#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 0.23 0.00 0.11 -1.26 -4.96 120.40 116.68 1sh4 s VAL 4 Ca 0.00 0.07 -0.05 0.00 -2.93 0.00 0.00 61.98 59.07 1sh4 s VAL 4 Cb 0.00 -2.48 0.11 0.00 -1.53 0.00 0.00 36.38 32.48 1sh4 s VAL 4 CO 0.00 -0.05 1.73 0.50 -3.33 0.00 0.00 175.10 173.95 1sh4 h LYS 5 N -0.85 0.95 -3.25 1.54 3.64 -1.96 -3.50 116.57 113.13 1sh4 h LYS 5 Ca -0.46 -0.25 0.08 0.00 -1.27 0.00 0.00 60.65 58.75 1sh4 h LYS 5 Cb 1.29 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.95 1sh4 h LYS 5 CO 0.47 0.90 -0.93 0.66 -2.27 0.00 0.00 179.45 178.28 1sh4 n TYR 6 N -4.22 -3.71 -3.70 1.91 4.01 -1.26 -5.01 117.16 105.18 1sh4 n TYR 6 Ca 0.04 2.02 -0.17 0.00 -0.16 0.00 0.00 57.90 59.63 1sh4 n TYR 6 Cb 0.29 -3.22 -0.16 0.00 -0.31 0.00 0.00 39.34 35.94 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 -4.98 -0.07 0.39 -0.72 2.02 0.54 -4.87 117.35 109.66 1sh4 s TYR 7 Ca 0.00 0.40 -0.26 0.00 -0.37 0.00 0.00 57.07 56.84 1sh4 s TYR 7 Cb 0.00 -0.29 -0.09 0.00 -0.40 0.00 0.00 41.96 41.19 1sh4 s TYR 7 CO 0.00 -0.20 1.18 0.95 -1.57 0.00 0.00 175.55 175.92 1sh4 s THR 8 N 1.82 3.10 0.55 -0.71 -4.23 -1.26 -3.77 115.64 111.14 1sh4 s THR 8 Ca -0.01 0.95 0.29 0.00 -1.18 0.00 0.00 61.69 61.74 1sh4 s THR 8 Cb -0.12 -3.54 0.43 0.00 1.34 0.00 0.00 72.50 70.61 1sh4 s THR 8 CO -0.04 0.11 1.91 0.25 -0.54 0.00 0.00 174.62 176.31 1sh4 h LEU 9 N 2.74 0.00 -0.26 4.79 5.85 -1.96 0.59 115.31 127.06 1sh4 h LEU 9 Ca -0.49 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.29 1sh4 h LEU 9 Cb 1.23 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 42.19 1sh4 h LEU 9 CO 0.63 0.00 -0.44 -0.08 -0.34 0.00 0.00 178.44 178.20 1sh4 h GLU 10 N 0.00 -0.42 0.36 1.25 4.81 -1.95 0.37 114.58 118.99 1sh4 h GLU 10 Ca 0.32 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.56 1sh4 h GLU 10 Cb 1.38 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.86 1sh4 h GLU 10 CO -0.00 -0.28 -0.17 1.49 -0.73 0.00 0.00 179.01 179.32 1sh4 h GLU 11 N -0.43 -0.46 -0.81 1.92 4.57 -0.24 -2.43 114.58 116.70 1sh4 h GLU 11 Ca 0.10 0.03 0.18 0.00 -1.18 0.00 0.00 59.36 58.49 1sh4 h GLU 11 Cb 0.61 0.10 -0.11 0.00 -0.16 0.00 0.00 28.75 29.20 1sh4 h GLU 11 CO -0.48 -0.25 0.29 0.82 -1.18 0.00 0.00 179.01 178.20 1sh4 h ILE 12 N -0.56 0.53 0.00 2.32 2.04 -1.05 0.40 117.51 121.18 1sh4 h ILE 12 Ca -0.05 -0.12 -0.00 0.00 1.00 0.00 0.00 64.86 65.69 1sh4 h ILE 12 Cb 0.42 0.13 -0.00 0.00 -0.74 0.00 0.00 36.82 36.63 1sh4 h ILE 12 CO 0.08 0.07 -0.01 1.56 0.00 0.00 0.00 178.15 179.85 1sh4 h GLN 13 N 0.36 0.00 -0.00 2.37 1.08 0.19 -1.60 115.11 117.51 1sh4 h GLN 13 Ca 0.47 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.67 1sh4 h GLN 13 Cb 0.82 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.25 1sh4 h GLN 13 CO -0.50 0.01 -0.10 1.63 -0.95 0.00 0.00 178.83 178.92 1sh4 n LYS 14 N -3.98 0.55 -3.81 1.46 5.02 0.14 -4.52 118.16 113.01 1sh4 n LYS 14 Ca -0.03 -0.16 -0.33 0.00 -2.02 0.00 0.00 58.31 55.78 1sh4 n LYS 14 Cb 0.09 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.49 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 -2.56 3.46 -0.32 2.13 3.76 -0.60 -4.86 115.29 116.30 1sh4 s HIS 15 Ca 0.27 -3.05 0.12 0.00 -0.15 0.00 0.00 55.06 52.25 1sh4 s HIS 15 Cb 0.20 -2.98 0.38 0.00 1.11 0.00 0.00 32.58 31.29 1sh4 s HIS 15 CO 0.49 -0.72 1.50 0.27 -0.85 0.00 0.00 174.74 175.42 1sh4 n ASN 16 N 2.82 -1.41 0.00 1.40 0.23 -0.44 -0.53 115.26 117.32 1sh4 n ASN 16 Ca 0.12 -2.18 0.00 0.00 -0.53 0.00 0.00 54.58 51.99 1sh4 n ASN 16 Cb 0.35 0.66 0.00 0.00 -2.08 0.00 0.00 39.78 38.71 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 -1.45 0.00 -0.41 0.53 6.94 0.01 -4.94 115.26 115.93 1sh4 n ASN 17 Ca -0.18 0.00 0.34 0.00 -0.02 0.00 0.00 54.58 54.72 1sh4 n ASN 17 Cb 0.86 0.00 0.61 0.00 -2.36 0.00 0.00 39.78 38.90 1sh4 n ASN 17 CO 0.00 0.00 0.00 -1.28 -1.03 0.00 0.00 177.26 174.95 1sh4 h SER 18 N 0.00 0.29 -0.75 0.53 0.87 -2.00 0.16 113.55 112.65 1sh4 h SER 18 Ca 0.00 0.15 0.09 0.00 -1.23 0.00 0.00 61.79 60.80 1sh4 h SER 18 Cb 0.00 0.13 -0.10 0.00 -0.44 0.00 0.00 62.40 61.99 1sh4 h SER 18 CO 0.00 -0.18 -0.38 1.17 -0.53 0.00 0.00 176.83 176.92 1sh4 n LYS 19 N -4.77 -0.26 0.00 2.24 3.00 -1.26 -4.93 118.16 112.17 1sh4 n LYS 19 Ca 0.36 1.13 0.00 0.00 -0.00 0.00 0.00 58.31 59.80 1sh4 n LYS 19 Cb 1.32 -1.67 0.00 0.00 0.00 0.00 0.00 35.03 34.68 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 -5.00 0.00 -3.94 3.14 3.41 0.54 -5.04 113.62 106.74 1sh4 n SER 20 Ca 0.04 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.34 1sh4 n SER 20 Cb 0.24 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.03 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 -2.00 1.66 0.41 6.66 2.01 -1.26 -0.81 115.64 122.31 1sh4 s THR 21 Ca 0.00 -1.54 0.05 0.00 0.31 0.00 0.00 61.69 60.50 1sh4 s THR 21 Cb 0.00 -2.02 0.00 0.00 0.01 0.00 0.00 72.50 70.49 1sh4 s THR 21 CO 0.00 -0.30 0.59 0.26 -0.69 0.00 0.00 174.62 174.48 1sh4 s TRP 22 N 1.29 3.04 0.27 4.92 0.52 0.31 -0.68 118.94 128.61 1sh4 s TRP 22 Ca 0.00 -0.12 -0.21 0.00 0.02 0.00 0.00 56.10 55.79 1sh4 s TRP 22 Cb -0.19 -2.27 0.02 0.00 -1.15 0.00 0.00 33.47 29.88 1sh4 s TRP 22 CO -0.09 -0.31 0.71 -0.48 0.02 0.00 0.00 176.95 176.79 1sh4 s LEU 23 N -4.39 -0.25 -0.13 2.99 2.34 2.65 -0.02 118.68 121.87 1sh4 s LEU 23 Ca 0.50 -0.60 0.03 0.00 0.06 0.00 0.00 54.13 54.12 1sh4 s LEU 23 Cb -0.10 2.69 0.01 0.00 -0.56 0.00 0.00 46.19 48.23 1sh4 s LEU 23 CO 0.34 -1.33 -0.21 -0.63 -1.06 0.00 0.00 176.35 173.46 1sh4 s ILE 24 N -3.92 1.97 -0.22 1.48 1.01 -1.06 -0.51 121.20 119.96 1sh4 s ILE 24 Ca 0.11 -0.93 0.02 0.00 0.00 0.00 0.00 60.65 59.84 1sh4 s ILE 24 Cb -0.06 -1.74 0.04 0.00 0.01 0.00 0.00 42.46 40.72 1sh4 s ILE 24 CO 0.06 0.53 -0.13 -0.76 0.00 0.00 0.00 174.94 174.64 1sh4 s LEU 25 N 0.75 2.70 -1.14 2.97 1.43 -0.19 -0.63 118.68 124.56 1sh4 s LEU 25 Ca -0.09 -1.02 -0.01 0.00 -1.03 0.00 0.00 54.13 51.97 1sh4 s LEU 25 Cb -0.16 -1.43 0.00 0.00 0.03 0.00 0.00 46.19 44.63 1sh4 s LEU 25 CO 0.00 -0.12 0.96 1.41 0.23 0.00 0.00 176.35 178.83 1sh4 n HIS 26 N 4.57 -2.16 0.00 0.29 8.25 -1.26 -1.64 115.22 123.27 1sh4 n HIS 26 Ca -0.16 0.89 0.00 0.00 -0.26 0.00 0.00 57.72 58.19 1sh4 n HIS 26 Cb 0.46 -4.86 0.00 0.00 1.12 0.00 0.00 29.99 26.70 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 -4.08 0.00 -2.68 4.41 4.01 -1.26 -4.97 117.16 112.59 1sh4 n TYR 27 Ca -0.22 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.10 1sh4 n TYR 27 Cb 0.64 -0.44 -0.04 0.00 -0.31 0.00 0.00 39.34 39.19 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 4.63 0.04 -0.72 -0.14 -0.65 -0.43 119.74 122.47 1sh4 s LYS 28 Ca 0.00 1.49 -0.19 0.00 -1.36 0.00 0.00 55.97 55.92 1sh4 s LYS 28 Cb 0.00 -3.39 -0.06 0.00 -1.68 0.00 0.00 37.83 32.70 1sh4 s LYS 28 CO 0.00 0.09 0.54 0.08 -0.76 0.00 0.00 175.35 175.30 1sh4 s VAL 29 N 0.32 4.84 0.12 3.17 1.01 0.37 -1.02 120.40 129.20 1sh4 s VAL 29 Ca 0.49 1.14 0.08 0.00 0.00 0.00 0.00 61.98 63.69 1sh4 s VAL 29 Cb -0.24 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1sh4 s VAL 29 CO 0.30 0.53 -0.11 -0.31 0.00 0.00 0.00 175.10 175.51 1sh4 s TYR 30 N -0.90 2.70 -0.18 5.22 2.02 0.33 -0.75 117.35 125.80 1sh4 s TYR 30 Ca 0.28 -0.18 -0.04 0.00 -0.37 0.00 0.00 57.07 56.76 1sh4 s TYR 30 Cb -0.19 -1.40 0.06 0.00 -0.40 0.00 0.00 41.96 40.03 1sh4 s TYR 30 CO 0.17 0.43 0.07 0.34 -1.57 0.00 0.00 175.55 174.99 1sh4 s ASP 31 N -2.28 2.56 -0.12 2.29 -1.08 0.10 -2.26 116.67 115.87 1sh4 s ASP 31 Ca 0.21 -0.68 -0.03 0.00 -0.52 0.00 0.00 52.55 51.53 1sh4 s ASP 31 Cb -0.11 -0.39 -0.07 0.00 -1.46 0.00 0.00 42.92 40.90 1sh4 s ASP 31 CO 0.13 -0.33 -0.14 0.18 0.52 0.00 0.00 175.17 175.54 1sh4 n LEU 32 N 5.18 1.84 0.00 -1.34 4.77 0.15 -4.77 117.00 122.82 1sh4 n LEU 32 Ca -0.08 0.06 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1sh4 n LEU 32 Cb 0.48 -0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1sh4 n LEU 32 CO 0.11 0.46 0.00 0.41 -1.33 0.00 0.00 177.39 177.04 1sh4 n THR 33 N -3.25 0.00 0.02 -5.08 -1.04 -1.25 -0.75 114.28 102.93 1sh4 n THR 33 Ca -0.23 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 61.65 1sh4 n THR 33 Cb 0.70 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 69.07 1sh4 n THR 33 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1sh4 h LYS 34 N 0.00 0.12 -0.53 -2.82 1.57 -1.96 -3.37 116.57 109.58 1sh4 h LYS 34 Ca 0.00 -0.20 0.09 0.00 -1.87 0.00 0.00 60.65 58.67 1sh4 h LYS 34 Cb 0.00 0.08 -0.03 0.00 0.08 0.00 0.00 32.23 32.36 1sh4 h LYS 34 CO 0.00 0.86 0.36 0.35 -0.57 0.00 0.00 179.45 180.45 1sh4 h PHE 35 N 0.03 0.33 -0.65 -1.35 3.57 -1.34 0.16 116.94 117.70 1sh4 h PHE 35 Ca -0.26 0.01 0.18 0.00 3.53 0.00 0.00 57.97 61.43 1sh4 h PHE 35 Cb 1.99 -0.11 -0.12 0.00 2.79 0.00 0.00 35.95 40.50 1sh4 h PHE 35 CO 0.03 0.16 0.04 1.28 -2.23 0.00 0.00 178.31 177.59 1sh4 n LEU 36 N -4.46 -0.06 0.10 0.59 4.77 -1.26 -0.30 117.00 116.38 1sh4 n LEU 36 Ca 0.08 1.10 -0.05 0.00 -0.03 0.00 0.00 56.01 57.11 1sh4 n LEU 36 Cb 0.37 -0.41 0.03 0.00 -2.33 0.00 0.00 43.42 41.08 1sh4 n LEU 36 CO 0.34 -1.12 0.32 -0.33 -1.33 0.00 0.00 177.39 175.28 1sh4 h GLU 37 N 0.00 0.07 0.00 3.23 5.08 -0.94 -3.08 114.58 118.94 1sh4 h GLU 37 Ca 0.40 -0.08 -0.28 0.00 -1.00 0.00 0.00 59.36 58.41 1sh4 h GLU 37 Cb 0.85 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 30.08 1sh4 h GLU 37 CO -0.60 0.83 -1.66 0.39 -1.00 0.00 0.00 179.01 176.97 1sh4 n GLU 38 N -3.64 0.56 -1.89 2.33 1.02 0.53 -5.01 120.64 114.54 1sh4 n GLU 38 Ca -0.02 0.41 -0.40 0.00 -0.02 0.00 0.00 57.16 57.14 1sh4 n GLU 38 Cb 0.76 -1.61 0.01 0.00 -0.02 0.00 0.00 31.44 30.58 1sh4 n GLU 38 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1sh4 s HIS 39 N -2.46 2.58 0.06 -0.32 2.46 0.60 -5.05 115.29 113.15 1sh4 s HIS 39 Ca -0.31 1.31 -0.01 0.00 0.47 0.00 0.00 55.06 56.52 1sh4 s HIS 39 Cb 0.09 -3.84 0.01 0.00 -0.13 0.00 0.00 32.58 28.71 1sh4 s HIS 39 CO 0.50 -2.65 0.05 -0.35 -2.47 0.00 0.00 174.74 169.81 1sh4 n PRO 40 N -0.07 -1.35 0.00 2.88 -0.04 -1.26 -3.91 135.00 131.25 1sh4 n PRO 40 Ca 0.04 -0.07 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1sh4 n PRO 40 Cb 0.42 -0.08 0.00 0.00 -0.04 0.00 0.00 33.50 33.81 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 1.57 1.25 0.00 0.55 0.00 -1.26 -4.76 105.19 102.54 1sh4 n GLY 41 Ca 0.01 -0.01 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 3.27 0.18 -0.02 0.00 -1.25 -4.55 105.19 102.81 1sh4 n GLY 42 Ca 0.00 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 1sh4 n GLY 42 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1sh4 h GLU 43 N 0.00 0.53 -0.26 1.61 9.09 -1.80 -2.94 114.58 120.81 1sh4 h GLU 43 Ca 0.00 -0.06 -0.06 0.00 0.05 0.00 0.00 59.36 59.30 1sh4 h GLU 43 Cb 0.00 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 26.98 1sh4 h GLU 43 CO 0.00 0.42 -0.09 0.93 0.05 0.00 0.00 179.01 180.33 1sh4 h GLU 44 N 0.49 0.41 -0.19 1.06 4.39 -1.89 0.30 114.58 119.15 1sh4 h GLU 44 Ca 0.13 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.65 1sh4 h GLU 44 Cb 0.04 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 1sh4 h GLU 44 CO -0.02 0.51 -0.26 1.25 -1.16 0.00 0.00 179.01 179.32 1sh4 h HIS 45 N 0.39 0.40 -0.00 4.33 2.76 -1.79 0.36 115.15 121.60 1sh4 h HIS 45 Ca 0.08 -0.08 -0.19 0.00 -2.20 0.00 0.00 60.37 57.98 1sh4 h HIS 45 Cb 0.40 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 1sh4 h HIS 45 CO 0.01 0.60 -0.84 -0.07 -1.30 0.00 0.00 177.93 176.33 1sh4 h LEU 46 N 0.32 0.20 -0.06 0.26 3.38 -0.72 -3.21 115.31 115.47 1sh4 h LEU 46 Ca 0.05 -0.15 -0.23 0.00 0.09 0.00 0.00 57.88 57.63 1sh4 h LEU 46 Cb 0.64 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 41.34 1sh4 h LEU 46 CO 0.05 0.95 -0.86 -0.09 0.09 0.00 0.00 178.44 178.58 1sh4 h ARG 47 N 0.09 0.69 -0.66 1.13 2.43 -0.00 0.22 114.38 118.28 1sh4 h ARG 47 Ca -0.03 -0.66 0.13 0.00 -0.81 0.00 0.00 59.98 58.61 1sh4 h ARG 47 Cb 1.46 0.17 -0.12 0.00 -0.42 0.00 0.00 29.97 31.05 1sh4 h ARG 47 CO 0.12 1.26 -0.13 1.49 -1.51 0.00 0.00 179.97 181.20 1sh4 h GLU 48 N 0.36 0.02 -0.26 0.20 4.22 -0.42 -1.76 114.58 116.93 1sh4 h GLU 48 Ca -0.09 -0.00 -0.12 0.00 0.08 0.00 0.00 59.36 59.22 1sh4 h GLU 48 Cb 1.51 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.75 1sh4 h GLU 48 CO 0.17 0.01 -0.32 1.96 -2.18 0.00 0.00 179.01 178.66 1sh4 h GLN 49 N 0.02 0.68 -6.41 1.92 1.08 -1.52 -3.48 115.11 107.40 1sh4 h GLN 49 Ca 0.32 -0.38 -0.59 0.00 -1.45 0.00 0.00 58.65 56.55 1sh4 h GLN 49 Cb 0.51 0.02 0.16 0.00 -0.05 0.00 0.00 27.48 28.13 1sh4 h GLN 49 CO -0.65 1.00 -0.45 0.00 -0.95 0.00 0.00 178.83 177.77 1sh4 n ALA 50 N -2.50 -1.38 0.00 3.87 0.00 0.77 -3.84 120.51 117.43 1sh4 n ALA 50 Ca -0.04 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1sh4 n ALA 50 Cb 0.49 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 1.84 0.56 0.00 0.00 0.00 0.97 -4.82 105.19 103.74 1sh4 n GLY 51 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.35 -1.08 0.00 -0.02 0.00 -1.25 -2.86 105.19 98.62 1sh4 n GLY 52 Ca 0.00 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.78 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 2.32 0.00 -1.01 1.61 2.03 -1.24 -3.23 116.55 117.02 1sh4 n ASP 53 Ca 0.00 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.33 1sh4 n ASP 53 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 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 0.00 2.20 0.18 -1.67 0.00 0.20 -4.84 120.51 116.58 1sh4 n ALA 54 Ca 0.00 -1.72 -0.14 0.00 0.00 0.00 0.00 53.44 51.58 1sh4 n ALA 54 Cb 0.00 -0.62 -0.08 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 6.90 0.66 -0.19 0.00 2.02 -1.87 0.26 112.91 120.70 1sh4 h THR 55 Ca -0.12 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1sh4 h THR 55 Cb 1.65 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 1sh4 h THR 55 CO 0.05 0.09 0.12 -0.08 0.37 0.00 0.00 175.52 176.07 1sh4 h GLU 56 N -0.74 0.24 -0.66 6.66 4.57 -1.91 -0.57 114.58 122.16 1sh4 h GLU 56 Ca -0.05 -0.01 0.06 0.00 -1.18 0.00 0.00 59.36 58.18 1sh4 h GLU 56 Cb 0.50 -0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 29.00 1sh4 h GLU 56 CO 0.08 0.16 0.44 -0.91 -1.18 0.00 0.00 179.01 177.59 1sh4 h ASN 57 N 0.24 0.58 0.47 1.04 4.21 -1.90 0.19 115.58 120.41 1sh4 h ASN 57 Ca 0.07 0.00 -0.02 0.00 1.21 0.00 0.00 56.30 57.56 1sh4 h ASN 57 Cb -0.02 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.06 1sh4 h ASN 57 CO -0.02 0.38 -0.23 0.15 -1.29 0.00 0.00 177.43 176.42 1sh4 h PHE 58 N 0.66 -0.59 -0.12 1.19 3.57 -0.17 -3.35 116.94 118.13 1sh4 h PHE 58 Ca 0.28 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.78 1sh4 h PHE 58 Cb 0.27 0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.20 1sh4 h PHE 58 CO -0.00 -0.27 0.08 0.93 -2.23 0.00 0.00 178.31 176.82 1sh4 h GLU 59 N -1.04 0.14 -0.96 1.11 4.39 -0.22 -0.11 114.58 117.90 1sh4 h GLU 59 Ca -0.06 -0.01 0.29 0.00 0.34 0.00 0.00 59.36 59.92 1sh4 h GLU 59 Cb 0.57 -0.03 -0.15 0.00 -0.10 0.00 0.00 28.75 29.04 1sh4 h GLU 59 CO 0.11 0.09 0.40 0.22 -1.16 0.00 0.00 179.01 178.67 1sh4 h ASP 60 N 0.14 0.23 -1.40 1.42 3.58 -0.80 0.21 116.42 119.79 1sh4 h ASP 60 Ca 0.05 0.21 -0.57 0.00 0.42 0.00 0.00 57.03 57.13 1sh4 h ASP 60 Cb 0.02 0.23 -0.42 0.00 1.72 0.00 0.00 39.33 40.87 1sh4 h ASP 60 CO -0.01 -0.19 -0.76 0.55 -2.88 0.00 0.00 179.24 175.95 1sh4 n VAL 61 N -5.17 2.33 -1.45 2.25 3.14 -0.19 -5.08 118.33 114.16 1sh4 n VAL 61 Ca 0.28 -4.77 -0.52 0.00 -2.96 0.00 0.00 64.34 56.36 1sh4 n VAL 61 Cb 0.88 -1.17 -0.08 0.00 -1.06 0.00 0.00 33.84 32.42 1sh4 n VAL 61 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1sh4 n GLY 62 N -0.49 0.48 0.00 7.55 0.00 0.72 -4.88 105.19 108.57 1sh4 n GLY 62 Ca 0.38 0.95 0.00 0.00 0.00 0.00 0.00 46.02 47.36 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 9.03 0.00 -0.05 1.61 8.25 -1.26 -4.99 115.22 127.80 1sh4 n HIS 63 Ca 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.87 1sh4 n HIS 63 Cb 0.19 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.30 1sh4 n HIS 63 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1sh4 n SER 64 N 0.00 0.00 0.18 0.41 3.41 -1.26 0.61 113.62 116.97 1sh4 n SER 64 Ca 0.00 0.00 -0.15 0.00 -0.26 0.00 0.00 58.87 58.46 1sh4 n SER 64 Cb 0.00 -0.16 -0.09 0.00 -0.26 0.00 0.00 64.21 63.71 1sh4 n SER 64 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1sh4 h THR 65 N -0.11 0.00 -0.71 6.66 1.35 -1.98 -1.40 112.91 116.73 1sh4 h THR 65 Ca 0.00 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.00 1sh4 h THR 65 Cb 0.04 0.00 -0.13 0.00 -1.73 0.00 0.00 68.15 66.32 1sh4 h THR 65 CO 0.00 0.00 -0.17 0.47 -0.25 0.00 0.00 175.52 175.57 1sh4 n ASP 66 N -5.08 -0.25 0.08 5.36 9.92 -1.26 0.06 116.55 125.38 1sh4 n ASP 66 Ca -0.09 1.22 -0.13 0.00 -0.53 0.00 0.00 54.79 55.26 1sh4 n ASP 66 Cb 0.38 -0.37 -0.08 0.00 -0.64 0.00 0.00 41.12 40.41 1sh4 n ASP 66 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1sh4 h ALA 67 N 1.42 -0.21 -0.12 2.24 0.00 -1.93 0.12 119.26 120.79 1sh4 h ALA 67 Ca 0.34 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.12 1sh4 h ALA 67 Cb 0.53 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1sh4 h ALA 67 CO -0.73 -0.47 0.08 0.00 0.00 0.00 0.00 179.25 178.13 1sh4 h ARG 68 N -0.50 0.03 -0.03 0.00 3.08 0.67 0.25 114.38 117.88 1sh4 h ARG 68 Ca -0.02 -0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.95 1sh4 h ARG 68 Cb 0.39 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1sh4 h ARG 68 CO 0.03 0.02 -0.28 0.93 -1.07 0.00 0.00 179.97 179.60 1sh4 h GLU 69 N 0.03 0.24 -0.78 0.04 4.39 -0.35 -3.16 114.58 114.99 1sh4 h GLU 69 Ca 0.05 -0.22 0.16 0.00 0.34 0.00 0.00 59.36 59.69 1sh4 h GLU 69 Cb 0.18 0.05 -0.10 0.00 -0.10 0.00 0.00 28.75 28.78 1sh4 h GLU 69 CO -0.00 0.91 0.31 1.25 -1.16 0.00 0.00 179.01 180.31 1sh4 h LEU 70 N -0.34 0.27 -2.61 1.33 5.85 0.16 -2.92 115.31 117.04 1sh4 h LEU 70 Ca -0.03 0.12 -0.00 0.00 0.84 0.00 0.00 57.88 58.81 1sh4 h LEU 70 Cb 0.98 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.12 1sh4 h LEU 70 CO 0.06 0.08 -0.00 0.77 -0.34 0.00 0.00 178.44 179.00 1sh4 h SER 71 N 0.43 0.00 -0.07 1.25 4.64 -0.49 0.25 113.55 119.55 1sh4 h SER 71 Ca 0.44 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.77 1sh4 h SER 71 Cb 0.70 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.79 1sh4 h SER 71 CO -0.43 0.00 0.05 0.11 -0.87 0.00 0.00 176.83 175.69 1sh4 h LYS 72 N 0.00 0.06 0.00 4.77 1.57 -1.61 0.22 116.57 121.57 1sh4 h LYS 72 Ca -0.00 -0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1sh4 h LYS 72 Cb 0.02 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 1sh4 h LYS 72 CO 0.00 0.04 -0.11 0.00 -0.57 0.00 0.00 179.45 178.80 1sh4 h THR 73 N 0.06 0.25 0.00 -0.16 1.03 -0.70 -3.28 112.91 110.11 1sh4 h THR 73 Ca 0.03 -0.97 -0.00 0.00 -0.01 0.00 0.00 66.41 65.46 1sh4 h THR 73 Cb 0.04 1.79 -0.00 0.00 -1.07 0.00 0.00 68.15 68.90 1sh4 h THR 73 CO -0.00 0.11 -1.74 0.49 -0.01 0.00 0.00 175.52 174.37 1sh4 n PHE 74 N -3.20 0.26 -2.03 0.00 3.72 0.27 -4.93 117.46 111.56 1sh4 n PHE 74 Ca 0.01 0.08 -0.35 0.00 -0.05 0.00 0.00 57.45 57.14 1sh4 n PHE 74 Cb 0.43 -0.63 0.03 0.00 -0.94 0.00 0.00 39.48 38.37 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 -3.47 3.01 -0.04 4.37 1.01 0.50 -0.72 121.20 125.86 1sh4 s ILE 75 Ca -0.06 0.58 0.04 0.00 0.00 0.00 0.00 60.65 61.21 1sh4 s ILE 75 Cb 0.13 -3.18 -0.06 0.00 0.01 0.00 0.00 42.46 39.36 1sh4 s ILE 75 CO 0.88 -0.19 0.02 2.30 0.00 0.00 0.00 174.94 177.96 1sh4 n ILE 76 N -1.73 0.30 0.00 2.92 -5.35 0.07 -4.78 119.36 110.79 1sh4 n ILE 76 Ca 0.12 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.41 1sh4 n ILE 76 Cb 0.51 -0.78 0.00 0.00 -1.74 0.00 0.00 39.64 37.63 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 2.67 -0.45 3.31 3.28 0.00 -1.03 -4.72 105.19 108.24 1sh4 n GLY 77 Ca -0.07 0.41 -0.16 0.00 0.00 0.00 0.00 46.02 46.19 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 1.29 0.00 1.61 2.02 -1.26 -0.48 118.70 121.88 1sh4 s GLU 78 Ca 0.00 -1.65 0.22 0.00 0.02 0.00 0.00 54.97 53.56 1sh4 s GLU 78 Cb 0.00 -0.55 1.31 0.00 0.10 0.00 0.00 34.13 34.99 1sh4 s GLU 78 CO 0.00 -0.10 1.78 1.47 0.02 0.00 0.00 175.26 178.43 1sh4 n LEU 79 N -0.38 0.00 0.00 1.80 -0.00 0.43 -0.34 117.00 118.51 1sh4 n LEU 79 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.96 1sh4 n LEU 79 Cb 0.64 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.06 1sh4 n LEU 79 CO 0.36 0.00 0.00 1.57 -0.00 0.00 0.00 177.39 179.32 1sh4 n HIS 80 N -0.88 0.00 0.76 1.47 -0.00 -1.25 -4.10 115.22 111.22 1sh4 n HIS 80 Ca 0.16 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.96 1sh4 n HIS 80 Cb 0.08 -1.03 0.39 0.00 -0.00 0.00 0.00 29.99 29.42 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 -0.04 0.29 -0.50 1.57 -0.04 -1.26 -1.51 135.00 133.50 1sh4 n PRO 81 Ca 0.00 0.10 0.04 0.00 -0.04 0.00 0.00 63.50 63.61 1sh4 n PRO 81 Cb 0.00 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.19 3.65 0.00 3.54 2.03 -1.26 -4.34 116.55 118.97 1sh4 n ASP 82 Ca 0.08 -2.49 0.00 0.00 0.52 0.00 0.00 54.79 52.90 1sh4 n ASP 82 Cb 0.09 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.92 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 0.42 0.00 0.00 1.67 -0.08 -0.57 -5.04 116.55 112.94 1sh4 n ASP 83 Ca 0.16 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.44 1sh4 n ASP 83 Cb 0.76 0.01 0.00 0.00 2.34 0.00 0.00 41.12 44.23 1sh4 n ASP 83 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86