#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 5.20 0.34 4.04 -4.77 -1.26 -4.83 116.67 115.39 1m12 s ASP 2 Ca 0.00 1.33 0.26 0.00 -3.30 0.00 0.00 52.55 50.84 1m12 s ASP 2 Cb 0.00 -2.51 0.90 0.00 -1.09 0.00 0.00 42.92 40.21 1m12 s ASP 2 CO 0.00 -2.25 1.77 -0.37 0.70 0.00 0.00 175.17 175.02 1m12 h VAL 3 N 7.22 0.00 0.00 2.11 -1.51 -2.02 -3.33 116.25 118.73 1m12 h VAL 3 Ca -0.32 -0.51 -0.00 0.00 -1.23 0.00 0.00 66.70 64.64 1m12 h VAL 3 Cb 1.22 1.43 0.00 0.00 -2.13 0.00 0.00 31.29 31.81 1m12 h VAL 3 CO 1.07 0.00 -0.00 1.88 -1.23 0.00 0.00 177.57 179.29 1m12 h TYR 4 N 0.00 -0.00 -0.60 5.19 0.05 -1.94 -3.08 116.97 116.59 1m12 h TYR 4 Ca 0.00 -0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.85 1m12 h TYR 4 Cb 0.62 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.31 1m12 h TYR 4 CO 0.00 0.61 0.29 0.00 -1.05 0.00 0.00 178.16 178.01 1m12 h GLU 6 N 0.53 0.78 -0.17 0.00 5.08 -1.67 -1.53 114.58 117.60 1m12 h GLU 6 Ca 0.28 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 1m12 h GLU 6 Cb 0.25 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1m12 h GLU 6 CO -0.22 0.52 -0.22 0.28 -1.00 0.00 0.00 179.01 178.36 1m12 h VAL 7 N 0.80 1.35 -0.72 3.13 2.07 -0.99 -1.69 116.25 120.20 1m12 h VAL 7 Ca 0.54 -1.43 0.03 0.00 0.82 0.00 0.00 66.70 66.67 1m12 h VAL 7 Cb 0.80 1.89 -0.05 0.00 -1.52 0.00 0.00 31.29 32.41 1m12 h VAL 7 CO -0.33 0.43 0.45 0.00 0.02 0.00 0.00 177.57 178.14 1m12 h GLU 9 N 0.87 0.00 -0.10 0.00 4.39 -1.37 -1.54 114.58 116.84 1m12 h GLU 9 Ca 0.29 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.95 1m12 h GLU 9 Cb 0.03 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 1m12 h GLU 9 CO -0.12 0.52 -0.09 0.35 -1.16 0.00 0.00 179.01 178.51 1m12 h PHE 10 N 0.00 0.28 -0.55 4.33 3.04 -0.19 -1.00 116.94 122.85 1m12 h PHE 10 Ca -0.01 -0.08 -0.02 0.00 3.98 0.00 0.00 57.97 61.84 1m12 h PHE 10 Cb 0.94 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 39.37 1m12 h PHE 10 CO 0.00 0.66 0.27 -0.07 -2.02 0.00 0.00 178.31 177.14 1m12 h LEU 11 N -0.18 0.72 -0.16 0.59 3.38 -0.89 -0.63 115.31 118.14 1m12 h LEU 11 Ca 0.02 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1m12 h LEU 11 Cb 0.61 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1m12 h LEU 11 CO 0.02 0.64 0.11 0.58 0.09 0.00 0.00 178.44 179.88 1m12 h VAL 12 N 0.74 1.05 -0.48 1.22 2.07 -1.24 0.63 116.25 120.23 1m12 h VAL 12 Ca 0.19 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.63 1m12 h VAL 12 Cb 0.11 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1m12 h VAL 12 CO -0.02 0.05 0.29 0.50 0.02 0.00 0.00 177.57 178.40 1m12 h LYS 13 N 0.21 0.57 -0.43 1.57 3.64 -0.90 0.76 116.57 121.99 1m12 h LYS 13 Ca 0.06 -0.03 -0.15 0.00 -1.27 0.00 0.00 60.65 59.26 1m12 h LYS 13 Cb -0.02 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1m12 h LYS 13 CO -0.01 0.38 -0.30 1.49 -2.27 0.00 0.00 179.45 178.73 1m12 h GLU 14 N 0.59 0.96 -0.35 1.90 4.22 -0.77 -2.63 114.58 118.49 1m12 h GLU 14 Ca 0.19 -0.45 -0.05 0.00 0.08 0.00 0.00 59.36 59.12 1m12 h GLU 14 Cb -0.00 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.23 1m12 h GLU 14 CO -0.08 1.12 0.01 0.28 -2.18 0.00 0.00 179.01 178.16 1m12 h VAL 15 N 0.80 1.26 -0.88 0.32 2.07 0.71 -2.23 116.25 118.31 1m12 h VAL 15 Ca 0.09 -0.96 -0.02 0.00 0.82 0.00 0.00 66.70 66.62 1m12 h VAL 15 Cb 0.89 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.81 1m12 h VAL 15 CO 0.08 0.32 0.46 0.71 0.02 0.00 0.00 177.57 179.16 1m12 h THR 16 N 0.43 1.26 -0.52 2.57 1.35 -0.80 0.59 112.91 117.79 1m12 h THR 16 Ca 0.10 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.28 1m12 h THR 16 Cb 0.45 0.10 -0.03 0.00 -1.73 0.00 0.00 68.15 66.94 1m12 h THR 16 CO 0.02 0.30 0.33 0.50 -0.25 0.00 0.00 175.52 176.42 1m12 h LYS 17 N 1.24 0.68 -0.15 4.72 3.64 -1.32 1.19 116.57 126.58 1m12 h LYS 17 Ca 0.31 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.46 1m12 h LYS 17 Cb 0.07 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 31.73 1m12 h LYS 17 CO -0.04 0.46 -0.64 -0.07 -2.27 0.00 0.00 179.45 176.89 1m12 h LEU 18 N 0.70 0.64 -0.80 5.20 3.38 -0.39 0.85 115.31 124.90 1m12 h LEU 18 Ca 0.19 -0.38 -0.13 0.00 0.09 0.00 0.00 57.88 57.66 1m12 h LEU 18 Cb -0.06 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.49 1m12 h LEU 18 CO -0.04 1.11 -0.52 0.40 0.09 0.00 0.00 178.44 179.49 1m12 h ILE 19 N 0.41 1.36 0.00 1.22 2.04 0.19 -2.55 117.51 120.18 1m12 h ILE 19 Ca -0.01 -1.79 -0.06 0.00 1.00 0.00 0.00 64.86 64.00 1m12 h ILE 19 Cb 1.21 1.88 -0.01 0.00 -0.74 0.00 0.00 36.82 39.15 1m12 h ILE 19 CO 0.12 0.53 -0.30 0.44 0.00 0.00 0.00 178.15 178.93 1m12 h ASP 20 N 0.17 0.00 -0.04 1.72 3.32 0.18 -2.99 116.42 118.77 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 0.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1m12 h ASP 20 CO 0.08 0.30 0.00 -3.20 -1.72 0.00 0.00 179.24 174.70 1m12 n ASN 21 N -3.28 1.19 -0.53 6.45 4.05 0.26 -4.93 115.26 118.46 1m12 n ASN 21 Ca 0.01 -1.44 0.00 0.00 0.45 0.00 0.00 54.58 53.60 1m12 n ASN 21 Cb 0.57 -0.02 0.00 0.00 1.23 0.00 0.00 39.78 41.56 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 -0.06 -1.91 -4.90 1.20 2.85 -1.13 -5.07 115.26 106.24 1m12 n ASN 22 Ca 0.19 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.35 1m12 n ASN 22 Cb 0.29 -0.48 -0.04 0.00 1.24 0.00 0.00 39.78 40.79 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 -4.68 3.57 0.93 1.20 1.02 -1.08 -5.07 119.74 115.63 1m12 s LYS 23 Ca 0.00 -0.19 -0.14 0.00 0.02 0.00 0.00 55.97 55.65 1m12 s LYS 23 Cb 0.00 -2.90 0.16 0.00 -0.52 0.00 0.00 37.83 34.57 1m12 s LYS 23 CO 0.00 0.50 1.22 0.95 -0.92 0.00 0.00 175.35 177.10 1m12 s THR 24 N -1.63 1.96 0.12 2.17 -4.23 -1.26 -4.83 115.64 107.94 1m12 s THR 24 Ca 0.39 0.00 -0.14 0.00 -1.18 0.00 0.00 61.69 60.76 1m12 s THR 24 Cb -0.12 -2.90 -0.04 0.00 1.34 0.00 0.00 72.50 70.77 1m12 s THR 24 CO 0.26 0.00 1.51 -0.08 -0.54 0.00 0.00 174.62 175.77 1m12 h GLU 25 N -1.53 0.73 -0.58 3.99 4.81 -2.00 -2.77 114.58 117.24 1m12 h GLU 25 Ca -0.46 -0.29 0.12 0.00 -0.13 0.00 0.00 59.36 58.60 1m12 h GLU 25 Cb 1.29 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 30.60 1m12 h GLU 25 CO 0.51 0.89 0.39 0.87 -0.73 0.00 0.00 179.01 180.95 1m12 h LYS 26 N 0.53 0.25 0.05 1.92 1.79 -2.00 -1.69 116.57 117.43 1m12 h LYS 26 Ca 0.09 -0.02 -0.25 0.00 -2.18 0.00 0.00 60.65 58.29 1m12 h LYS 26 Cb 0.64 -0.06 0.01 0.00 -1.58 0.00 0.00 32.23 31.24 1m12 h LYS 26 CO 0.04 0.17 -1.07 0.93 -1.08 0.00 0.00 179.45 178.44 1m12 h GLU 27 N 0.26 0.45 -0.73 3.15 4.39 -1.87 -2.30 114.58 117.93 1m12 h GLU 27 Ca 0.27 -0.55 -0.06 0.00 0.34 0.00 0.00 59.36 59.36 1m12 h GLU 27 Cb 0.73 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.52 1m12 h GLU 27 CO -0.06 1.20 0.21 0.82 -1.16 0.00 0.00 179.01 180.02 1m12 h ILE 28 N 0.22 1.26 0.00 3.13 2.04 -1.11 0.02 117.51 123.08 1m12 h ILE 28 Ca -0.12 -0.93 -0.11 0.00 1.00 0.00 0.00 64.86 64.70 1m12 h ILE 28 Cb 1.73 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.28 1m12 h ILE 28 CO 0.19 0.36 -0.51 -0.07 0.00 0.00 0.00 178.15 178.12 1m12 h LEU 29 N 1.09 0.00 -0.14 1.44 3.38 -1.49 -2.46 115.31 117.13 1m12 h LEU 29 Ca 0.23 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 1m12 h LEU 29 Cb 0.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 1m12 h LEU 29 CO -0.00 0.51 -0.19 0.44 0.09 0.00 0.00 178.44 179.29 1m12 h ASP 30 N 0.00 0.42 0.53 -0.43 3.32 -0.76 -3.06 116.42 116.44 1m12 h ASP 30 Ca -0.01 -0.51 -0.03 0.00 0.02 0.00 0.00 57.03 56.50 1m12 h ASP 30 Cb 1.03 -0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.46 1m12 h ASP 30 CO 0.07 0.85 -0.15 0.00 -1.72 0.00 0.00 179.24 178.28 1m12 h ALA 31 N 0.58 1.20 0.00 3.45 0.00 -0.93 -2.45 119.26 121.11 1m12 h ALA 31 Ca 0.02 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1m12 h ALA 31 Cb 0.75 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1m12 h ALA 31 CO 0.05 0.19 0.24 1.19 0.00 0.00 0.00 179.25 180.92 1m12 n PHE 32 N -3.56 0.37 0.33 0.00 3.01 -0.93 0.12 117.46 116.81 1m12 n PHE 32 Ca -0.01 0.19 0.12 0.00 1.01 0.00 0.00 57.45 58.76 1m12 n PHE 32 Cb 0.30 -0.63 0.21 0.00 -0.01 0.00 0.00 39.48 39.34 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 -1.61 -3.33 116.42 117.67 1m12 h ASP 33 Ca 0.00 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.63 1m12 h ASP 33 Cb 0.48 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.49 1m12 h ASP 33 CO 0.00 0.01 -0.04 2.29 -1.61 0.00 0.00 179.24 179.89 1m12 n LYS 34 N -2.79 1.24 0.09 0.28 2.85 0.12 -4.79 118.16 115.17 1m12 n LYS 34 Ca 0.04 -1.07 -0.22 0.00 -1.05 0.00 0.00 58.31 56.01 1m12 n LYS 34 Cb 0.50 -0.76 -0.15 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 0.41 0.00 -1.58 4.05 -1.28 -2.86 114.93 113.67 1m12 h MET 35 Ca 0.00 -0.70 0.00 0.00 -0.28 0.00 0.00 59.70 58.72 1m12 h MET 35 Cb 0.84 0.26 0.00 0.00 -0.80 0.00 0.00 31.60 31.90 1m12 h MET 35 CO 0.00 1.33 0.00 0.00 0.23 0.00 0.00 176.91 178.47 1m12 n SER 37 N -1.07 0.13 -0.31 0.00 2.88 -1.08 -3.24 113.62 110.93 1m12 n SER 37 Ca 0.05 -1.61 0.05 0.00 -1.33 0.00 0.00 58.87 56.03 1m12 n SER 37 Cb 0.03 -0.01 0.02 0.00 -0.75 0.00 0.00 64.21 63.50 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 -0.62 1.26 -4.15 -1.46 5.02 -0.64 -4.97 118.16 112.60 1m12 n LYS 38 Ca 0.10 -0.85 -0.35 0.00 -2.02 0.00 0.00 58.31 55.19 1m12 n LYS 38 Cb 0.07 -1.13 -0.08 0.00 -0.02 0.00 0.00 35.03 33.86 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 -1.22 3.93 0.89 -0.35 1.43 -1.20 -5.07 118.68 117.09 1m12 s LEU 39 Ca 0.10 0.26 -0.16 0.00 -1.03 0.00 0.00 54.13 53.30 1m12 s LEU 39 Cb 0.08 -1.99 -0.11 0.00 0.03 0.00 0.00 46.19 44.21 1m12 s LEU 39 CO 0.18 0.37 -0.36 -2.65 0.23 0.00 0.00 176.35 174.13 1m12 n PRO 40 N 1.92 -0.02 0.28 1.29 -0.02 -1.26 -4.70 135.00 132.49 1m12 n PRO 40 Ca -0.18 0.01 0.14 0.00 -2.02 0.00 0.00 63.50 61.45 1m12 n PRO 40 Cb 0.54 -1.23 0.83 0.00 -0.02 0.00 0.00 33.50 33.62 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 -0.88 0.00 0.00 -0.52 3.64 -1.97 -2.63 116.57 114.21 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 1.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1m12 h LYS 41 CO 0.30 0.07 0.00 0.45 -2.27 0.00 0.00 179.45 177.99 1m12 n SER 42 N -3.65 0.00 -0.11 4.20 2.88 -1.26 -2.46 113.62 113.22 1m12 n SER 42 Ca -0.02 0.14 0.03 0.00 -1.33 0.00 0.00 58.87 57.69 1m12 n SER 42 Cb 0.17 -0.35 -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 -1.35 0.81 0.00 2.46 7.94 -1.00 -4.79 117.00 121.08 1m12 n LEU 43 Ca 0.09 -0.71 0.00 0.00 -1.11 0.00 0.00 56.01 54.28 1m12 n LEU 43 Cb 0.19 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.14 1m12 n LEU 43 CO 0.17 0.17 0.45 -0.24 -1.11 0.00 0.00 177.39 176.84 1m12 n SER 44 N -0.51 0.00 0.02 1.96 2.88 -1.03 -3.29 113.62 113.66 1m12 n SER 44 Ca 0.02 0.90 -0.11 0.00 -1.33 0.00 0.00 58.87 58.35 1m12 n SER 44 Cb 0.12 -0.45 -0.04 0.00 -0.75 0.00 0.00 64.21 63.10 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 -0.36 -0.04 -1.46 4.39 -1.86 -2.00 114.58 113.24 1m12 h GLU 45 Ca 0.00 0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.74 1m12 h GLU 45 Cb 0.00 0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 1m12 h GLU 45 CO 0.00 -0.24 0.23 0.93 -1.16 0.00 0.00 179.01 178.78 1m12 h GLU 46 N -0.37 0.00 0.16 2.33 3.07 -1.91 0.40 114.58 118.26 1m12 h GLU 46 Ca 0.09 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.72 1m12 h GLU 46 Cb 0.50 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.43 1m12 h GLU 46 CO -0.30 0.00 -1.02 0.00 -1.40 0.00 0.00 179.01 176.29 1m12 h GLN 48 N -0.25 0.83 -0.40 0.00 4.15 -0.71 0.31 115.11 119.03 1m12 h GLN 48 Ca -0.18 -0.05 -0.13 0.00 0.77 0.00 0.00 58.65 59.05 1m12 h GLN 48 Cb 1.77 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 29.27 1m12 h GLN 48 CO 0.17 0.55 -0.27 1.49 -1.93 0.00 0.00 178.83 178.84 1m12 h GLU 49 N 0.85 0.90 0.15 1.69 4.81 -1.54 0.09 114.58 121.52 1m12 h GLU 49 Ca 0.52 -0.43 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1m12 h GLU 49 Cb 0.66 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1m12 h GLU 49 CO -0.32 1.08 -0.07 0.28 -0.73 0.00 0.00 179.01 179.24 1m12 h VAL 50 N 0.72 1.00 0.46 0.32 2.07 -1.00 -0.83 116.25 118.98 1m12 h VAL 50 Ca 0.08 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.66 1m12 h VAL 50 Cb 0.85 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1m12 h VAL 50 CO 0.07 0.21 -0.23 0.58 0.02 0.00 0.00 177.57 178.22 1m12 h VAL 51 N -0.66 0.54 -0.65 2.57 2.07 -0.48 1.03 116.25 120.67 1m12 h VAL 51 Ca -0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.47 1m12 h VAL 51 Cb 0.49 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1m12 h VAL 51 CO 0.03 0.00 0.28 -0.78 0.02 0.00 0.00 177.57 177.12 1m12 h ASP 52 N -0.63 0.87 0.18 0.57 3.58 -1.06 0.34 116.42 120.27 1m12 h ASP 52 Ca -0.06 -0.15 -0.35 0.00 0.42 0.00 0.00 57.03 56.88 1m12 h ASP 52 Cb 0.49 -0.22 0.01 0.00 1.72 0.00 0.00 39.33 41.32 1m12 h ASP 52 CO 0.10 0.78 -1.76 0.74 -2.88 0.00 0.00 179.24 176.22 1m12 h THR 53 N 0.90 0.92 -0.48 2.25 2.02 -1.11 -3.38 112.91 114.03 1m12 h THR 53 Ca 0.22 -2.50 -0.26 0.00 0.77 0.00 0.00 66.41 64.64 1m12 h THR 53 Cb 0.17 2.75 -0.15 0.00 -1.74 0.00 0.00 68.15 69.17 1m12 h THR 53 CO -0.02 0.86 0.02 -1.22 0.37 0.00 0.00 175.52 175.53 1m12 n TYR 54 N -3.60 1.49 -0.06 3.16 4.02 0.36 -4.73 117.16 117.79 1m12 n TYR 54 Ca -0.25 -1.71 -0.08 0.00 -0.01 0.00 0.00 57.90 55.84 1m12 n TYR 54 Cb 1.07 -0.58 -0.07 0.00 -0.02 0.00 0.00 39.34 39.74 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 1.07 0.00 1.96 2.72 0.00 -0.29 -2.83 103.07 105.70 1m12 h GLY 55 Ca 0.30 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.56 1m12 h GLY 55 CO 0.54 0.00 -0.34 1.76 0.00 0.00 0.00 176.54 178.50 1m12 h SER 56 N -1.00 0.05 -0.01 0.19 0.02 -1.85 -2.77 113.55 108.18 1m12 h SER 56 Ca -0.02 -0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.88 1m12 h SER 56 Cb 0.56 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.09 1m12 h SER 56 CO -0.01 0.39 -0.14 0.77 -1.14 0.00 0.00 176.83 176.70 1m12 h SER 57 N 0.04 0.13 -0.51 3.07 4.64 -1.87 -1.38 113.55 117.67 1m12 h SER 57 Ca 0.00 -0.75 0.09 0.00 -0.47 0.00 0.00 61.79 60.66 1m12 h SER 57 Cb 0.63 -0.04 -0.07 0.00 -0.31 0.00 0.00 62.40 62.61 1m12 h SER 57 CO 0.05 0.86 0.12 0.40 -0.87 0.00 0.00 176.83 177.39 1m12 h ILE 58 N -0.58 0.73 0.00 0.95 2.04 -1.51 0.22 117.51 119.36 1m12 h ILE 58 Ca -0.01 -0.09 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 1m12 h ILE 58 Cb 0.87 0.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1m12 h ILE 58 CO 0.03 0.05 -0.07 -0.07 0.00 0.00 0.00 178.15 178.09 1m12 h LEU 59 N 0.27 0.00 0.10 1.44 -0.00 -1.49 -2.36 115.31 113.27 1m12 h LEU 59 Ca 0.26 0.00 -0.28 0.00 -0.00 0.00 0.00 57.88 57.86 1m12 h LEU 59 Cb 0.34 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.99 1m12 h LEU 59 CO -0.32 0.07 -1.37 -1.28 -0.00 0.00 0.00 178.44 175.54 1m12 h SER 60 N 0.00 0.34 -0.06 -0.43 0.87 0.57 -3.29 113.55 111.56 1m12 h SER 60 Ca -0.00 -0.42 -0.06 0.00 -1.23 0.00 0.00 61.79 60.08 1m12 h SER 60 Cb 0.15 -0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.00 1m12 h SER 60 CO 0.01 1.34 -0.18 0.40 -0.53 0.00 0.00 176.83 177.87 1m12 h ILE 61 N 0.06 1.43 -0.80 2.23 2.04 -1.05 -3.13 117.51 118.30 1m12 h ILE 61 Ca -0.18 -1.55 0.11 0.00 1.00 0.00 0.00 64.86 64.24 1m12 h ILE 61 Cb 1.97 2.29 -0.06 0.00 -0.74 0.00 0.00 36.82 40.28 1m12 h ILE 61 CO 0.17 0.43 0.52 -0.07 0.00 0.00 0.00 178.15 179.21 1m12 h LEU 62 N -0.28 0.63 -0.52 1.44 3.38 -1.58 0.37 115.31 118.76 1m12 h LEU 62 Ca -0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1m12 h LEU 62 Cb 0.80 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1m12 h LEU 62 CO 0.04 0.37 0.00 0.18 0.09 0.00 0.00 178.44 179.12 1m12 n LEU 63 N -4.51 0.71 -1.45 1.67 4.77 -1.21 -2.66 117.00 114.32 1m12 n LEU 63 Ca 0.14 0.64 -0.08 0.00 -0.03 0.00 0.00 56.01 56.68 1m12 n LEU 63 Cb 0.36 -0.51 0.05 0.00 -2.33 0.00 0.00 43.42 40.99 1m12 n LEU 63 CO 0.32 -0.46 0.82 -0.62 -1.33 0.00 0.00 177.39 176.12 1m12 n GLU 64 N -2.25 1.41 -2.60 3.23 1.02 0.13 -4.80 120.64 116.77 1m12 n GLU 64 Ca 0.03 -0.94 -0.11 0.00 -0.02 0.00 0.00 57.16 56.12 1m12 n GLU 64 Cb 0.28 -1.37 -0.00 0.00 -0.02 0.00 0.00 31.44 30.33 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 0.14 -2.56 -3.40 3.49 -0.58 -1.09 -4.93 120.64 111.72 1m12 n GLU 65 Ca 0.19 0.44 -0.35 0.00 -0.42 0.00 0.00 57.16 57.01 1m12 n GLU 65 Cb 0.80 -5.03 -0.06 0.00 -0.57 0.00 0.00 31.44 26.59 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 -2.52 4.90 0.68 2.62 1.01 -1.25 -5.04 120.40 120.80 1m12 s VAL 66 Ca 0.06 0.78 -0.17 0.00 0.00 0.00 0.00 61.98 62.66 1m12 s VAL 66 Cb -0.03 -3.73 -0.03 0.00 0.00 0.00 0.00 36.38 32.59 1m12 s VAL 66 CO 0.08 0.27 0.83 -1.20 0.00 0.00 0.00 175.10 175.08 1m12 n SER 67 N 0.89 0.06 -0.13 3.32 7.64 -1.26 -4.77 113.62 119.36 1m12 n SER 67 Ca -0.06 0.69 -0.11 0.00 1.01 0.00 0.00 58.87 60.40 1m12 n SER 67 Cb 0.52 -1.34 -0.02 0.00 -1.01 0.00 0.00 64.21 62.36 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 -0.03 0.75 0.00 1.43 0.13 -1.97 -3.09 132.00 129.21 1m12 h PRO 68 Ca -0.47 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.38 1m12 h PRO 68 Cb 1.35 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1m12 h PRO 68 CO 0.47 0.88 0.00 1.05 -0.23 0.00 0.00 178.00 180.17 1m12 h GLU 69 N 0.56 0.00 0.00 0.86 9.09 -2.00 -2.36 114.58 120.73 1m12 h GLU 69 Ca 0.10 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.51 1m12 h GLU 69 Cb 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.69 1m12 h GLU 69 CO 0.04 0.00 0.00 -0.07 0.05 0.00 0.00 179.01 179.03 1m12 h LEU 70 N 0.00 0.00 0.44 3.06 3.38 -1.90 -3.23 115.31 117.06 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 0.57 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 -0.21 0.58 0.09 0.00 0.00 178.44 178.90 1m12 h VAL 71 N 0.00 0.47 0.00 1.22 2.07 -1.50 0.44 116.25 118.94 1m12 h VAL 71 Ca 0.00 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 1m12 h VAL 71 Cb 0.53 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 1m12 h VAL 71 CO 0.00 0.07 -0.17 0.00 0.02 0.00 0.00 177.57 177.49 1m12 h SER 73 N 0.00 0.71 -0.08 0.00 0.02 -1.55 -2.85 113.55 109.81 1m12 h SER 73 Ca -0.00 -0.60 -0.24 0.00 -0.84 0.00 0.00 61.79 60.10 1m12 h SER 73 Cb 0.36 -0.22 0.02 0.00 0.14 0.00 0.00 62.40 62.70 1m12 h SER 73 CO 0.02 1.41 -0.90 0.24 -1.14 0.00 0.00 176.83 176.46 1m12 h MET 74 N 0.28 0.75 -0.34 3.45 2.86 -0.60 -3.10 114.93 118.23 1m12 h MET 74 Ca -0.12 -0.70 0.00 0.00 -2.06 0.00 0.00 59.70 56.82 1m12 h MET 74 Cb 1.71 0.17 0.00 0.00 0.06 0.00 0.00 31.60 33.54 1m12 h MET 74 CO 0.19 1.29 0.00 1.28 1.06 0.00 0.00 176.91 180.73 1m12 n LEU 75 N -3.90 0.34 -1.40 1.22 4.77 -0.83 -4.77 117.00 112.43 1m12 n LEU 75 Ca -0.09 -0.17 -0.11 0.00 -0.03 0.00 0.00 56.01 55.61 1m12 n LEU 75 Cb 0.81 -0.17 -0.04 0.00 -2.33 0.00 0.00 43.42 41.69 1m12 n LEU 75 CO 0.54 0.08 -0.10 1.41 -1.33 0.00 0.00 177.39 177.99 1m12 n HIS 76 N -0.14 -0.57 0.82 -1.77 8.25 -1.17 -4.73 115.22 115.92 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 -2.29 0.39 0.00 1.12 0.00 0.00 29.99 29.29 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 -1.79 0.45 0.00 2.41 4.77 -1.15 -4.20 117.00 117.50 1m12 n LEU 77 Ca -0.11 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 1m12 n LEU 77 Cb 0.37 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1m12 n LEU 77 CO 0.16 -0.02 -0.26 0.00 -1.33 0.00 0.00 177.39 175.94 1m12 n SER 79 N -1.45 0.00 0.00 0.00 2.88 -1.26 -4.63 113.62 109.15 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 0.26 -1.50 0.00 0.00 -0.75 0.00 0.00 64.21 62.22 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 -0.26 3.33 0.46 0.00 -1.26 -4.61 105.19 100.85 1m12 n GLY 80 Ca 0.00 -1.74 -0.43 0.00 0.00 0.00 0.00 46.02 43.84 1m12 n GLY 80 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1m12 n LEU 81 N 0.00 5.54 -4.89 0.99 7.94 -1.26 -4.97 117.00 120.34 1m12 n LEU 81 Ca 0.00 -4.30 -0.31 0.00 -1.11 0.00 0.00 56.01 50.29 1m12 n LEU 81 Cb 0.00 -1.64 -0.05 0.00 0.53 0.00 0.00 43.42 42.26 1m12 n LEU 81 CO 0.00 0.70 0.12 0.68 -1.11 0.00 0.00 177.39 177.78 1m12 s VAL 82 N 2.32 5.07 -0.22 1.96 -7.23 -1.26 -4.91 120.40 116.14 1m12 s VAL 82 Ca 0.46 0.15 0.03 0.00 -1.81 0.00 0.00 61.98 60.81 1m12 s VAL 82 Cb 0.03 -3.64 0.03 0.00 0.56 0.00 0.00 36.38 33.36 1m12 s VAL 82 CO 0.02 -0.06 0.84 -2.65 -0.31 0.00 0.00 175.10 172.93 1m12 n PRO 83 N -0.18 0.02 0.00 4.82 -0.02 -1.26 -5.16 135.00 133.21 1m12 n PRO 83 Ca -0.01 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 1m12 n PRO 83 Cb 0.52 -1.92 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 1m12 n PRO 83 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35