#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sh4 n VAL 4 N 0.00 0.68 0.60 0.00 3.14 -1.26 -4.94 118.33 116.55 1sh4 n VAL 4 Ca 0.00 -0.17 0.11 0.00 -2.96 0.00 0.00 64.34 61.32 1sh4 n VAL 4 Cb 0.00 -1.96 -0.01 0.00 -1.06 0.00 0.00 33.84 30.81 1sh4 n VAL 4 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 1sh4 n LYS 5 N 2.75 0.26 -1.15 1.45 2.85 -1.26 -5.06 118.16 118.01 1sh4 n LYS 5 Ca 0.11 -0.02 0.08 0.00 -1.05 0.00 0.00 58.31 57.43 1sh4 n LYS 5 Cb 0.36 -1.56 -0.05 0.00 -0.65 0.00 0.00 35.03 33.13 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 -1.89 -3.11 -3.62 5.58 4.01 -1.26 -5.00 117.16 111.86 1sh4 n TYR 6 Ca 0.02 1.71 -0.22 0.00 -0.16 0.00 0.00 57.90 59.25 1sh4 n TYR 6 Cb 0.43 -2.79 -0.17 0.00 -0.31 0.00 0.00 39.34 36.50 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 0.03 0.43 -0.72 1.51 0.11 -4.90 117.35 109.38 1sh4 s TYR 7 Ca 0.00 0.07 -0.26 0.00 -1.01 0.00 0.00 57.07 55.87 1sh4 s TYR 7 Cb 0.00 -0.52 -0.09 0.00 -0.11 0.00 0.00 41.96 41.24 1sh4 s TYR 7 CO 0.00 -0.39 1.42 0.95 -1.11 0.00 0.00 175.55 176.42 1sh4 s THR 8 N 2.20 2.15 0.39 -0.71 -4.23 -1.26 -3.66 115.64 110.51 1sh4 s THR 8 Ca 0.04 0.14 0.21 0.00 -1.18 0.00 0.00 61.69 60.90 1sh4 s THR 8 Cb -0.14 -3.08 0.40 0.00 1.34 0.00 0.00 72.50 71.01 1sh4 s THR 8 CO -0.07 0.02 1.67 0.25 -0.54 0.00 0.00 174.62 175.95 1sh4 h LEU 9 N 2.52 0.40 -0.41 4.79 6.46 -1.95 0.59 115.31 127.70 1sh4 h LEU 9 Ca -0.51 0.15 0.08 0.00 -0.12 0.00 0.00 57.88 57.48 1sh4 h LEU 9 Cb 1.26 0.11 -0.09 0.00 -0.73 0.00 0.00 40.66 41.21 1sh4 h LEU 9 CO 0.62 -0.12 -0.37 -0.08 -0.62 0.00 0.00 178.44 177.87 1sh4 h GLU 10 N 0.24 -0.27 0.29 1.25 4.81 -1.95 0.49 114.58 119.44 1sh4 h GLU 10 Ca 0.74 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.98 1sh4 h GLU 10 Cb 1.98 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 31.41 1sh4 h GLU 10 CO -0.48 -0.18 -0.18 1.49 -0.73 0.00 0.00 179.01 178.93 1sh4 h GLU 11 N -0.28 -0.44 -0.91 1.92 4.81 -0.25 -2.87 114.58 116.56 1sh4 h GLU 11 Ca 0.16 0.03 0.19 0.00 -0.13 0.00 0.00 59.36 59.61 1sh4 h GLU 11 Cb 0.56 0.10 -0.11 0.00 0.63 0.00 0.00 28.75 29.93 1sh4 h GLU 11 CO -0.56 -0.29 0.48 0.82 -0.73 0.00 0.00 179.01 178.73 1sh4 h ILE 12 N -0.45 0.64 -0.38 2.32 2.04 -0.50 0.23 117.51 121.40 1sh4 h ILE 12 Ca -0.03 -0.20 0.07 0.00 1.00 0.00 0.00 64.86 65.70 1sh4 h ILE 12 Cb 0.38 -0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.43 1sh4 h ILE 12 CO 0.03 0.11 0.26 1.56 0.00 0.00 0.00 178.15 180.11 1sh4 h GLN 13 N 0.60 0.19 -0.00 2.37 1.08 0.20 -1.04 115.11 118.50 1sh4 h GLN 13 Ca 0.53 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.72 1sh4 h GLN 13 Cb 0.87 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.26 1sh4 h GLN 13 CO -0.42 0.13 -0.03 1.63 -0.95 0.00 0.00 178.83 179.19 1sh4 n LYS 14 N -4.47 0.34 -3.69 1.46 5.02 0.79 -4.28 118.16 113.34 1sh4 n LYS 14 Ca 0.05 -0.02 -0.35 0.00 -2.02 0.00 0.00 58.31 55.97 1sh4 n LYS 14 Cb 0.31 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.74 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 -2.68 3.78 0.00 2.13 3.76 -0.39 -4.79 115.29 117.10 1sh4 s HIS 15 Ca 0.25 -3.05 0.02 0.00 -0.15 0.00 0.00 55.06 52.13 1sh4 s HIS 15 Cb 0.20 -3.15 0.03 0.00 1.11 0.00 0.00 32.58 30.78 1sh4 s HIS 15 CO 0.49 -0.72 0.76 0.27 -0.85 0.00 0.00 174.74 174.69 1sh4 n ASN 16 N 2.41 -0.08 -1.08 1.40 6.94 0.13 -0.44 115.26 124.54 1sh4 n ASN 16 Ca 0.19 -1.50 -0.00 0.00 -0.02 0.00 0.00 54.58 53.25 1sh4 n ASN 16 Cb 0.37 -0.03 -0.00 0.00 -2.36 0.00 0.00 39.78 37.76 1sh4 n ASN 16 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 1sh4 n ASN 17 N 0.04 0.04 -0.44 0.53 3.02 -0.02 -4.83 115.26 113.59 1sh4 n ASN 17 Ca -0.04 -1.05 0.36 0.00 -0.03 0.00 0.00 54.58 53.83 1sh4 n ASN 17 Cb 0.64 0.04 0.66 0.00 -0.61 0.00 0.00 39.78 40.50 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 0.04 0.22 -0.31 6.41 0.02 -2.00 0.78 113.55 118.72 1sh4 h SER 18 Ca -0.01 0.09 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1sh4 h SER 18 Cb 0.03 0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.61 1sh4 h SER 18 CO 0.01 -0.09 -0.18 1.17 -1.14 0.00 0.00 176.83 176.59 1sh4 n LYS 19 N -4.53 -0.14 -3.62 3.45 3.00 -1.26 -4.88 118.16 110.19 1sh4 n LYS 19 Ca 0.35 0.76 -0.04 0.00 -0.00 0.00 0.00 58.31 59.37 1sh4 n LYS 19 Cb 1.39 -1.12 -0.03 0.00 0.00 0.00 0.00 35.03 35.27 1sh4 n LYS 19 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.40 176.28 1sh4 s SER 20 N -4.18 -0.11 -0.33 3.14 0.01 0.27 -5.03 113.70 107.47 1sh4 s SER 20 Ca -0.04 0.06 0.02 0.00 1.31 0.00 0.00 55.95 57.31 1sh4 s SER 20 Cb 0.03 0.10 0.10 0.00 0.21 0.00 0.00 66.02 66.46 1sh4 s SER 20 CO 0.19 -0.14 0.07 -0.89 0.41 0.00 0.00 173.24 172.89 1sh4 s THR 21 N -1.67 1.79 -0.13 1.44 2.01 -1.26 -0.70 115.64 117.12 1sh4 s THR 21 Ca 0.08 -2.04 -0.07 0.00 0.31 0.00 0.00 61.69 59.97 1sh4 s THR 21 Cb -0.01 -2.33 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 1sh4 s THR 21 CO -0.05 -0.63 0.13 0.26 -0.69 0.00 0.00 174.62 173.63 1sh4 s TRP 22 N 1.12 3.52 0.07 4.92 0.52 0.41 -1.03 118.94 128.48 1sh4 s TRP 22 Ca 0.11 0.45 -0.01 0.00 0.02 0.00 0.00 56.10 56.67 1sh4 s TRP 22 Cb -0.19 -1.98 -0.04 0.00 -1.15 0.00 0.00 33.47 30.12 1sh4 s TRP 22 CO -0.14 0.62 -0.01 -0.48 0.02 0.00 0.00 176.95 176.96 1sh4 s LEU 23 N -0.71 2.31 -0.20 2.99 0.05 6.51 0.71 118.68 130.34 1sh4 s LEU 23 Ca 0.13 -1.05 -0.02 0.00 0.05 0.00 0.00 54.13 53.23 1sh4 s LEU 23 Cb -0.12 0.22 -0.01 0.00 -2.05 0.00 0.00 46.19 44.23 1sh4 s LEU 23 CO 0.03 -0.63 -0.08 -0.63 -0.55 0.00 0.00 176.35 174.49 1sh4 s ILE 24 N -3.94 3.14 -0.44 1.48 1.01 -1.13 -0.10 121.20 121.21 1sh4 s ILE 24 Ca 0.12 -0.58 0.02 0.00 0.00 0.00 0.00 60.65 60.20 1sh4 s ILE 24 Cb 0.08 -2.40 0.12 0.00 0.01 0.00 0.00 42.46 40.27 1sh4 s ILE 24 CO -0.07 0.46 0.19 -0.76 0.00 0.00 0.00 174.94 174.76 1sh4 s LEU 25 N 1.20 4.76 -0.64 2.97 1.43 -0.14 -0.64 118.68 127.62 1sh4 s LEU 25 Ca 0.02 -2.49 -0.03 0.00 -1.03 0.00 0.00 54.13 50.60 1sh4 s LEU 25 Cb -0.14 -1.69 -0.04 0.00 0.03 0.00 0.00 46.19 44.35 1sh4 s LEU 25 CO -0.03 -0.36 0.57 1.41 0.23 0.00 0.00 176.35 178.17 1sh4 n HIS 26 N 3.86 -1.64 0.00 0.29 8.25 -1.26 -3.24 115.22 121.48 1sh4 n HIS 26 Ca 0.04 0.58 0.00 0.00 -0.26 0.00 0.00 57.72 58.08 1sh4 n HIS 26 Cb 0.38 -3.49 0.00 0.00 1.12 0.00 0.00 29.99 28.00 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 -2.43 0.00 -2.61 4.41 4.01 -1.26 -4.95 117.16 114.32 1sh4 n TYR 27 Ca -0.04 0.00 -0.40 0.00 -0.16 0.00 0.00 57.90 57.30 1sh4 n TYR 27 Cb 0.56 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.54 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 4.75 0.00 -0.72 1.02 -1.20 -0.63 119.74 122.97 1sh4 s LYS 28 Ca 0.00 1.64 -0.10 0.00 0.02 0.00 0.00 55.97 57.54 1sh4 s LYS 28 Cb 0.00 -3.24 -0.05 0.00 -0.52 0.00 0.00 37.83 34.02 1sh4 s LYS 28 CO 0.00 0.36 0.32 0.08 -0.92 0.00 0.00 175.35 175.19 1sh4 s VAL 29 N -1.15 5.21 -0.08 3.17 1.01 0.62 -0.96 120.40 128.22 1sh4 s VAL 29 Ca 0.43 0.43 -0.02 0.00 0.00 0.00 0.00 61.98 62.82 1sh4 s VAL 29 Cb -0.29 -3.60 0.03 0.00 0.00 0.00 0.00 36.38 32.53 1sh4 s VAL 29 CO 0.36 0.45 0.03 -0.31 0.00 0.00 0.00 175.10 175.63 1sh4 s TYR 30 N -1.22 0.47 -0.38 5.22 1.51 0.85 -0.83 117.35 122.97 1sh4 s TYR 30 Ca 0.26 -0.09 -0.07 0.00 -1.01 0.00 0.00 57.07 56.16 1sh4 s TYR 30 Cb -0.14 -0.71 0.06 0.00 -0.11 0.00 0.00 41.96 41.07 1sh4 s TYR 30 CO 0.14 -0.32 0.17 0.34 -1.11 0.00 0.00 175.55 174.77 1sh4 s ASP 31 N 2.04 5.41 -0.17 2.29 -1.08 0.42 -0.52 116.67 125.05 1sh4 s ASP 31 Ca 0.04 -1.41 -0.09 0.00 -0.52 0.00 0.00 52.55 50.57 1sh4 s ASP 31 Cb -0.13 -1.90 -0.07 0.00 -1.46 0.00 0.00 42.92 39.36 1sh4 s ASP 31 CO -0.05 -0.43 -0.23 0.18 0.52 0.00 0.00 175.17 175.16 1sh4 n LEU 32 N 4.81 1.29 0.00 -1.34 4.77 -0.19 -4.80 117.00 121.54 1sh4 n LEU 32 Ca -0.10 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 1sh4 n LEU 32 Cb 0.43 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 1sh4 n LEU 32 CO 0.34 0.30 0.00 0.41 -1.33 0.00 0.00 177.39 177.12 1sh4 n THR 33 N -3.83 0.00 -0.02 -5.08 -1.04 -1.26 -0.72 114.28 102.33 1sh4 n THR 33 Ca -0.33 0.00 -0.12 0.00 -2.04 0.00 0.00 64.05 61.56 1sh4 n THR 33 Cb 0.72 0.00 -0.14 0.00 -1.82 0.00 0.00 70.33 69.08 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 0.66 0.04 -2.82 5.02 -1.26 -4.22 118.16 115.59 1sh4 n LYS 34 Ca 0.00 0.27 0.11 0.00 -2.02 0.00 0.00 58.31 56.66 1sh4 n LYS 34 Cb 0.00 -1.75 0.56 0.00 -0.02 0.00 0.00 35.03 33.81 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 0.02 0.26 -0.63 2.13 3.57 -1.31 0.12 116.94 121.08 1sh4 h PHE 35 Ca -0.34 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.27 1sh4 h PHE 35 Cb 2.03 -0.08 -0.11 0.00 2.79 0.00 0.00 35.95 40.58 1sh4 h PHE 35 CO 0.02 0.14 -0.22 1.28 -2.23 0.00 0.00 178.31 177.29 1sh4 n LEU 36 N -4.47 -0.36 0.13 0.59 4.77 -1.26 -0.34 117.00 116.06 1sh4 n LEU 36 Ca 0.05 1.10 0.02 0.00 -0.03 0.00 0.00 56.01 57.14 1sh4 n LEU 36 Cb 0.27 -0.27 0.35 0.00 -2.33 0.00 0.00 43.42 41.44 1sh4 n LEU 36 CO 0.35 -1.01 0.81 -0.33 -1.33 0.00 0.00 177.39 175.88 1sh4 h GLU 37 N 0.00 0.18 0.00 3.23 5.08 -1.01 -3.16 114.58 118.91 1sh4 h GLU 37 Ca 0.24 -0.05 -0.38 0.00 -1.00 0.00 0.00 59.36 58.16 1sh4 h GLU 37 Cb 0.40 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.58 1sh4 h GLU 37 CO -0.64 0.42 -2.11 -1.91 -1.00 0.00 0.00 179.01 173.78 1sh4 n GLU 38 N -4.19 0.59 -1.69 2.33 2.13 0.19 -4.99 120.64 115.00 1sh4 n GLU 38 Ca -0.01 0.36 -0.43 0.00 0.66 0.00 0.00 57.16 57.74 1sh4 n GLU 38 Cb 0.34 -1.58 -0.03 0.00 0.27 0.00 0.00 31.44 30.43 1sh4 n GLU 38 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1sh4 n HIS 39 N -4.25 2.59 -1.78 4.31 -0.00 0.54 -4.94 115.22 111.68 1sh4 n HIS 39 Ca -0.46 -0.03 -0.43 0.00 0.46 0.00 0.00 57.72 57.26 1sh4 n HIS 39 Cb 0.83 -2.69 -0.03 0.00 -0.12 0.00 0.00 29.99 27.98 1sh4 n HIS 39 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1sh4 s PRO 40 N 2.17 3.62 0.00 1.57 0.04 -1.26 -1.27 135.00 139.88 1sh4 s PRO 40 Ca 0.80 2.07 0.00 0.00 0.04 0.00 0.00 61.00 63.92 1sh4 s PRO 40 Cb -0.53 -4.21 0.00 0.00 0.04 0.00 0.00 34.50 29.80 1sh4 s PRO 40 CO 0.37 -1.53 0.00 0.41 0.04 0.00 0.00 177.00 176.29 1sh4 n GLY 41 N 5.08 3.98 0.00 0.56 0.00 -1.26 -5.12 105.19 108.43 1sh4 n GLY 41 Ca 0.23 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.35 0.10 -0.02 0.00 -0.40 -4.28 105.19 100.25 1sh4 n GLY 42 Ca 0.00 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.12 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 0.21 -0.44 1.61 5.08 -1.84 -3.29 114.58 115.90 1sh4 h GLU 43 Ca 0.00 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.17 1sh4 h GLU 43 Cb 0.00 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1sh4 h GLU 43 CO 0.00 0.79 0.12 0.93 -1.00 0.00 0.00 179.01 179.84 1sh4 h GLU 44 N -0.33 0.65 0.00 2.33 5.08 -1.91 0.93 114.58 121.34 1sh4 h GLU 44 Ca -0.01 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.15 1sh4 h GLU 44 Cb 0.81 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1sh4 h GLU 44 CO 0.04 0.59 -0.41 1.25 -1.00 0.00 0.00 179.01 179.47 1sh4 h HIS 45 N 0.64 0.00 0.08 4.33 2.76 -1.74 0.29 115.15 121.50 1sh4 h HIS 45 Ca 0.15 0.00 -0.28 0.00 -2.20 0.00 0.00 60.37 58.03 1sh4 h HIS 45 Cb 0.22 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.21 1sh4 h HIS 45 CO 0.01 0.41 -1.17 -0.07 -1.30 0.00 0.00 177.93 175.82 1sh4 h LEU 46 N 0.00 0.85 -0.46 0.26 3.38 -1.36 -3.29 115.31 114.69 1sh4 h LEU 46 Ca -0.00 -0.75 -0.07 0.00 0.09 0.00 0.00 57.88 57.15 1sh4 h LEU 46 Cb 1.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 1sh4 h LEU 46 CO 0.05 1.55 0.03 -0.09 0.09 0.00 0.00 178.44 180.07 1sh4 h ARG 47 N 0.30 0.80 -0.84 1.13 1.12 -0.42 0.17 114.38 116.64 1sh4 h ARG 47 Ca -0.16 -0.24 0.15 0.00 -1.11 0.00 0.00 59.98 58.61 1sh4 h ARG 47 Cb 1.83 -0.08 -0.15 0.00 -0.01 0.00 0.00 29.97 31.57 1sh4 h ARG 47 CO 0.22 0.84 -0.32 1.49 -3.11 0.00 0.00 179.97 179.09 1sh4 h GLU 48 N 0.65 -0.05 0.02 0.20 4.81 -0.57 -2.09 114.58 117.56 1sh4 h GLU 48 Ca 0.13 0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.14 1sh4 h GLU 48 Cb 0.46 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1sh4 h GLU 48 CO 0.02 -0.03 -0.98 1.96 -0.73 0.00 0.00 179.01 179.24 1sh4 h GLN 49 N -0.05 0.35 -6.86 1.92 1.08 -1.46 -3.48 115.11 106.61 1sh4 h GLN 49 Ca 0.33 -0.41 -0.49 0.00 -1.45 0.00 0.00 58.65 56.64 1sh4 h GLN 49 Cb 0.60 0.12 0.22 0.00 -0.05 0.00 0.00 27.48 28.37 1sh4 h GLN 49 CO -0.87 1.10 -0.57 0.00 -0.95 0.00 0.00 178.83 177.54 1sh4 n ALA 50 N -2.53 -2.98 -1.37 3.87 0.00 0.55 -4.27 120.51 113.78 1sh4 n ALA 50 Ca -0.06 -0.94 0.00 0.00 0.00 0.00 0.00 53.44 52.44 1sh4 n ALA 50 Cb 0.86 -1.78 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 1.45 0.82 0.00 0.00 0.00 0.22 -4.88 105.19 102.80 1sh4 n GLY 51 Ca 0.05 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.12 1.59 2.03 -0.02 0.00 -0.21 -3.89 105.19 103.57 1sh4 n GLY 52 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 -0.08 -8.05 -1.13 1.61 2.03 -1.25 -4.61 116.55 105.07 1sh4 n ASP 53 Ca 0.00 1.44 0.02 0.00 0.52 0.00 0.00 54.79 56.76 1sh4 n ASP 53 Cb 0.00 -4.39 0.00 0.00 -0.72 0.00 0.00 41.12 36.02 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 1.49 2.39 0.18 -1.67 0.00 0.19 -4.59 120.51 118.50 1sh4 n ALA 54 Ca 0.00 -1.69 -0.14 0.00 0.00 0.00 0.00 53.44 51.61 1sh4 n ALA 54 Cb 0.00 -0.59 -0.08 0.00 0.00 0.00 0.00 19.45 18.77 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 6.69 0.67 -0.16 0.00 2.02 -1.91 0.14 112.91 120.36 1sh4 h THR 55 Ca -0.19 -0.41 0.04 0.00 0.77 0.00 0.00 66.41 66.62 1sh4 h THR 55 Cb 1.67 0.89 -0.05 0.00 -1.74 0.00 0.00 68.15 68.91 1sh4 h THR 55 CO 0.03 0.08 -0.14 -0.08 0.37 0.00 0.00 175.52 175.78 1sh4 h GLU 56 N -0.69 -0.15 -0.67 6.66 4.81 -1.92 -0.42 114.58 122.20 1sh4 h GLU 56 Ca -0.05 0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.13 1sh4 h GLU 56 Cb 0.48 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.87 1sh4 h GLU 56 CO 0.08 -0.10 0.16 -0.97 -0.73 0.00 0.00 179.01 177.45 1sh4 h ASN 57 N -0.16 1.02 0.08 1.04 -0.73 -1.95 0.15 115.58 115.03 1sh4 h ASN 57 Ca 0.10 -0.23 0.00 0.00 1.87 0.00 0.00 56.30 58.04 1sh4 h ASN 57 Cb 0.31 -0.27 0.00 0.00 0.27 0.00 0.00 38.32 38.63 1sh4 h ASN 57 CO -0.26 0.99 0.00 0.15 -0.37 0.00 0.00 177.43 177.95 1sh4 h PHE 58 N 1.01 0.00 0.00 0.67 3.57 0.38 -3.26 116.94 119.30 1sh4 h PHE 58 Ca 0.21 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.57 1sh4 h PHE 58 Cb 0.37 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.08 1sh4 h PHE 58 CO 0.03 0.00 -1.53 0.39 -2.23 0.00 0.00 178.31 174.97 1sh4 n GLU 59 N -2.54 0.95 0.00 1.11 -0.58 -0.27 -3.61 120.64 115.70 1sh4 n GLU 59 Ca -0.02 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.76 1sh4 n GLU 59 Cb 0.07 -1.19 0.00 0.00 -0.57 0.00 0.00 31.44 29.75 1sh4 n GLU 59 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1sh4 n ASP 60 N -2.64 0.00 -0.30 1.62 2.03 0.47 -2.70 116.55 115.03 1sh4 n ASP 60 Ca -0.15 0.21 0.15 0.00 0.52 0.00 0.00 54.79 55.51 1sh4 n ASP 60 Cb 0.70 0.00 0.40 0.00 -0.72 0.00 0.00 41.12 41.50 1sh4 n ASP 60 CO 0.00 0.00 0.00 1.62 -1.92 0.00 0.00 177.20 176.90 1sh4 h VAL 61 N 0.00 0.72 -1.45 5.18 3.04 -1.84 -3.48 116.25 118.42 1sh4 h VAL 61 Ca 0.00 -0.21 0.18 0.00 -1.01 0.00 0.00 66.70 65.65 1sh4 h VAL 61 Cb 0.00 0.04 -0.05 0.00 -2.01 0.00 0.00 31.29 29.28 1sh4 h VAL 61 CO 0.00 0.11 -0.25 0.61 -1.01 0.00 0.00 177.57 177.03 1sh4 n GLY 62 N -1.42 -1.61 0.00 3.17 0.00 -1.10 -5.05 105.19 99.18 1sh4 n GLY 62 Ca 0.21 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.54 0.00 0.00 1.61 8.25 -1.24 -4.85 115.22 116.46 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 0.30 -0.16 0.00 0.00 1.12 0.00 0.00 29.99 31.25 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 -1.54 0.00 -0.13 0.41 7.64 -1.26 0.99 113.62 119.73 1sh4 n SER 64 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.77 1sh4 n SER 64 Cb 0.00 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.08 -0.32 0.44 1.35 -2.02 -1.50 112.91 110.95 1sh4 h THR 65 Ca 0.00 0.00 0.05 0.00 -0.55 0.00 0.00 66.41 65.91 1sh4 h THR 65 Cb 0.00 0.08 -0.05 0.00 -1.73 0.00 0.00 68.15 66.45 1sh4 h THR 65 CO 0.00 0.00 -0.13 0.47 -0.25 0.00 0.00 175.52 175.61 1sh4 n ASP 66 N -5.41 -0.21 -0.07 5.36 9.92 -1.26 0.24 116.55 125.13 1sh4 n ASP 66 Ca -0.01 0.55 -0.13 0.00 -0.53 0.00 0.00 54.79 54.67 1sh4 n ASP 66 Cb 0.35 -0.12 -0.06 0.00 -0.64 0.00 0.00 41.12 40.65 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 0.43 0.28 -0.17 2.24 0.00 -1.71 0.16 119.26 120.49 1sh4 h ALA 67 Ca 0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.68 1sh4 h ALA 67 Cb 0.19 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1sh4 h ALA 67 CO -0.31 0.14 -0.05 0.00 0.00 0.00 0.00 179.25 179.02 1sh4 h ARG 68 N 0.12 0.25 -0.06 0.00 -0.00 0.19 0.13 114.38 115.01 1sh4 h ARG 68 Ca 0.04 -0.04 -0.13 0.00 -0.50 0.00 0.00 59.98 59.35 1sh4 h ARG 68 Cb 0.62 -0.04 0.01 0.00 0.00 0.00 0.00 29.97 30.56 1sh4 h ARG 68 CO 0.03 0.32 -0.46 0.93 0.00 0.00 0.00 179.97 180.79 1sh4 h GLU 69 N 0.24 0.42 -0.54 0.04 4.39 -0.45 -3.20 114.58 115.49 1sh4 h GLU 69 Ca 0.05 -0.37 0.10 0.00 0.34 0.00 0.00 59.36 59.48 1sh4 h GLU 69 Cb 0.25 0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 28.91 1sh4 h GLU 69 CO 0.01 1.02 0.10 1.25 -1.16 0.00 0.00 179.01 180.22 1sh4 h LEU 70 N -0.05 -0.03 -1.22 1.33 5.85 -0.30 -3.09 115.31 117.80 1sh4 h LEU 70 Ca -0.04 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1sh4 h LEU 70 Cb 1.13 0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.31 1sh4 h LEU 70 CO 0.09 0.01 0.00 0.77 -0.34 0.00 0.00 178.44 178.97 1sh4 h SER 71 N 0.23 0.00 -0.14 1.25 4.64 -0.74 0.20 113.55 119.00 1sh4 h SER 71 Ca 0.27 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.63 1sh4 h SER 71 Cb 0.39 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.47 1sh4 h SER 71 CO -0.37 0.00 0.11 0.11 -0.87 0.00 0.00 176.83 175.81 1sh4 h LYS 72 N 0.00 0.00 0.00 4.77 1.57 -1.64 0.33 116.57 121.59 1sh4 h LYS 72 Ca 0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 1sh4 h LYS 72 Cb 0.17 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1sh4 h LYS 72 CO 0.00 0.00 -0.28 0.00 -0.57 0.00 0.00 179.45 178.60 1sh4 h THR 73 N 0.00 0.59 0.00 -0.16 1.03 -0.81 -3.25 112.91 110.31 1sh4 h THR 73 Ca 0.07 -1.40 -0.13 0.00 -0.01 0.00 0.00 66.41 64.94 1sh4 h THR 73 Cb 0.29 1.96 -0.02 0.00 -1.07 0.00 0.00 68.15 69.30 1sh4 h THR 73 CO -0.00 0.27 -1.30 -0.26 -0.01 0.00 0.00 175.52 174.23 1sh4 h PHE 74 N 0.00 0.00 -4.16 0.00 0.04 -0.82 -3.48 116.94 108.53 1sh4 h PHE 74 Ca -0.00 0.00 -0.53 0.00 2.80 0.00 0.00 57.97 60.24 1sh4 h PHE 74 Cb 0.93 0.00 0.13 0.00 2.20 0.00 0.00 35.95 39.21 1sh4 h PHE 74 CO 0.00 0.45 0.41 0.42 -0.60 0.00 0.00 178.31 178.99 1sh4 s ILE 75 N -3.02 2.63 0.00 -0.55 1.01 0.86 -0.44 121.20 121.69 1sh4 s ILE 75 Ca -0.02 0.33 0.00 0.00 0.00 0.00 0.00 60.65 60.96 1sh4 s ILE 75 Cb 0.09 -2.94 0.00 0.00 0.01 0.00 0.00 42.46 39.62 1sh4 s ILE 75 CO 0.80 -0.15 0.00 2.30 0.00 0.00 0.00 174.94 177.90 1sh4 n ILE 76 N -2.32 0.00 0.00 2.92 -5.35 -0.01 -4.80 119.36 109.81 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 -0.54 0.00 0.00 -1.74 0.00 0.00 39.64 37.87 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 2.63 -0.52 3.36 3.28 0.00 -1.19 -4.71 105.19 108.04 1sh4 n GLY 77 Ca 0.00 0.09 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 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 1.37 0.00 1.61 2.02 -1.26 -0.28 118.70 122.16 1sh4 s GLU 78 Ca 0.00 -1.65 0.00 0.00 0.02 0.00 0.00 54.97 53.34 1sh4 s GLU 78 Cb 0.00 -0.98 0.00 0.00 0.10 0.00 0.00 34.13 33.25 1sh4 s GLU 78 CO 0.00 0.07 0.38 1.47 0.02 0.00 0.00 175.26 177.20 1sh4 n LEU 79 N -0.43 0.07 -0.29 1.80 -0.00 0.20 -0.71 117.00 117.64 1sh4 n LEU 79 Ca -0.07 -0.03 0.00 0.00 -0.00 0.00 0.00 56.01 55.91 1sh4 n LEU 79 Cb 0.62 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 44.01 1sh4 n LEU 79 CO 0.36 0.02 -0.09 1.57 -0.00 0.00 0.00 177.39 179.25 1sh4 n HIS 80 N -0.37 -0.78 0.75 1.47 -0.00 -1.24 -4.02 115.22 111.03 1sh4 n HIS 80 Ca 0.00 0.42 0.13 0.00 -0.00 0.00 0.00 57.72 58.27 1sh4 n HIS 80 Cb 0.02 -1.08 0.49 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 -1.68 0.15 -1.48 1.57 -0.04 -1.26 -3.17 135.00 129.09 1sh4 n PRO 81 Ca 0.00 0.15 -0.35 0.00 -0.04 0.00 0.00 63.50 63.26 1sh4 n PRO 81 Cb 0.08 -1.68 0.07 0.00 -0.04 0.00 0.00 33.50 31.93 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 -1.93 7.44 0.07 3.54 2.03 -1.26 -4.39 116.55 122.04 1sh4 n ASP 82 Ca 0.06 -3.79 0.00 0.00 0.52 0.00 0.00 54.79 51.57 1sh4 n ASP 82 Cb 0.37 -0.94 0.00 0.00 -0.72 0.00 0.00 41.12 39.83 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 -0.85 -0.90 0.00 1.67 8.00 -1.25 -5.03 116.55 118.20 1sh4 n ASP 83 Ca 0.60 0.25 0.00 0.00 0.71 0.00 0.00 54.79 56.35 1sh4 n ASP 83 Cb 0.62 1.06 0.00 0.00 -0.02 0.00 0.00 41.12 42.79 1sh4 n ASP 83 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70