#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 0.01 0.24 0.00 0.11 -1.26 -5.07 120.40 114.43 1sh4 s VAL 4 Ca 0.00 -0.33 -0.05 0.00 -2.93 0.00 0.00 61.98 58.67 1sh4 s VAL 4 Cb 0.00 -1.30 0.14 0.00 -1.53 0.00 0.00 36.38 33.69 1sh4 s VAL 4 CO 0.00 -0.02 1.77 0.50 -3.33 0.00 0.00 175.10 174.02 1sh4 h LYS 5 N 2.03 0.98 -3.08 1.54 3.64 -1.95 -3.50 116.57 116.24 1sh4 h LYS 5 Ca -0.30 -0.22 0.04 0.00 -1.27 0.00 0.00 60.65 58.90 1sh4 h LYS 5 Cb 1.29 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 1sh4 h LYS 5 CO 0.35 0.87 -0.84 0.66 -2.27 0.00 0.00 179.45 178.22 1sh4 n TYR 6 N -4.25 -3.52 -3.77 1.91 4.01 -1.26 -5.01 117.16 105.26 1sh4 n TYR 6 Ca 0.05 1.91 -0.18 0.00 -0.16 0.00 0.00 57.90 59.52 1sh4 n TYR 6 Cb 0.24 -3.07 -0.17 0.00 -0.31 0.00 0.00 39.34 36.04 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 -5.03 0.18 0.39 -0.72 2.02 0.41 -4.86 117.35 109.73 1sh4 s TYR 7 Ca 0.00 0.11 -0.26 0.00 -0.37 0.00 0.00 57.07 56.56 1sh4 s TYR 7 Cb 0.00 -0.44 -0.09 0.00 -0.40 0.00 0.00 41.96 41.04 1sh4 s TYR 7 CO 0.00 -0.16 1.22 0.95 -1.57 0.00 0.00 175.55 175.98 1sh4 s THR 8 N 1.58 2.97 0.33 -0.71 -4.23 -1.26 -3.13 115.64 111.19 1sh4 s THR 8 Ca -0.02 0.85 0.11 0.00 -1.18 0.00 0.00 61.69 61.45 1sh4 s THR 8 Cb -0.13 -3.49 0.32 0.00 1.34 0.00 0.00 72.50 70.54 1sh4 s THR 8 CO -0.03 0.11 1.68 0.25 -0.54 0.00 0.00 174.62 176.09 1sh4 h LEU 9 N 2.75 0.48 -0.64 4.79 6.46 -1.97 0.62 115.31 127.81 1sh4 h LEU 9 Ca -0.49 0.18 0.12 0.00 -0.12 0.00 0.00 57.88 57.57 1sh4 h LEU 9 Cb 1.24 0.13 -0.12 0.00 -0.73 0.00 0.00 40.66 41.17 1sh4 h LEU 9 CO 0.63 -0.08 -0.26 -0.08 -0.62 0.00 0.00 178.44 178.03 1sh4 h GLU 10 N 0.37 -0.08 0.51 1.25 4.81 -1.96 0.41 114.58 119.88 1sh4 h GLU 10 Ca 0.68 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.90 1sh4 h GLU 10 Cb 1.48 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.88 1sh4 h GLU 10 CO -0.58 -0.06 -0.24 1.49 -0.73 0.00 0.00 179.01 178.89 1sh4 h GLU 11 N -0.09 -0.65 -0.93 1.92 4.57 -0.21 -3.06 114.58 116.14 1sh4 h GLU 11 Ca 0.28 0.04 0.25 0.00 -1.18 0.00 0.00 59.36 58.76 1sh4 h GLU 11 Cb 0.53 0.15 -0.14 0.00 -0.16 0.00 0.00 28.75 29.13 1sh4 h GLU 11 CO -0.70 -0.38 0.41 0.82 -1.18 0.00 0.00 179.01 177.99 1sh4 h ILE 12 N -0.82 0.39 0.00 2.32 2.04 -0.29 0.26 117.51 121.41 1sh4 h ILE 12 Ca -0.07 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.67 1sh4 h ILE 12 Cb 0.58 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1sh4 h ILE 12 CO 0.11 0.06 -0.01 1.56 0.00 0.00 0.00 178.15 179.88 1sh4 h GLN 13 N 0.34 0.00 0.00 2.37 1.08 -0.09 -1.37 115.11 117.44 1sh4 h GLN 13 Ca 0.61 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.81 1sh4 h GLN 13 Cb 1.24 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.67 1sh4 h GLN 13 CO -0.58 0.01 0.00 1.63 -0.95 0.00 0.00 178.83 178.94 1sh4 n LYS 14 N -4.00 0.25 -3.71 1.46 5.02 0.91 -4.55 118.16 113.54 1sh4 n LYS 14 Ca -0.03 0.26 -0.35 0.00 -2.02 0.00 0.00 58.31 56.18 1sh4 n LYS 14 Cb 0.09 -1.82 -0.08 0.00 -0.02 0.00 0.00 35.03 33.20 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 -3.15 3.70 -0.23 2.13 3.76 -0.52 -4.79 115.29 116.19 1sh4 s HIS 15 Ca 0.09 -3.01 0.14 0.00 -0.15 0.00 0.00 55.06 52.13 1sh4 s HIS 15 Cb 0.12 -3.13 0.36 0.00 1.11 0.00 0.00 32.58 31.03 1sh4 s HIS 15 CO 0.55 -0.73 1.33 0.27 -0.85 0.00 0.00 174.74 175.31 1sh4 n ASN 16 N 2.57 -0.55 -1.09 1.40 0.23 -0.19 -0.47 115.26 117.16 1sh4 n ASN 16 Ca 0.17 -2.12 -0.01 0.00 -0.53 0.00 0.00 54.58 52.10 1sh4 n ASN 16 Cb 0.37 0.29 -0.00 0.00 -2.08 0.00 0.00 39.78 38.36 1sh4 n ASN 16 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1sh4 n ASN 17 N -0.91 -0.08 -0.38 0.53 0.23 -0.49 -4.93 115.26 109.23 1sh4 n ASN 17 Ca -0.13 -1.08 0.31 0.00 -0.53 0.00 0.00 54.58 53.15 1sh4 n ASN 17 Cb 0.85 0.14 0.57 0.00 -2.08 0.00 0.00 39.78 39.26 1sh4 n ASN 17 CO 0.00 0.00 0.00 -1.28 -0.93 0.00 0.00 177.26 175.05 1sh4 h SER 18 N 0.09 0.36 -0.47 0.53 0.87 -2.00 0.16 113.55 113.08 1sh4 h SER 18 Ca -0.01 0.16 0.07 0.00 -1.23 0.00 0.00 61.79 60.77 1sh4 h SER 18 Cb 0.05 0.13 -0.07 0.00 -0.44 0.00 0.00 62.40 62.08 1sh4 h SER 18 CO 0.02 -0.17 -0.21 1.17 -0.53 0.00 0.00 176.83 177.11 1sh4 n LYS 19 N -4.87 -0.14 0.00 2.24 3.00 -1.26 -4.84 118.16 112.29 1sh4 n LYS 19 Ca 0.34 0.73 0.00 0.00 -0.00 0.00 0.00 58.31 59.38 1sh4 n LYS 19 Cb 1.21 -1.08 0.00 0.00 0.00 0.00 0.00 35.03 35.16 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 -4.67 0.00 -3.95 3.14 3.41 0.56 -5.05 113.62 107.06 1sh4 n SER 20 Ca 0.04 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.35 1sh4 n SER 20 Cb 0.17 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.40 2.41 0.58 6.66 2.01 -1.24 -1.02 115.64 123.63 1sh4 s THR 21 Ca 0.00 -3.00 -0.02 0.00 0.31 0.00 0.00 61.69 58.98 1sh4 s THR 21 Cb 0.00 -2.70 0.03 0.00 0.01 0.00 0.00 72.50 69.84 1sh4 s THR 21 CO 0.00 -0.75 0.84 0.26 -0.69 0.00 0.00 174.62 174.28 1sh4 s TRP 22 N 0.08 3.00 0.26 4.92 0.52 0.37 -0.82 118.94 127.29 1sh4 s TRP 22 Ca 0.15 0.26 -0.21 0.00 0.02 0.00 0.00 56.10 56.33 1sh4 s TRP 22 Cb -0.24 -2.80 0.03 0.00 -1.15 0.00 0.00 33.47 29.32 1sh4 s TRP 22 CO -0.02 -0.92 0.77 -0.48 0.02 0.00 0.00 176.95 176.31 1sh4 s LEU 23 N -4.90 -0.22 -0.18 2.99 2.34 2.27 -0.12 118.68 120.86 1sh4 s LEU 23 Ca 0.56 -0.61 0.01 0.00 0.06 0.00 0.00 54.13 54.15 1sh4 s LEU 23 Cb -0.10 2.63 0.02 0.00 -0.56 0.00 0.00 46.19 48.18 1sh4 s LEU 23 CO 0.41 -1.29 -0.20 -0.63 -1.06 0.00 0.00 176.35 173.58 1sh4 s ILE 24 N -3.67 2.07 -0.32 1.48 1.01 -1.08 -0.60 121.20 120.09 1sh4 s ILE 24 Ca 0.12 -0.94 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1sh4 s ILE 24 Cb -0.05 -1.86 0.08 0.00 0.01 0.00 0.00 42.46 40.63 1sh4 s ILE 24 CO 0.06 0.54 0.03 -0.76 0.00 0.00 0.00 174.94 174.82 1sh4 s LEU 25 N 1.23 4.29 -0.86 2.97 1.43 -0.16 -0.75 118.68 126.83 1sh4 s LEU 25 Ca 0.03 -1.67 -0.01 0.00 -1.03 0.00 0.00 54.13 51.46 1sh4 s LEU 25 Cb -0.13 -1.68 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 1sh4 s LEU 25 CO -0.12 -0.33 0.73 1.41 0.23 0.00 0.00 176.35 178.27 1sh4 n HIS 26 N 4.49 -1.68 0.00 0.29 8.25 -1.26 -2.32 115.22 122.99 1sh4 n HIS 26 Ca -0.07 0.68 0.00 0.00 -0.26 0.00 0.00 57.72 58.07 1sh4 n HIS 26 Cb 0.42 -4.14 0.00 0.00 1.12 0.00 0.00 29.99 27.40 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 -3.18 0.00 -2.61 4.41 4.01 -1.26 -4.96 117.16 113.57 1sh4 n TYR 27 Ca -0.17 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.16 1sh4 n TYR 27 Cb 0.62 -0.49 -0.04 0.00 -0.31 0.00 0.00 39.34 39.11 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 4.67 -0.02 -0.72 -0.14 -0.98 -0.24 119.74 122.31 1sh4 s LYS 28 Ca 0.00 1.62 -0.09 0.00 -1.36 0.00 0.00 55.97 56.14 1sh4 s LYS 28 Cb 0.00 -3.29 -0.05 0.00 -1.68 0.00 0.00 37.83 32.81 1sh4 s LYS 28 CO 0.00 0.21 0.28 0.08 -0.76 0.00 0.00 175.35 175.16 1sh4 s VAL 29 N -0.44 5.27 0.13 3.17 1.01 0.62 -0.99 120.40 129.17 1sh4 s VAL 29 Ca 0.47 0.38 0.10 0.00 0.00 0.00 0.00 61.98 62.93 1sh4 s VAL 29 Cb -0.27 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 1sh4 s VAL 29 CO 0.34 0.48 -0.23 -0.31 0.00 0.00 0.00 175.10 175.38 1sh4 s TYR 30 N -1.18 2.40 -0.18 5.22 1.51 0.23 -0.59 117.35 124.76 1sh4 s TYR 30 Ca 0.24 -0.33 -0.05 0.00 -1.01 0.00 0.00 57.07 55.92 1sh4 s TYR 30 Cb -0.14 -1.28 0.06 0.00 -0.11 0.00 0.00 41.96 40.50 1sh4 s TYR 30 CO 0.12 0.37 0.09 0.34 -1.11 0.00 0.00 175.55 175.36 1sh4 s ASP 31 N -2.15 2.48 -0.14 2.29 -1.08 -0.75 -2.22 116.67 115.09 1sh4 s ASP 31 Ca 0.16 -0.68 0.15 0.00 -0.52 0.00 0.00 52.55 51.65 1sh4 s ASP 31 Cb -0.10 -0.27 0.34 0.00 -1.46 0.00 0.00 42.92 41.43 1sh4 s ASP 31 CO 0.08 -0.35 1.17 0.18 0.52 0.00 0.00 175.17 176.76 1sh4 n LEU 32 N 5.26 2.10 0.00 -1.34 4.77 0.00 -4.82 117.00 122.98 1sh4 n LEU 32 Ca -0.07 -3.11 0.00 0.00 -0.03 0.00 0.00 56.01 52.80 1sh4 n LEU 32 Cb 0.48 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 41.20 1sh4 n LEU 32 CO 0.10 0.95 0.33 0.41 -1.33 0.00 0.00 177.39 177.85 1sh4 n THR 33 N -0.90 0.67 -0.04 -5.08 -1.04 -1.26 -1.15 114.28 105.49 1sh4 n THR 33 Ca 0.14 0.25 -0.06 0.00 -2.04 0.00 0.00 64.05 62.34 1sh4 n THR 33 Cb 0.74 -1.25 -0.03 0.00 -1.82 0.00 0.00 70.33 67.97 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 -1.09 0.17 -0.27 -2.82 4.76 -1.26 -4.63 118.16 113.02 1sh4 n LYS 34 Ca 0.00 0.05 0.33 0.00 -2.87 0.00 0.00 58.31 55.82 1sh4 n LYS 34 Cb 0.08 -1.01 0.74 0.00 -1.84 0.00 0.00 35.03 33.00 1sh4 n LYS 34 CO 0.00 0.00 0.00 0.74 -1.37 0.00 0.00 177.40 176.77 1sh4 h PHE 35 N -0.09 0.00 -0.89 2.13 0.04 -1.52 0.45 116.94 117.06 1sh4 h PHE 35 Ca -0.17 0.00 0.14 0.00 2.80 0.00 0.00 57.97 60.75 1sh4 h PHE 35 Cb 1.21 0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.22 1sh4 h PHE 35 CO -0.00 0.00 -0.33 1.28 -0.60 0.00 0.00 178.31 178.66 1sh4 n LEU 36 N -4.14 -0.53 -0.00 1.54 4.77 -0.67 -0.32 117.00 117.65 1sh4 n LEU 36 Ca 0.23 1.55 -0.13 0.00 -0.03 0.00 0.00 56.01 57.63 1sh4 n LEU 36 Cb 1.16 -0.38 -0.10 0.00 -2.33 0.00 0.00 43.42 41.78 1sh4 n LEU 36 CO 0.39 -1.41 0.54 -0.33 -1.33 0.00 0.00 177.39 175.25 1sh4 h GLU 37 N 0.00 -0.06 -0.22 3.23 5.08 -0.42 -3.27 114.58 118.92 1sh4 h GLU 37 Ca 0.33 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.66 1sh4 h GLU 37 Cb 0.55 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.81 1sh4 h GLU 37 CO -0.89 0.50 0.02 0.93 -1.00 0.00 0.00 179.01 178.56 1sh4 h GLU 38 N -0.67 0.38 -7.14 2.33 4.39 -1.18 -3.45 114.58 109.25 1sh4 h GLU 38 Ca -0.01 -0.11 -0.50 0.00 0.34 0.00 0.00 59.36 59.08 1sh4 h GLU 38 Cb 0.58 -0.04 0.08 0.00 -0.10 0.00 0.00 28.75 29.28 1sh4 h GLU 38 CO 0.01 0.55 0.40 -1.58 -1.16 0.00 0.00 179.01 177.23 1sh4 s HIS 39 N -5.08 2.68 0.00 4.33 2.46 0.57 -5.08 115.29 115.16 1sh4 s HIS 39 Ca -0.14 1.55 0.00 0.00 0.47 0.00 0.00 55.06 56.94 1sh4 s HIS 39 Cb 0.07 -3.22 0.00 0.00 -0.13 0.00 0.00 32.58 29.30 1sh4 s HIS 39 CO 0.73 -1.57 0.00 -0.35 -2.47 0.00 0.00 174.74 171.08 1sh4 n PRO 40 N -1.78 2.12 0.00 2.88 -0.04 -1.26 -4.45 135.00 132.48 1sh4 n PRO 40 Ca 0.11 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.57 1sh4 n PRO 40 Cb 0.51 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 1sh4 n PRO 40 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1sh4 n GLY 41 N 2.13 1.04 0.00 0.55 0.00 -1.26 -4.68 105.19 102.98 1sh4 n GLY 41 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1sh4 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1sh4 n GLY 42 N 0.00 2.52 0.28 -0.02 0.00 -1.26 -4.46 105.19 102.25 1sh4 n GLY 42 Ca 0.00 -1.75 -0.02 0.00 0.00 0.00 0.00 46.02 44.26 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 0.81 -0.52 1.61 5.08 -1.83 -2.77 114.58 116.95 1sh4 h GLU 43 Ca 0.00 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 1sh4 h GLU 43 Cb 0.00 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.04 1sh4 h GLU 43 CO 0.00 0.54 0.29 0.93 -1.00 0.00 0.00 179.01 179.76 1sh4 h GLU 44 N 0.83 0.72 0.00 2.33 4.39 -1.91 0.14 114.58 121.08 1sh4 h GLU 44 Ca 0.31 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.83 1sh4 h GLU 44 Cb 0.11 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.59 1sh4 h GLU 44 CO -0.15 0.53 -0.53 1.25 -1.16 0.00 0.00 179.01 178.95 1sh4 h HIS 45 N 0.73 0.00 0.10 4.33 2.76 -1.71 0.38 115.15 121.73 1sh4 h HIS 45 Ca 0.19 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 58.08 1sh4 h HIS 45 Cb 0.02 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.00 1sh4 h HIS 45 CO 0.00 0.53 -1.18 -0.07 -1.30 0.00 0.00 177.93 175.92 1sh4 h LEU 46 N 0.00 0.66 -0.30 0.26 3.38 -1.17 -3.29 115.31 114.85 1sh4 h LEU 46 Ca -0.01 -0.62 -0.17 0.00 0.09 0.00 0.00 57.88 57.18 1sh4 h LEU 46 Cb 1.01 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 1sh4 h LEU 46 CO 0.07 1.44 -0.46 -0.09 0.09 0.00 0.00 178.44 179.49 1sh4 h ARG 47 N 0.20 0.85 -0.77 1.13 2.43 -0.37 0.11 114.38 117.95 1sh4 h ARG 47 Ca -0.15 -0.51 0.13 0.00 -0.81 0.00 0.00 59.98 58.65 1sh4 h ARG 47 Cb 1.85 0.05 -0.14 0.00 -0.42 0.00 0.00 29.97 31.31 1sh4 h ARG 47 CO 0.21 1.14 -0.32 1.49 -1.51 0.00 0.00 179.97 180.98 1sh4 h GLU 48 N 0.62 -0.07 -0.06 0.20 4.81 -0.40 -2.06 114.58 117.62 1sh4 h GLU 48 Ca 0.03 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.04 1sh4 h GLU 48 Cb 1.06 0.02 0.01 0.00 0.63 0.00 0.00 28.75 30.47 1sh4 h GLU 48 CO 0.11 -0.05 -0.88 1.96 -0.73 0.00 0.00 179.01 179.42 1sh4 h GLN 49 N -0.07 0.58 -6.54 1.92 1.08 -1.54 -3.48 115.11 107.06 1sh4 h GLN 49 Ca 0.31 -0.55 -0.57 0.00 -1.45 0.00 0.00 58.65 56.38 1sh4 h GLN 49 Cb 0.58 0.14 0.18 0.00 -0.05 0.00 0.00 27.48 28.33 1sh4 h GLN 49 CO -0.82 1.17 -0.46 0.00 -0.95 0.00 0.00 178.83 177.77 1sh4 n ALA 50 N -2.58 -1.48 0.00 3.87 0.00 0.34 -4.04 120.51 116.62 1sh4 n ALA 50 Ca -0.07 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1sh4 n ALA 50 Cb 0.80 -1.81 0.00 0.00 0.00 0.00 0.00 19.45 18.44 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 1.80 0.81 0.00 0.00 0.00 0.82 -4.80 105.19 103.83 1sh4 n GLY 51 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.73 -0.22 0.00 -0.02 0.00 -1.26 -3.27 105.19 98.68 1sh4 n GLY 52 Ca 0.00 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.51 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 2.25 0.00 -0.47 1.61 -0.08 -1.25 -3.00 116.55 115.60 1sh4 n ASP 53 Ca 0.00 0.00 0.05 0.00 -1.51 0.00 0.00 54.79 53.33 1sh4 n ASP 53 Cb 0.00 0.00 0.07 0.00 2.34 0.00 0.00 41.12 43.53 1sh4 n ASP 53 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sh4 n ALA 54 N 0.01 2.30 -0.01 -1.67 0.00 0.07 -4.78 120.51 116.41 1sh4 n ALA 54 Ca 0.00 -1.97 -0.13 0.00 0.00 0.00 0.00 53.44 51.34 1sh4 n ALA 54 Cb 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 19.45 18.89 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 3.87 1.33 0.20 0.00 2.02 -1.75 0.14 112.91 118.72 1sh4 h THR 55 Ca -0.03 -0.99 0.01 0.00 0.77 0.00 0.00 66.41 66.17 1sh4 h THR 55 Cb 1.27 1.95 -0.02 0.00 -1.74 0.00 0.00 68.15 69.61 1sh4 h THR 55 CO 0.01 0.26 -0.25 -0.08 0.37 0.00 0.00 175.52 175.83 1sh4 h GLU 56 N -0.35 -0.49 -0.55 6.66 4.81 -1.89 0.00 114.58 122.77 1sh4 h GLU 56 Ca 0.01 0.03 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 1sh4 h GLU 56 Cb 0.43 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.90 1sh4 h GLU 56 CO 0.00 -0.33 0.11 -0.97 -0.73 0.00 0.00 179.01 177.09 1sh4 h ASN 57 N -0.51 0.80 -0.27 1.04 -0.00 -1.91 0.12 115.58 114.86 1sh4 h ASN 57 Ca 0.01 -0.16 0.00 0.00 -0.00 0.00 0.00 56.30 56.15 1sh4 h ASN 57 Cb 0.49 -0.21 -0.01 0.00 -0.00 0.00 0.00 38.32 38.59 1sh4 h ASN 57 CO -0.09 0.80 0.18 0.15 -0.00 0.00 0.00 177.43 178.47 1sh4 h PHE 58 N 0.82 0.33 0.00 0.67 3.57 -0.48 -3.08 116.94 118.78 1sh4 h PHE 58 Ca 0.18 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.56 1sh4 h PHE 58 Cb 0.33 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.94 1sh4 h PHE 58 CO 0.02 0.21 -0.68 1.49 -2.23 0.00 0.00 178.31 177.12 1sh4 h GLU 59 N 0.36 0.00 0.61 1.11 4.57 -0.63 0.63 114.58 121.24 1sh4 h GLU 59 Ca 0.10 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.25 1sh4 h GLU 59 Cb -0.04 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.54 1sh4 h GLU 59 CO -0.02 0.48 -0.41 0.22 -1.18 0.00 0.00 179.01 178.09 1sh4 h ASP 60 N 0.00 -1.07 -0.76 1.04 3.58 -0.81 -2.62 116.42 115.79 1sh4 h ASP 60 Ca -0.03 0.07 0.01 0.00 0.42 0.00 0.00 57.03 57.50 1sh4 h ASP 60 Cb 1.43 0.32 -0.04 0.00 1.72 0.00 0.00 39.33 42.76 1sh4 h ASP 60 CO 0.06 -0.61 0.50 0.58 -2.88 0.00 0.00 179.24 176.89 1sh4 h VAL 61 N -0.97 1.19 0.00 2.25 2.07 -1.61 -3.46 116.25 115.72 1sh4 h VAL 61 Ca -0.08 -0.35 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1sh4 h VAL 61 Cb 0.79 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.64 1sh4 h VAL 61 CO 0.06 0.19 0.00 0.61 0.02 0.00 0.00 177.57 178.44 1sh4 n GLY 62 N -1.31 0.58 3.37 2.17 0.00 0.22 -4.90 105.19 105.33 1sh4 n GLY 62 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 1sh4 n GLY 62 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1sh4 n HIS 63 N 0.00 -1.72 0.00 1.61 8.25 -1.26 -4.73 115.22 117.37 1sh4 n HIS 63 Ca 0.00 0.28 0.00 0.00 -0.26 0.00 0.00 57.72 57.74 1sh4 n HIS 63 Cb 0.00 -1.80 0.00 0.00 1.12 0.00 0.00 29.99 29.31 1sh4 n HIS 63 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1sh4 n SER 64 N 0.17 0.00 -0.31 0.41 7.64 -1.26 0.56 113.62 120.83 1sh4 n SER 64 Ca 0.07 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.10 1sh4 n SER 64 Cb 0.51 0.00 0.31 0.00 -1.01 0.00 0.00 64.21 64.02 1sh4 n SER 64 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1sh4 h THR 65 N 0.00 0.18 -0.66 0.44 1.35 -1.99 0.18 112.91 112.41 1sh4 h THR 65 Ca 0.00 -0.04 0.09 0.00 -0.55 0.00 0.00 66.41 65.91 1sh4 h THR 65 Cb 0.00 0.06 -0.10 0.00 -1.73 0.00 0.00 68.15 66.39 1sh4 h THR 65 CO 0.00 0.02 -0.30 -0.67 -0.25 0.00 0.00 175.52 174.32 1sh4 n ASP 66 N -5.33 -0.52 -0.15 5.36 -0.08 -1.26 -0.32 116.55 114.25 1sh4 n ASP 66 Ca 0.23 1.16 -0.11 0.00 -1.51 0.00 0.00 54.79 54.55 1sh4 n ASP 66 Cb 0.75 -0.22 -0.01 0.00 2.34 0.00 0.00 41.12 43.98 1sh4 n ASP 66 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1sh4 h ALA 67 N 0.70 0.61 -0.52 -1.67 0.00 -1.05 0.16 119.26 117.49 1sh4 h ALA 67 Ca 0.18 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 1sh4 h ALA 67 Cb 0.35 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1sh4 h ALA 67 CO -0.64 0.53 0.19 0.00 0.00 0.00 0.00 179.25 179.32 1sh4 h ARG 68 N 0.70 0.75 0.16 0.00 -0.00 -0.94 0.18 114.38 115.23 1sh4 h ARG 68 Ca 0.11 -0.12 -0.01 0.00 -0.50 0.00 0.00 59.98 59.46 1sh4 h ARG 68 Cb 0.69 -0.13 0.00 0.00 0.00 0.00 0.00 29.97 30.53 1sh4 h ARG 68 CO 0.05 0.64 -0.08 0.93 0.00 0.00 0.00 179.97 181.51 1sh4 h GLU 69 N 0.74 -0.21 -0.82 0.04 4.39 -0.38 -3.25 114.58 115.08 1sh4 h GLU 69 Ca 0.18 0.01 0.19 0.00 0.34 0.00 0.00 59.36 60.08 1sh4 h GLU 69 Cb 0.18 0.05 -0.12 0.00 -0.10 0.00 0.00 28.75 28.76 1sh4 h GLU 69 CO -0.01 0.17 0.28 1.25 -1.16 0.00 0.00 179.01 179.54 1sh4 h LEU 70 N -0.66 0.15 -0.96 1.33 7.12 -0.43 -1.52 115.31 120.33 1sh4 h LEU 70 Ca -0.02 0.15 0.28 0.00 0.13 0.00 0.00 57.88 58.43 1sh4 h LEU 70 Cb 0.48 0.17 -0.14 0.00 -0.53 0.00 0.00 40.66 40.64 1sh4 h LEU 70 CO 0.04 -0.03 0.45 0.28 -0.13 0.00 0.00 178.44 179.05 1sh4 h SER 71 N 0.33 0.34 -0.89 1.25 0.02 -0.68 0.24 113.55 114.17 1sh4 h SER 71 Ca 0.49 0.19 0.13 0.00 -0.84 0.00 0.00 61.79 61.76 1sh4 h SER 71 Cb 0.89 0.18 -0.07 0.00 0.14 0.00 0.00 62.40 63.54 1sh4 h SER 71 CO -0.53 -0.12 0.57 0.11 -1.14 0.00 0.00 176.83 175.72 1sh4 h LYS 72 N 0.31 0.72 -0.22 3.45 1.57 -1.39 0.27 116.57 121.28 1sh4 h LYS 72 Ca 0.66 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.40 1sh4 h LYS 72 Cb 1.44 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1sh4 h LYS 72 CO -0.61 0.48 0.00 -2.37 -0.57 0.00 0.00 179.45 176.37 1sh4 n THR 73 N -4.55 0.27 -0.03 -0.16 5.66 0.80 -3.99 114.28 112.27 1sh4 n THR 73 Ca 0.17 -0.47 -0.01 0.00 -3.05 0.00 0.00 64.05 60.69 1sh4 n THR 73 Cb 0.42 0.63 -0.09 0.00 -1.55 0.00 0.00 70.33 69.75 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 0.73 0.00 -1.27 1.09 3.01 -0.14 -5.02 117.46 115.87 1sh4 n PHE 74 Ca 0.17 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.30 1sh4 n PHE 74 Cb 0.43 -0.41 0.11 0.00 -0.01 0.00 0.00 39.48 39.60 1sh4 n PHE 74 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 1sh4 s ILE 75 N -2.47 2.38 -0.03 4.37 1.01 0.77 -1.82 121.20 125.41 1sh4 s ILE 75 Ca -0.05 0.17 0.02 0.00 0.00 0.00 0.00 60.65 60.79 1sh4 s ILE 75 Cb 0.05 -2.60 -0.04 0.00 0.01 0.00 0.00 42.46 39.88 1sh4 s ILE 75 CO 0.45 -0.12 -0.00 2.30 0.00 0.00 0.00 174.94 177.57 1sh4 n ILE 76 N -3.12 0.23 0.00 2.92 -5.35 0.24 -4.76 119.36 109.52 1sh4 n ILE 76 Ca 0.13 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1sh4 n ILE 76 Cb 0.51 -0.85 0.00 0.00 -1.74 0.00 0.00 39.64 37.56 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 2.92 -0.29 3.40 3.28 0.00 -1.00 -4.80 105.19 108.70 1sh4 n GLY 77 Ca -0.06 0.42 -0.20 0.00 0.00 0.00 0.00 46.02 46.18 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 1.50 0.00 1.61 2.02 -1.26 -0.28 118.70 122.29 1sh4 s GLU 78 Ca 0.00 -1.77 0.00 0.00 0.02 0.00 0.00 54.97 53.22 1sh4 s GLU 78 Cb 0.00 -0.93 0.00 0.00 0.10 0.00 0.00 34.13 33.30 1sh4 s GLU 78 CO 0.00 -0.04 0.44 1.47 0.02 0.00 0.00 175.26 177.15 1sh4 n LEU 79 N -0.55 0.79 -0.80 1.80 -0.00 0.67 -0.45 117.00 118.47 1sh4 n LEU 79 Ca -0.05 -0.40 0.09 0.00 -0.00 0.00 0.00 56.01 55.65 1sh4 n LEU 79 Cb 0.64 -0.40 -0.05 0.00 -0.00 0.00 0.00 43.42 43.61 1sh4 n LEU 79 CO 0.39 0.20 -0.35 1.57 -0.00 0.00 0.00 177.39 179.20 1sh4 n HIS 80 N 0.05 -2.15 1.07 1.47 -0.00 -1.18 -4.26 115.22 110.21 1sh4 n HIS 80 Ca 0.00 1.19 0.12 0.00 -0.00 0.00 0.00 57.72 59.03 1sh4 n HIS 80 Cb 0.20 -1.96 0.22 0.00 -0.00 0.00 0.00 29.99 28.45 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 -3.21 0.33 -1.28 1.57 -0.05 -1.26 -3.90 135.00 127.19 1sh4 n PRO 81 Ca -0.05 -0.21 -0.31 0.00 -0.05 0.00 0.00 63.50 62.87 1sh4 n PRO 81 Cb 0.37 -1.50 0.10 0.00 -0.05 0.00 0.00 33.50 32.43 1sh4 n PRO 81 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 175.50 171.98 1sh4 n ASP 82 N -1.15 6.63 0.06 3.54 2.03 -1.26 -4.30 116.55 122.10 1sh4 n ASP 82 Ca 0.08 -3.71 0.00 0.00 0.52 0.00 0.00 54.79 51.67 1sh4 n ASP 82 Cb 0.35 -0.94 0.00 0.00 -0.72 0.00 0.00 41.12 39.80 1sh4 n ASP 82 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1sh4 n ASP 83 N -0.93 -0.60 0.00 1.67 9.92 -1.26 -5.03 116.55 120.31 1sh4 n ASP 83 Ca 0.61 0.23 0.01 0.00 -0.53 0.00 0.00 54.79 55.11 1sh4 n ASP 83 Cb 0.92 0.73 0.07 0.00 -0.64 0.00 0.00 41.12 42.20 1sh4 n ASP 83 CO 0.00 0.00 0.00 -2.11 0.13 0.00 0.00 177.20 175.22