#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi3 n SER 2 N 0.00 -5.59 -1.39 1.61 2.88 -1.26 -5.02 113.62 104.84 1wi3 n SER 2 Ca 0.00 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1wi3 n SER 2 Cb 0.00 -2.98 0.00 0.00 -0.75 0.00 0.00 64.21 60.48 1wi3 n SER 2 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1wi3 n SER 3 N -2.12 -7.53 0.00 -3.46 7.64 -1.26 -5.09 113.62 101.79 1wi3 n SER 3 Ca 0.00 1.50 0.00 0.00 1.01 0.00 0.00 58.87 61.38 1wi3 n SER 3 Cb 0.29 -4.30 0.00 0.00 -1.01 0.00 0.00 64.21 59.19 1wi3 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi3 n GLY 4 N -2.04 3.84 2.03 0.23 0.00 -1.26 -5.11 105.19 102.88 1wi3 n GLY 4 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 46.02 44.52 1wi3 n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1wi3 n SER 5 N 0.00 -0.72 -1.26 1.61 3.41 -1.26 -5.17 113.62 110.23 1wi3 n SER 5 Ca 0.00 0.51 0.10 0.00 -0.26 0.00 0.00 58.87 59.22 1wi3 n SER 5 Cb 0.00 0.87 -0.05 0.00 -0.26 0.00 0.00 64.21 64.76 1wi3 n SER 5 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1wi3 n SER 6 N -3.39 -6.83 0.00 4.04 7.64 -1.26 -5.04 113.62 108.78 1wi3 n SER 6 Ca 0.00 1.37 0.00 0.00 1.01 0.00 0.00 58.87 61.25 1wi3 n SER 6 Cb 0.00 -4.20 0.00 0.00 -1.01 0.00 0.00 64.21 59.00 1wi3 n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1wi3 n GLY 7 N -3.44 -1.78 3.80 0.23 0.00 -1.26 -5.00 105.19 97.74 1wi3 n GLY 7 Ca -0.05 -1.98 -0.30 0.00 0.00 0.00 0.00 46.02 43.69 1wi3 n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wi3 s PRO 8 N -0.02 1.92 -0.24 1.61 0.04 -1.26 -4.94 135.00 132.12 1wi3 s PRO 8 Ca 0.00 0.58 -0.29 0.00 0.04 0.00 0.00 61.00 61.33 1wi3 s PRO 8 Cb 0.00 -1.90 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 1wi3 s PRO 8 CO 0.00 -1.72 1.87 1.03 0.04 0.00 0.00 177.00 178.22 1wi3 s ARG 9 N -5.18 3.49 0.00 4.56 0.52 -1.26 -4.89 118.95 116.19 1wi3 s ARG 9 Ca 0.61 1.76 0.00 0.00 -0.52 0.00 0.00 55.73 57.58 1wi3 s ARG 9 Cb -0.14 -4.19 0.00 0.00 0.52 0.00 0.00 34.95 31.13 1wi3 s ARG 9 CO 0.54 -1.67 0.00 0.43 0.02 0.00 0.00 175.30 174.62 1wi3 n SER 10 N 9.85 0.00 -2.00 0.23 7.64 -1.26 -5.07 113.62 123.01 1wi3 n SER 10 Ca 0.23 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 60.10 1wi3 n SER 10 Cb 0.45 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.67 1wi3 n SER 10 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 1wi3 n ARG 11 N -0.05 0.27 -3.62 1.43 -4.01 -1.26 -5.11 116.66 104.31 1wi3 n ARG 11 Ca 0.00 -0.39 -0.11 0.00 -1.04 0.00 0.00 57.85 56.30 1wi3 n ARG 11 Cb 0.00 0.06 -0.07 0.00 -3.04 0.00 0.00 32.46 29.41 1wi3 n ARG 11 CO 0.00 0.00 0.00 -0.08 -3.04 0.00 0.00 177.63 174.51 1wi3 s THR 12 N 0.03 0.00 -0.08 8.89 -1.32 -1.26 -5.00 115.64 116.91 1wi3 s THR 12 Ca 0.03 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.54 1wi3 s THR 12 Cb 0.09 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 70.17 1wi3 s THR 12 CO -0.02 0.00 0.81 1.17 -2.21 0.00 0.00 174.62 174.36 1wi3 n LYS 13 N 2.07 0.32 -3.88 7.08 4.81 -1.26 -5.11 118.16 122.19 1wi3 n LYS 13 Ca -0.13 -0.65 -0.35 0.00 -0.87 0.00 0.00 58.31 56.30 1wi3 n LYS 13 Cb 0.56 0.41 -0.14 0.00 0.02 0.00 0.00 35.03 35.88 1wi3 n LYS 13 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 1wi3 s ILE 14 N 0.03 3.60 0.29 3.15 1.01 -1.26 -4.99 121.20 123.03 1wi3 s ILE 14 Ca 0.02 -0.42 -0.02 0.00 0.00 0.00 0.00 60.65 60.23 1wi3 s ILE 14 Cb 0.10 -2.65 0.41 0.00 0.01 0.00 0.00 42.46 40.34 1wi3 s ILE 14 CO -0.03 0.40 1.57 0.28 0.00 0.00 0.00 174.94 177.17 1wi3 h SER 15 N 8.13 -0.61 0.00 3.58 0.02 -2.01 -3.46 113.55 119.20 1wi3 h SER 15 Ca -0.41 0.28 0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1wi3 h SER 15 Cb 1.16 0.51 0.00 0.00 0.14 0.00 0.00 62.40 64.22 1wi3 h SER 15 CO 0.60 -0.33 0.00 -0.11 -1.14 0.00 0.00 176.83 175.85 1wi3 n LEU 16 N -5.52 0.00 0.00 5.07 7.94 -1.26 -5.03 117.00 118.20 1wi3 n LEU 16 Ca 0.20 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.10 1wi3 n LEU 16 Cb 0.65 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.60 1wi3 n LEU 16 CO -0.07 0.00 0.14 -0.62 -1.11 0.00 0.00 177.39 175.73 1wi3 n GLU 17 N 0.00 0.00 -0.16 1.96 1.02 -1.26 0.84 120.64 123.03 1wi3 n GLU 17 Ca 0.00 0.28 -0.04 0.00 -0.02 0.00 0.00 57.16 57.37 1wi3 n GLU 17 Cb 0.00 -0.69 -0.04 0.00 -0.02 0.00 0.00 31.44 30.69 1wi3 n GLU 17 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1wi3 n ALA 18 N -1.41 -0.25 -0.05 0.62 0.00 -1.26 0.19 120.51 118.35 1wi3 n ALA 18 Ca 0.00 0.33 -0.11 0.00 0.00 0.00 0.00 53.44 53.65 1wi3 n ALA 18 Cb 0.00 -0.04 -0.08 0.00 0.00 0.00 0.00 19.45 19.33 1wi3 n ALA 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1wi3 h LEU 19 N 0.00 -1.40 -0.63 0.00 5.85 -1.40 0.94 115.31 118.67 1wi3 h LEU 19 Ca 0.06 0.17 0.12 0.00 0.84 0.00 0.00 57.88 59.08 1wi3 h LEU 19 Cb 0.16 0.56 -0.09 0.00 0.37 0.00 0.00 40.66 41.65 1wi3 h LEU 19 CO -0.36 -0.35 0.13 1.23 -0.34 0.00 0.00 178.44 178.75 1wi3 h GLY 20 N -0.39 0.82 -0.06 3.75 0.00 0.84 1.01 103.07 109.05 1wi3 h GLY 20 Ca 0.04 -0.02 0.04 0.00 0.00 0.00 0.00 47.33 47.39 1wi3 h GLY 20 CO -0.40 -0.14 -0.45 -2.22 0.00 0.00 0.00 176.54 173.33 1wi3 h ILE 21 N 0.25 0.10 -0.38 2.60 2.04 0.23 0.58 117.51 122.94 1wi3 h ILE 21 Ca 0.34 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.13 1wi3 h ILE 21 Cb 0.52 0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1wi3 h ILE 21 CO -0.44 0.00 -0.04 0.17 0.00 0.00 0.00 178.15 177.85 1wi3 h LEU 22 N -0.50 0.59 -0.92 1.44 8.10 0.10 -2.38 115.31 121.74 1wi3 h LEU 22 Ca 0.07 -0.13 0.07 0.00 0.11 0.00 0.00 57.88 58.00 1wi3 h LEU 22 Cb 0.64 -0.16 -0.07 0.00 -0.44 0.00 0.00 40.66 40.64 1wi3 h LEU 22 CO -0.43 0.68 0.58 -0.61 -4.11 0.00 0.00 178.44 174.55 1wi3 h GLN 23 N 0.58 1.00 -0.91 0.17 -0.00 0.33 0.07 115.11 116.36 1wi3 h GLN 23 Ca 0.12 -0.06 -0.02 0.00 -0.00 0.00 0.00 58.65 58.69 1wi3 h GLN 23 Cb 0.42 -0.23 -0.04 0.00 0.00 0.00 0.00 27.48 27.63 1wi3 h GLN 23 CO 0.02 0.66 0.51 1.03 0.00 0.00 0.00 178.83 181.05 1wi3 h SER 24 N 1.03 1.13 0.45 -0.69 0.87 0.59 -1.55 113.55 115.37 1wi3 h SER 24 Ca 0.40 -0.09 -0.09 0.00 -1.23 0.00 0.00 61.79 60.78 1wi3 h SER 24 Cb 0.20 -0.29 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1wi3 h SER 24 CO -0.18 0.89 -0.44 0.15 -0.53 0.00 0.00 176.83 176.72 1wi3 h PHE 25 N 1.27 0.00 -0.53 2.24 3.04 -1.01 -1.47 116.94 120.48 1wi3 h PHE 25 Ca 0.32 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 62.19 1wi3 h PHE 25 Cb 0.01 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 38.50 1wi3 h PHE 25 CO 0.01 0.44 0.00 0.82 -2.02 0.00 0.00 178.31 177.56 1wi3 h ILE 26 N 0.00 1.26 0.00 1.41 2.04 -0.08 1.02 117.51 123.16 1wi3 h ILE 26 Ca -0.00 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 64.76 1wi3 h ILE 26 Cb 0.79 0.92 0.00 0.00 -0.74 0.00 0.00 36.82 37.79 1wi3 h ILE 26 CO 0.06 0.39 0.00 1.57 0.00 0.00 0.00 178.15 180.17 1wi3 n HIS 27 N -4.29 0.67 -0.09 1.37 -0.00 -0.82 0.17 115.22 112.23 1wi3 n HIS 27 Ca 0.01 0.21 -0.16 0.00 0.46 0.00 0.00 57.72 58.24 1wi3 n HIS 27 Cb 0.32 -0.84 -0.08 0.00 -0.12 0.00 0.00 29.99 29.27 1wi3 n HIS 27 CO 0.00 0.00 0.00 -0.25 0.46 0.00 0.00 176.34 176.55 1wi3 n ASP 28 N -2.06 1.85 0.00 0.26 9.92 -0.58 -4.56 116.55 121.39 1wi3 n ASP 28 Ca 0.05 0.49 -0.20 0.00 -0.53 0.00 0.00 54.79 54.60 1wi3 n ASP 28 Cb 0.37 -0.93 -0.14 0.00 -0.64 0.00 0.00 41.12 39.78 1wi3 n ASP 28 CO 0.00 0.00 0.00 -0.37 0.13 0.00 0.00 177.20 176.96 1wi3 h VAL 29 N -1.00 1.35 0.00 2.53 -1.51 0.99 -3.51 116.25 115.10 1wi3 h VAL 29 Ca -0.24 -2.43 0.00 0.00 -1.23 0.00 0.00 66.70 62.79 1wi3 h VAL 29 Cb 1.05 2.99 0.00 0.00 -2.13 0.00 0.00 31.29 33.20 1wi3 h VAL 29 CO -0.15 0.66 0.00 0.61 -1.23 0.00 0.00 177.57 177.46 1wi3 n GLY 30 N 1.66 0.59 2.80 5.19 0.00 0.45 -4.76 105.19 111.12 1wi3 n GLY 30 Ca -0.19 -0.93 -0.02 0.00 0.00 0.00 0.00 46.02 44.89 1wi3 n GLY 30 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1wi3 n LEU 31 N 0.00 1.33 -3.15 0.99 4.77 -1.26 -4.31 117.00 115.37 1wi3 n LEU 31 Ca 0.00 -3.15 -0.22 0.00 -0.03 0.00 0.00 56.01 52.61 1wi3 n LEU 31 Cb 0.00 0.44 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 1wi3 n LEU 31 CO 0.00 1.17 -0.23 -1.22 -1.33 0.00 0.00 177.39 175.78 1wi3 n TYR 32 N -0.56 -0.90 -1.94 -1.77 4.01 -1.26 -5.03 117.16 109.71 1wi3 n TYR 32 Ca 0.06 -3.25 -0.32 0.00 -0.16 0.00 0.00 57.90 54.23 1wi3 n TYR 32 Cb 0.81 0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.87 1wi3 n TYR 32 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 1wi3 s PRO 33 N -0.75 3.27 0.23 -0.72 0.04 -1.26 -5.07 135.00 130.74 1wi3 s PRO 33 Ca 0.34 1.11 0.10 0.00 0.04 0.00 0.00 61.00 62.59 1wi3 s PRO 33 Cb 0.16 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.62 1wi3 s PRO 33 CO -0.14 -0.84 -0.12 0.16 0.04 0.00 0.00 177.00 176.10 1wi3 s ASP 34 N -3.10 4.05 0.59 6.66 -4.77 -1.26 -4.92 116.67 113.91 1wi3 s ASP 34 Ca 0.62 -0.75 0.32 0.00 -3.30 0.00 0.00 52.55 49.43 1wi3 s ASP 34 Cb -0.15 -0.58 1.24 0.00 -1.09 0.00 0.00 42.92 42.34 1wi3 s ASP 34 CO 0.42 0.06 1.54 1.56 0.70 0.00 0.00 175.17 179.45 1wi3 h GLN 35 N 2.52 0.00 0.15 2.11 1.08 -1.98 1.33 115.11 120.32 1wi3 h GLN 35 Ca -0.44 0.00 -0.19 0.00 -1.45 0.00 0.00 58.65 56.56 1wi3 h GLN 35 Cb 1.23 0.00 0.02 0.00 -0.05 0.00 0.00 27.48 28.68 1wi3 h GLN 35 CO 0.56 0.00 -0.85 1.49 -0.95 0.00 0.00 178.83 179.08 1wi3 h GLU 36 N 0.00 0.31 -0.45 1.46 4.81 -1.99 -2.44 114.58 116.28 1wi3 h GLU 36 Ca 0.49 -0.53 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 1wi3 h GLU 36 Cb 2.53 0.20 -0.02 0.00 0.63 0.00 0.00 28.75 32.09 1wi3 h GLU 36 CO -0.01 1.25 0.11 0.00 -0.73 0.00 0.00 179.01 179.64 1wi3 h ALA 37 N 0.08 0.59 -0.89 2.92 0.00 0.11 -1.32 119.26 120.76 1wi3 h ALA 37 Ca -0.15 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1wi3 h ALA 37 Cb 1.67 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.25 1wi3 h ALA 37 CO 0.16 0.28 0.51 0.82 0.00 0.00 0.00 179.25 181.01 1wi3 h ILE 38 N 0.59 1.25 -0.43 0.00 2.04 -0.41 -0.40 117.51 120.16 1wi3 h ILE 38 Ca 0.14 -0.60 0.01 0.00 1.00 0.00 0.00 64.86 65.41 1wi3 h ILE 38 Cb 0.32 0.03 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1wi3 h ILE 38 CO 0.00 0.28 0.27 0.45 0.00 0.00 0.00 178.15 179.15 1wi3 h HIS 39 N 1.24 0.52 -0.51 1.37 3.86 -1.01 0.52 115.15 121.12 1wi3 h HIS 39 Ca 0.32 0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.51 1wi3 h HIS 39 Cb -0.00 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 1wi3 h HIS 39 CO 0.01 0.31 0.18 1.15 0.86 0.00 0.00 177.93 180.44 1wi3 h THR 40 N 0.56 1.20 -0.19 2.45 2.02 -0.63 0.13 112.91 118.45 1wi3 h THR 40 Ca 0.16 -0.65 -0.18 0.00 0.77 0.00 0.00 66.41 66.52 1wi3 h THR 40 Cb -0.04 0.61 -0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1wi3 h THR 40 CO -0.05 0.25 -0.61 -0.07 0.37 0.00 0.00 175.52 175.41 1wi3 h LEU 41 N 0.74 0.74 -0.65 2.58 3.38 -0.20 0.91 115.31 122.81 1wi3 h LEU 41 Ca 0.17 -0.42 0.00 0.00 0.09 0.00 0.00 57.88 57.72 1wi3 h LEU 41 Cb 0.19 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.72 1wi3 h LEU 41 CO -0.01 1.17 0.00 -1.28 0.09 0.00 0.00 178.44 178.41 1wi3 h SER 42 N 0.48 0.00 0.00 -0.43 0.87 0.71 -2.46 113.55 112.72 1wi3 h SER 42 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1wi3 h SER 42 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 1wi3 h SER 42 CO 0.12 0.00 -0.24 0.00 -0.53 0.00 0.00 176.83 176.18 1wi3 n ALA 43 N -1.90 0.21 -0.34 6.23 0.00 0.39 -1.12 120.51 123.99 1wi3 n ALA 43 Ca 0.03 -0.36 0.16 0.00 0.00 0.00 0.00 53.44 53.26 1wi3 n ALA 43 Cb 0.33 0.01 0.32 0.00 0.00 0.00 0.00 19.45 20.11 1wi3 n ALA 43 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1wi3 h GLN 44 N -0.27 0.02 0.00 0.00 4.15 0.73 0.69 115.11 120.43 1wi3 h GLN 44 Ca 0.00 -0.00 -0.29 0.00 0.77 0.00 0.00 58.65 59.13 1wi3 h GLN 44 Cb 0.24 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.88 1wi3 h GLN 44 CO 0.00 0.01 -1.68 -0.07 -1.93 0.00 0.00 178.83 175.16 1wi3 h LEU 45 N 0.02 0.00 0.00 -2.39 3.38 -1.60 -3.48 115.31 111.24 1wi3 h LEU 45 Ca 0.62 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.59 1wi3 h LEU 45 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1wi3 h LEU 45 CO -0.89 1.00 0.00 -0.67 0.09 0.00 0.00 178.44 177.96 1wi3 n ASP 46 N -3.06 -2.04 -4.97 -0.43 -0.08 0.24 -5.04 116.55 101.18 1wi3 n ASP 46 Ca -0.16 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 52.91 1wi3 n ASP 46 Cb 1.05 -0.45 -0.01 0.00 2.34 0.00 0.00 41.12 44.05 1wi3 n ASP 46 CO 0.00 0.00 0.00 -0.76 0.12 0.00 0.00 177.20 176.56 1wi3 s LEU 47 N 0.00 4.02 0.68 -2.67 1.43 -0.28 -4.89 118.68 116.97 1wi3 s LEU 47 Ca 0.00 0.07 -0.11 0.00 -1.03 0.00 0.00 54.13 53.06 1wi3 s LEU 47 Cb 0.00 -2.94 0.00 0.00 0.03 0.00 0.00 46.19 43.28 1wi3 s LEU 47 CO 0.00 -0.36 1.06 -2.16 0.23 0.00 0.00 176.35 175.12 1wi3 s PRO 48 N -4.21 3.00 0.05 1.29 0.04 -1.26 -4.00 135.00 129.91 1wi3 s PRO 48 Ca 0.42 0.98 -0.26 0.00 0.04 0.00 0.00 61.00 62.17 1wi3 s PRO 48 Cb -0.09 -2.00 -0.17 0.00 0.04 0.00 0.00 34.50 32.28 1wi3 s PRO 48 CO 0.32 -1.05 1.49 0.87 0.04 0.00 0.00 177.00 178.67 1wi3 h LYS 49 N -0.57 -0.36 -0.74 4.56 1.57 -1.93 -1.08 116.57 118.03 1wi3 h LYS 49 Ca -0.44 0.02 0.16 0.00 -1.87 0.00 0.00 60.65 58.53 1wi3 h LYS 49 Cb 1.21 0.08 -0.11 0.00 0.08 0.00 0.00 32.23 33.49 1wi3 h LYS 49 CO 0.57 -0.13 0.14 1.12 -0.57 0.00 0.00 179.45 180.58 1wi3 h HIS 50 N -0.54 0.20 0.78 -1.35 2.07 -1.97 1.42 115.15 115.76 1wi3 h HIS 50 Ca -0.04 0.05 -0.03 0.00 -2.85 0.00 0.00 60.37 57.49 1wi3 h HIS 50 Cb 0.40 0.03 -0.00 0.00 2.57 0.00 0.00 27.41 30.40 1wi3 h HIS 50 CO -0.01 -0.13 -0.46 1.15 -3.07 0.00 0.00 177.93 175.41 1wi3 h THR 51 N 0.22 0.07 -0.51 6.12 2.02 -1.89 1.17 112.91 120.11 1wi3 h THR 51 Ca 0.41 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.65 1wi3 h THR 51 Cb 0.72 0.07 -0.05 0.00 -1.74 0.00 0.00 68.15 67.15 1wi3 h THR 51 CO -0.54 0.00 0.22 0.40 0.37 0.00 0.00 175.52 175.96 1wi3 h ILE 52 N -1.16 0.89 0.70 3.11 2.04 -0.11 -1.44 117.51 121.55 1wi3 h ILE 52 Ca -0.10 -0.15 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1wi3 h ILE 52 Cb 0.92 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 1wi3 h ILE 52 CO 0.12 0.08 -0.43 0.40 0.00 0.00 0.00 178.15 178.31 1wi3 h ILE 53 N 0.43 0.13 -0.34 -0.67 2.04 0.21 -2.10 117.51 117.21 1wi3 h ILE 53 Ca 0.24 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.13 1wi3 h ILE 53 Cb 0.21 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.38 1wi3 h ILE 53 CO -0.21 0.00 -0.21 0.11 0.00 0.00 0.00 178.15 177.84 1wi3 h LYS 54 N -1.07 -0.02 -0.97 2.37 6.56 0.18 0.94 116.57 124.57 1wi3 h LYS 54 Ca -0.09 0.00 0.09 0.00 -1.06 0.00 0.00 60.65 59.59 1wi3 h LYS 54 Cb 0.86 0.00 -0.12 0.00 -0.57 0.00 0.00 32.23 32.40 1wi3 h LYS 54 CO 0.09 -0.01 -0.55 0.34 -2.06 0.00 0.00 179.45 177.26 1wi3 n PHE 55 N -3.79 -0.38 -0.16 -1.35 7.35 -0.58 -0.25 117.46 118.29 1wi3 n PHE 55 Ca 0.00 1.21 -0.06 0.00 -0.76 0.00 0.00 57.45 57.85 1wi3 n PHE 55 Cb 0.10 -0.61 0.00 0.00 0.35 0.00 0.00 39.48 39.32 1wi3 n PHE 55 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1wi3 h PHE 56 N 0.00 -0.86 -1.21 -5.13 0.04 -0.33 0.71 116.94 110.16 1wi3 h PHE 56 Ca 0.17 0.06 0.35 0.00 2.80 0.00 0.00 57.97 61.36 1wi3 h PHE 56 Cb 0.41 0.45 -0.05 0.00 2.20 0.00 0.00 35.95 38.97 1wi3 h PHE 56 CO -0.98 -0.37 0.91 1.96 -0.60 0.00 0.00 178.31 179.22 1wi3 h GLN 57 N -0.19 0.00 0.15 1.51 4.20 0.17 1.45 115.11 122.40 1wi3 h GLN 57 Ca 0.21 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.63 1wi3 h GLN 57 Cb 0.54 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.32 1wi3 h GLN 57 CO -0.61 0.00 -1.36 -0.97 -0.67 0.00 0.00 178.83 175.22 1wi3 h ASN 58 N 0.00 0.48 -0.80 1.46 -0.73 0.10 -3.17 115.58 112.92 1wi3 h ASN 58 Ca 0.58 -0.55 0.06 0.00 1.87 0.00 0.00 56.30 58.26 1wi3 h ASN 58 Cb 2.38 -0.16 -0.06 0.00 0.27 0.00 0.00 38.32 40.75 1wi3 h ASN 58 CO -0.01 1.44 0.48 -0.61 -0.37 0.00 0.00 177.43 178.36 1wi3 h GLN 59 N 0.08 0.85 0.42 6.67 5.75 0.36 -1.19 115.11 128.04 1wi3 h GLN 59 Ca -0.18 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.25 1wi3 h GLN 59 Cb 2.02 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 30.38 1wi3 h GLN 59 CO 0.20 0.56 -0.20 0.00 -2.65 0.00 0.00 178.83 176.74 1wi3 h ARG 60 N 0.87 -0.54 -0.99 1.69 3.08 -1.34 -2.74 114.38 114.41 1wi3 h ARG 60 Ca 0.36 0.04 0.36 0.00 0.07 0.00 0.00 59.98 60.81 1wi3 h ARG 60 Cb 0.20 0.12 -0.17 0.00 0.08 0.00 0.00 29.97 30.20 1wi3 h ARG 60 CO -0.18 -0.36 0.47 -0.92 -1.07 0.00 0.00 179.97 177.91 1wi3 h TYR 61 N -0.61 0.73 -0.24 3.04 3.20 -1.50 0.81 116.97 122.40 1wi3 h TYR 61 Ca -0.06 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.91 1wi3 h TYR 61 Cb 0.43 -0.15 -0.05 0.00 1.54 0.00 0.00 36.73 38.50 1wi3 h TYR 61 CO 0.11 -0.37 -0.08 0.45 -1.64 0.00 0.00 178.16 176.63 1wi3 h HIS 62 N 0.10 -0.18 -3.55 -3.82 3.86 -1.07 -3.42 115.15 107.09 1wi3 h HIS 62 Ca 0.77 0.02 -0.47 0.00 -1.16 0.00 0.00 60.37 59.53 1wi3 h HIS 62 Cb 1.90 0.12 0.06 0.00 1.06 0.00 0.00 27.41 30.54 1wi3 h HIS 62 CO -0.08 -0.13 0.15 0.54 0.86 0.00 0.00 177.93 179.27 1wi3 s VAL 63 N -6.20 3.46 -0.26 2.45 0.11 0.28 -5.10 120.40 115.15 1wi3 s VAL 63 Ca -0.14 -0.10 -0.30 0.00 -2.93 0.00 0.00 61.98 58.51 1wi3 s VAL 63 Cb 0.11 -3.38 0.18 0.00 -1.53 0.00 0.00 36.38 31.76 1wi3 s VAL 63 CO 0.69 -0.38 1.30 -0.54 -3.33 0.00 0.00 175.10 172.85 1wi3 s LYS 64 N -4.98 0.14 0.16 1.54 1.02 -1.26 -4.86 119.74 111.50 1wi3 s LYS 64 Ca 0.54 0.03 0.00 0.00 0.02 0.00 0.00 55.97 56.56 1wi3 s LYS 64 Cb -0.10 0.07 0.00 0.00 -0.52 0.00 0.00 37.83 37.27 1wi3 s LYS 64 CO 0.44 -0.05 0.00 0.72 -0.92 0.00 0.00 175.35 175.54 1wi3 n HIS 65 N 0.50 -2.97 -3.66 3.18 8.25 -1.26 -5.12 115.22 114.14 1wi3 n HIS 65 Ca -0.01 0.55 -0.37 0.00 -0.26 0.00 0.00 57.72 57.63 1wi3 n HIS 65 Cb 0.59 1.63 -0.07 0.00 1.12 0.00 0.00 29.99 33.26 1wi3 n HIS 65 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1wi3 s SER 66 N -2.00 6.44 -0.09 0.41 0.15 -1.26 -5.04 113.70 112.30 1wi3 s SER 66 Ca 0.00 0.51 -0.30 0.00 0.70 0.00 0.00 55.95 56.87 1wi3 s SER 66 Cb 0.00 -2.14 -0.04 0.00 -1.71 0.00 0.00 66.02 62.12 1wi3 s SER 66 CO 0.00 0.23 1.51 -0.83 1.20 0.00 0.00 173.24 175.35 1wi3 s GLY 67 N -0.19 1.59 0.60 9.45 0.00 -1.26 -4.99 107.32 112.52 1wi3 s GLY 67 Ca 0.15 0.77 -0.15 0.00 0.00 0.00 0.00 44.72 45.50 1wi3 s GLY 67 CO 0.04 2.82 1.05 2.56 0.00 0.00 0.00 173.10 179.57 1wi3 s PRO 68 N 3.75 3.32 0.62 2.90 0.04 -1.26 -5.02 135.00 139.35 1wi3 s PRO 68 Ca 0.66 1.13 -0.17 0.00 0.04 0.00 0.00 61.00 62.67 1wi3 s PRO 68 Cb -0.29 -2.04 -0.02 0.00 0.04 0.00 0.00 34.50 32.19 1wi3 s PRO 68 CO 0.24 -0.80 1.13 -1.54 0.04 0.00 0.00 177.00 176.07 1wi3 s SER 69 N -2.99 5.25 0.12 6.66 1.04 -1.26 -4.95 113.70 117.57 1wi3 s SER 69 Ca 0.62 2.12 -0.30 0.00 0.48 0.00 0.00 55.95 58.87 1wi3 s SER 69 Cb -0.15 -2.57 -0.09 0.00 0.10 0.00 0.00 66.02 63.31 1wi3 s SER 69 CO 0.39 -1.53 1.59 0.28 0.98 0.00 0.00 173.24 174.95 1wi3 h SER 70 N 0.48 -1.20 0.00 7.02 0.02 -2.06 -3.57 113.55 114.24 1wi3 h SER 70 Ca -0.48 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.61 1wi3 h SER 70 Cb 1.26 0.46 0.00 0.00 0.14 0.00 0.00 62.40 64.26 1wi3 h SER 70 CO 0.55 -0.47 0.00 0.61 -1.14 0.00 0.00 176.83 176.38