00 178.15 177.75 1m12 h ASP 20 N 0.21 0.00 -0.06 1.72 3.58 0.13 -3.01 116.42 119.00 1m12 h ASP 20 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1m12 h ASP 20 Cb 1.02 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.07 1m12 h ASP 20 CO 0.09 0.28 0.00 -3.20 -2.88 0.00 0.00 179.24 173.53 1m12 n ASN 21 N -3.26 1.31 -0.64 2.28 5.15 0.51 -4.94 115.26 115.67 1m12 n ASN 21 Ca 0.02 -1.50 -0.01 0.00 -0.60 0.00 0.00 54.58 52.49 1m12 n ASN 21 Cb 0.56 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 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 0.04 -2.10 -4.91 1.20 5.03 -1.14 -5.07 115.26 108.32 1m12 n ASN 22 Ca 0.18 -0.01 -0.30 0.00 0.87 0.00 0.00 54.58 55.32 1m12 n ASN 22 Cb 0.31 -0.61 -0.04 0.00 -1.02 0.00 0.00 39.78 38.41 1m12 n ASN 22 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1m12 s LYS 23 N -4.90 3.57 0.73 3.52 1.02 -1.09 -5.07 119.74 117.52 1m12 s LYS 23 Ca 0.01 -0.20 -0.11 0.00 0.02 0.00 0.00 55.97 55.69 1m12 s LYS 23 Cb -0.01 -2.87 0.03 0.00 -0.52 0.00 0.00 37.83 34.46 1m12 s LYS 23 CO 0.02 0.46 1.10 0.95 -0.92 0.00 0.00 175.35 176.97 1m12 s THR 24 N -1.70 3.31 0.19 2.17 -4.23 -1.26 -4.84 115.64 109.28 1m12 s THR 24 Ca 0.40 0.42 -0.11 0.00 -1.18 0.00 0.00 61.69 61.22 1m12 s THR 24 Cb -0.12 -3.38 0.11 0.00 1.34 0.00 0.00 72.50 70.45 1m12 s THR 24 CO 0.26 -0.56 1.79 -0.08 -0.54 0.00 0.00 174.62 175.50 1m12 h GLU 25 N -0.76 0.54 -0.60 3.99 4.81 -2.00 -0.89 114.58 119.68 1m12 h GLU 25 Ca -0.45 -0.03 0.12 0.00 -0.13 0.00 0.00 59.36 58.86 1m12 h GLU 25 Cb 1.26 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.48 1m12 h GLU 25 CO 0.63 0.36 0.41 -0.22 -0.73 0.00 0.00 179.01 179.46 1m12 h LYS 26 N 0.56 0.29 0.01 1.92 3.64 -2.00 -1.54 116.57 119.45 1m12 h LYS 26 Ca 0.26 -0.02 -0.23 0.00 -1.27 0.00 0.00 60.65 59.39 1m12 h LYS 26 Cb 0.18 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 1m12 h LYS 26 CO -0.18 0.19 -0.98 0.93 -2.27 0.00 0.00 179.45 177.14 1m12 h GLU 27 N 0.29 0.43 -0.65 1.90 5.08 -1.53 -2.40 114.58 117.71 1m12 h GLU 27 Ca 0.28 -0.48 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 1m12 h GLU 27 Cb 0.71 0.14 -0.03 0.00 0.50 0.00 0.00 28.75 30.08 1m12 h GLU 27 CO -0.07 1.14 0.10 0.82 -1.00 0.00 0.00 179.01 180.00 1m12 h ILE 28 N 0.23 1.26 0.00 3.13 2.04 -0.90 -0.66 117.51 122.61 1m12 h ILE 28 Ca -0.09 -1.02 -0.11 0.00 1.00 0.00 0.00 64.86 64.64 1m12 h ILE 28 Cb 1.62 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 38.34 1m12 h ILE 28 CO 0.17 0.38 -0.51 -0.07 0.00 0.00 0.00 178.15 178.12 1m12 h LEU 29 N 0.99 0.00 -0.22 1.44 3.38 -1.49 -2.57 115.31 116.85 1m12 h LEU 29 Ca 0.20 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.08 1m12 h LEU 29 Cb 0.43 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 1m12 h LEU 29 CO 0.01 0.51 -0.21 0.44 0.09 0.00 0.00 178.44 179.28 1m12 h ASP 30 N 0.00 0.56 0.67 -0.43 3.32 -0.85 -3.05 116.42 116.64 1m12 h ASP 30 Ca -0.01 -0.47 -0.05 0.00 0.02 0.00 0.00 57.03 56.53 1m12 h ASP 30 Cb 1.07 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 1m12 h ASP 30 CO 0.07 0.92 -0.22 0.00 -1.72 0.00 0.00 179.24 178.28 1m12 h ALA 31 N 0.66 1.13 0.00 3.45 0.00 -1.05 -2.78 119.26 120.67 1m12 h ALA 31 Ca 0.04 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1m12 h ALA 31 Cb 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1m12 h ALA 31 CO 0.05 0.28 0.18 1.19 0.00 0.00 0.00 179.25 180.95 1m12 n PHE 32 N -3.55 0.00 0.46 0.00 3.01 -0.98 0.10 117.46 116.50 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 0.37 -0.27 0.18 0.00 -0.01 0.00 0.00 39.48 39.75 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 -1.67 -3.35 116.42 117.58 1m12 h ASP 33 Ca 0.00 -0.11 0.00 0.00 -0.39 0.00 0.00 57.03 56.53 1m12 h ASP 33 Cb 0.35 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.36 1m12 h ASP 33 CO 0.00 0.06 -0.06 2.29 -1.61 0.00 0.00 179.24 179.91 1m12 n LYS 34 N -2.35 1.05 0.02 0.28 2.85 0.11 -4.82 118.16 115.30 1m12 n LYS 34 Ca 0.03 -1.05 -0.20 0.00 -1.05 0.00 0.00 58.31 56.04 1m12 n LYS 34 Cb 0.47 -0.74 -0.14 0.00 -0.65 0.00 0.00 35.03 33.97 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 0.23 0.00 -1.58 4.05 -1.47 -3.01 114.93 113.14 1m12 h MET 35 Ca 0.00 -0.40 0.00 0.00 -0.28 0.00 0.00 59.70 59.02 1m12 h MET 35 Cb 0.89 0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.84 1m12 h MET 35 CO 0.00 1.19 0.00 0.00 0.23 0.00 0.00 176.91 178.33 1m12 n SER 37 N -1.23 0.15 -1.81 0.00 7.64 -1.14 -3.41 113.62 113.82 1m12 n SER 37 Ca 0.03 -0.77 0.08 0.00 1.01 0.00 0.00 58.87 59.22 1m12 n SER 37 Cb 0.04 -0.08 0.39 0.00 -1.01 0.00 0.00 64.21 63.55 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 -0.99 4.62 -4.54 1.43 5.02 -0.19 -4.92 118.16 118.59 1m12 n LYS 38 Ca 0.20 -3.11 -0.23 0.00 -2.02 0.00 0.00 58.31 53.16 1m12 n LYS 38 Cb 0.18 -2.18 -0.14 0.00 -0.02 0.00 0.00 35.03 32.87 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 -2.57 2.14 0.98 -0.35 1.43 -1.22 -5.12 118.68 113.97 1m12 s LEU 39 Ca 0.54 -0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 53.03 1m12 s LEU 39 Cb 0.40 -0.79 -0.09 0.00 0.03 0.00 0.00 46.19 45.74 1m12 s LEU 39 CO 0.18 0.11 -0.40 -2.65 0.23 0.00 0.00 176.35 173.82 1m12 n PRO 40 N 2.03 -0.10 0.25 1.29 -0.02 -1.26 -4.72 135.00 132.46 1m12 n PRO 40 Ca -0.17 -0.02 0.17 0.00 -2.02 0.00 0.00 63.50 61.46 1m12 n PRO 40 Cb 0.54 -1.29 0.82 0.00 -0.02 0.00 0.00 33.50 33.55 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 -1.19 0.00 0.00 -0.52 3.64 -1.98 -2.90 116.57 113.62 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 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1m12 h LYS 41 CO 0.27 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 178.11 1m12 h SER 42 N 0.00 0.00 -0.01 4.20 4.64 -2.02 -2.85 113.55 117.51 1m12 h SER 42 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1m12 h SER 42 Cb 0.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1m12 h SER 42 CO 0.00 0.00 -0.04 0.18 -0.87 0.00 0.00 176.83 176.10 1m12 n LEU 43 N -2.31 1.41 -0.05 5.97 4.77 -1.10 -4.78 117.00 120.92 1m12 n LEU 43 Ca 0.02 -0.93 -0.01 0.00 -0.03 0.00 0.00 56.01 55.06 1m12 n LEU 43 Cb 0.26 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.34 1m12 n LEU 43 CO 0.21 0.29 0.40 -0.24 -1.33 0.00 0.00 177.39 176.72 1m12 n SER 44 N 0.19 -0.12 -0.03 -1.43 2.88 -1.08 -2.89 113.62 111.13 1m12 n SER 44 Ca 0.04 0.89 -0.08 0.00 -1.33 0.00 0.00 58.87 58.39 1m12 n SER 44 Cb 0.17 -0.37 -0.02 0.00 -0.75 0.00 0.00 64.21 63.24 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 -0.17 -0.14 -1.46 4.39 -1.86 -1.99 114.58 113.35 1m12 h GLU 45 Ca 0.02 0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.77 1m12 h GLU 45 Cb 0.05 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1m12 h GLU 45 CO -0.11 -0.11 0.18 0.93 -1.16 0.00 0.00 179.01 178.74 1m12 h GLU 46 N -0.17 0.00 0.03 2.33 4.39 -1.88 0.38 114.58 119.65 1m12 h GLU 46 Ca 0.12 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 59.64 1m12 h GLU 46 Cb 0.36 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.02 1m12 h GLU 46 CO -0.31 0.00 -0.75 0.00 -1.16 0.00 0.00 179.01 176.79 1m12 h GLN 48 N -0.03 0.39 -0.40 0.00 4.15 -0.67 0.44 115.11 118.99 1m12 h GLN 48 Ca -0.10 -0.02 -0.11 0.00 0.77 0.00 0.00 58.65 59.19 1m12 h GLN 48 Cb 1.46 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 29.05 1m12 h GLN 48 CO 0.15 0.26 -0.16 0.93 -1.93 0.00 0.00 178.83 178.07 1m12 h GLU 49 N 0.40 0.82 -0.02 1.69 4.39 -1.43 0.21 114.58 120.64 1m12 h GLU 49 Ca 0.26 -0.35 -0.00 0.00 0.34 0.00 0.00 59.36 59.61 1m12 h GLU 49 Cb 0.28 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1m12 h GLU 49 CO -0.25 0.97 -0.00 0.28 -1.16 0.00 0.00 179.01 178.85 1m12 h VAL 50 N 0.63 1.27 0.19 3.13 2.07 -0.78 0.04 116.25 122.80 1m12 h VAL 50 Ca 0.09 -0.80 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1m12 h VAL 50 Cb 0.71 1.78 0.00 0.00 -1.52 0.00 0.00 31.29 32.26 1m12 h VAL 50 CO 0.05 0.21 -0.09 0.58 0.02 0.00 0.00 177.57 178.34 1m12 h VAL 51 N -0.29 0.86 -0.44 2.57 2.07 -0.12 0.60 116.25 121.50 1m12 h VAL 51 Ca 0.01 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 1m12 h VAL 51 Cb 0.34 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 1m12 h VAL 51 CO 0.00 0.05 0.13 0.44 0.02 0.00 0.00 177.57 178.21 1m12 h ASP 52 N -0.36 0.65 0.19 0.57 5.19 -0.61 0.20 116.42 122.26 1m12 h ASP 52 Ca -0.03 -0.21 -0.35 0.00 -0.62 0.00 0.00 57.03 55.82 1m12 h ASP 52 Cb 0.28 -0.17 0.01 0.00 0.18 0.00 0.00 39.33 39.63 1m12 h ASP 52 CO 0.04 0.69 -1.73 0.74 -3.12 0.00 0.00 179.24 175.87 1m12 h THR 53 N 0.58 0.95 -0.53 0.35 2.02 -1.00 -3.38 112.91 111.90 1m12 h THR 53 Ca 0.14 -2.51 -0.31 0.00 0.77 0.00 0.00 66.41 64.50 1m12 h THR 53 Cb 0.28 2.77 -0.19 0.00 -1.74 0.00 0.00 68.15 69.28 1m12 h THR 53 CO -0.00 0.85 0.01 -1.22 0.37 0.00 0.00 175.52 175.53 1m12 n TYR 54 N -3.62 1.71 -0.06 3.16 4.02 0.21 -4.74 117.16 117.84 1m12 n TYR 54 Ca -0.25 -1.84 -0.08 0.00 -0.01 0.00 0.00 57.90 55.72 1m12 n TYR 54 Cb 1.07 -0.62 -0.07 0.00 -0.02 0.00 0.00 39.34 39.69 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 1.22 0.00 2.00 2.72 0.00 -0.55 -2.88 103.07 105.58 1m12 h GLY 55 Ca 0.33 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.58 1m12 h GLY 55 CO 0.63 0.00 -0.38 1.76 0.00 0.00 0.00 176.54 178.55 1m12 h SER 56 N -1.00 0.00 -0.01 0.19 0.02 -1.85 -2.77 113.55 108.13 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 0.59 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.13 1m12 h SER 56 CO -0.01 0.38 -0.26 0.77 -1.14 0.00 0.00 176.83 176.57 1m12 h SER 57 N 0.00 0.24 0.28 3.07 4.64 -1.87 -0.90 113.55 119.01 1m12 h SER 57 Ca -0.00 -0.76 0.00 0.00 -0.47 0.00 0.00 61.79 60.56 1m12 h SER 57 Cb 0.69 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.68 1m12 h SER 57 CO 0.05 0.96 -0.29 0.40 -0.87 0.00 0.00 176.83 177.09 1m12 h ILE 58 N -0.46 0.40 -0.04 0.95 2.04 -1.52 -0.30 117.51 118.57 1m12 h ILE 58 Ca -0.03 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.84 1m12 h ILE 58 Cb 1.00 0.40 -0.00 0.00 -0.74 0.00 0.00 36.82 37.47 1m12 h ILE 58 CO 0.05 0.00 0.05 0.25 0.00 0.00 0.00 178.15 178.51 1m12 h LEU 59 N -0.60 0.00 0.14 1.44 5.85 -1.58 -1.82 115.31 118.75 1m12 h LEU 59 Ca -0.01 0.00 -0.29 0.00 0.84 0.00 0.00 57.88 58.42 1m12 h LEU 59 Cb 0.55 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.59 1m12 h LEU 59 CO -0.06 0.00 -1.37 0.28 -0.34 0.00 0.00 178.44 176.95 1m12 h SER 60 N 0.00 0.48 -0.09 1.25 0.02 0.36 -3.32 113.55 112.25 1m12 h SER 60 Ca 0.02 -0.55 -0.03 0.00 -0.84 0.00 0.00 61.79 60.39 1m12 h SER 60 Cb 0.13 -0.16 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 1m12 h SER 60 CO -0.00 1.44 -0.08 0.40 -1.14 0.00 0.00 176.83 177.45 1m12 h ILE 61 N 0.08 1.36 -0.69 3.27 2.04 -0.37 -3.09 117.51 120.12 1m12 h ILE 61 Ca -0.19 -1.21 0.20 0.00 1.00 0.00 0.00 64.86 64.66 1m12 h ILE 61 Cb 2.02 1.98 -0.03 0.00 -0.74 0.00 0.00 36.82 40.04 1m12 h ILE 61 CO 0.20 0.34 0.50 -0.07 0.00 0.00 0.00 178.15 179.12 1m12 h LEU 62 N -0.21 0.00 -0.18 1.44 3.38 -1.52 0.71 115.31 118.94 1m12 h LEU 62 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1m12 h LEU 62 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1m12 h LEU 62 CO 0.02 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.73 1m12 n LEU 63 N -4.31 0.81 -1.39 1.67 4.77 -1.17 -3.08 117.00 114.30 1m12 n LEU 63 Ca 0.13 0.60 -0.07 0.00 -0.03 0.00 0.00 56.01 56.64 1m12 n LEU 63 Cb 0.76 -0.38 0.05 0.00 -2.33 0.00 0.00 43.42 41.53 1m12 n LEU 63 CO 0.37 -0.28 0.76 -0.62 -1.33 0.00 0.00 177.39 176.29 1m12 n GLU 64 N -2.28 1.38 -2.61 3.23 1.02 0.25 -4.81 120.64 116.82 1m12 n GLU 64 Ca 0.05 -0.90 -0.11 0.00 -0.02 0.00 0.00 57.16 56.17 1m12 n GLU 64 Cb 0.39 -1.35 -0.00 0.00 -0.02 0.00 0.00 31.44 30.45 1m12 n GLU 64 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1m12 n GLU 65 N 0.05 -2.56 -3.39 3.49 1.02 -1.18 -4.93 120.64 113.14 1m12 n GLU 65 Ca 0.18 0.44 -0.35 0.00 -0.02 0.00 0.00 57.16 57.41 1m12 n GLU 65 Cb 0.84 -5.04 -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 -2.53 4.89 0.69 2.62 1.01 -1.25 -5.04 120.40 120.79 1m12 s VAL 66 Ca 0.07 0.79 -0.16 0.00 0.00 0.00 0.00 61.98 62.67 1m12 s VAL 66 Cb -0.04 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1m12 s VAL 66 CO 0.08 0.28 0.74 -0.24 0.00 0.00 0.00 175.10 175.96 1m12 n SER 67 N 0.90 -0.32 -0.16 3.32 2.88 -1.26 -4.79 113.62 114.18 1m12 n SER 67 Ca -0.06 0.66 -0.11 0.00 -1.33 0.00 0.00 58.87 58.03 1m12 n SER 67 Cb 0.52 -1.30 -0.00 0.00 -0.75 0.00 0.00 64.21 62.67 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 -0.18 0.90 0.00 -1.46 0.13 -1.97 -3.09 132.00 126.33 1m12 h PRO 68 Ca -0.47 -0.34 0.00 0.00 -0.87 0.00 0.00 66.00 64.32 1m12 h PRO 68 Cb 1.35 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1m12 h PRO 68 CO 0.46 0.99 0.00 -0.85 -0.23 0.00 0.00 178.00 178.37 1m12 n GLU 69 N -4.24 0.18 0.13 0.86 0.28 -1.26 -2.40 120.64 114.19 1m12 n GLU 69 Ca 0.00 0.23 0.13 0.00 -0.16 0.00 0.00 57.16 57.35 1m12 n GLU 69 Cb 0.38 -1.74 0.46 0.00 1.43 0.00 0.00 31.44 31.97 1m12 n GLU 69 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1m12 n LEU 70 N -2.06 0.76 0.23 -1.84 4.77 -1.17 -3.43 117.00 114.26 1m12 n LEU 70 Ca 0.05 0.64 -0.14 0.00 -0.03 0.00 0.00 56.01 56.52 1m12 n LEU 70 Cb 0.35 -0.47 -0.08 0.00 -2.33 0.00 0.00 43.42 40.89 1m12 n LEU 70 CO 0.26 -0.42 0.52 0.58 -1.33 0.00 0.00 177.39 177.00 1m12 h VAL 71 N 0.00 0.48 0.00 4.08 2.07 -1.58 0.13 116.25 121.43 1m12 h VAL 71 Ca 0.00 -0.44 -0.03 0.00 0.82 0.00 0.00 66.70 67.05 1m12 h VAL 71 Cb 0.52 0.66 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 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 0.86 -0.16 0.00 0.02 -1.55 -2.47 113.55 110.24 1m12 h SER 73 Ca -0.00 -0.78 -0.21 0.00 -0.84 0.00 0.00 61.79 59.96 1m12 h SER 73 Cb 0.34 -0.27 0.01 0.00 0.14 0.00 0.00 62.40 62.62 1m12 h SER 73 CO 0.02 1.59 -0.70 0.24 -1.14 0.00 0.00 176.83 176.84 1m12 h MET 74 N 0.28 0.76 -0.35 3.45 2.86 -0.47 -3.04 114.93 118.41 1m12 h MET 74 Ca -0.18 -0.60 0.00 0.00 -2.06 0.00 0.00 59.70 56.86 1m12 h MET 74 Cb 1.90 0.12 0.00 0.00 0.06 0.00 0.00 31.60 33.68 1m12 h MET 74 CO 0.23 1.21 0.00 1.28 1.06 0.00 0.00 176.91 180.70 1m12 n LEU 75 N -4.00 0.35 -1.26 1.22 4.77 -0.80 -4.76 117.00 112.52 1m12 n LEU 75 Ca -0.07 -0.18 -0.08 0.00 -0.03 0.00 0.00 56.01 55.65 1m12 n LEU 75 Cb 0.71 -0.18 -0.04 0.00 -2.33 0.00 0.00 43.42 41.58 1m12 n LEU 75 CO 0.51 0.09 -0.08 1.41 -1.33 0.00 0.00 177.39 177.99 1m12 n HIS 76 N -0.10 -0.61 0.69 -1.77 8.25 -1.15 -4.70 115.22 115.84 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 0.09 -2.00 0.40 0.00 1.12 0.00 0.00 29.99 29.60 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 -1.57 0.65 0.00 2.41 7.94 -1.13 -4.87 117.00 120.44 1m12 n LEU 77 Ca -0.08 0.49 0.00 0.00 -1.11 0.00 0.00 56.01 55.31 1m12 n LEU 77 Cb 0.28 -0.33 0.00 0.00 0.53 0.00 0.00 43.42 43.90 1m12 n LEU 77 CO 0.13 -0.12 0.00 0.00 -1.11 0.00 0.00 177.39 176.29 1m12 s SER 79 N 0.68 -0.21 0.00 0.00 0.15 -1.26 -4.91 113.70 108.15 1m12 s SER 79 Ca 0.00 -0.52 0.00 0.00 0.70 0.00 0.00 55.95 56.13 1m12 s SER 79 Cb 0.00 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 1m12 s SER 79 CO 0.00 -1.13 0.00 0.61 1.20 0.00 0.00 173.24 173.92 1m12 n GLY 80 N -0.47 0.10 3.44 9.45 0.00 -1.26 -4.96 105.19 111.49 1m12 n GLY 80 Ca -0.05 -1.48 -0.13 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.51 -4.21 -4.00 0.99 4.77 -1.26 -4.93 117.00 107.85 1m12 n LEU 81 Ca 0.00 -0.53 -0.32 0.00 -0.03 0.00 0.00 56.01 55.13 1m12 n LEU 81 Cb 0.00 -2.42 -0.12 0.00 -2.33 0.00 0.00 43.42 38.55 1m12 n LEU 81 CO 0.00 -0.34 -0.09 0.68 -1.33 0.00 0.00 177.39 176.30 1m12 s VAL 82 N -2.97 3.00 -1.02 4.08 -7.23 -1.26 -4.92 120.40 110.08 1m12 s VAL 82 Ca 0.01 -3.26 0.00 0.00 -1.81 0.00 0.00 61.98 56.92 1m12 s VAL 82 Cb -0.00 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 33.92 1m12 s VAL 82 CO 0.83 -0.84 0.31 -0.81 -0.31 0.00 0.00 175.10 174.28 1m12 n PRO 83 N 3.17 0.60 0.00 4.82 -0.04 -1.26 -5.21 135.00 137.08 1m12 n PRO 83 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1m12 n PRO 83 Cb 0.34 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 1m12 n PRO 83 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33