#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h31 s GLU 2 N 0.00 3.77 -0.11 0.00 0.41 -1.26 -4.97 118.70 116.55 3h31 s GLU 2 Ca 0.00 1.05 -0.28 0.00 -0.41 0.00 0.00 54.97 55.33 3h31 s GLU 2 Cb 0.00 -2.11 -0.02 0.00 -1.78 0.00 0.00 34.13 30.23 3h31 s GLU 2 CO 0.00 -0.42 0.94 -1.17 -0.49 0.00 0.00 175.26 174.11 3h31 s LEU 3 N -4.13 4.25 0.08 1.80 2.96 -1.26 -5.01 118.68 117.37 3h31 s LEU 3 Ca 0.61 1.43 0.07 0.00 -0.22 0.00 0.00 54.13 56.02 3h31 s LEU 3 Cb -0.12 -3.44 -0.03 0.00 0.50 0.00 0.00 46.19 43.10 3h31 s LEU 3 CO 0.32 -0.39 -0.19 0.42 -1.32 0.00 0.00 176.35 175.19 3h31 s THR 4 N 1.84 1.53 -0.27 3.68 -4.23 -1.26 -5.07 115.64 111.86 3h31 s THR 4 Ca 0.45 -1.37 0.19 0.00 -1.18 0.00 0.00 61.69 59.78 3h31 s THR 4 Cb -0.18 -1.39 0.49 0.00 1.34 0.00 0.00 72.50 72.77 3h31 s THR 4 CO 0.18 -0.03 1.12 0.00 -0.54 0.00 0.00 174.62 175.35 3h31 n THR 6 N -0.60 0.63 -2.57 0.00 -2.24 -1.26 -4.43 114.28 103.81 3h31 n THR 6 Ca 0.16 -0.81 -0.41 0.00 -2.27 0.00 0.00 64.05 60.72 3h31 n THR 6 Cb 0.84 0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 69.82 3h31 n THR 6 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3h31 s ASP 7 N -1.01 6.21 -0.12 3.42 -1.08 -1.26 -4.84 116.67 118.00 3h31 s ASP 7 Ca 0.21 -0.38 0.18 0.00 -0.52 0.00 0.00 52.55 52.04 3h31 s ASP 7 Cb 0.12 -2.55 0.70 0.00 -1.46 0.00 0.00 42.92 39.73 3h31 s ASP 7 CO 0.17 -1.76 1.61 1.33 0.52 0.00 0.00 175.17 177.04 3h31 n VAL 8 N 6.41 1.86 0.29 1.11 0.24 -1.26 -4.60 118.33 122.38 3h31 n VAL 8 Ca 0.04 -1.24 0.14 0.00 -2.04 0.00 0.00 64.34 61.24 3h31 n VAL 8 Cb 0.49 0.11 0.66 0.00 -1.47 0.00 0.00 33.84 33.63 3h31 n VAL 8 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 3h31 h SER 9 N 3.88 0.00 -0.12 -1.34 4.64 -2.01 -1.52 113.55 117.08 3h31 h SER 9 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3h31 h SER 9 Cb 1.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.53 3h31 h SER 9 CO 0.23 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.80 3h31 n GLY 10 N -0.58 0.35 3.92 -0.77 0.00 -1.26 -4.92 105.19 101.93 3h31 n GLY 10 Ca -0.00 -0.48 -0.29 0.00 0.00 0.00 0.00 46.02 45.25 3h31 n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3h31 s LEU 11 N -1.76 4.31 0.77 0.99 1.43 -0.57 -5.09 118.68 118.75 3h31 s LEU 11 Ca 0.35 0.22 -0.12 0.00 -1.03 0.00 0.00 54.13 53.55 3h31 s LEU 11 Cb 0.19 -2.91 0.06 0.00 0.03 0.00 0.00 46.19 43.56 3h31 s LEU 11 CO 0.30 0.13 1.11 0.42 0.23 0.00 0.00 176.35 178.54 3h31 s THR 12 N -1.58 3.06 0.24 5.49 -4.23 -1.26 -4.85 115.64 112.50 3h31 s THR 12 Ca 0.34 0.38 -0.05 0.00 -1.18 0.00 0.00 61.69 61.18 3h31 s THR 12 Cb -0.12 -2.81 0.20 0.00 1.34 0.00 0.00 72.50 71.10 3h31 s THR 12 CO 0.28 -0.41 1.79 0.00 -0.54 0.00 0.00 174.62 175.74 3h31 h ALA 13 N -0.95 1.08 -0.49 3.99 0.00 -1.98 -1.33 119.26 119.58 3h31 h ALA 13 Ca -0.44 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.44 3h31 h ALA 13 Cb 1.24 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3h31 h ALA 13 CO 0.50 0.00 -0.01 0.93 0.00 0.00 0.00 179.25 180.68 3h31 h GLU 14 N 0.68 0.82 -0.56 0.00 5.08 -1.99 0.43 114.58 119.03 3h31 h GLU 14 Ca 0.38 -0.23 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 3h31 h GLU 14 Cb 0.39 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3h31 h GLU 14 CO -0.27 0.83 0.01 0.93 -1.00 0.00 0.00 179.01 179.51 3h31 h GLU 15 N 0.76 0.96 -0.61 2.33 5.08 -1.70 -2.18 114.58 119.22 3h31 h GLU 15 Ca 0.14 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.18 3h31 h GLU 15 Cb 0.48 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 3h31 h GLU 15 CO 0.02 0.94 0.22 0.82 -1.00 0.00 0.00 179.01 180.01 3h31 h ILE 16 N 0.89 1.24 -0.77 3.13 2.04 -0.85 -2.40 117.51 120.78 3h31 h ILE 16 Ca 0.16 -0.77 0.03 0.00 1.00 0.00 0.00 64.86 65.29 3h31 h ILE 16 Cb 0.51 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.14 3h31 h ILE 16 CO 0.02 0.30 0.51 1.56 0.00 0.00 0.00 178.15 180.54 3h31 h GLN 17 N 0.86 0.93 -0.29 2.37 4.20 -0.68 -0.29 115.11 122.21 3h31 h GLN 17 Ca 0.20 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.82 3h31 h GLN 17 Cb 0.24 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 3h31 h GLN 17 CO -0.01 0.61 0.03 1.98 -0.67 0.00 0.00 178.83 180.77 3h31 h MET 18 N 0.95 0.50 -0.65 1.46 4.05 -1.05 0.32 114.93 120.52 3h31 h MET 18 Ca 0.30 -0.14 0.07 0.00 -0.28 0.00 0.00 59.70 59.65 3h31 h MET 18 Cb 0.03 -0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 30.72 3h31 h MET 18 CO -0.09 0.62 0.34 -0.09 0.23 0.00 0.00 176.91 177.92 3h31 h ARG 19 N 0.31 0.60 -0.59 0.39 2.43 -0.93 -2.08 114.38 114.51 3h31 h ARG 19 Ca 0.09 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.12 3h31 h ARG 19 Cb 0.37 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 3h31 h ARG 19 CO 0.01 0.40 -0.03 0.93 -1.51 0.00 0.00 179.97 179.77 3h31 h GLU 20 N 0.62 1.05 -0.67 0.20 5.08 -0.86 -1.65 114.58 118.35 3h31 h GLU 20 Ca 0.30 -0.35 0.12 0.00 -1.00 0.00 0.00 59.36 58.43 3h31 h GLU 20 Cb 0.23 -0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.31 3h31 h GLU 20 CO -0.21 1.05 0.22 1.03 -1.00 0.00 0.00 179.01 180.10 3h31 h SER 21 N 0.95 0.16 -0.11 1.42 0.87 -0.37 -0.60 113.55 115.87 3h31 h SER 21 Ca 0.16 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.83 3h31 h SER 21 Cb 0.59 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 3h31 h SER 21 CO 0.04 0.07 0.00 0.18 -0.53 0.00 0.00 176.83 176.59 3h31 n LEU 22 N -5.05 0.94 -3.62 2.23 4.77 -0.83 -4.94 117.00 110.49 3h31 n LEU 22 Ca 0.11 -0.41 -0.23 0.00 -0.03 0.00 0.00 56.01 55.46 3h31 n LEU 22 Cb 0.36 -0.07 0.06 0.00 -2.33 0.00 0.00 43.42 41.44 3h31 n LEU 22 CO 0.18 0.20 0.13 0.00 -1.33 0.00 0.00 177.39 176.58 3h31 n GLN 23 N -0.13 -6.62 -1.72 3.23 6.02 -0.23 -0.68 117.38 117.24 3h31 n GLN 23 Ca 0.13 0.76 -0.43 0.00 -0.01 0.00 0.00 57.00 57.45 3h31 n GLN 23 Cb 0.20 -5.69 -0.02 0.00 1.02 0.00 0.00 30.24 25.75 3h31 n GLN 23 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3h31 n TYR 24 N -4.57 2.64 -3.94 1.08 9.36 -0.65 -4.52 117.16 116.55 3h31 n TYR 24 Ca -0.13 0.32 -0.10 0.00 3.32 0.00 0.00 57.90 61.31 3h31 n TYR 24 Cb 0.61 -2.55 -0.12 0.00 -0.63 0.00 0.00 39.34 36.65 3h31 n TYR 24 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 3h31 s THR 25 N -0.06 0.08 0.18 2.97 -1.32 -0.20 -4.93 115.64 112.35 3h31 s THR 25 Ca 0.65 -0.67 0.28 0.00 -1.21 0.00 0.00 61.69 60.74 3h31 s THR 25 Cb -0.54 -0.22 0.30 0.00 -1.51 0.00 0.00 72.50 70.53 3h31 s THR 25 CO 0.49 -0.37 1.93 0.44 -2.21 0.00 0.00 174.62 174.90 3h31 h ASP 26 N 4.97 0.00 -4.10 8.08 5.19 -1.90 -1.06 116.42 127.60 3h31 h ASP 26 Ca -0.30 0.00 -0.64 0.00 -0.62 0.00 0.00 57.03 55.47 3h31 h ASP 26 Cb 1.21 0.00 -0.41 0.00 0.18 0.00 0.00 39.33 40.31 3h31 h ASP 26 CO 0.43 0.13 -0.60 -1.00 -3.12 0.00 0.00 179.24 175.08 3h31 s HIS 27 N -3.75 3.28 0.27 4.55 3.76 -1.26 -2.85 115.29 119.29 3h31 s HIS 27 Ca 0.00 -3.19 -0.30 0.00 -0.15 0.00 0.00 55.06 51.42 3h31 s HIS 27 Cb 0.10 -2.82 -0.14 0.00 1.11 0.00 0.00 32.58 30.83 3h31 s HIS 27 CO 0.59 -0.70 1.21 0.45 -0.85 0.00 0.00 174.74 175.44 3h31 n SER 28 N 2.87 2.05 0.07 1.40 2.88 -0.47 -4.86 113.62 117.58 3h31 n SER 28 Ca 0.08 1.17 0.11 0.00 -1.33 0.00 0.00 58.87 58.90 3h31 n SER 28 Cb 0.33 -1.36 0.43 0.00 -0.75 0.00 0.00 64.21 62.86 3h31 n SER 28 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3h31 n PRO 29 N 1.23 0.12 -4.15 -1.46 -0.04 -1.26 -4.75 135.00 124.70 3h31 n PRO 29 Ca 0.10 0.30 -0.35 0.00 -0.04 0.00 0.00 63.50 63.52 3h31 n PRO 29 Cb 0.31 -1.71 -0.13 0.00 -0.04 0.00 0.00 33.50 31.93 3h31 n PRO 29 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3h31 s TYR 30 N -3.16 2.98 0.49 0.54 2.02 -1.26 -5.00 117.35 113.96 3h31 s TYR 30 Ca 0.07 -0.62 0.18 0.00 -0.37 0.00 0.00 57.07 56.33 3h31 s TYR 30 Cb 0.11 -2.05 1.23 0.00 -0.40 0.00 0.00 41.96 40.85 3h31 s TYR 30 CO 0.39 -0.31 2.09 -1.35 -1.57 0.00 0.00 175.55 174.80 3h31 h PRO 31 N 7.50 0.00 -0.32 -1.71 0.11 -2.02 -3.08 132.00 132.48 3h31 h PRO 31 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3h31 h PRO 31 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3h31 h PRO 31 CO 0.60 0.08 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 3h31 n ASP 32 N -4.31 2.84 -3.69 -2.05 5.75 -1.26 -4.84 116.55 109.00 3h31 n ASP 32 Ca -0.03 -1.94 -0.28 0.00 -0.01 0.00 0.00 54.79 52.53 3h31 n ASP 32 Cb 0.16 -0.21 -0.16 0.00 -1.03 0.00 0.00 41.12 39.88 3h31 n ASP 32 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3h31 s LYS 33 N -0.99 0.51 0.24 0.11 1.02 -1.16 -5.02 119.74 114.43 3h31 s LYS 33 Ca 0.23 -0.51 0.01 0.00 0.02 0.00 0.00 55.97 55.72 3h31 s LYS 33 Cb 0.12 -1.91 -0.05 0.00 -0.52 0.00 0.00 37.83 35.47 3h31 s LYS 33 CO 0.16 -0.76 0.08 0.95 -0.92 0.00 0.00 175.35 174.86 3h31 s THR 34 N 1.89 0.53 0.34 2.17 -4.23 -1.26 -4.51 115.64 110.58 3h31 s THR 34 Ca 0.03 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.57 3h31 s THR 34 Cb -0.17 -2.52 0.28 0.00 1.34 0.00 0.00 72.50 71.43 3h31 s THR 34 CO -0.16 -0.09 1.97 0.00 -0.54 0.00 0.00 174.62 175.80 3h31 h ALA 36 N 1.58 1.00 -0.24 0.00 0.00 -1.49 -1.34 119.26 118.77 3h31 h ALA 36 Ca 0.30 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.12 3h31 h ALA 36 Cb 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 3h31 h ALA 36 CO -0.09 0.00 -0.09 0.27 0.00 0.00 0.00 179.25 179.34 3h31 n ASN 37 N -3.03 2.77 -4.80 0.00 6.94 -0.44 -5.00 115.26 111.71 3h31 n ASN 37 Ca -0.02 -3.48 -0.35 0.00 -0.02 0.00 0.00 54.58 50.70 3h31 n ASN 37 Cb 0.13 -0.57 -0.07 0.00 -2.36 0.00 0.00 39.78 36.90 3h31 n ASN 37 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3h31 h GLN 39 N 4.84 0.00 -0.20 0.00 4.20 -1.14 -2.93 115.11 119.89 3h31 h GLN 39 Ca -0.52 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.19 3h31 h GLN 39 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 3h31 h GLN 39 CO 0.58 0.00 0.00 1.28 -0.67 0.00 0.00 178.83 180.02 3h31 n LEU 40 N -2.97 2.85 -4.77 1.46 4.77 -1.26 -4.95 117.00 112.13 3h31 n LEU 40 Ca -0.01 -1.11 -0.38 0.00 -0.03 0.00 0.00 56.01 54.49 3h31 n LEU 40 Cb 0.21 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 41.12 3h31 n LEU 40 CO 0.23 0.55 0.65 -0.47 -1.33 0.00 0.00 177.39 177.02 3h31 s TYR 41 N -1.76 3.78 -0.29 -1.77 5.04 -1.11 -1.12 117.35 120.11 3h31 s TYR 41 Ca 0.34 1.82 0.02 0.00 -2.44 0.00 0.00 57.07 56.81 3h31 s TYR 41 Cb 0.21 -2.94 0.07 0.00 0.35 0.00 0.00 41.96 39.65 3h31 s TYR 41 CO 0.31 0.28 -0.05 0.08 -1.34 0.00 0.00 175.55 174.83 3h31 s VAL 42 N -1.49 2.33 0.82 3.14 1.01 0.22 -4.93 120.40 121.50 3h31 s VAL 42 Ca 0.48 -1.78 -0.13 0.00 0.00 0.00 0.00 61.98 60.55 3h31 s VAL 42 Cb -0.21 -2.46 0.08 0.00 0.00 0.00 0.00 36.38 33.79 3h31 s VAL 42 CO 0.26 -0.19 1.11 -2.65 0.00 0.00 0.00 175.10 173.63 3h31 n PRO 43 N 4.42 0.11 -0.96 2.72 -0.02 -1.26 -1.21 135.00 138.79 3h31 n PRO 43 Ca -0.10 0.11 -0.29 0.00 -2.02 0.00 0.00 63.50 61.21 3h31 n PRO 43 Cb 0.42 -2.36 0.21 0.00 -0.02 0.00 0.00 33.50 31.76 3h31 n PRO 43 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3h31 s ALA 44 N -2.17 0.39 -0.69 3.55 0.00 -1.26 -4.72 121.76 116.85 3h31 s ALA 44 Ca 0.71 -0.43 0.25 0.00 0.00 0.00 0.00 51.96 52.50 3h31 s ALA 44 Cb -0.29 -3.10 0.68 0.00 0.00 0.00 0.00 23.12 20.41 3h31 s ALA 44 CO 0.53 -3.34 1.67 0.93 0.00 0.00 0.00 175.76 175.55 3h31 h GLU 45 N -2.29 0.00 -2.96 0.00 4.39 -1.87 -3.45 114.58 108.40 3h31 h GLU 45 Ca -0.55 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.03 3h31 h GLU 45 Cb 1.33 0.00 -0.21 0.00 -0.10 0.00 0.00 28.75 29.77 3h31 h GLU 45 CO 0.52 0.00 -0.25 -1.12 -1.16 0.00 0.00 179.01 176.99 3h31 s SER 46 N -4.61 -0.24 0.00 1.42 0.01 -1.26 -5.02 113.70 103.99 3h31 s SER 46 Ca 0.09 0.21 0.10 0.00 1.31 0.00 0.00 55.95 57.66 3h31 s SER 46 Cb 0.12 0.38 0.50 0.00 0.21 0.00 0.00 66.02 67.23 3h31 s SER 46 CO 0.63 -0.41 1.20 -0.81 0.41 0.00 0.00 173.24 174.26 3h31 n PRO 47 N 1.49 0.14 -0.30 12.44 -0.04 -1.26 -2.07 135.00 145.39 3h31 n PRO 47 Ca -0.20 0.19 0.11 0.00 -0.04 0.00 0.00 63.50 63.56 3h31 n PRO 47 Cb 0.56 -1.50 0.28 0.00 -0.04 0.00 0.00 33.50 32.80 3h31 n PRO 47 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3h31 n ASP 48 N -1.28 3.44 -4.32 3.54 9.92 -1.26 -4.91 116.55 121.67 3h31 n ASP 48 Ca 0.05 -1.99 -0.18 0.00 -0.53 0.00 0.00 54.79 52.13 3h31 n ASP 48 Cb 0.08 -0.40 -0.10 0.00 -0.64 0.00 0.00 41.12 40.06 3h31 n ASP 48 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 3h31 s GLN 49 N -1.20 1.25 0.48 -1.24 -0.21 -0.88 -4.95 119.66 112.91 3h31 s GLN 49 Ca 0.43 -1.50 -0.21 0.00 0.02 0.00 0.00 55.36 54.10 3h31 s GLN 49 Cb 0.23 -1.07 -0.08 0.00 1.00 0.00 0.00 33.01 33.08 3h31 s GLN 49 CO 0.30 0.19 1.07 0.00 -2.12 0.00 0.00 175.29 174.72 3h31 n GLY 51 N -0.01 -0.11 3.39 0.00 0.00 0.43 -4.48 105.19 104.40 3h31 n GLY 51 Ca 0.09 -1.74 -0.18 0.00 0.00 0.00 0.00 46.02 44.19 3h31 n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3h31 s GLY 52 N -1.13 2.03 -0.03 -0.02 0.00 -0.35 -1.48 107.32 106.35 3h31 s GLY 52 Ca 0.00 -1.86 -0.04 0.00 0.00 0.00 0.00 44.72 42.82 3h31 s GLY 52 CO 0.00 -1.26 0.10 0.00 0.00 0.00 0.00 173.10 171.93 3h31 n GLN 54 N 2.58 0.13 -0.13 0.00 6.02 -0.28 -4.13 117.38 121.58 3h31 n GLN 54 Ca -0.15 -0.02 -0.26 0.00 -0.01 0.00 0.00 57.00 56.56 3h31 n GLN 54 Cb 0.58 -1.50 -0.09 0.00 1.02 0.00 0.00 30.24 30.25 3h31 n GLN 54 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3h31 n LEU 55 N -1.42 1.88 -4.79 1.08 7.94 -1.26 -4.99 117.00 115.44 3h31 n LEU 55 Ca 0.09 0.33 -0.36 0.00 -1.11 0.00 0.00 56.01 54.95 3h31 n LEU 55 Cb 0.32 -0.78 -0.07 0.00 0.53 0.00 0.00 43.42 43.42 3h31 n LEU 55 CO 0.27 0.45 -0.18 -0.63 -1.11 0.00 0.00 177.39 176.19 3h31 s ILE 56 N -2.54 5.45 0.57 1.96 1.01 -1.26 -5.06 121.20 121.33 3h31 s ILE 56 Ca -0.36 0.20 -0.06 0.00 0.00 0.00 0.00 60.65 60.43 3h31 s ILE 56 Cb 0.13 -3.44 -0.00 0.00 0.01 0.00 0.00 42.46 39.16 3h31 s ILE 56 CO 0.46 0.52 0.88 -0.54 0.00 0.00 0.00 174.94 176.25 3h31 s LYS 57 N -0.23 3.06 0.17 2.79 -0.14 -1.26 -4.03 119.74 120.10 3h31 s LYS 57 Ca 0.11 0.04 0.00 0.00 -1.36 0.00 0.00 55.97 54.76 3h31 s LYS 57 Cb -0.11 -2.29 0.00 0.00 -1.68 0.00 0.00 37.83 33.74 3h31 s LYS 57 CO 0.01 -0.59 0.00 0.41 -0.76 0.00 0.00 175.35 174.42 3h31 n GLY 58 N -2.51 -2.81 3.77 -3.33 0.00 -1.26 -4.95 105.19 94.10 3h31 n GLY 58 Ca 0.04 -1.87 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 3h31 n GLY 58 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3h31 s PRO 59 N -0.55 3.93 -0.04 1.61 0.04 -1.26 -4.59 135.00 134.15 3h31 s PRO 59 Ca 0.00 1.78 -0.00 0.00 0.04 0.00 0.00 61.00 62.82 3h31 s PRO 59 Cb 0.00 -2.54 0.03 0.00 0.04 0.00 0.00 34.50 32.03 3h31 s PRO 59 CO 0.00 -0.41 0.02 0.42 0.04 0.00 0.00 177.00 177.07 3h31 s ILE 60 N -1.50 0.13 0.08 0.56 -1.09 -0.55 -4.74 121.20 114.09 3h31 s ILE 60 Ca 0.60 0.17 -0.23 0.00 -2.23 0.00 0.00 60.65 58.96 3h31 s ILE 60 Cb -0.29 -0.27 -0.07 0.00 -1.58 0.00 0.00 42.46 40.26 3h31 s ILE 60 CO 0.36 0.16 0.70 -2.28 -1.23 0.00 0.00 174.94 172.65 3h31 s HIS 61 N 1.41 3.80 0.56 3.97 2.46 -1.26 -0.43 115.29 125.79 3h31 s HIS 61 Ca -0.04 1.44 0.29 0.00 0.47 0.00 0.00 55.06 57.22 3h31 s HIS 61 Cb -0.13 -2.69 1.76 0.00 -0.13 0.00 0.00 32.58 31.39 3h31 s HIS 61 CO -0.03 0.44 2.22 -1.00 -2.47 0.00 0.00 174.74 173.91 3h31 h PRO 62 N 4.96 0.00 -0.12 2.88 0.13 -1.94 -0.04 132.00 137.86 3h31 h PRO 62 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 3h31 h PRO 62 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3h31 h PRO 62 CO 0.67 0.02 0.00 0.09 -0.23 0.00 0.00 178.00 178.56 3h31 n ASN 63 N -3.80 1.27 -2.06 1.44 3.02 -1.26 -1.34 115.26 112.54 3h31 n ASN 63 Ca -0.03 -1.63 -0.01 0.00 -0.03 0.00 0.00 54.58 52.89 3h31 n ASN 63 Cb 0.11 -0.08 0.01 0.00 -0.61 0.00 0.00 39.78 39.21 3h31 n ASN 63 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3h31 n GLY 64 N 1.06 -0.57 3.53 7.41 0.00 -0.03 -1.36 105.19 115.22 3h31 n GLY 64 Ca 0.16 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.29 3h31 n GLY 64 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3h31 s TYR 65 N -0.72 -0.47 0.14 1.61 5.04 -0.40 -0.70 117.35 121.86 3h31 s TYR 65 Ca 0.02 0.70 -0.03 0.00 -2.44 0.00 0.00 57.07 55.32 3h31 s TYR 65 Cb -0.00 0.46 -0.03 0.00 0.35 0.00 0.00 41.96 42.74 3h31 s TYR 65 CO 0.01 -0.51 0.11 0.00 -1.34 0.00 0.00 175.55 173.83 3h31 n THR 67 N -0.13 0.77 1.15 0.00 -2.24 0.14 -1.88 114.28 112.09 3h31 n THR 67 Ca -0.05 0.19 0.08 0.00 -2.27 0.00 0.00 64.05 62.01 3h31 n THR 67 Cb 0.64 -0.90 0.30 0.00 -2.10 0.00 0.00 70.33 68.26 3h31 n THR 67 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3h31 n SER 68 N -1.45 1.64 -4.21 3.42 7.64 -1.26 -4.97 113.62 114.42 3h31 n SER 68 Ca 0.05 -1.81 -0.57 0.00 1.01 0.00 0.00 58.87 57.56 3h31 n SER 68 Cb 0.18 -0.15 -0.08 0.00 -1.01 0.00 0.00 64.21 63.16 3h31 n SER 68 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 3h31 n TRP 69 N 0.33 0.84 -4.09 1.43 -0.00 -0.79 -4.92 117.44 110.25 3h31 n TRP 69 Ca 0.14 1.00 -0.34 0.00 -0.00 0.00 0.00 57.50 58.30 3h31 n TRP 69 Cb 0.30 -1.96 -0.15 0.00 -0.00 0.00 0.00 31.31 29.50 3h31 n TRP 69 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 177.69 177.77 3h31 s VAL 70 N 0.66 2.85 0.27 5.87 1.01 -1.26 -5.04 120.40 124.77 3h31 s VAL 70 Ca 0.87 -0.68 -0.30 0.00 0.00 0.00 0.00 61.98 61.88 3h31 s VAL 70 Cb -1.22 -2.26 -0.10 0.00 0.00 0.00 0.00 36.38 32.80 3h31 s VAL 70 CO 0.58 0.48 1.45 -1.58 0.00 0.00 0.00 175.10 176.03 3h31 s GLN 71 N 1.28 4.24 0.32 2.72 0.74 -1.26 -0.61 119.66 127.10 3h31 s GLN 71 Ca 0.03 2.35 -0.27 0.00 0.05 0.00 0.00 55.36 57.52 3h31 s GLN 71 Cb -0.14 -3.08 -0.09 0.00 1.10 0.00 0.00 33.01 30.79 3h31 s GLN 71 CO -0.06 -0.43 1.04 0.15 -0.55 0.00 0.00 175.29 175.44 3h31 s LYS 72 N -0.68 4.50 0.76 1.67 1.02 -1.26 -4.69 119.74 121.06 3h31 s LYS 72 Ca 0.58 1.61 -0.14 0.00 0.02 0.00 0.00 55.97 58.04 3h31 s LYS 72 Cb -0.43 -2.93 0.05 0.00 -0.52 0.00 0.00 37.83 34.00 3h31 s LYS 72 CO 0.46 0.14 1.20 0.00 -0.92 0.00 0.00 175.35 176.23 3h31 s ALA 73 N -1.39 2.03 0.00 5.17 0.00 -1.26 -5.06 121.76 121.24 3h31 s ALA 73 Ca 0.49 0.85 0.00 0.00 0.00 0.00 0.00 51.96 53.30 3h31 s ALA 73 Cb -0.26 -3.47 0.00 0.00 0.00 0.00 0.00 23.12 19.39 3h31 s ALA 73 CO 0.33 -2.01 0.00 -2.37 0.00 0.00 0.00 175.76 171.71