#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 2.96 -1.13 0.00 -7.23 -1.26 -4.96 120.40 108.77 1sh4 s VAL 4 Ca 0.00 0.87 0.24 0.00 -1.81 0.00 0.00 61.98 61.28 1sh4 s VAL 4 Cb 0.00 -3.52 -0.06 0.00 0.56 0.00 0.00 36.38 33.36 1sh4 s VAL 4 CO 0.00 0.14 1.23 2.29 -0.31 0.00 0.00 175.10 178.45 1sh4 n LYS 5 N 0.40 0.15 -1.24 4.82 2.85 -1.26 -5.02 118.16 118.85 1sh4 n LYS 5 Ca 0.02 -0.10 0.10 0.00 -1.05 0.00 0.00 58.31 57.28 1sh4 n LYS 5 Cb 0.44 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.27 1sh4 n LYS 5 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1sh4 n TYR 6 N -1.33 -3.37 -3.65 5.58 4.01 -1.26 -5.01 117.16 112.13 1sh4 n TYR 6 Ca 0.06 1.85 -0.18 0.00 -0.16 0.00 0.00 57.90 59.47 1sh4 n TYR 6 Cb 0.34 -3.01 -0.16 0.00 -0.31 0.00 0.00 39.34 36.20 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 -4.44 -0.11 0.51 -0.72 1.51 0.13 -4.90 117.35 109.33 1sh4 s TYR 7 Ca 0.00 0.43 -0.22 0.00 -1.01 0.00 0.00 57.07 56.27 1sh4 s TYR 7 Cb 0.00 -0.35 -0.06 0.00 -0.11 0.00 0.00 41.96 41.45 1sh4 s TYR 7 CO 0.00 -0.31 1.27 0.95 -1.11 0.00 0.00 175.55 176.35 1sh4 s THR 8 N 2.26 2.55 0.56 -0.71 -4.23 -1.26 -3.44 115.64 111.36 1sh4 s THR 8 Ca 0.04 0.40 0.29 0.00 -1.18 0.00 0.00 61.69 61.24 1sh4 s THR 8 Cb -0.13 -3.20 0.42 0.00 1.34 0.00 0.00 72.50 70.94 1sh4 s THR 8 CO -0.06 -0.01 1.90 0.25 -0.54 0.00 0.00 174.62 176.16 1sh4 h LEU 9 N 1.65 0.00 -0.13 4.79 5.85 -1.96 0.61 115.31 126.12 1sh4 h LEU 9 Ca -0.50 0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.26 1sh4 h LEU 9 Cb 1.28 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 42.25 1sh4 h LEU 9 CO 0.58 0.00 -0.32 -0.08 -0.34 0.00 0.00 178.44 178.28 1sh4 h GLU 10 N 0.00 -0.39 0.36 1.25 4.81 -1.96 0.44 114.58 119.10 1sh4 h GLU 10 Ca 0.30 0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.55 1sh4 h GLU 10 Cb 1.37 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.84 1sh4 h GLU 10 CO -0.00 -0.26 -0.20 1.49 -0.73 0.00 0.00 179.01 179.31 1sh4 h GLU 11 N -0.40 -0.50 -0.89 1.92 4.57 -0.19 -2.78 114.58 116.32 1sh4 h GLU 11 Ca 0.09 0.03 0.18 0.00 -1.18 0.00 0.00 59.36 58.49 1sh4 h GLU 11 Cb 0.55 0.11 -0.11 0.00 -0.16 0.00 0.00 28.75 29.15 1sh4 h GLU 11 CO -0.35 -0.33 0.45 0.82 -1.18 0.00 0.00 179.01 178.42 1sh4 h ILE 12 N -0.52 0.65 -0.05 2.32 2.04 -0.93 0.10 117.51 121.12 1sh4 h ILE 12 Ca -0.04 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.63 1sh4 h ILE 12 Cb 0.41 0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1sh4 h ILE 12 CO 0.06 0.11 0.05 1.56 0.00 0.00 0.00 178.15 179.93 1sh4 h GLN 13 N 0.58 0.00 0.00 2.37 1.08 0.18 -0.33 115.11 118.99 1sh4 h GLN 13 Ca 0.51 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.71 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 -0.42 0.00 0.00 0.87 -0.95 0.00 0.00 178.83 178.33 1sh4 h LYS 14 N 0.00 0.00 -3.53 1.46 6.56 -0.71 -3.41 116.57 116.95 1sh4 h LYS 14 Ca 0.02 0.00 -0.74 0.00 -1.06 0.00 0.00 60.65 58.87 1sh4 h LYS 14 Cb 0.12 0.00 -0.32 0.00 -0.57 0.00 0.00 32.23 31.46 1sh4 h LYS 14 CO -0.00 0.00 -0.01 -1.01 -2.06 0.00 0.00 179.45 176.37 1sh4 s HIS 15 N -3.19 3.83 0.00 -1.35 3.76 -0.13 -4.70 115.29 113.50 1sh4 s HIS 15 Ca 0.08 -2.68 0.03 0.00 -0.15 0.00 0.00 55.06 52.35 1sh4 s HIS 15 Cb 0.11 -3.47 0.06 0.00 1.11 0.00 0.00 32.58 30.38 1sh4 s HIS 15 CO 0.54 -0.86 0.83 0.27 -0.85 0.00 0.00 174.74 174.68 1sh4 n ASN 16 N 3.00 -0.21 -1.62 1.40 0.23 0.03 -0.62 115.26 117.47 1sh4 n ASN 16 Ca 0.17 -1.62 -0.05 0.00 -0.53 0.00 0.00 54.58 52.56 1sh4 n ASN 16 Cb 0.40 0.03 -0.01 0.00 -2.08 0.00 0.00 39.78 38.11 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 0.07 -0.35 -0.50 0.53 3.02 -0.65 -4.93 115.26 112.45 1sh4 n ASN 17 Ca -0.09 -1.60 0.42 0.00 -0.03 0.00 0.00 54.58 53.29 1sh4 n ASN 17 Cb 0.68 0.69 0.76 0.00 -0.61 0.00 0.00 39.78 41.30 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 0.60 0.06 -0.82 6.41 0.02 -1.99 0.25 113.55 118.09 1sh4 h SER 18 Ca -0.08 0.02 0.08 0.00 -0.84 0.00 0.00 61.79 60.98 1sh4 h SER 18 Cb 0.36 0.02 -0.10 0.00 0.14 0.00 0.00 62.40 62.81 1sh4 h SER 18 CO 0.11 -0.02 -0.45 1.17 -1.14 0.00 0.00 176.83 176.50 1sh4 n LYS 19 N -4.17 -0.33 0.00 3.45 3.00 -1.26 -4.90 118.16 113.95 1sh4 n LYS 19 Ca 0.35 1.24 0.00 0.00 -0.00 0.00 0.00 58.31 59.90 1sh4 n LYS 19 Cb 1.57 -1.82 0.00 0.00 0.00 0.00 0.00 35.03 34.77 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 -5.06 0.00 -4.08 3.14 2.88 0.90 -5.05 113.62 106.35 1sh4 n SER 20 Ca 0.03 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.24 1sh4 n SER 20 Cb 0.24 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.56 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 -2.00 2.65 0.43 2.46 2.01 -1.25 -0.79 115.64 119.16 1sh4 s THR 21 Ca 0.00 -2.04 0.04 0.00 0.31 0.00 0.00 61.69 60.00 1sh4 s THR 21 Cb 0.00 -2.80 0.01 0.00 0.01 0.00 0.00 72.50 69.71 1sh4 s THR 21 CO 0.00 -0.49 0.62 0.26 -0.69 0.00 0.00 174.62 174.32 1sh4 s TRP 22 N 1.04 3.02 0.27 4.92 0.52 0.21 -0.65 118.94 128.28 1sh4 s TRP 22 Ca 0.05 -0.08 -0.21 0.00 0.02 0.00 0.00 56.10 55.89 1sh4 s TRP 22 Cb -0.20 -2.34 0.02 0.00 -1.15 0.00 0.00 33.47 29.80 1sh4 s TRP 22 CO -0.06 -0.39 0.70 -0.48 0.02 0.00 0.00 176.95 176.74 1sh4 s LEU 23 N -4.45 -0.23 -0.19 2.99 2.34 4.22 -0.11 118.68 123.24 1sh4 s LEU 23 Ca 0.51 -0.61 0.01 0.00 0.06 0.00 0.00 54.13 54.09 1sh4 s LEU 23 Cb -0.10 2.67 0.02 0.00 -0.56 0.00 0.00 46.19 48.22 1sh4 s LEU 23 CO 0.35 -1.33 -0.18 -0.63 -1.06 0.00 0.00 176.35 173.50 1sh4 s ILE 24 N -3.92 2.13 -0.31 1.48 1.01 -1.10 -0.54 121.20 119.95 1sh4 s ILE 24 Ca 0.11 -1.02 -0.03 0.00 0.00 0.00 0.00 60.65 59.72 1sh4 s ILE 24 Cb -0.06 -1.95 0.05 0.00 0.01 0.00 0.00 42.46 40.51 1sh4 s ILE 24 CO 0.07 0.46 0.03 -0.76 0.00 0.00 0.00 174.94 174.73 1sh4 s LEU 25 N 1.27 4.00 -1.02 2.97 1.43 -0.14 -0.66 118.68 126.54 1sh4 s LEU 25 Ca 0.03 -1.22 -0.00 0.00 -1.03 0.00 0.00 54.13 51.91 1sh4 s LEU 25 Cb -0.14 -1.76 0.00 0.00 0.03 0.00 0.00 46.19 44.32 1sh4 s LEU 25 CO -0.12 -0.28 0.85 1.41 0.23 0.00 0.00 176.35 178.45 1sh4 n HIS 26 N 4.68 -1.86 0.00 0.29 8.25 -1.26 -1.99 115.22 123.33 1sh4 n HIS 26 Ca -0.13 0.79 0.00 0.00 -0.26 0.00 0.00 57.72 58.12 1sh4 n HIS 26 Cb 0.44 -4.60 0.00 0.00 1.12 0.00 0.00 29.99 26.94 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 -3.66 0.00 -2.82 4.41 4.01 -1.26 -4.97 117.16 112.87 1sh4 n TYR 27 Ca -0.24 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.09 1sh4 n TYR 27 Cb 0.64 -0.18 -0.05 0.00 -0.31 0.00 0.00 39.34 39.45 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 4.62 0.06 -0.72 1.02 -0.84 -0.69 119.74 123.19 1sh4 s LYS 28 Ca 0.00 1.31 -0.14 0.00 0.02 0.00 0.00 55.97 57.16 1sh4 s LYS 28 Cb 0.00 -3.38 -0.06 0.00 -0.52 0.00 0.00 37.83 33.87 1sh4 s LYS 28 CO 0.00 0.23 0.46 0.08 -0.92 0.00 0.00 175.35 175.19 1sh4 s VAL 29 N 0.02 4.97 0.12 3.17 1.01 0.57 -0.97 120.40 129.31 1sh4 s VAL 29 Ca 0.44 0.78 0.10 0.00 0.00 0.00 0.00 61.98 63.30 1sh4 s VAL 29 Cb -0.22 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 1sh4 s VAL 29 CO 0.27 0.42 -0.21 -0.31 0.00 0.00 0.00 175.10 175.27 1sh4 s TYR 30 N -1.26 2.45 -0.15 5.22 1.51 0.30 -0.53 117.35 124.89 1sh4 s TYR 30 Ca 0.30 -0.31 -0.03 0.00 -1.01 0.00 0.00 57.07 56.03 1sh4 s TYR 30 Cb -0.16 -1.31 0.05 0.00 -0.11 0.00 0.00 41.96 40.43 1sh4 s TYR 30 CO 0.17 0.37 0.04 0.34 -1.11 0.00 0.00 175.55 175.35 1sh4 s ASP 31 N -2.12 2.32 -0.08 2.29 -1.08 0.07 -2.36 116.67 115.71 1sh4 s ASP 31 Ca 0.16 -0.52 0.12 0.00 -0.52 0.00 0.00 52.55 51.79 1sh4 s ASP 31 Cb -0.10 -0.47 0.18 0.00 -1.46 0.00 0.00 42.92 41.07 1sh4 s ASP 31 CO 0.09 -0.28 1.07 0.18 0.52 0.00 0.00 175.17 176.75 1sh4 n LEU 32 N 5.13 1.63 -0.36 -1.34 4.77 0.18 -4.78 117.00 122.22 1sh4 n LEU 32 Ca -0.08 -2.34 0.38 0.00 -0.03 0.00 0.00 56.01 53.94 1sh4 n LEU 32 Cb 0.48 -0.26 0.73 0.00 -2.33 0.00 0.00 43.42 42.04 1sh4 n LEU 32 CO 0.11 0.55 1.35 0.74 -1.33 0.00 0.00 177.39 178.81 1sh4 h THR 33 N 1.90 0.25 0.06 -5.08 2.02 -1.94 0.36 112.91 110.48 1sh4 h THR 33 Ca 0.00 0.00 -0.34 0.00 0.77 0.00 0.00 66.41 66.84 1sh4 h THR 33 Cb 1.06 0.28 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 1sh4 h THR 33 CO 0.00 0.00 -1.96 0.29 0.37 0.00 0.00 175.52 174.22 1sh4 n LYS 34 N -3.95 0.70 0.27 6.66 5.02 -1.26 -4.29 118.16 121.31 1sh4 n LYS 34 Ca 0.28 0.25 0.11 0.00 -2.02 0.00 0.00 58.31 56.93 1sh4 n LYS 34 Cb 1.42 -1.71 0.73 0.00 -0.02 0.00 0.00 35.03 35.44 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 0.04 0.00 -0.59 2.13 3.57 -0.69 -0.06 116.94 121.34 1sh4 h PHE 35 Ca -0.40 0.00 0.16 0.00 3.53 0.00 0.00 57.97 61.26 1sh4 h PHE 35 Cb 2.03 0.00 -0.11 0.00 2.79 0.00 0.00 35.95 40.66 1sh4 h PHE 35 CO 0.04 0.06 -0.01 1.28 -2.23 0.00 0.00 178.31 177.45 1sh4 n LEU 36 N -4.07 -0.09 0.23 0.59 4.77 -0.85 -0.36 117.00 117.22 1sh4 n LEU 36 Ca -0.03 1.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.83 1sh4 n LEU 36 Cb 0.15 -0.36 -0.07 0.00 -2.33 0.00 0.00 43.42 40.81 1sh4 n LEU 36 CO 0.31 -1.01 0.44 -0.08 -1.33 0.00 0.00 177.39 175.72 1sh4 h GLU 37 N 0.00 -0.61 -0.15 3.23 4.22 -1.27 -2.20 114.58 117.80 1sh4 h GLU 37 Ca 0.35 0.04 -0.13 0.00 0.08 0.00 0.00 59.36 59.70 1sh4 h GLU 37 Cb 0.69 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.08 1sh4 h GLU 37 CO -0.56 -0.30 -0.42 1.49 -2.18 0.00 0.00 179.01 177.04 1sh4 h GLU 38 N -1.00 0.54 -6.74 1.92 4.81 -1.25 -3.47 114.58 109.39 1sh4 h GLU 38 Ca -0.06 -0.39 -0.53 0.00 -0.13 0.00 0.00 59.36 58.25 1sh4 h GLU 38 Cb 0.58 0.06 0.07 0.00 0.63 0.00 0.00 28.75 30.10 1sh4 h GLU 38 CO 0.11 1.00 0.93 -1.58 -0.73 0.00 0.00 179.01 178.74 1sh4 s HIS 39 N -3.88 2.82 0.62 0.92 2.46 0.51 -4.90 115.29 113.84 1sh4 s HIS 39 Ca -0.13 0.62 0.34 0.00 0.47 0.00 0.00 55.06 56.37 1sh4 s HIS 39 Cb 0.06 -4.09 2.00 0.00 -0.13 0.00 0.00 32.58 30.43 1sh4 s HIS 39 CO 0.82 -3.83 2.28 -1.00 -2.47 0.00 0.00 174.74 170.54 1sh4 h PRO 40 N 5.62 0.00 -0.12 2.88 0.13 -1.90 0.10 132.00 138.70 1sh4 h PRO 40 Ca -0.45 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1sh4 h PRO 40 Cb 1.21 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.34 1sh4 h PRO 40 CO 0.86 0.00 0.14 0.78 -0.23 0.00 0.00 178.00 179.55 1sh4 h GLY 41 N 0.00 0.00 0.00 1.56 0.00 -1.95 -3.49 103.07 99.19 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 -0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 1sh4 n GLY 42 N -1.38 -1.14 0.19 4.60 0.00 0.36 -4.04 105.19 103.77 1sh4 n GLY 42 Ca 0.00 -1.61 -0.15 0.00 0.00 0.00 0.00 46.02 44.27 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 0.63 -0.66 1.61 5.08 -1.68 -3.34 114.58 116.22 1sh4 h GLU 43 Ca 0.00 -0.41 0.12 0.00 -1.00 0.00 0.00 59.36 58.07 1sh4 h GLU 43 Cb 0.00 0.05 -0.09 0.00 0.50 0.00 0.00 28.75 29.21 1sh4 h GLU 43 CO 0.00 1.03 0.19 0.93 -1.00 0.00 0.00 179.01 180.16 1sh4 h GLU 44 N 0.31 0.32 0.00 2.33 4.39 -1.88 0.26 114.58 120.31 1sh4 h GLU 44 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1sh4 h GLU 44 Cb 1.02 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.60 1sh4 h GLU 44 CO 0.09 0.21 0.00 1.25 -1.16 0.00 0.00 179.01 179.40 1sh4 h HIS 45 N 0.33 0.00 0.17 4.33 2.76 -1.70 0.32 115.15 121.35 1sh4 h HIS 45 Ca 0.35 0.00 -0.34 0.00 -2.20 0.00 0.00 60.37 58.19 1sh4 h HIS 45 Cb 0.53 0.00 0.01 0.00 1.55 0.00 0.00 27.41 29.50 1sh4 h HIS 45 CO -0.22 0.00 -1.67 -0.07 -1.30 0.00 0.00 177.93 174.67 1sh4 h LEU 46 N 0.00 0.56 -0.30 0.26 3.38 -1.12 -3.35 115.31 114.74 1sh4 h LEU 46 Ca 0.00 -0.80 -0.15 0.00 0.09 0.00 0.00 57.88 57.03 1sh4 h LEU 46 Cb 0.78 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1sh4 h LEU 46 CO 0.00 1.67 -0.38 -0.09 0.09 0.00 0.00 178.44 179.73 1sh4 h ARG 47 N 0.10 0.79 -0.96 1.13 2.43 -0.03 0.17 114.38 118.01 1sh4 h ARG 47 Ca -0.31 -0.45 0.14 0.00 -0.81 0.00 0.00 59.98 58.56 1sh4 h ARG 47 Cb 2.08 0.03 -0.15 0.00 -0.42 0.00 0.00 29.97 31.51 1sh4 h ARG 47 CO 0.18 1.08 -0.40 -1.91 -1.51 0.00 0.00 179.97 177.41 1sh4 n GLU 48 N -4.16 -0.25 0.07 0.20 2.13 0.11 -1.60 120.64 117.14 1sh4 n GLU 48 Ca -0.04 1.48 -0.16 0.00 0.66 0.00 0.00 57.16 59.10 1sh4 n GLU 48 Cb 0.53 -2.19 -0.07 0.00 0.27 0.00 0.00 31.44 29.98 1sh4 n GLU 48 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 1sh4 h GLN 49 N 0.00 0.46 -6.45 5.31 1.08 -1.60 -3.48 115.11 110.42 1sh4 h GLN 49 Ca 0.31 -0.53 -0.58 0.00 -1.45 0.00 0.00 58.65 56.40 1sh4 h GLN 49 Cb 0.56 0.16 0.18 0.00 -0.05 0.00 0.00 27.48 28.32 1sh4 h GLN 49 CO -0.95 1.18 -0.54 0.00 -0.95 0.00 0.00 178.83 177.57 1sh4 n ALA 50 N -2.57 -1.61 0.00 3.87 0.00 0.58 -3.99 120.51 116.79 1sh4 n ALA 50 Ca -0.08 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1sh4 n ALA 50 Cb 0.88 -1.76 0.00 0.00 0.00 0.00 0.00 19.45 18.58 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 0.75 0.00 0.00 0.00 0.84 -4.76 105.19 103.93 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 -1.68 -0.17 0.00 -0.02 0.00 -1.26 -3.36 105.19 98.70 1sh4 n GLY 52 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 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 1.48 0.00 -0.29 1.61 -0.08 -1.25 -2.84 116.55 115.17 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 0.00 2.12 0.02 -1.67 0.00 0.16 -4.79 120.51 116.35 1sh4 n ALA 54 Ca 0.00 -1.76 -0.13 0.00 0.00 0.00 0.00 53.44 51.55 1sh4 n ALA 54 Cb 0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 19.45 18.92 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 3.66 1.22 0.14 0.00 2.02 -1.78 0.42 112.91 118.59 1sh4 h THR 55 Ca 0.00 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 1sh4 h THR 55 Cb 1.21 1.77 -0.00 0.00 -1.74 0.00 0.00 68.15 69.39 1sh4 h THR 55 CO 0.00 0.21 -0.07 -0.08 0.37 0.00 0.00 175.52 175.94 1sh4 h GLU 56 N -0.40 -0.19 -0.44 6.66 4.81 -1.89 -2.26 114.58 120.87 1sh4 h GLU 56 Ca -0.00 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1sh4 h GLU 56 Cb 0.37 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.78 1sh4 h GLU 56 CO 0.01 -0.13 0.21 -0.97 -0.73 0.00 0.00 179.01 177.41 1sh4 h ASN 57 N -0.20 0.58 -0.87 1.04 -0.73 -1.91 0.14 115.58 113.63 1sh4 h ASN 57 Ca -0.02 -0.13 0.17 0.00 1.87 0.00 0.00 56.30 58.20 1sh4 h ASN 57 Cb 0.16 -0.15 -0.06 0.00 0.27 0.00 0.00 38.32 38.54 1sh4 h ASN 57 CO 0.02 0.54 0.57 0.15 -0.37 0.00 0.00 177.43 178.34 1sh4 h PHE 58 N 0.57 0.62 0.03 0.67 3.57 -0.76 -1.25 116.94 120.38 1sh4 h PHE 58 Ca 0.15 0.02 -0.38 0.00 3.53 0.00 0.00 57.97 61.29 1sh4 h PHE 58 Cb 0.11 -0.19 -0.06 0.00 2.79 0.00 0.00 35.95 38.61 1sh4 h PHE 58 CO -0.01 0.20 -2.35 -1.91 -2.23 0.00 0.00 178.31 172.00 1sh4 n GLU 59 N -4.53 0.68 0.01 1.11 4.07 -0.86 0.26 120.64 121.38 1sh4 n GLU 59 Ca 0.18 0.18 -0.10 0.00 -0.06 0.00 0.00 57.16 57.36 1sh4 n GLU 59 Cb 0.59 -1.57 -0.04 0.00 -0.06 0.00 0.00 31.44 30.37 1sh4 n GLU 59 CO 0.00 0.00 0.00 0.22 -0.06 0.00 0.00 177.13 177.29 1sh4 h ASP 60 N -0.01 -0.35 0.39 4.31 3.58 -0.69 -2.17 116.42 121.48 1sh4 h ASP 60 Ca -0.54 0.07 -0.02 0.00 0.42 0.00 0.00 57.03 56.95 1sh4 h ASP 60 Cb 1.92 0.17 0.00 0.00 1.72 0.00 0.00 39.33 43.15 1sh4 h ASP 60 CO -0.05 -0.16 -0.19 0.58 -2.88 0.00 0.00 179.24 176.54 1sh4 h VAL 61 N -0.15 0.60 -1.09 2.25 2.07 -1.40 -3.50 116.25 115.03 1sh4 h VAL 61 Ca 0.07 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.23 1sh4 h VAL 61 Cb 0.25 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1sh4 h VAL 61 CO -0.18 0.07 -0.30 0.61 0.02 0.00 0.00 177.57 177.79 1sh4 n GLY 62 N -0.69 -3.12 0.00 2.17 0.00 0.14 -5.08 105.19 98.62 1sh4 n GLY 62 Ca -0.10 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.97 0.00 0.00 1.61 8.25 -1.25 -4.89 115.22 116.96 1sh4 n HIS 63 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1sh4 n HIS 63 Cb 0.15 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.17 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 -0.49 0.00 -0.06 0.41 7.64 -1.26 0.79 113.62 120.65 1sh4 n SER 64 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 58.87 59.79 1sh4 n SER 64 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 0.24 -0.60 0.44 1.35 -2.02 -0.90 112.91 111.42 1sh4 h THR 65 Ca 0.00 0.00 0.09 0.00 -0.55 0.00 0.00 66.41 65.95 1sh4 h THR 65 Cb 0.00 0.24 -0.09 0.00 -1.73 0.00 0.00 68.15 66.57 1sh4 h THR 65 CO 0.00 0.00 -0.24 -0.67 -0.25 0.00 0.00 175.52 174.36 1sh4 n ASP 66 N -5.41 -0.41 -0.08 5.36 -0.08 -1.26 -0.22 116.55 114.44 1sh4 n ASP 66 Ca -0.01 1.04 -0.14 0.00 -1.51 0.00 0.00 54.79 54.17 1sh4 n ASP 66 Cb 0.33 -0.23 -0.05 0.00 2.34 0.00 0.00 41.12 43.52 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 0.77 0.42 -0.88 -1.67 0.00 -1.67 0.86 119.26 117.10 1sh4 h ALA 67 Ca 0.20 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.66 1sh4 h ALA 67 Cb 0.35 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1sh4 h ALA 67 CO -0.59 0.53 0.57 0.00 0.00 0.00 0.00 179.25 179.76 1sh4 h ARG 68 N 0.51 1.17 0.08 0.00 -0.00 0.31 0.13 114.38 116.58 1sh4 h ARG 68 Ca 0.03 -0.08 -0.00 0.00 -0.50 0.00 0.00 59.98 59.43 1sh4 h ARG 68 Cb 1.00 -0.26 0.00 0.00 0.00 0.00 0.00 29.97 30.71 1sh4 h ARG 68 CO 0.09 0.78 -0.04 0.93 0.00 0.00 0.00 179.97 181.74 1sh4 h GLU 69 N 1.20 -0.10 -0.86 0.04 4.39 -0.41 -2.81 114.58 116.03 1sh4 h GLU 69 Ca 0.32 0.01 0.22 0.00 0.34 0.00 0.00 59.36 60.24 1sh4 h GLU 69 Cb -0.12 0.02 -0.13 0.00 -0.10 0.00 0.00 28.75 28.42 1sh4 h GLU 69 CO -0.07 0.22 0.28 1.25 -1.16 0.00 0.00 179.01 179.53 1sh4 h LEU 70 N -0.42 0.11 -1.33 1.33 7.12 -0.55 -1.40 115.31 120.16 1sh4 h LEU 70 Ca -0.01 0.17 0.24 0.00 0.13 0.00 0.00 57.88 58.41 1sh4 h LEU 70 Cb 0.36 0.21 -0.09 0.00 -0.53 0.00 0.00 40.66 40.62 1sh4 h LEU 70 CO 0.02 -0.09 0.64 0.77 -0.13 0.00 0.00 178.44 179.65 1sh4 h SER 71 N 0.28 0.50 -1.01 1.25 4.64 -0.46 0.20 113.55 118.95 1sh4 h SER 71 Ca 0.53 0.08 0.06 0.00 -0.47 0.00 0.00 61.79 61.99 1sh4 h SER 71 Cb 1.03 -0.01 -0.07 0.00 -0.31 0.00 0.00 62.40 63.04 1sh4 h SER 71 CO -0.59 0.14 0.65 0.11 -0.87 0.00 0.00 176.83 176.27 1sh4 h LYS 72 N 0.47 1.17 -0.26 4.77 1.57 -1.29 0.32 116.57 123.32 1sh4 h LYS 72 Ca 0.56 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 1sh4 h LYS 72 Cb 1.31 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 33.36 1sh4 h LYS 72 CO -0.29 0.78 0.00 -2.37 -0.57 0.00 0.00 179.45 177.00 1sh4 n THR 73 N -4.48 0.34 -0.02 -0.16 5.66 0.67 -3.60 114.28 112.69 1sh4 n THR 73 Ca 0.15 -0.40 0.01 0.00 -3.05 0.00 0.00 64.05 60.76 1sh4 n THR 73 Cb 0.16 0.28 -0.06 0.00 -1.55 0.00 0.00 70.33 69.16 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 0.40 0.00 -1.61 1.09 3.72 -0.37 -5.03 117.46 115.66 1sh4 n PHE 74 Ca 0.14 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.19 1sh4 n PHE 74 Cb 0.30 -0.25 0.07 0.00 -0.94 0.00 0.00 39.48 38.67 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 -2.37 2.47 -0.00 4.37 1.01 0.98 -0.75 121.20 126.90 1sh4 s ILE 75 Ca -0.03 0.24 0.00 0.00 0.00 0.00 0.00 60.65 60.87 1sh4 s ILE 75 Cb 0.04 -2.87 -0.00 0.00 0.01 0.00 0.00 42.46 39.63 1sh4 s ILE 75 CO 0.30 -0.11 0.00 2.30 0.00 0.00 0.00 174.94 177.44 1sh4 n ILE 76 N -2.40 0.00 0.00 2.92 -5.35 0.30 -4.76 119.36 110.07 1sh4 n ILE 76 Ca 0.13 -0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.61 1sh4 n ILE 76 Cb 0.50 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.71 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 2.55 -0.61 3.17 3.28 0.00 -1.06 -4.57 105.19 107.95 1sh4 n GLY 77 Ca -0.00 0.24 -0.10 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 0.85 0.00 1.61 2.02 -1.26 -0.31 118.70 121.61 1sh4 s GLU 78 Ca 0.00 -1.35 0.00 0.00 0.02 0.00 0.00 54.97 53.64 1sh4 s GLU 78 Cb 0.00 -0.13 0.00 0.00 0.10 0.00 0.00 34.13 34.10 1sh4 s GLU 78 CO 0.00 -0.06 0.43 1.47 0.02 0.00 0.00 175.26 177.12 1sh4 n LEU 79 N -0.05 0.26 -0.98 1.80 -0.00 0.13 -0.70 117.00 117.46 1sh4 n LEU 79 Ca -0.11 -0.13 0.00 0.00 -0.00 0.00 0.00 56.01 55.77 1sh4 n LEU 79 Cb 0.61 -0.13 0.00 0.00 -0.00 0.00 0.00 43.42 43.90 1sh4 n LEU 79 CO 0.30 0.07 -0.29 1.57 -0.00 0.00 0.00 177.39 179.04 1sh4 n HIS 80 N -0.17 -2.69 0.53 1.47 -0.00 -1.22 -4.22 115.22 108.92 1sh4 n HIS 80 Ca 0.00 1.44 0.11 0.00 -0.00 0.00 0.00 57.72 59.28 1sh4 n HIS 80 Cb 0.07 -2.50 0.45 0.00 -0.00 0.00 0.00 29.99 28.01 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 -1.42 0.16 -0.82 1.57 -0.04 -1.26 -3.41 135.00 129.78 1sh4 n PRO 81 Ca 0.00 0.30 -0.16 0.00 -0.04 0.00 0.00 63.50 63.60 1sh4 n PRO 81 Cb 0.11 -1.75 0.12 0.00 -0.04 0.00 0.00 33.50 31.94 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 -2.04 3.64 0.00 3.54 2.03 -1.26 -3.91 116.55 118.54 1sh4 n ASP 82 Ca 0.04 -3.07 0.00 0.00 0.52 0.00 0.00 54.79 52.27 1sh4 n ASP 82 Cb 0.28 -0.74 0.00 0.00 -0.72 0.00 0.00 41.12 39.94 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 -0.57 0.00 0.00 1.67 -0.08 -1.24 -5.04 116.55 111.29 1sh4 n ASP 83 Ca 0.40 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.68 1sh4 n ASP 83 Cb 1.25 0.07 0.00 0.00 2.34 0.00 0.00 41.12 44.78 1sh4 n ASP 83 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86