#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 4.55 0.19 -3.46 1.01 -1.26 -4.80 116.67 112.89 1m12 s ASP 2 Ca 0.00 0.87 0.25 0.00 0.71 0.00 0.00 52.55 54.38 1m12 s ASP 2 Cb 0.00 -2.51 0.90 0.00 1.01 0.00 0.00 42.92 42.32 1m12 s ASP 2 CO 0.00 -2.86 1.76 1.33 0.21 0.00 0.00 175.17 175.61 1m12 n VAL 3 N 7.91 0.61 -0.06 -1.27 0.24 -1.26 -3.78 118.33 120.72 1m12 n VAL 3 Ca 0.35 -0.07 -0.14 0.00 -2.04 0.00 0.00 64.34 62.43 1m12 n VAL 3 Cb 0.54 -0.76 -0.07 0.00 -1.47 0.00 0.00 33.84 32.08 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 0.69 -0.75 6.34 0.05 -1.91 -2.82 116.97 118.57 1m12 h TYR 4 Ca 0.00 -0.24 0.04 0.00 0.05 0.00 0.00 58.73 58.57 1m12 h TYR 4 Cb 0.57 -0.13 -0.05 0.00 1.01 0.00 0.00 36.73 38.13 1m12 h TYR 4 CO 0.00 0.97 0.46 0.00 -1.05 0.00 0.00 178.16 178.55 1m12 h GLU 6 N 0.89 0.81 -0.29 0.00 4.57 -1.69 -2.22 114.58 116.65 1m12 h GLU 6 Ca 0.31 -0.05 -0.16 0.00 -1.18 0.00 0.00 59.36 58.28 1m12 h GLU 6 Cb 0.06 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.47 1m12 h GLU 6 CO -0.13 0.54 -0.44 0.28 -1.18 0.00 0.00 179.01 178.08 1m12 h VAL 7 N 0.84 1.29 -0.32 0.32 2.07 -1.16 -2.15 116.25 117.14 1m12 h VAL 7 Ca 0.23 -1.63 0.02 0.00 0.82 0.00 0.00 66.70 66.14 1m12 h VAL 7 Cb -0.10 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1m12 h VAL 7 CO -0.05 0.53 0.15 0.00 0.02 0.00 0.00 177.57 178.22 1m12 h GLU 9 N 0.32 0.00 -0.11 0.00 5.08 -1.41 -1.61 114.58 116.85 1m12 h GLU 9 Ca 0.13 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 1m12 h GLU 9 Cb 0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1m12 h GLU 9 CO -0.09 0.28 -0.08 0.35 -1.00 0.00 0.00 179.01 178.47 1m12 h PHE 10 N 0.00 0.29 -0.43 4.33 3.57 -0.50 -0.08 116.94 124.12 1m12 h PHE 10 Ca -0.00 -0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.40 1m12 h PHE 10 Cb 0.58 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 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 -0.13 0.58 -0.20 0.59 3.38 -1.08 -0.14 115.31 118.32 1m12 h LEU 11 Ca 0.02 -0.15 0.02 0.00 0.09 0.00 0.00 57.88 57.86 1m12 h LEU 11 Cb 0.56 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1m12 h LEU 11 CO 0.02 0.57 0.08 0.58 0.09 0.00 0.00 178.44 179.78 1m12 h VAL 12 N 0.55 0.97 -0.60 1.22 2.07 -1.25 0.81 116.25 120.02 1m12 h VAL 12 Ca 0.15 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.63 1m12 h VAL 12 Cb 0.16 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1m12 h VAL 12 CO -0.02 0.03 0.37 0.50 0.02 0.00 0.00 177.57 178.48 1m12 h LYS 13 N 0.18 0.71 -0.25 1.57 3.64 -0.73 0.10 116.57 121.80 1m12 h LYS 13 Ca 0.08 -0.04 -0.16 0.00 -1.27 0.00 0.00 60.65 59.26 1m12 h LYS 13 Cb 0.04 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.69 1m12 h LYS 13 CO -0.07 0.47 -0.48 1.49 -2.27 0.00 0.00 179.45 178.59 1m12 h GLU 14 N 0.73 0.67 -0.43 1.90 4.22 -0.46 -2.93 114.58 118.28 1m12 h GLU 14 Ca 0.24 -0.39 -0.11 0.00 0.08 0.00 0.00 59.36 59.19 1m12 h GLU 14 Cb 0.01 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1m12 h GLU 14 CO -0.10 1.00 -0.16 0.28 -2.18 0.00 0.00 179.01 177.86 1m12 h VAL 15 N 0.53 1.28 -0.72 0.32 2.07 0.12 -2.61 116.25 117.24 1m12 h VAL 15 Ca 0.03 -1.29 -0.06 0.00 0.82 0.00 0.00 66.70 66.20 1m12 h VAL 15 Cb 1.03 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.97 1m12 h VAL 15 CO 0.10 0.44 0.21 0.71 0.02 0.00 0.00 177.57 179.04 1m12 h THR 16 N 0.69 1.26 -0.29 2.57 1.35 -0.95 0.41 112.91 117.95 1m12 h THR 16 Ca 0.10 -0.93 -0.01 0.00 -0.55 0.00 0.00 66.41 65.02 1m12 h THR 16 Cb 0.71 0.48 -0.01 0.00 -1.73 0.00 0.00 68.15 67.59 1m12 h THR 16 CO 0.05 0.36 0.14 0.50 -0.25 0.00 0.00 175.52 176.33 1m12 h LYS 17 N 1.09 0.39 -0.17 4.72 3.64 -1.44 1.24 116.57 126.04 1m12 h LYS 17 Ca 0.23 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.39 1m12 h LYS 17 Cb 0.33 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1m12 h LYS 17 CO -0.00 0.31 -0.65 -0.07 -2.27 0.00 0.00 179.45 176.77 1m12 h LEU 18 N 0.40 0.70 -0.64 5.20 3.38 -0.77 0.98 115.31 124.56 1m12 h LEU 18 Ca 0.10 -0.42 -0.15 0.00 0.09 0.00 0.00 57.88 57.51 1m12 h LEU 18 Cb 0.04 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.58 1m12 h LEU 18 CO -0.01 1.17 -0.62 0.40 0.09 0.00 0.00 178.44 179.46 1m12 h ILE 19 N 0.45 1.40 0.00 1.22 2.04 0.17 -2.74 117.51 120.03 1m12 h ILE 19 Ca -0.01 -2.02 -0.04 0.00 1.00 0.00 0.00 64.86 63.79 1m12 h ILE 19 Cb 1.23 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 39.33 1m12 h ILE 19 CO 0.12 0.59 -0.19 0.44 0.00 0.00 0.00 178.15 179.12 1m12 h ASP 20 N 0.16 0.00 -0.05 1.72 5.19 0.18 -3.01 116.42 120.61 1m12 h ASP 20 Ca -0.01 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1m12 h ASP 20 Cb 1.12 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.63 1m12 h ASP 20 CO 0.09 0.19 0.00 -3.20 -3.12 0.00 0.00 179.24 173.20 1m12 n ASN 21 N -3.20 1.41 -0.58 6.45 5.15 0.31 -4.94 115.26 119.87 1m12 n ASN 21 Ca 0.02 -1.52 0.00 0.00 -0.60 0.00 0.00 54.58 52.48 1m12 n ASN 21 Cb 0.53 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.75 1m12 n ASN 21 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1m12 n ASN 22 N 0.12 -1.88 -4.91 1.20 2.85 -1.14 -5.07 115.26 106.43 1m12 n ASN 22 Ca 0.18 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.34 1m12 n ASN 22 Cb 0.33 -0.47 -0.04 0.00 1.24 0.00 0.00 39.78 40.83 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 -4.46 3.54 0.98 1.20 1.02 -1.09 -5.07 119.74 115.86 1m12 s LYS 23 Ca 0.00 -0.23 -0.15 0.00 0.02 0.00 0.00 55.97 55.61 1m12 s LYS 23 Cb 0.00 -2.95 0.19 0.00 -0.52 0.00 0.00 37.83 34.55 1m12 s LYS 23 CO 0.00 0.54 1.21 0.95 -0.92 0.00 0.00 175.35 177.13 1m12 s THR 24 N -1.56 1.92 0.08 2.17 -4.23 -1.26 -4.84 115.64 107.92 1m12 s THR 24 Ca 0.37 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.70 1m12 s THR 24 Cb -0.13 -2.83 -0.08 0.00 1.34 0.00 0.00 72.50 70.80 1m12 s THR 24 CO 0.25 0.00 1.49 -0.08 -0.54 0.00 0.00 174.62 175.75 1m12 h GLU 25 N -1.73 0.47 -0.54 3.99 4.81 -2.00 -2.88 114.58 116.70 1m12 h GLU 25 Ca -0.46 -0.17 0.10 0.00 -0.13 0.00 0.00 59.36 58.71 1m12 h GLU 25 Cb 1.28 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 1m12 h GLU 25 CO 0.47 0.67 0.37 -0.22 -0.73 0.00 0.00 179.01 179.56 1m12 h LYS 26 N 0.23 0.27 -0.01 1.92 3.64 -2.00 -1.54 116.57 119.07 1m12 h LYS 26 Ca 0.07 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.21 1m12 h LYS 26 Cb 0.48 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 1m12 h LYS 26 CO 0.02 0.18 -0.93 0.93 -2.27 0.00 0.00 179.45 177.38 1m12 h GLU 27 N 0.28 0.41 -0.73 1.90 4.39 -1.88 -2.31 114.58 116.63 1m12 h GLU 27 Ca 0.25 -0.43 -0.06 0.00 0.34 0.00 0.00 59.36 59.46 1m12 h GLU 27 Cb 0.62 0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 1m12 h GLU 27 CO -0.05 1.10 0.22 0.82 -1.16 0.00 0.00 179.01 179.93 1m12 h ILE 28 N 0.23 1.26 -0.01 3.13 2.04 -1.10 -0.71 117.51 122.36 1m12 h ILE 28 Ca -0.08 -0.92 -0.13 0.00 1.00 0.00 0.00 64.86 64.73 1m12 h ILE 28 Cb 1.56 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 38.09 1m12 h ILE 28 CO 0.16 0.36 -0.61 -0.07 0.00 0.00 0.00 178.15 177.99 1m12 h LEU 29 N 1.09 0.04 -0.26 1.44 3.38 -1.47 -2.61 115.31 116.92 1m12 h LEU 29 Ca 0.23 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.10 1m12 h LEU 29 Cb 0.32 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1m12 h LEU 29 CO -0.01 0.64 -0.15 -0.78 0.09 0.00 0.00 178.44 178.24 1m12 h ASP 30 N 0.03 0.59 0.60 -0.43 3.58 -0.81 -2.95 116.42 117.02 1m12 h ASP 30 Ca -0.01 -0.42 -0.03 0.00 0.42 0.00 0.00 57.03 56.99 1m12 h ASP 30 Cb 1.09 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.97 1m12 h ASP 30 CO 0.08 0.88 -0.16 0.00 -2.88 0.00 0.00 179.24 177.16 1m12 h ALA 31 N 0.72 1.16 0.00 -0.78 0.00 -1.06 -2.46 119.26 116.84 1m12 h ALA 31 Ca 0.06 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.82 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 0.20 0.20 1.19 0.00 0.00 0.00 179.25 180.88 1m12 n PHE 32 N -3.50 0.48 0.25 0.00 3.01 -0.99 -0.10 117.46 116.60 1m12 n PHE 32 Ca -0.01 0.25 0.12 0.00 1.01 0.00 0.00 57.45 58.82 1m12 n PHE 32 Cb 0.31 -0.76 0.18 0.00 -0.01 0.00 0.00 39.48 39.21 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 3.32 -1.60 -3.33 116.42 119.18 1m12 h ASP 33 Ca 0.00 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1m12 h ASP 33 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 1m12 h ASP 33 CO 0.00 0.00 -0.03 2.29 -1.72 0.00 0.00 179.24 179.78 1m12 n LYS 34 N -3.03 1.46 0.07 3.56 2.85 0.86 -4.78 118.16 119.14 1m12 n LYS 34 Ca 0.04 -1.14 -0.22 0.00 -1.05 0.00 0.00 58.31 55.94 1m12 n LYS 34 Cb 0.52 -0.80 -0.15 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 0.36 0.00 -1.58 4.05 -1.27 -2.97 114.93 113.52 1m12 h MET 35 Ca 0.00 -0.62 0.00 0.00 -0.28 0.00 0.00 59.70 58.80 1m12 h MET 35 Cb 0.80 0.23 0.00 0.00 -0.80 0.00 0.00 31.60 31.83 1m12 h MET 35 CO 0.00 1.29 0.00 0.00 0.23 0.00 0.00 176.91 178.43 1m12 n SER 37 N -1.13 1.52 -0.09 0.00 2.88 -1.12 -3.59 113.62 112.10 1m12 n SER 37 Ca 0.04 -2.10 0.07 0.00 -1.33 0.00 0.00 58.87 55.55 1m12 n SER 37 Cb 0.04 -0.30 0.10 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 0.10 1.88 -4.66 -1.46 5.02 -0.49 -5.02 118.16 113.54 1m12 n LYS 38 Ca 0.07 -2.26 -0.24 0.00 -2.02 0.00 0.00 58.31 53.86 1m12 n LYS 38 Cb 0.30 -1.36 -0.14 0.00 -0.02 0.00 0.00 35.03 33.81 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 -2.29 2.12 0.93 -0.35 1.43 -1.24 -5.12 118.68 114.16 1m12 s LEU 39 Ca 0.23 -0.43 -0.15 0.00 -1.03 0.00 0.00 54.13 52.74 1m12 s LEU 39 Cb 0.20 -0.88 -0.07 0.00 0.03 0.00 0.00 46.19 45.47 1m12 s LEU 39 CO 0.02 0.16 -0.19 -2.65 0.23 0.00 0.00 176.35 173.92 1m12 n PRO 40 N 2.15 -0.08 0.19 1.29 -0.02 -1.26 -4.73 135.00 132.54 1m12 n PRO 40 Ca -0.16 -0.00 0.14 0.00 -2.02 0.00 0.00 63.50 61.45 1m12 n PRO 40 Cb 0.54 -1.40 0.66 0.00 -0.02 0.00 0.00 33.50 33.28 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 -1.09 0.00 0.00 -0.52 3.64 -2.00 -2.96 116.57 113.65 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 0.66 -2.27 0.00 0.00 179.45 178.14 1m12 h SER 42 N 0.00 0.00 -0.01 4.20 4.64 -2.03 -2.96 113.55 117.39 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 -0.03 0.18 -0.87 0.00 0.00 176.83 176.11 1m12 n LEU 43 N -2.69 1.33 -0.31 5.97 4.77 -1.12 -4.71 117.00 120.24 1m12 n LEU 43 Ca 0.01 -0.94 -0.01 0.00 -0.03 0.00 0.00 56.01 55.04 1m12 n LEU 43 Cb 0.27 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.39 1m12 n LEU 43 CO 0.24 0.28 0.47 -0.24 -1.33 0.00 0.00 177.39 176.81 1m12 n SER 44 N 0.15 -0.54 0.18 -1.43 2.88 -1.12 -2.36 113.62 111.37 1m12 n SER 44 Ca 0.03 1.41 -0.14 0.00 -1.33 0.00 0.00 58.87 58.84 1m12 n SER 44 Cb 0.13 -0.32 -0.08 0.00 -0.75 0.00 0.00 64.21 63.20 1m12 n SER 44 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1m12 h GLU 45 N 0.00 -0.39 0.00 -1.46 4.81 -1.84 -2.58 114.58 113.12 1m12 h GLU 45 Ca 0.27 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 1m12 h GLU 45 Cb 0.48 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 1m12 h GLU 45 CO -0.80 -0.20 -0.01 0.93 -0.73 0.00 0.00 179.01 178.20 1m12 h GLU 46 N -0.50 0.00 0.05 1.92 4.39 -1.80 -1.54 114.58 117.09 1m12 h GLU 46 Ca -0.04 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.50 1m12 h GLU 46 Cb 0.38 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.04 1m12 h GLU 46 CO 0.07 0.01 -0.64 0.00 -1.16 0.00 0.00 179.01 177.29 1m12 h GLN 48 N -0.23 0.53 -0.44 0.00 -0.00 -0.89 0.61 115.11 114.68 1m12 h GLN 48 Ca -0.09 -0.03 -0.14 0.00 -0.00 0.00 0.00 58.65 58.38 1m12 h GLN 48 Cb 1.40 -0.12 -0.01 0.00 0.00 0.00 0.00 27.48 28.75 1m12 h GLN 48 CO 0.12 0.35 -0.28 1.49 0.00 0.00 0.00 178.83 180.52 1m12 h GLU 49 N 0.55 0.97 0.09 1.69 4.81 -1.50 -0.11 114.58 121.07 1m12 h GLU 49 Ca 0.37 -0.45 -0.00 0.00 -0.13 0.00 0.00 59.36 59.14 1m12 h GLU 49 Cb 0.44 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1m12 h GLU 49 CO -0.31 1.12 -0.04 0.28 -0.73 0.00 0.00 179.01 179.33 1m12 h VAL 50 N 0.80 1.15 0.30 0.32 2.07 -0.65 -0.83 116.25 119.42 1m12 h VAL 50 Ca 0.09 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 1m12 h VAL 50 Cb 0.86 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1m12 h VAL 50 CO 0.08 0.23 -0.15 0.58 0.02 0.00 0.00 177.57 178.34 1m12 h VAL 51 N -0.57 0.71 -0.59 2.57 2.07 0.14 0.77 116.25 121.35 1m12 h VAL 51 Ca -0.01 -0.09 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1m12 h VAL 51 Cb 0.47 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.98 1m12 h VAL 51 CO 0.02 0.02 0.22 -0.78 0.02 0.00 0.00 177.57 177.07 1m12 h ASP 52 N -0.46 0.83 0.18 0.57 3.58 -1.09 0.19 116.42 120.22 1m12 h ASP 52 Ca -0.04 -0.18 -0.36 0.00 0.42 0.00 0.00 57.03 56.87 1m12 h ASP 52 Cb 0.35 -0.22 0.00 0.00 1.72 0.00 0.00 39.33 41.18 1m12 h ASP 52 CO 0.07 0.79 -1.83 0.74 -2.88 0.00 0.00 179.24 176.13 1m12 h THR 53 N 0.82 0.84 -0.49 2.25 2.02 -1.13 -3.38 112.91 113.84 1m12 h THR 53 Ca 0.19 -2.46 -0.27 0.00 0.77 0.00 0.00 66.41 64.64 1m12 h THR 53 Cb 0.23 2.69 -0.16 0.00 -1.74 0.00 0.00 68.15 69.17 1m12 h THR 53 CO -0.01 0.87 0.03 -1.22 0.37 0.00 0.00 175.52 175.56 1m12 n TYR 54 N -3.56 1.54 -0.07 3.16 4.02 0.27 -4.73 117.16 117.80 1m12 n TYR 54 Ca -0.27 -1.73 -0.10 0.00 -0.01 0.00 0.00 57.90 55.79 1m12 n TYR 54 Cb 1.07 -0.59 -0.09 0.00 -0.02 0.00 0.00 39.34 39.71 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 1.08 0.00 2.00 2.72 0.00 -0.57 -2.82 103.07 105.49 1m12 h GLY 55 Ca 0.31 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.56 1m12 h GLY 55 CO 0.56 0.00 -0.38 1.76 0.00 0.00 0.00 176.54 178.48 1m12 h SER 56 N -1.00 0.00 0.01 0.19 0.02 -1.85 -2.95 113.55 107.98 1m12 h SER 56 Ca -0.02 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 1m12 h SER 56 Cb 0.70 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.24 1m12 h SER 56 CO -0.01 0.38 -0.30 0.77 -1.14 0.00 0.00 176.83 176.53 1m12 h SER 57 N 0.00 0.24 0.13 3.07 4.64 -1.87 -1.95 113.55 117.81 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 0.69 -0.07 -0.03 0.00 -0.31 0.00 0.00 62.40 62.68 1m12 h SER 57 CO 0.05 1.02 -0.23 0.40 -0.87 0.00 0.00 176.83 177.20 1m12 h ILE 58 N -0.51 0.49 0.00 0.95 2.04 -1.53 -0.39 117.51 118.56 1m12 h ILE 58 Ca -0.04 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.81 1m12 h ILE 58 Cb 1.08 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1m12 h ILE 58 CO 0.06 0.00 -0.04 0.25 0.00 0.00 0.00 178.15 178.42 1m12 h LEU 59 N -0.44 0.00 0.11 1.44 5.85 -1.62 -2.11 115.31 118.55 1m12 h LEU 59 Ca 0.02 0.00 -0.28 0.00 0.84 0.00 0.00 57.88 58.47 1m12 h LEU 59 Cb 0.45 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.49 1m12 h LEU 59 CO -0.12 0.04 -1.24 0.28 -0.34 0.00 0.00 178.44 177.06 1m12 h SER 60 N 0.00 0.49 -0.05 1.25 0.02 -0.29 -3.23 113.55 111.74 1m12 h SER 60 Ca -0.00 -0.51 -0.02 0.00 -0.84 0.00 0.00 61.79 60.41 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 0.01 1.39 -0.06 0.40 -1.14 0.00 0.00 176.83 177.43 1m12 h ILE 61 N 0.10 1.39 -0.89 3.27 2.04 -0.60 -3.19 117.51 119.63 1m12 h ILE 61 Ca -0.14 -1.24 0.10 0.00 1.00 0.00 0.00 64.86 64.57 1m12 h ILE 61 Cb 1.96 2.11 -0.06 0.00 -0.74 0.00 0.00 36.82 40.08 1m12 h ILE 61 CO 0.21 0.34 0.57 -0.07 0.00 0.00 0.00 178.15 179.20 1m12 h LEU 62 N -0.34 0.78 -0.29 1.44 3.38 -1.53 0.22 115.31 118.98 1m12 h LEU 62 Ca 0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1m12 h LEU 62 Cb 0.58 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.19 1m12 h LEU 62 CO 0.01 0.45 0.00 0.18 0.09 0.00 0.00 178.44 179.18 1m12 n LEU 63 N -4.53 0.25 -0.40 1.67 4.32 -1.21 -1.82 117.00 115.28 1m12 n LEU 63 Ca 0.15 0.57 0.14 0.00 -0.02 0.00 0.00 56.01 56.85 1m12 n LEU 63 Cb 0.32 -0.54 0.59 0.00 -1.62 0.00 0.00 43.42 42.17 1m12 n LEU 63 CO 0.31 -0.39 0.90 -0.62 -1.22 0.00 0.00 177.39 176.37 1m12 n GLU 64 N -1.79 1.55 -1.68 3.23 -0.58 0.79 -4.91 120.64 117.26 1m12 n GLU 64 Ca 0.03 -0.81 0.00 0.00 -0.42 0.00 0.00 57.16 55.96 1m12 n GLU 64 Cb 0.18 -1.48 0.00 0.00 -0.57 0.00 0.00 31.44 29.57 1m12 n GLU 64 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1m12 n GLU 65 N -0.02 0.00 -3.38 3.49 2.13 -0.76 -5.05 120.64 117.05 1m12 n GLU 65 Ca 0.20 0.11 -0.35 0.00 0.66 0.00 0.00 57.16 57.77 1m12 n GLU 65 Cb 0.31 -3.42 -0.06 0.00 0.27 0.00 0.00 31.44 28.55 1m12 n GLU 65 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1m12 s VAL 66 N -2.00 4.88 0.56 6.31 1.01 -1.25 -5.03 120.40 124.88 1m12 s VAL 66 Ca 0.00 0.80 -0.19 0.00 0.00 0.00 0.00 61.98 62.59 1m12 s VAL 66 Cb 0.00 -3.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.57 1m12 s VAL 66 CO 0.00 0.26 0.70 -1.20 0.00 0.00 0.00 175.10 174.87 1m12 n SER 67 N 0.86 -0.28 -0.08 3.32 7.64 -1.26 -4.78 113.62 119.03 1m12 n SER 67 Ca -0.06 0.79 -0.03 0.00 1.01 0.00 0.00 58.87 60.58 1m12 n SER 67 Cb 0.52 -1.25 0.19 0.00 -1.01 0.00 0.00 64.21 62.66 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 0.45 0.72 0.00 1.43 0.13 -1.98 -2.90 132.00 129.85 1m12 h PRO 68 Ca -0.46 -0.19 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 1m12 h PRO 68 Cb 1.38 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.43 1m12 h PRO 68 CO 0.49 0.74 0.00 1.49 -0.23 0.00 0.00 178.00 180.50 1m12 h GLU 69 N 0.67 0.00 0.00 0.86 4.57 -2.01 -2.83 114.58 115.85 1m12 h GLU 69 Ca 0.13 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.31 1m12 h GLU 69 Cb 0.44 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.03 1m12 h GLU 69 CO 0.02 0.00 0.00 1.28 -1.18 0.00 0.00 179.01 179.13 1m12 n LEU 70 N -2.95 0.70 0.26 1.64 4.77 -1.10 -3.38 117.00 116.95 1m12 n LEU 70 Ca 0.03 0.65 -0.14 0.00 -0.03 0.00 0.00 56.01 56.52 1m12 n LEU 70 Cb 0.45 -0.53 -0.08 0.00 -2.33 0.00 0.00 43.42 40.93 1m12 n LEU 70 CO 0.31 -0.50 0.51 0.58 -1.33 0.00 0.00 177.39 176.96 1m12 h VAL 71 N 0.00 0.39 0.00 4.08 2.07 -1.60 0.40 116.25 121.60 1m12 h VAL 71 Ca 0.00 -0.39 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 1m12 h VAL 71 Cb 0.43 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1m12 h VAL 71 CO 0.00 0.05 -0.15 0.00 0.02 0.00 0.00 177.57 177.49 1m12 h SER 73 N 0.00 0.76 -0.24 0.00 0.02 -1.55 -2.27 113.55 110.27 1m12 h SER 73 Ca -0.00 -0.86 -0.18 0.00 -0.84 0.00 0.00 61.79 59.91 1m12 h SER 73 Cb 0.34 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.64 1m12 h SER 73 CO 0.02 1.54 -0.55 0.24 -1.14 0.00 0.00 176.83 176.94 1m12 h MET 74 N 0.08 0.79 -0.52 3.45 2.86 0.09 -2.99 114.93 118.69 1m12 h MET 74 Ca -0.18 -0.53 0.00 0.00 -2.06 0.00 0.00 59.70 56.93 1m12 h MET 74 Cb 1.83 0.08 0.00 0.00 0.06 0.00 0.00 31.60 33.56 1m12 h MET 74 CO 0.21 1.16 0.00 1.28 1.06 0.00 0.00 176.91 180.62 1m12 n LEU 75 N -4.07 0.52 -0.97 1.22 4.77 -0.54 -4.75 117.00 113.19 1m12 n LEU 75 Ca -0.05 -0.26 -0.05 0.00 -0.03 0.00 0.00 56.01 55.61 1m12 n LEU 75 Cb 0.63 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.43 1m12 n LEU 75 CO 0.50 0.13 -0.05 0.00 -1.33 0.00 0.00 177.39 176.64 1m12 n HIS 76 N 0.04 -0.58 0.74 -1.77 1.44 -1.13 -4.68 115.22 109.29 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 -1.60 0.48 0.00 0.12 0.00 0.00 29.99 29.11 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 -1.16 0.53 0.00 2.39 7.94 -1.11 -4.07 117.00 121.53 1m12 n LEU 77 Ca -0.05 0.55 0.00 0.00 -1.11 0.00 0.00 56.01 55.40 1m12 n LEU 77 Cb 0.20 -0.39 0.00 0.00 0.53 0.00 0.00 43.42 43.76 1m12 n LEU 77 CO 0.08 -0.14 -0.27 0.00 -1.11 0.00 0.00 177.39 175.95 1m12 n SER 79 N -1.59 0.00 0.00 0.00 2.88 -1.26 -4.70 113.62 108.95 1m12 n SER 79 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1m12 n SER 79 Cb 0.27 -1.18 0.00 0.00 -0.75 0.00 0.00 64.21 62.55 1m12 n SER 79 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1m12 n GLY 80 N -2.00 0.76 4.26 0.46 0.00 -1.26 -4.93 105.19 102.48 1m12 n GLY 80 Ca 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 0.17 -4.59 0.99 4.77 -1.26 -4.92 117.00 112.16 1m12 n LEU 81 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.61 1m12 n LEU 81 Cb 0.00 -0.53 -0.11 0.00 -2.33 0.00 0.00 43.42 40.45 1m12 n LEU 81 CO 0.00 -0.09 -0.21 0.68 -1.33 0.00 0.00 177.39 176.45 1m12 s VAL 82 N -1.63 5.04 0.61 4.08 -7.23 -1.26 -5.08 120.40 114.92 1m12 s VAL 82 Ca 0.00 0.07 -0.18 0.00 -1.81 0.00 0.00 61.98 60.06 1m12 s VAL 82 Cb 0.00 -3.36 -0.03 0.00 0.56 0.00 0.00 36.38 33.56 1m12 s VAL 82 CO 0.00 0.33 1.22 -2.16 -0.31 0.00 0.00 175.10 174.18 1m12 s PRO 83 N 1.29 2.87 0.00 4.82 0.04 -1.26 -5.20 135.00 137.56 1m12 s PRO 83 Ca 0.06 1.86 0.29 0.00 0.04 0.00 0.00 61.00 63.25 1m12 s PRO 83 Cb -0.14 -1.91 1.76 0.00 0.04 0.00 0.00 34.50 34.24 1m12 s PRO 83 CO 0.06 -1.30 2.09 0.54 0.04 0.00 0.00 177.00 178.43