#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 0.38 0.10 0.00 -7.23 -1.26 -5.08 120.40 107.30 1sh4 s VAL 4 Ca 0.00 -1.40 -0.13 0.00 -1.81 0.00 0.00 61.98 58.64 1sh4 s VAL 4 Cb 0.00 -0.97 -0.17 0.00 0.56 0.00 0.00 36.38 35.80 1sh4 s VAL 4 CO 0.00 -0.67 1.29 0.50 -0.31 0.00 0.00 175.10 175.91 1sh4 h LYS 5 N 3.87 0.79 -2.49 4.82 3.64 -1.96 -3.50 116.57 121.75 1sh4 h LYS 5 Ca -0.34 -0.67 0.00 0.00 -1.27 0.00 0.00 60.65 58.37 1sh4 h LYS 5 Cb 1.18 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 33.15 1sh4 h LYS 5 CO 0.52 1.27 -0.65 0.66 -2.27 0.00 0.00 179.45 178.99 1sh4 n TYR 6 N -3.93 -2.87 -3.73 1.91 4.01 -1.26 -5.01 117.16 106.28 1sh4 n TYR 6 Ca -0.08 1.55 -0.15 0.00 -0.16 0.00 0.00 57.90 59.06 1sh4 n TYR 6 Cb 0.77 -2.58 -0.15 0.00 -0.31 0.00 0.00 39.34 37.06 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 -4.94 -0.10 0.49 -0.72 1.51 0.54 -4.89 117.35 109.24 1sh4 s TYR 7 Ca 0.00 0.39 -0.21 0.00 -1.01 0.00 0.00 57.07 56.24 1sh4 s TYR 7 Cb 0.00 -0.19 -0.07 0.00 -0.11 0.00 0.00 41.96 41.59 1sh4 s TYR 7 CO 0.00 -0.17 1.10 0.95 -1.11 0.00 0.00 175.55 176.32 1sh4 s THR 8 N 1.43 3.40 0.56 -0.71 -4.23 -1.26 -3.32 115.64 111.52 1sh4 s THR 8 Ca -0.06 0.95 0.28 0.00 -1.18 0.00 0.00 61.69 61.68 1sh4 s THR 8 Cb -0.12 -3.42 0.41 0.00 1.34 0.00 0.00 72.50 70.71 1sh4 s THR 8 CO -0.05 -0.12 1.94 0.25 -0.54 0.00 0.00 174.62 176.10 1sh4 h LEU 9 N 1.70 0.00 -0.15 4.79 5.85 -1.96 0.60 115.31 126.14 1sh4 h LEU 9 Ca -0.49 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.27 1sh4 h LEU 9 Cb 1.24 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.20 1sh4 h LEU 9 CO 0.59 0.00 -0.34 -0.08 -0.34 0.00 0.00 178.44 178.27 1sh4 h GLU 10 N 0.00 -0.40 0.39 1.25 4.81 -1.95 0.38 114.58 119.06 1sh4 h GLU 10 Ca 0.27 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.51 1sh4 h GLU 10 Cb 1.21 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.68 1sh4 h GLU 10 CO -0.00 -0.26 -0.19 1.49 -0.73 0.00 0.00 179.01 179.32 1sh4 h GLU 11 N -0.41 -0.50 -0.85 1.92 4.57 -0.25 -2.68 114.58 116.37 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 0.57 0.11 -0.11 0.00 -0.16 0.00 0.00 28.75 29.16 1sh4 h GLU 11 CO -0.38 -0.32 0.38 0.82 -1.18 0.00 0.00 179.01 178.34 1sh4 h ILE 12 N -0.55 0.59 -0.58 2.32 2.04 -0.85 0.28 117.51 120.77 1sh4 h ILE 12 Ca -0.05 -0.16 0.09 0.00 1.00 0.00 0.00 64.86 65.73 1sh4 h ILE 12 Cb 0.42 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1sh4 h ILE 12 CO 0.09 0.09 0.39 1.56 0.00 0.00 0.00 178.15 180.27 1sh4 h GLN 13 N 0.48 0.40 0.00 2.37 1.08 0.13 -1.19 115.11 118.37 1sh4 h GLN 13 Ca 0.50 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.67 1sh4 h GLN 13 Cb 0.83 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 1sh4 h GLN 13 CO -0.45 0.26 0.00 1.63 -0.95 0.00 0.00 178.83 179.32 1sh4 n LYS 14 N -4.47 0.17 -3.61 1.46 5.02 0.98 -4.30 118.16 113.40 1sh4 n LYS 14 Ca 0.09 0.33 -0.38 0.00 -2.02 0.00 0.00 58.31 56.33 1sh4 n LYS 14 Cb 0.35 -1.78 -0.07 0.00 -0.02 0.00 0.00 35.03 33.51 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 -3.20 3.73 -0.00 2.13 3.76 -0.45 -4.85 115.29 116.40 1sh4 s HIS 15 Ca 0.07 -2.79 0.01 0.00 -0.15 0.00 0.00 55.06 52.19 1sh4 s HIS 15 Cb 0.11 -3.32 0.01 0.00 1.11 0.00 0.00 32.58 30.48 1sh4 s HIS 15 CO 0.42 -0.81 0.68 0.27 -0.85 0.00 0.00 174.74 174.45 1sh4 n ASN 16 N 2.93 0.44 -0.51 1.40 0.23 -0.16 -0.63 115.26 118.97 1sh4 n ASN 16 Ca 0.16 -1.39 0.00 0.00 -0.53 0.00 0.00 54.58 52.82 1sh4 n ASN 16 Cb 0.38 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 38.04 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 -0.14 0.00 -0.31 0.53 3.02 -0.64 -4.84 115.26 112.86 1sh4 n ASN 17 Ca 0.01 -0.51 0.27 0.00 -0.03 0.00 0.00 54.58 54.32 1sh4 n ASN 17 Cb 0.49 0.00 0.59 0.00 -0.61 0.00 0.00 39.78 40.25 1sh4 n ASN 17 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 1sh4 h SER 18 N 0.00 0.29 -0.64 6.41 0.87 -2.00 0.17 113.55 118.66 1sh4 h SER 18 Ca 0.00 0.06 0.27 0.00 -1.23 0.00 0.00 61.79 60.88 1sh4 h SER 18 Cb 0.00 0.01 -0.12 0.00 -0.44 0.00 0.00 62.40 61.86 1sh4 h SER 18 CO 0.00 0.05 0.34 1.17 -0.53 0.00 0.00 176.83 177.86 1sh4 n LYS 19 N -4.48 -0.04 0.00 2.24 0.00 -1.26 -4.78 118.16 109.84 1sh4 n LYS 19 Ca 0.25 0.88 0.00 0.00 0.00 0.00 0.00 58.31 59.45 1sh4 n LYS 19 Cb 0.99 -1.58 0.00 0.00 0.00 0.00 0.00 35.03 34.44 1sh4 n LYS 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1sh4 n SER 20 N -4.46 0.00 -3.89 3.14 2.88 0.59 -4.99 113.62 106.90 1sh4 n SER 20 Ca 0.24 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.49 1sh4 n SER 20 Cb 0.82 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 64.14 1sh4 n SER 20 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1sh4 s THR 21 N -0.95 2.46 0.58 2.46 2.01 -1.17 -0.99 115.64 120.04 1sh4 s THR 21 Ca 0.00 -3.45 -0.03 0.00 0.31 0.00 0.00 61.69 58.52 1sh4 s THR 21 Cb 0.00 -2.68 0.03 0.00 0.01 0.00 0.00 72.50 69.86 1sh4 s THR 21 CO 0.00 -0.88 0.84 0.26 -0.69 0.00 0.00 174.62 174.16 1sh4 s TRP 22 N -0.50 3.04 0.28 4.92 0.52 0.20 -0.91 118.94 126.49 1sh4 s TRP 22 Ca 0.19 0.30 -0.20 0.00 0.02 0.00 0.00 56.10 56.42 1sh4 s TRP 22 Cb -0.20 -2.77 0.05 0.00 -1.15 0.00 0.00 33.47 29.41 1sh4 s TRP 22 CO -0.05 -0.89 0.83 -0.48 0.02 0.00 0.00 176.95 176.39 1sh4 s LEU 23 N -4.89 -0.12 -0.11 2.99 2.34 1.64 0.13 118.68 120.66 1sh4 s LEU 23 Ca 0.55 -0.77 0.03 0.00 0.06 0.00 0.00 54.13 54.00 1sh4 s LEU 23 Cb -0.10 2.57 0.01 0.00 -0.56 0.00 0.00 46.19 48.11 1sh4 s LEU 23 CO 0.41 -1.34 -0.20 -0.63 -1.06 0.00 0.00 176.35 173.54 1sh4 s ILE 24 N -3.00 1.81 -0.27 1.48 1.01 -1.07 -0.50 121.20 120.66 1sh4 s ILE 24 Ca 0.14 -0.84 0.03 0.00 0.00 0.00 0.00 60.65 59.98 1sh4 s ILE 24 Cb -0.04 -1.61 0.07 0.00 0.01 0.00 0.00 42.46 40.89 1sh4 s ILE 24 CO 0.07 0.50 -0.07 -0.76 0.00 0.00 0.00 174.94 174.69 1sh4 s LEU 25 N 0.74 3.62 -0.95 2.97 1.43 -0.11 -0.48 118.68 125.90 1sh4 s LEU 25 Ca -0.10 -1.54 -0.03 0.00 -1.03 0.00 0.00 54.13 51.43 1sh4 s LEU 25 Cb -0.16 -1.52 -0.03 0.00 0.03 0.00 0.00 46.19 44.51 1sh4 s LEU 25 CO 0.01 -0.24 0.81 1.41 0.23 0.00 0.00 176.35 178.58 1sh4 n HIS 26 N 4.42 -1.98 0.00 0.29 8.25 -1.26 -2.69 115.22 122.25 1sh4 n HIS 26 Ca -0.10 0.76 0.00 0.00 -0.26 0.00 0.00 57.72 58.12 1sh4 n HIS 26 Cb 0.42 -4.23 0.00 0.00 1.12 0.00 0.00 29.99 27.30 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 -3.29 0.00 -2.71 4.41 4.01 -1.26 -4.96 117.16 113.36 1sh4 n TYR 27 Ca -0.15 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.19 1sh4 n TYR 27 Cb 0.62 -0.12 -0.05 0.00 -0.31 0.00 0.00 39.34 39.48 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 4.74 0.02 -0.72 1.02 -1.10 -0.60 119.74 123.10 1sh4 s LYS 28 Ca 0.00 1.49 -0.09 0.00 0.02 0.00 0.00 55.97 57.40 1sh4 s LYS 28 Cb 0.00 -3.33 -0.05 0.00 -0.52 0.00 0.00 37.83 33.92 1sh4 s LYS 28 CO 0.00 0.30 0.31 0.08 -0.92 0.00 0.00 175.35 175.12 1sh4 s VAL 29 N -0.41 5.22 0.17 3.17 1.01 0.51 -0.93 120.40 129.14 1sh4 s VAL 29 Ca 0.45 0.33 0.11 0.00 0.00 0.00 0.00 61.98 62.87 1sh4 s VAL 29 Cb -0.25 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1sh4 s VAL 29 CO 0.31 0.39 -0.22 -0.31 0.00 0.00 0.00 175.10 175.27 1sh4 s TYR 30 N -1.28 2.38 -0.16 5.22 1.51 0.35 -0.47 117.35 124.89 1sh4 s TYR 30 Ca 0.28 -0.33 -0.04 0.00 -1.01 0.00 0.00 57.07 55.96 1sh4 s TYR 30 Cb -0.14 -1.21 0.07 0.00 -0.11 0.00 0.00 41.96 40.57 1sh4 s TYR 30 CO 0.15 0.45 0.13 0.34 -1.11 0.00 0.00 175.55 175.52 1sh4 s ASP 31 N -2.50 1.89 -0.05 2.29 -1.08 -0.31 -2.28 116.67 114.62 1sh4 s ASP 31 Ca 0.20 -0.39 0.07 0.00 -0.52 0.00 0.00 52.55 51.90 1sh4 s ASP 31 Cb -0.09 -0.03 0.11 0.00 -1.46 0.00 0.00 42.92 41.44 1sh4 s ASP 31 CO 0.10 -0.33 0.98 0.18 0.52 0.00 0.00 175.17 176.62 1sh4 n LEU 32 N 5.29 1.53 -0.05 -1.34 4.77 -0.08 -4.82 117.00 122.30 1sh4 n LEU 32 Ca -0.06 -1.96 0.21 0.00 -0.03 0.00 0.00 56.01 54.17 1sh4 n LEU 32 Cb 0.49 -0.16 0.42 0.00 -2.33 0.00 0.00 43.42 41.84 1sh4 n LEU 32 CO 0.09 0.47 1.20 0.74 -1.33 0.00 0.00 177.39 178.55 1sh4 h THR 33 N 1.52 0.05 0.03 -5.08 2.02 -1.92 0.25 112.91 109.77 1sh4 h THR 33 Ca 0.00 0.00 -0.38 0.00 0.77 0.00 0.00 66.41 66.80 1sh4 h THR 33 Cb 0.90 0.12 -0.06 0.00 -1.74 0.00 0.00 68.15 67.37 1sh4 h THR 33 CO 0.00 0.00 -2.32 0.29 0.37 0.00 0.00 175.52 173.86 1sh4 n LYS 34 N -3.16 0.68 -0.27 6.66 4.76 -1.26 -4.40 118.16 121.17 1sh4 n LYS 34 Ca 0.16 0.16 0.14 0.00 -2.87 0.00 0.00 58.31 55.90 1sh4 n LYS 34 Cb 1.26 -1.58 0.41 0.00 -1.84 0.00 0.00 35.03 33.28 1sh4 n LYS 34 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 1sh4 h PHE 35 N 0.02 0.77 -0.38 2.13 3.57 -0.90 0.11 116.94 122.25 1sh4 h PHE 35 Ca -0.52 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.07 1sh4 h PHE 35 Cb 1.99 -0.24 -0.07 0.00 2.79 0.00 0.00 35.95 40.42 1sh4 h PHE 35 CO 0.03 0.25 -0.10 1.28 -2.23 0.00 0.00 178.31 177.54 1sh4 n LEU 36 N -4.57 -0.15 -0.11 0.59 4.77 -1.05 -0.09 117.00 116.38 1sh4 n LEU 36 Ca 0.18 0.66 -0.03 0.00 -0.03 0.00 0.00 56.01 56.79 1sh4 n LEU 36 Cb 0.54 -0.19 0.18 0.00 -2.33 0.00 0.00 43.42 41.62 1sh4 n LEU 36 CO 0.29 -0.63 0.93 -0.33 -1.33 0.00 0.00 177.39 176.32 1sh4 h GLU 37 N 0.00 0.79 0.03 3.23 5.08 -1.05 -3.11 114.58 119.55 1sh4 h GLU 37 Ca 0.18 -0.18 -0.38 0.00 -1.00 0.00 0.00 59.36 57.97 1sh4 h GLU 37 Cb 0.27 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.37 1sh4 h GLU 37 CO -0.39 0.76 -2.19 -1.91 -1.00 0.00 0.00 179.01 174.28 1sh4 n GLU 38 N -4.25 0.64 -1.67 2.33 4.07 0.88 -4.98 120.64 117.65 1sh4 n GLU 38 Ca 0.03 0.28 -0.60 0.00 -0.06 0.00 0.00 57.16 56.81 1sh4 n GLU 38 Cb 0.26 -1.59 -0.08 0.00 -0.06 0.00 0.00 31.44 29.97 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 -3.79 1.90 0.26 4.31 -0.00 0.32 -4.87 115.22 113.35 1sh4 n HIS 39 Ca -0.43 0.68 0.11 0.00 0.46 0.00 0.00 57.72 58.55 1sh4 n HIS 39 Cb 0.92 -2.40 0.70 0.00 -0.12 0.00 0.00 29.99 29.10 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 7.17 0.00 0.00 1.57 0.13 -1.94 0.15 132.00 139.08 1sh4 h PRO 40 Ca -0.42 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.71 1sh4 h PRO 40 Cb 1.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.47 1sh4 h PRO 40 CO 0.98 0.12 -0.00 0.78 -0.23 0.00 0.00 178.00 179.65 1sh4 h GLY 41 N 0.66 0.00 0.00 1.56 0.00 -1.98 -3.49 103.07 99.82 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 0.02 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.17 1sh4 n GLY 42 N -0.89 2.37 0.19 4.60 0.00 0.52 -4.62 105.19 107.37 1sh4 n GLY 42 Ca -0.02 -1.91 -0.09 0.00 0.00 0.00 0.00 46.02 44.00 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 -0.37 0.00 1.61 4.11 -1.75 -3.26 114.58 114.91 1sh4 h GLU 43 Ca 0.00 0.03 -0.06 0.00 0.07 0.00 0.00 59.36 59.40 1sh4 h GLU 43 Cb 0.00 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1sh4 h GLU 43 CO 0.00 -0.12 -0.26 0.93 0.07 0.00 0.00 179.01 179.63 1sh4 h GLU 44 N -1.03 0.00 -0.56 1.06 5.08 -1.90 0.30 114.58 117.53 1sh4 h GLU 44 Ca -0.04 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 1sh4 h GLU 44 Cb 0.43 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1sh4 h GLU 44 CO 0.07 0.26 0.12 1.25 -1.00 0.00 0.00 179.01 179.71 1sh4 h HIS 45 N 0.00 0.91 0.00 4.33 2.76 -1.82 0.31 115.15 121.64 1sh4 h HIS 45 Ca -0.00 -0.09 -0.12 0.00 -2.20 0.00 0.00 60.37 57.95 1sh4 h HIS 45 Cb 0.48 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 29.16 1sh4 h HIS 45 CO 0.00 0.77 -0.58 1.25 -1.30 0.00 0.00 177.93 178.07 1sh4 h LEU 46 N 0.84 0.00 0.21 0.26 5.85 -0.65 -3.31 115.31 118.51 1sh4 h LEU 46 Ca 0.18 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.59 1sh4 h LEU 46 Cb 0.33 0.00 0.03 0.00 0.37 0.00 0.00 40.66 41.38 1sh4 h LEU 46 CO 0.00 0.58 -1.42 -0.09 -0.34 0.00 0.00 178.44 177.17 1sh4 h ARG 47 N 0.00 0.44 -0.84 1.25 1.12 -0.19 -2.06 114.38 114.10 1sh4 h ARG 47 Ca -0.01 -0.75 0.19 0.00 -1.11 0.00 0.00 59.98 58.31 1sh4 h ARG 47 Cb 1.29 0.28 -0.15 0.00 -0.01 0.00 0.00 29.97 31.38 1sh4 h ARG 47 CO 0.08 1.36 -0.05 1.49 -3.11 0.00 0.00 179.97 179.74 1sh4 h GLU 48 N -0.00 0.05 -0.30 0.20 4.22 -0.50 0.30 114.58 118.55 1sh4 h GLU 48 Ca -0.26 -0.00 -0.16 0.00 0.08 0.00 0.00 59.36 59.01 1sh4 h GLU 48 Cb 2.02 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 31.26 1sh4 h GLU 48 CO 0.21 0.04 -0.43 1.96 -2.18 0.00 0.00 179.01 178.60 1sh4 h GLN 49 N 0.05 0.83 -6.45 1.92 1.08 -1.64 -3.47 115.11 107.43 1sh4 h GLN 49 Ca 0.46 -0.49 -0.62 0.00 -1.45 0.00 0.00 58.65 56.55 1sh4 h GLN 49 Cb 0.81 0.04 0.09 0.00 -0.05 0.00 0.00 27.48 28.37 1sh4 h GLN 49 CO -0.78 1.12 0.36 0.00 -0.95 0.00 0.00 178.83 178.58 1sh4 n ALA 50 N -2.54 -0.03 0.00 3.87 0.00 0.09 -3.62 120.51 118.28 1sh4 n ALA 50 Ca -0.04 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.83 1sh4 n ALA 50 Cb 0.56 -2.11 0.00 0.00 0.00 0.00 0.00 19.45 17.90 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 1.90 1.26 0.00 0.00 0.00 0.12 -4.58 105.19 103.89 1sh4 n GLY 51 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 3.79 1.48 -0.02 0.00 -1.24 -2.40 105.19 106.81 1sh4 n GLY 52 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -6.90 -1.11 1.61 2.03 -1.25 -4.69 116.55 106.25 1sh4 n ASP 53 Ca 0.00 0.94 -0.04 0.00 0.52 0.00 0.00 54.79 56.21 1sh4 n ASP 53 Cb 0.00 -3.59 -0.04 0.00 -0.72 0.00 0.00 41.12 36.77 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 0.95 3.28 0.15 -1.67 0.00 0.37 -4.63 120.51 118.95 1sh4 n ALA 54 Ca 0.00 -1.12 -0.13 0.00 0.00 0.00 0.00 53.44 52.19 1sh4 n ALA 54 Cb 0.00 -0.43 -0.08 0.00 0.00 0.00 0.00 19.45 18.94 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 5.58 0.70 -0.22 0.00 2.02 -1.92 0.35 112.91 119.42 1sh4 h THR 55 Ca -0.44 -0.65 -0.00 0.00 0.77 0.00 0.00 66.41 66.08 1sh4 h THR 55 Cb 1.53 1.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.95 1sh4 h THR 55 CO -0.17 0.12 0.12 -0.33 0.37 0.00 0.00 175.52 175.64 1sh4 h GLU 56 N -0.77 0.30 -0.70 6.66 5.08 -1.94 -1.88 114.58 121.32 1sh4 h GLU 56 Ca -0.04 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1sh4 h GLU 56 Cb 0.50 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 1sh4 h GLU 56 CO 0.07 0.27 0.46 -0.91 -1.00 0.00 0.00 179.01 177.90 1sh4 h ASN 57 N 0.25 0.62 0.57 1.42 4.21 -1.92 0.24 115.58 120.98 1sh4 h ASN 57 Ca 0.08 0.01 -0.03 0.00 1.21 0.00 0.00 56.30 57.56 1sh4 h ASN 57 Cb 0.05 -0.13 0.01 0.00 -1.12 0.00 0.00 38.32 37.13 1sh4 h ASN 57 CO -0.01 0.39 -0.28 0.15 -1.29 0.00 0.00 177.43 176.39 1sh4 h PHE 58 N 0.70 -0.72 0.00 1.19 3.57 -0.07 -3.37 116.94 118.23 1sh4 h PHE 58 Ca 0.31 -0.02 -0.13 0.00 3.53 0.00 0.00 57.97 61.67 1sh4 h PHE 58 Cb 0.31 0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.27 1sh4 h PHE 58 CO -0.00 -0.38 -0.60 0.93 -2.23 0.00 0.00 178.31 176.03 1sh4 h GLU 59 N -0.99 0.00 -0.04 1.11 4.39 -0.68 0.29 114.58 118.66 1sh4 h GLU 59 Ca -0.08 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.63 1sh4 h GLU 59 Cb 0.65 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.27 1sh4 h GLU 59 CO 0.13 0.60 -0.28 0.22 -1.16 0.00 0.00 179.01 178.52 1sh4 h ASP 60 N 0.00 -0.89 -0.30 1.42 3.58 -0.70 -2.17 116.42 117.36 1sh4 h ASP 60 Ca -0.01 0.10 -0.18 0.00 0.42 0.00 0.00 57.03 57.36 1sh4 h ASP 60 Cb 1.27 0.34 -0.00 0.00 1.72 0.00 0.00 39.33 42.66 1sh4 h ASP 60 CO 0.08 -0.26 -0.52 -0.37 -2.88 0.00 0.00 179.24 175.28 1sh4 h VAL 61 N -0.33 1.27 -1.35 2.25 -1.51 -1.76 -3.50 116.25 111.33 1sh4 h VAL 61 Ca 0.01 -1.70 0.11 0.00 -1.23 0.00 0.00 66.70 63.89 1sh4 h VAL 61 Cb 0.37 1.59 -0.06 0.00 -2.13 0.00 0.00 31.29 31.06 1sh4 h VAL 61 CO -0.21 0.56 -0.47 0.61 -1.23 0.00 0.00 177.57 176.83 1sh4 n GLY 62 N 0.34 -2.99 0.00 5.19 0.00 0.10 -5.07 105.19 102.76 1sh4 n GLY 62 Ca -0.04 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.72 0.00 0.00 1.61 8.25 -1.26 -4.89 115.22 116.21 1sh4 n HIS 63 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.43 1sh4 n HIS 63 Cb 0.25 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.36 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 0.00 0.00 -0.12 0.41 7.64 -1.26 0.46 113.62 120.75 1sh4 n SER 64 Ca 0.00 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.80 1sh4 n SER 64 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 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 0.20 -0.64 0.44 1.35 -2.01 -0.37 112.91 111.87 1sh4 h THR 65 Ca 0.00 0.00 0.10 0.00 -0.55 0.00 0.00 66.41 65.96 1sh4 h THR 65 Cb 0.00 0.20 -0.10 0.00 -1.73 0.00 0.00 68.15 66.52 1sh4 h THR 65 CO 0.00 0.00 -0.25 -0.67 -0.25 0.00 0.00 175.52 174.35 1sh4 n ASP 66 N -5.42 -0.42 -0.12 5.36 -0.08 -1.26 -0.21 116.55 114.41 1sh4 n ASP 66 Ca 0.01 1.12 -0.12 0.00 -1.51 0.00 0.00 54.79 54.29 1sh4 n ASP 66 Cb 0.34 -0.26 -0.00 0.00 2.34 0.00 0.00 41.12 43.54 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 0.89 0.63 -0.09 -1.67 0.00 -1.54 0.19 119.26 117.67 1sh4 h ALA 67 Ca 0.22 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1sh4 h ALA 67 Cb 0.39 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1sh4 h ALA 67 CO -0.64 0.67 -0.09 0.00 0.00 0.00 0.00 179.25 179.20 1sh4 h ARG 68 N 0.76 0.13 0.03 0.00 -0.00 0.38 0.10 114.38 115.77 1sh4 h ARG 68 Ca 0.07 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.98 59.53 1sh4 h ARG 68 Cb 0.93 -0.02 0.00 0.00 0.00 0.00 0.00 29.97 30.88 1sh4 h ARG 68 CO 0.09 0.22 -0.01 0.93 0.00 0.00 0.00 179.97 181.20 1sh4 h GLU 69 N 0.12 -0.04 -0.64 0.04 4.39 -0.20 -3.34 114.58 114.92 1sh4 h GLU 69 Ca 0.03 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.86 1sh4 h GLU 69 Cb 0.24 0.01 -0.09 0.00 -0.10 0.00 0.00 28.75 28.80 1sh4 h GLU 69 CO 0.01 0.67 0.12 1.25 -1.16 0.00 0.00 179.01 179.90 1sh4 h LEU 70 N -0.83 -0.03 -0.97 1.33 7.12 -0.48 -2.17 115.31 119.27 1sh4 h LEU 70 Ca -0.00 0.13 0.31 0.00 0.13 0.00 0.00 57.88 58.44 1sh4 h LEU 70 Cb 0.72 0.18 -0.16 0.00 -0.53 0.00 0.00 40.66 40.87 1sh4 h LEU 70 CO 0.01 -0.02 0.42 0.77 -0.13 0.00 0.00 178.44 179.48 1sh4 h SER 71 N 0.24 0.23 -0.03 1.25 4.64 -0.91 0.17 113.55 119.15 1sh4 h SER 71 Ca 0.34 0.22 -0.01 0.00 -0.47 0.00 0.00 61.79 61.87 1sh4 h SER 71 Cb 0.54 0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 1sh4 h SER 71 CO -0.45 -0.22 -0.00 0.11 -0.87 0.00 0.00 176.83 175.40 1sh4 h LYS 72 N 0.20 0.10 -0.49 4.77 1.57 -1.54 0.30 116.57 121.48 1sh4 h LYS 72 Ca 0.69 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.46 1sh4 h LYS 72 Cb 1.58 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.87 1sh4 h LYS 72 CO -0.68 0.12 0.00 -2.37 -0.57 0.00 0.00 179.45 175.94 1sh4 n THR 73 N -4.47 0.64 -0.01 -0.16 5.66 0.56 -4.24 114.28 112.27 1sh4 n THR 73 Ca -0.02 -0.80 0.01 0.00 -3.05 0.00 0.00 64.05 60.19 1sh4 n THR 73 Cb 0.13 0.80 -0.05 0.00 -1.55 0.00 0.00 70.33 69.66 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 1.50 0.00 -1.89 1.09 3.01 -0.17 -5.03 117.46 115.97 1sh4 n PHE 74 Ca 0.21 0.00 -0.34 0.00 1.01 0.00 0.00 57.45 58.33 1sh4 n PHE 74 Cb 0.60 -0.19 0.04 0.00 -0.01 0.00 0.00 39.48 39.91 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 -2.36 3.18 -0.00 4.37 1.01 0.88 -1.17 121.20 127.12 1sh4 s ILE 75 Ca -0.03 0.60 0.00 0.00 0.00 0.00 0.00 60.65 61.23 1sh4 s ILE 75 Cb 0.03 -3.14 -0.00 0.00 0.01 0.00 0.00 42.46 39.36 1sh4 s ILE 75 CO 0.26 -0.29 0.01 2.30 0.00 0.00 0.00 174.94 177.22 1sh4 n ILE 76 N -2.10 0.00 0.00 2.92 -5.35 0.38 -4.79 119.36 110.42 1sh4 n ILE 76 Ca 0.11 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.49 1sh4 n ILE 76 Cb 0.52 0.59 0.00 0.00 -1.74 0.00 0.00 39.64 39.00 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 2.20 -0.70 3.17 3.28 0.00 -1.05 -4.68 105.19 107.42 1sh4 n GLY 77 Ca -0.00 0.23 -0.09 0.00 0.00 0.00 0.00 46.02 46.16 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 0.84 0.00 1.61 2.02 -1.26 -0.36 118.70 121.54 1sh4 s GLU 78 Ca 0.00 -1.20 0.03 0.00 0.02 0.00 0.00 54.97 53.81 1sh4 s GLU 78 Cb 0.00 0.28 0.16 0.00 0.10 0.00 0.00 34.13 34.67 1sh4 s GLU 78 CO 0.00 -0.24 0.91 1.47 0.02 0.00 0.00 175.26 177.43 1sh4 n LEU 79 N -0.04 0.00 -0.57 1.80 -0.00 0.23 -0.34 117.00 118.09 1sh4 n LEU 79 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 55.90 1sh4 n LEU 79 Cb 0.62 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.04 1sh4 n LEU 79 CO 0.27 0.00 -0.17 1.57 -0.00 0.00 0.00 177.39 179.06 1sh4 n HIS 80 N -0.55 -1.57 1.24 1.47 -0.00 -1.21 -4.22 115.22 110.38 1sh4 n HIS 80 Ca 0.02 0.84 0.13 0.00 -0.00 0.00 0.00 57.72 58.71 1sh4 n HIS 80 Cb 0.01 -1.82 0.66 0.00 -0.00 0.00 0.00 29.99 28.84 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 -1.23 0.38 -0.72 1.57 -0.04 -1.26 -3.33 135.00 130.36 1sh4 n PRO 81 Ca 0.00 0.04 -0.03 0.00 -0.04 0.00 0.00 63.50 63.47 1sh4 n PRO 81 Cb 0.05 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.23 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 -1.28 4.04 0.00 3.54 2.03 -1.26 -4.14 116.55 119.48 1sh4 n ASP 82 Ca 0.12 -2.84 0.00 0.00 0.52 0.00 0.00 54.79 52.60 1sh4 n ASP 82 Cb 0.20 -0.67 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 0.02 0.10 0.00 1.67 -0.08 -1.23 -5.05 116.55 111.99 1sh4 n ASP 83 Ca 0.28 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.56 1sh4 n ASP 83 Cb 1.08 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.54 1sh4 n ASP 83 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86