#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sh4 s VAL 4 N 0.00 2.16 -0.03 0.00 -7.23 -1.26 -5.00 120.40 109.05 1sh4 s VAL 4 Ca 0.00 0.05 -0.17 0.00 -1.81 0.00 0.00 61.98 60.05 1sh4 s VAL 4 Cb 0.00 -2.16 -0.09 0.00 0.56 0.00 0.00 36.38 34.69 1sh4 s VAL 4 CO 0.00 -0.07 0.71 0.50 -0.31 0.00 0.00 175.10 175.93 1sh4 h LYS 5 N -2.11 -0.59 0.00 4.82 3.64 -1.96 -3.51 116.57 116.86 1sh4 h LYS 5 Ca -0.51 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1sh4 h LYS 5 Cb 1.29 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.25 1sh4 h LYS 5 CO 0.47 -0.39 0.00 0.66 -2.27 0.00 0.00 179.45 177.92 1sh4 n TYR 6 N -5.12 0.00 -3.62 1.91 4.01 -1.26 -5.02 117.16 108.07 1sh4 n TYR 6 Ca -0.08 0.00 -0.27 0.00 -0.16 0.00 0.00 57.90 57.40 1sh4 n TYR 6 Cb 0.24 -0.05 -0.17 0.00 -0.31 0.00 0.00 39.34 39.05 1sh4 n TYR 6 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 1sh4 s TYR 7 N -2.67 0.32 0.45 -0.72 1.51 0.06 -4.88 117.35 111.42 1sh4 s TYR 7 Ca 0.00 -0.46 -0.23 0.00 -1.01 0.00 0.00 57.07 55.37 1sh4 s TYR 7 Cb 0.00 -0.76 -0.10 0.00 -0.11 0.00 0.00 41.96 40.99 1sh4 s TYR 7 CO 0.00 -0.56 0.99 0.25 -1.11 0.00 0.00 175.55 175.12 1sh4 n THR 8 N 5.25 2.60 0.00 -0.71 -2.24 -1.26 -3.50 114.28 114.42 1sh4 n THR 8 Ca -0.07 -0.50 0.23 0.00 -2.27 0.00 0.00 64.05 61.44 1sh4 n THR 8 Cb 0.48 -1.15 0.72 0.00 -2.10 0.00 0.00 70.33 68.28 1sh4 n THR 8 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1sh4 h LEU 9 N 1.36 0.00 -0.60 3.22 5.85 -1.96 0.66 115.31 123.83 1sh4 h LEU 9 Ca -0.45 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.38 1sh4 h LEU 9 Cb 1.34 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.29 1sh4 h LEU 9 CO 0.56 0.00 0.14 -0.08 -0.34 0.00 0.00 178.44 178.72 1sh4 h GLU 10 N 0.00 0.27 0.59 1.25 4.81 -1.96 0.46 114.58 120.00 1sh4 h GLU 10 Ca 0.27 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.45 1sh4 h GLU 10 Cb 1.30 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 30.63 1sh4 h GLU 10 CO -0.00 0.18 -0.28 1.49 -0.73 0.00 0.00 179.01 179.66 1sh4 h GLU 11 N 0.27 -0.77 -0.99 1.92 4.57 -0.10 -3.28 114.58 116.19 1sh4 h GLU 11 Ca 0.31 0.05 0.22 0.00 -1.18 0.00 0.00 59.36 58.77 1sh4 h GLU 11 Cb 0.46 0.17 -0.12 0.00 -0.16 0.00 0.00 28.75 29.11 1sh4 h GLU 11 CO -0.39 -0.47 0.59 0.82 -1.18 0.00 0.00 179.01 178.38 1sh4 h ILE 12 N -1.13 0.60 -0.47 2.32 2.04 -0.72 0.24 117.51 120.39 1sh4 h ILE 12 Ca -0.08 -0.22 0.09 0.00 1.00 0.00 0.00 64.86 65.64 1sh4 h ILE 12 Cb 0.65 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.61 1sh4 h ILE 12 CO 0.13 0.12 0.32 1.56 0.00 0.00 0.00 178.15 180.28 1sh4 h GLN 13 N 0.64 0.26 0.00 2.37 1.08 -0.01 -1.10 115.11 118.35 1sh4 h GLN 13 Ca 0.61 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.80 1sh4 h GLN 13 Cb 1.08 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 1sh4 h GLN 13 CO -0.44 0.17 0.00 1.63 -0.95 0.00 0.00 178.83 179.24 1sh4 n LYS 14 N -4.46 0.29 -3.80 1.46 5.02 0.83 -4.51 118.16 112.99 1sh4 n LYS 14 Ca 0.07 0.07 -0.30 0.00 -2.02 0.00 0.00 58.31 56.14 1sh4 n LYS 14 Cb 0.35 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.73 1sh4 n LYS 14 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1sh4 s HIS 15 N -2.62 2.45 0.00 2.13 3.76 -0.42 -4.92 115.29 115.68 1sh4 s HIS 15 Ca 0.21 -2.72 0.00 0.00 -0.15 0.00 0.00 55.06 52.39 1sh4 s HIS 15 Cb 0.16 -2.24 0.00 0.00 1.11 0.00 0.00 32.58 31.61 1sh4 s HIS 15 CO 0.36 -0.76 0.75 0.27 -0.85 0.00 0.00 174.74 174.51 1sh4 n ASN 16 N 3.32 0.00 -0.76 1.40 0.23 -0.23 -0.52 115.26 118.70 1sh4 n ASN 16 Ca 0.08 -1.56 0.00 0.00 -0.53 0.00 0.00 54.58 52.56 1sh4 n ASN 16 Cb 0.34 -0.11 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 1sh4 n ASN 16 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1sh4 n ASN 17 N 0.00 0.00 -0.50 0.53 3.02 -0.93 -4.82 115.26 112.56 1sh4 n ASN 17 Ca 0.00 -0.76 0.41 0.00 -0.03 0.00 0.00 54.58 54.20 1sh4 n ASN 17 Cb 0.61 0.00 0.70 0.00 -0.61 0.00 0.00 39.78 40.48 1sh4 n ASN 17 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 1sh4 h SER 18 N 0.00 0.17 -0.75 6.41 0.02 -2.00 0.36 113.55 117.76 1sh4 h SER 18 Ca 0.00 0.11 0.13 0.00 -0.84 0.00 0.00 61.79 61.19 1sh4 h SER 18 Cb 0.00 0.11 -0.13 0.00 0.14 0.00 0.00 62.40 62.52 1sh4 h SER 18 CO 0.00 -0.16 -0.26 1.17 -1.14 0.00 0.00 176.83 176.43 1sh4 n LYS 19 N -4.54 -0.15 0.00 3.45 3.00 -1.26 -4.83 118.16 113.84 1sh4 n LYS 19 Ca 0.39 1.16 0.00 0.00 -0.00 0.00 0.00 58.31 59.86 1sh4 n LYS 19 Cb 1.59 -1.72 0.00 0.00 0.00 0.00 0.00 35.03 34.90 1sh4 n LYS 19 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.40 176.27 1sh4 n SER 20 N -5.14 0.00 -4.16 3.14 3.41 0.13 -5.05 113.62 105.94 1sh4 n SER 20 Ca 0.09 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.31 1sh4 n SER 20 Cb 0.32 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.17 1sh4 n SER 20 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1sh4 s THR 21 N -0.08 3.75 0.46 6.66 2.01 -1.15 -1.07 115.64 126.22 1sh4 s THR 21 Ca 0.00 -1.99 -0.04 0.00 0.31 0.00 0.00 61.69 59.98 1sh4 s THR 21 Cb 0.00 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 1sh4 s THR 21 CO 0.00 -0.74 0.74 0.26 -0.69 0.00 0.00 174.62 174.18 1sh4 s TRP 22 N 1.17 3.50 0.26 4.92 0.52 0.32 -0.97 118.94 128.66 1sh4 s TRP 22 Ca 0.08 0.66 -0.19 0.00 0.02 0.00 0.00 56.10 56.67 1sh4 s TRP 22 Cb -0.24 -2.26 0.02 0.00 -1.15 0.00 0.00 33.47 29.84 1sh4 s TRP 22 CO -0.03 -0.25 0.64 -0.48 0.02 0.00 0.00 176.95 176.85 1sh4 s LEU 23 N -4.66 -0.09 -0.16 2.99 2.34 1.65 -0.00 118.68 120.74 1sh4 s LEU 23 Ca 0.46 -0.66 0.02 0.00 0.06 0.00 0.00 54.13 54.01 1sh4 s LEU 23 Cb -0.10 2.42 0.01 0.00 -0.56 0.00 0.00 46.19 47.97 1sh4 s LEU 23 CO 0.43 -1.26 -0.21 -0.63 -1.06 0.00 0.00 176.35 173.63 1sh4 s ILE 24 N -3.94 2.10 -0.27 1.48 1.01 -1.08 -0.35 121.20 120.17 1sh4 s ILE 24 Ca 0.13 -0.95 -0.00 0.00 0.00 0.00 0.00 60.65 59.84 1sh4 s ILE 24 Cb -0.04 -1.86 0.04 0.00 0.01 0.00 0.00 42.46 40.61 1sh4 s ILE 24 CO 0.06 0.54 -0.06 -0.76 0.00 0.00 0.00 174.94 174.72 1sh4 s LEU 25 N 1.05 3.47 -1.17 2.97 1.43 -0.02 -0.40 118.68 126.01 1sh4 s LEU 25 Ca -0.01 -1.15 -0.00 0.00 -1.03 0.00 0.00 54.13 51.94 1sh4 s LEU 25 Cb -0.14 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.44 1sh4 s LEU 25 CO -0.07 -0.19 0.98 1.41 0.23 0.00 0.00 176.35 178.71 1sh4 n HIS 26 N 4.59 -2.14 0.00 0.29 8.25 -1.26 -1.66 115.22 123.29 1sh4 n HIS 26 Ca -0.15 0.92 0.00 0.00 -0.26 0.00 0.00 57.72 58.23 1sh4 n HIS 26 Cb 0.44 -5.02 0.00 0.00 1.12 0.00 0.00 29.99 26.54 1sh4 n HIS 26 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1sh4 n TYR 27 N -4.06 0.00 -2.71 4.41 4.01 -1.26 -4.99 117.16 112.57 1sh4 n TYR 27 Ca -0.28 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.07 1sh4 n TYR 27 Cb 0.67 -0.24 -0.06 0.00 -0.31 0.00 0.00 39.34 39.39 1sh4 n TYR 27 CO 0.00 0.00 0.00 0.15 -0.46 0.00 0.00 176.86 176.55 1sh4 s LYS 28 N 0.00 4.66 0.01 -0.72 -0.14 -0.66 -0.67 119.74 122.22 1sh4 s LYS 28 Ca 0.00 1.47 -0.11 0.00 -1.36 0.00 0.00 55.97 55.97 1sh4 s LYS 28 Cb 0.00 -3.01 -0.05 0.00 -1.68 0.00 0.00 37.83 33.08 1sh4 s LYS 28 CO 0.00 0.32 0.35 0.08 -0.76 0.00 0.00 175.35 175.35 1sh4 s VAL 29 N -1.39 5.15 -0.16 3.17 1.01 0.58 -0.84 120.40 127.92 1sh4 s VAL 29 Ca 0.47 0.54 -0.02 0.00 0.00 0.00 0.00 61.98 62.97 1sh4 s VAL 29 Cb -0.24 -3.63 0.05 0.00 0.00 0.00 0.00 36.38 32.56 1sh4 s VAL 29 CO 0.30 0.46 0.02 -0.31 0.00 0.00 0.00 175.10 175.56 1sh4 s TYR 30 N -1.21 1.01 -0.35 5.22 1.51 0.53 -0.79 117.35 123.28 1sh4 s TYR 30 Ca 0.26 -0.70 -0.10 0.00 -1.01 0.00 0.00 57.07 55.52 1sh4 s TYR 30 Cb -0.15 -1.00 0.02 0.00 -0.11 0.00 0.00 41.96 40.72 1sh4 s TYR 30 CO 0.14 -0.54 0.17 0.34 -1.11 0.00 0.00 175.55 174.55 1sh4 s ASP 31 N 1.86 5.58 0.00 2.29 -1.08 0.26 -0.94 116.67 124.64 1sh4 s ASP 31 Ca 0.01 -0.87 0.00 0.00 -0.52 0.00 0.00 52.55 51.17 1sh4 s ASP 31 Cb -0.16 -1.99 0.00 0.00 -1.46 0.00 0.00 42.92 39.32 1sh4 s ASP 31 CO -0.07 -0.31 0.00 0.18 0.52 0.00 0.00 175.17 175.48 1sh4 n LEU 32 N 4.96 0.00 0.00 -1.34 4.77 -0.14 -4.76 117.00 120.49 1sh4 n LEU 32 Ca -0.13 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 1sh4 n LEU 32 Cb 0.47 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.56 1sh4 n LEU 32 CO 0.35 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.82 1sh4 n THR 33 N -1.26 0.00 -0.08 -5.08 -1.04 -1.26 -3.57 114.28 101.99 1sh4 n THR 33 Ca 0.00 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.88 1sh4 n THR 33 Cb 0.00 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 68.37 1sh4 n THR 33 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 1sh4 n LYS 34 N 0.00 0.68 -0.08 -2.82 5.02 -1.26 -4.35 118.16 115.34 1sh4 n LYS 34 Ca 0.00 0.11 0.13 0.00 -2.02 0.00 0.00 58.31 56.53 1sh4 n LYS 34 Cb 0.00 -1.58 0.52 0.00 -0.02 0.00 0.00 35.03 33.94 1sh4 n LYS 34 CO 0.00 0.00 0.00 0.35 -0.52 0.00 0.00 177.40 177.23 1sh4 h PHE 35 N 0.01 0.40 -0.58 2.13 3.57 -1.95 0.14 116.94 120.66 1sh4 h PHE 35 Ca -0.50 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.09 1sh4 h PHE 35 Cb 2.10 -0.13 -0.09 0.00 2.79 0.00 0.00 35.95 40.62 1sh4 h PHE 35 CO 0.02 0.19 -0.25 1.28 -2.23 0.00 0.00 178.31 177.32 1sh4 n LEU 36 N -4.47 -0.42 -0.13 0.59 4.77 -1.26 -0.30 117.00 115.78 1sh4 n LEU 36 Ca 0.10 1.02 0.11 0.00 -0.03 0.00 0.00 56.01 57.21 1sh4 n LEU 36 Cb 0.40 -0.22 0.46 0.00 -2.33 0.00 0.00 43.42 41.73 1sh4 n LEU 36 CO 0.34 -0.90 1.20 -0.33 -1.33 0.00 0.00 177.39 176.37 1sh4 h GLU 37 N 0.00 0.50 0.04 3.23 5.08 -0.97 -3.22 114.58 119.23 1sh4 h GLU 37 Ca 0.18 -0.03 -0.37 0.00 -1.00 0.00 0.00 59.36 58.14 1sh4 h GLU 37 Cb 0.33 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.42 1sh4 h GLU 37 CO -0.57 0.33 -2.14 -1.91 -1.00 0.00 0.00 179.01 173.72 1sh4 n GLU 38 N -4.48 0.65 -1.54 2.33 4.07 0.59 -5.00 120.64 117.26 1sh4 n GLU 38 Ca 0.11 0.28 -0.53 0.00 -0.06 0.00 0.00 57.16 56.97 1sh4 n GLU 38 Cb 0.37 -1.61 -0.07 0.00 -0.06 0.00 0.00 31.44 30.07 1sh4 n GLU 38 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1sh4 n HIS 39 N -3.76 1.79 0.29 4.31 -0.00 0.34 -4.87 115.22 113.33 1sh4 n HIS 39 Ca -0.41 0.35 0.16 0.00 0.46 0.00 0.00 57.72 58.28 1sh4 n HIS 39 Cb 0.93 -2.51 0.85 0.00 -0.12 0.00 0.00 29.99 29.13 1sh4 n HIS 39 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1sh4 h PRO 40 N 10.28 0.00 -0.06 1.57 0.13 -1.91 0.62 132.00 142.63 1sh4 h PRO 40 Ca -0.34 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.81 1sh4 h PRO 40 Cb 1.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.45 1sh4 h PRO 40 CO 1.00 0.06 0.05 0.78 -0.23 0.00 0.00 178.00 179.66 1sh4 h GLY 41 N 0.85 0.00 0.00 1.56 0.00 -1.97 -3.49 103.07 100.02 1sh4 h GLY 41 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1sh4 h GLY 41 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 1sh4 n GLY 42 N -1.46 2.39 0.07 4.60 0.00 0.21 -4.45 105.19 106.55 1sh4 n GLY 42 Ca -0.02 -2.09 -0.11 0.00 0.00 0.00 0.00 46.02 43.80 1sh4 n GLY 42 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1sh4 h GLU 43 N 0.00 -0.01 -0.83 1.61 5.08 -1.79 -3.35 114.58 115.29 1sh4 h GLU 43 Ca 0.00 0.00 0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1sh4 h GLU 43 Cb 0.00 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.20 1sh4 h GLU 43 CO 0.00 0.75 0.54 1.05 -1.00 0.00 0.00 179.01 180.35 1sh4 h GLU 44 N -0.96 0.81 0.00 2.33 9.09 -1.93 0.23 114.58 124.15 1sh4 h GLU 44 Ca -0.00 -0.05 -0.01 0.00 0.05 0.00 0.00 59.36 59.35 1sh4 h GLU 44 Cb 0.77 -0.18 -0.00 0.00 -1.65 0.00 0.00 28.75 27.68 1sh4 h GLU 44 CO 0.00 0.54 -0.03 1.25 0.05 0.00 0.00 179.01 180.82 1sh4 h HIS 45 N 0.84 0.00 0.07 2.06 2.76 -1.78 0.40 115.15 119.49 1sh4 h HIS 45 Ca 0.38 0.00 -0.35 0.00 -2.20 0.00 0.00 60.37 58.19 1sh4 h HIS 45 Cb 0.36 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.28 1sh4 h HIS 45 CO -0.00 0.03 -2.02 1.28 -1.30 0.00 0.00 177.93 175.92 1sh4 n LEU 46 N -3.29 2.10 0.00 0.26 4.77 0.18 -4.41 117.00 116.61 1sh4 n LEU 46 Ca -0.02 0.20 -0.18 0.00 -0.03 0.00 0.00 56.01 55.98 1sh4 n LEU 46 Cb 0.17 -0.68 -0.10 0.00 -2.33 0.00 0.00 43.42 40.48 1sh4 n LEU 46 CO 0.25 0.73 0.24 -0.09 -1.33 0.00 0.00 177.39 177.19 1sh4 h ARG 47 N 0.04 0.59 -0.82 3.23 1.12 0.55 0.23 114.38 119.32 1sh4 h ARG 47 Ca -0.42 -0.56 0.17 0.00 -1.11 0.00 0.00 59.98 58.06 1sh4 h ARG 47 Cb 2.03 0.14 -0.15 0.00 -0.01 0.00 0.00 29.97 31.97 1sh4 h ARG 47 CO 0.06 1.18 -0.17 1.49 -3.11 0.00 0.00 179.97 179.42 1sh4 h GLU 48 N 0.20 0.01 -0.03 0.20 4.22 -0.51 -1.53 114.58 117.14 1sh4 h GLU 48 Ca -0.08 -0.00 -0.24 0.00 0.08 0.00 0.00 59.36 59.12 1sh4 h GLU 48 Cb 1.39 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.65 1sh4 h GLU 48 CO 0.15 0.01 -0.95 1.96 -2.18 0.00 0.00 179.01 178.00 1sh4 h GLN 49 N 0.01 0.58 -6.52 1.92 1.08 -1.71 -3.48 115.11 106.99 1sh4 h GLN 49 Ca 0.40 -0.59 -0.58 0.00 -1.45 0.00 0.00 58.65 56.43 1sh4 h GLN 49 Cb 0.64 0.16 0.17 0.00 -0.05 0.00 0.00 27.48 28.40 1sh4 h GLN 49 CO -0.82 1.21 -0.38 0.00 -0.95 0.00 0.00 178.83 177.88 1sh4 n ALA 50 N -2.59 -1.11 0.00 3.87 0.00 0.77 -3.90 120.51 117.56 1sh4 n ALA 50 Ca -0.08 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.33 1sh4 n ALA 50 Cb 0.83 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.45 1sh4 n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1sh4 n GLY 51 N 1.77 0.81 0.00 0.00 0.00 1.00 -4.75 105.19 104.01 1sh4 n GLY 51 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 1sh4 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sh4 n GLY 52 N -1.51 4.13 1.83 -0.02 0.00 -1.25 -3.08 105.19 105.28 1sh4 n GLY 52 Ca 0.00 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.97 1sh4 n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1sh4 n ASP 53 N 0.00 -6.70 -1.02 1.61 2.03 -1.25 -4.67 116.55 106.55 1sh4 n ASP 53 Ca 0.00 1.15 0.02 0.00 0.52 0.00 0.00 54.79 56.48 1sh4 n ASP 53 Cb 0.00 -3.61 0.01 0.00 -0.72 0.00 0.00 41.12 36.80 1sh4 n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sh4 n ALA 54 N 1.13 2.25 -0.02 -1.67 0.00 0.46 -4.65 120.51 118.01 1sh4 n ALA 54 Ca 0.00 -1.63 -0.13 0.00 0.00 0.00 0.00 53.44 51.68 1sh4 n ALA 54 Cb 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 19.45 18.75 1sh4 n ALA 54 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 1sh4 h THR 55 N 6.85 1.43 0.30 0.00 2.02 -1.77 0.15 112.91 121.88 1sh4 h THR 55 Ca -0.14 -1.31 -0.00 0.00 0.77 0.00 0.00 66.41 65.73 1sh4 h THR 55 Cb 1.64 2.31 -0.02 0.00 -1.74 0.00 0.00 68.15 70.34 1sh4 h THR 55 CO 0.04 0.34 -0.28 -0.08 0.37 0.00 0.00 175.52 175.91 1sh4 h GLU 56 N -0.57 -0.58 -0.65 6.66 4.81 -1.92 0.14 114.58 122.47 1sh4 h GLU 56 Ca -0.00 0.04 0.11 0.00 -0.13 0.00 0.00 59.36 59.38 1sh4 h GLU 56 Cb 0.56 0.13 -0.08 0.00 0.63 0.00 0.00 28.75 29.99 1sh4 h GLU 56 CO 0.00 -0.39 0.25 -0.97 -0.73 0.00 0.00 179.01 177.17 1sh4 h ASN 57 N -0.60 0.24 0.47 1.04 -0.73 -1.92 0.17 115.58 114.25 1sh4 h ASN 57 Ca -0.01 0.09 -0.02 0.00 1.87 0.00 0.00 56.30 58.22 1sh4 h ASN 57 Cb 0.54 0.07 0.00 0.00 0.27 0.00 0.00 38.32 39.20 1sh4 h ASN 57 CO -0.05 0.13 -0.23 0.15 -0.37 0.00 0.00 177.43 177.07 1sh4 h PHE 58 N 0.43 -0.59 -0.43 0.67 3.57 -0.51 -3.29 116.94 116.79 1sh4 h PHE 58 Ca 0.34 -0.01 -0.08 0.00 3.53 0.00 0.00 57.97 61.74 1sh4 h PHE 58 Cb 0.44 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.36 1sh4 h PHE 58 CO -0.17 -0.26 -0.08 1.49 -2.23 0.00 0.00 178.31 177.06 1sh4 h GLU 59 N -0.96 0.74 -0.22 1.11 4.57 -0.43 -0.25 114.58 119.14 1sh4 h GLU 59 Ca -0.06 -0.22 0.04 0.00 -1.18 0.00 0.00 59.36 57.93 1sh4 h GLU 59 Cb 0.59 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.03 1sh4 h GLU 59 CO 0.11 0.80 -0.52 0.22 -1.18 0.00 0.00 179.01 178.44 1sh4 h ASP 60 N 0.68 -1.67 -1.23 1.04 3.58 -1.11 0.17 116.42 117.88 1sh4 h ASP 60 Ca 0.12 0.21 -0.56 0.00 0.42 0.00 0.00 57.03 57.22 1sh4 h ASP 60 Cb 0.53 0.67 -0.20 0.00 1.72 0.00 0.00 39.33 42.04 1sh4 h ASP 60 CO 0.03 -0.45 0.61 0.52 -2.88 0.00 0.00 179.24 177.07 1sh4 n VAL 61 N -5.42 3.35 -1.52 2.25 0.31 -1.05 -4.97 118.33 111.27 1sh4 n VAL 61 Ca -0.05 -3.16 -0.14 0.00 -0.01 0.00 0.00 64.34 60.98 1sh4 n VAL 61 Cb 0.37 -1.44 -0.11 0.00 -0.91 0.00 0.00 33.84 31.75 1sh4 n VAL 61 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1sh4 n GLY 62 N 0.30 -0.26 3.50 2.92 0.00 0.61 -4.82 105.19 107.44 1sh4 n GLY 62 Ca 0.49 0.20 -0.16 0.00 0.00 0.00 0.00 46.02 46.55 1sh4 n GLY 62 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1sh4 s HIS 63 N 11.56 -0.62 0.00 1.61 3.76 -1.25 -4.94 115.29 125.41 1sh4 s HIS 63 Ca 0.95 1.23 0.00 0.00 -0.15 0.00 0.00 55.06 57.09 1sh4 s HIS 63 Cb -0.26 0.32 0.00 0.00 1.11 0.00 0.00 32.58 33.75 1sh4 s HIS 63 CO 0.19 -0.49 0.00 0.43 -0.85 0.00 0.00 174.74 174.02 1sh4 n SER 64 N 1.57 0.00 -0.35 1.40 7.64 -1.26 0.46 113.62 123.08 1sh4 n SER 64 Ca -0.18 0.00 0.03 0.00 1.01 0.00 0.00 58.87 59.74 1sh4 n SER 64 Cb 0.56 -0.24 0.10 0.00 -1.01 0.00 0.00 64.21 63.62 1sh4 n SER 64 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1sh4 n THR 65 N -0.21 -0.44 -0.19 0.44 -2.24 -1.26 -0.30 114.28 110.07 1sh4 n THR 65 Ca 0.00 2.22 -0.02 0.00 -2.27 0.00 0.00 64.05 63.97 1sh4 n THR 65 Cb 0.00 -3.01 -0.00 0.00 -2.10 0.00 0.00 70.33 65.21 1sh4 n THR 65 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1sh4 n ASP 66 N -5.50 -0.39 -0.07 3.42 2.03 -1.26 -0.22 116.55 114.57 1sh4 n ASP 66 Ca 0.13 0.85 -0.13 0.00 0.52 0.00 0.00 54.79 56.16 1sh4 n ASP 66 Cb 0.44 -0.16 -0.06 0.00 -0.72 0.00 0.00 41.12 40.62 1sh4 n ASP 66 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1sh4 h ALA 67 N 0.52 0.29 -0.49 -1.67 0.00 -1.08 0.22 119.26 117.05 1sh4 h ALA 67 Ca 0.14 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1sh4 h ALA 67 Cb 0.26 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1sh4 h ALA 67 CO -0.47 0.26 0.13 0.00 0.00 0.00 0.00 179.25 179.17 1sh4 h ARG 68 N 0.17 0.73 -0.02 0.00 3.08 -1.05 0.92 114.38 118.21 1sh4 h ARG 68 Ca 0.02 -0.13 -0.01 0.00 0.07 0.00 0.00 59.98 59.93 1sh4 h ARG 68 Cb 0.81 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 1sh4 h ARG 68 CO 0.06 0.66 -0.01 0.93 -1.07 0.00 0.00 179.97 180.53 1sh4 h GLU 69 N 0.71 0.04 -0.45 0.04 4.39 -0.52 -3.31 114.58 115.47 1sh4 h GLU 69 Ca 0.16 -0.02 0.08 0.00 0.34 0.00 0.00 59.36 59.93 1sh4 h GLU 69 Cb 0.25 -0.00 -0.07 0.00 -0.10 0.00 0.00 28.75 28.83 1sh4 h GLU 69 CO -0.00 0.46 0.03 1.25 -1.16 0.00 0.00 179.01 179.58 1sh4 h LEU 70 N -0.38 -0.12 -0.56 1.33 5.85 -0.15 -2.96 115.31 118.32 1sh4 h LEU 70 Ca 0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 1sh4 h LEU 70 Cb 0.44 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.64 1sh4 h LEU 70 CO 0.00 -0.03 0.00 -1.54 -0.34 0.00 0.00 178.44 176.54 1sh4 n SER 71 N -5.18 0.35 -0.31 1.25 3.41 0.28 -0.08 113.62 113.34 1sh4 n SER 71 Ca 0.04 0.61 0.14 0.00 -0.26 0.00 0.00 58.87 59.41 1sh4 n SER 71 Cb 0.23 -0.68 0.38 0.00 -0.26 0.00 0.00 64.21 63.89 1sh4 n SER 71 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 1sh4 h LYS 72 N 0.00 0.65 0.00 4.33 1.57 -1.68 0.23 116.57 121.67 1sh4 h LYS 72 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1sh4 h LYS 72 Cb 0.19 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.35 1sh4 h LYS 72 CO 0.00 0.43 0.00 -2.37 -0.57 0.00 0.00 179.45 176.94 1sh4 n THR 73 N -4.64 0.75 -0.01 -0.16 5.66 0.88 -3.31 114.28 113.45 1sh4 n THR 73 Ca 0.21 0.09 0.08 0.00 -3.05 0.00 0.00 64.05 61.38 1sh4 n THR 73 Cb 0.58 -0.99 -0.14 0.00 -1.55 0.00 0.00 70.33 68.23 1sh4 n THR 73 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 1sh4 n PHE 74 N -2.20 0.00 -1.72 1.09 3.72 0.49 -5.00 117.46 113.84 1sh4 n PHE 74 Ca 0.03 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 57.10 1sh4 n PHE 74 Cb 0.28 -0.42 0.05 0.00 -0.94 0.00 0.00 39.48 38.45 1sh4 n PHE 74 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 1sh4 s ILE 75 N -3.20 3.10 0.00 4.37 1.01 0.50 -0.58 121.20 126.40 1sh4 s ILE 75 Ca -0.07 0.52 0.00 0.00 0.00 0.00 0.00 60.65 61.10 1sh4 s ILE 75 Cb 0.11 -3.04 0.00 0.00 0.01 0.00 0.00 42.46 39.54 1sh4 s ILE 75 CO 0.73 -0.31 0.00 2.30 0.00 0.00 0.00 174.94 177.66 1sh4 n ILE 76 N -2.44 0.00 0.00 2.92 -5.35 0.03 -4.77 119.36 109.75 1sh4 n ILE 76 Ca 0.11 -0.05 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 1sh4 n ILE 76 Cb 0.52 0.46 0.00 0.00 -1.74 0.00 0.00 39.64 38.88 1sh4 n ILE 76 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1sh4 n GLY 77 N 1.82 -0.33 3.57 3.28 0.00 -1.21 -4.69 105.19 107.62 1sh4 n GLY 77 Ca 0.00 -0.26 -0.26 0.00 0.00 0.00 0.00 46.02 45.50 1sh4 n GLY 77 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1sh4 s GLU 78 N 0.00 1.88 0.00 1.61 2.02 -1.26 -0.31 118.70 122.64 1sh4 s GLU 78 Ca 0.00 -1.93 0.00 0.00 0.02 0.00 0.00 54.97 53.06 1sh4 s GLU 78 Cb 0.00 -1.74 0.00 0.00 0.10 0.00 0.00 34.13 32.49 1sh4 s GLU 78 CO 0.00 0.11 0.37 1.47 0.02 0.00 0.00 175.26 177.23 1sh4 n LEU 79 N -0.85 0.35 -1.00 1.80 -0.00 0.16 -0.76 117.00 116.70 1sh4 n LEU 79 Ca -0.05 -0.17 0.00 0.00 -0.00 0.00 0.00 56.01 55.79 1sh4 n LEU 79 Cb 0.64 -0.17 0.00 0.00 -0.00 0.00 0.00 43.42 43.88 1sh4 n LEU 79 CO 0.44 0.09 -0.30 1.57 -0.00 0.00 0.00 177.39 179.19 1sh4 n HIS 80 N -0.03 -2.73 0.48 1.47 -0.00 -1.23 -4.18 115.22 108.99 1sh4 n HIS 80 Ca 0.00 1.47 0.12 0.00 -0.00 0.00 0.00 57.72 59.32 1sh4 n HIS 80 Cb 0.09 -2.50 0.46 0.00 -0.00 0.00 0.00 29.99 28.04 1sh4 n HIS 80 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 1sh4 n PRO 81 N -1.75 0.23 -0.87 1.57 -0.04 -1.26 -3.67 135.00 129.20 1sh4 n PRO 81 Ca 0.00 0.35 -0.17 0.00 -0.04 0.00 0.00 63.50 63.64 1sh4 n PRO 81 Cb 0.20 -1.86 0.11 0.00 -0.04 0.00 0.00 33.50 31.91 1sh4 n PRO 81 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1sh4 n ASP 82 N -2.27 4.00 0.00 3.54 2.03 -1.26 -3.81 116.55 118.78 1sh4 n ASP 82 Ca 0.03 -3.14 0.00 0.00 0.52 0.00 0.00 54.79 52.21 1sh4 n ASP 82 Cb 0.31 -0.77 0.00 0.00 -0.72 0.00 0.00 41.12 39.93 1sh4 n ASP 82 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1sh4 n ASP 83 N -0.56 0.00 0.00 1.67 -0.08 -1.25 -5.03 116.55 111.31 1sh4 n ASP 83 Ca 0.41 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 1sh4 n ASP 83 Cb 1.21 0.02 0.00 0.00 2.34 0.00 0.00 41.12 44.69 1sh4 n ASP 83 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86