#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 1.44 -2.50 1.61 2.88 -1.26 -5.11 113.62 110.69 1wi3 n SER 2 Ca 0.00 0.22 -0.04 0.00 -1.33 0.00 0.00 58.87 57.73 1wi3 n SER 2 Cb 0.00 -0.52 -0.03 0.00 -0.75 0.00 0.00 64.21 62.91 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 -3.92 -2.51 -3.54 -3.46 7.64 -1.26 -5.08 113.62 101.48 1wi3 n SER 3 Ca -0.10 1.22 -0.14 0.00 1.01 0.00 0.00 58.87 60.86 1wi3 n SER 3 Cb 0.32 -4.80 -0.05 0.00 -1.01 0.00 0.00 64.21 58.67 1wi3 n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wi3 s GLY 4 N -0.85 -0.42 0.42 0.23 0.00 -1.26 -5.14 107.32 100.30 1wi3 s GLY 4 Ca -0.18 1.62 -0.17 0.00 0.00 0.00 0.00 44.72 45.99 1wi3 s GLY 4 CO 0.71 0.94 0.88 -1.35 0.00 0.00 0.00 173.10 174.27 1wi3 s SER 5 N -1.27 6.75 0.09 1.64 1.04 -1.26 -5.08 113.70 115.62 1wi3 s SER 5 Ca -0.05 1.47 -0.11 0.00 0.48 0.00 0.00 55.95 57.73 1wi3 s SER 5 Cb -0.00 -2.45 0.01 0.00 0.10 0.00 0.00 66.02 63.67 1wi3 s SER 5 CO 0.04 -0.38 0.25 -0.44 0.98 0.00 0.00 173.24 173.69 1wi3 s SER 6 N -2.58 0.00 0.62 7.02 0.01 -1.26 -5.17 113.70 112.35 1wi3 s SER 6 Ca 0.58 -0.51 -0.12 0.00 1.31 0.00 0.00 55.95 57.20 1wi3 s SER 6 Cb -0.10 0.37 -0.04 0.00 0.21 0.00 0.00 66.02 66.47 1wi3 s SER 6 CO 0.21 -0.74 1.03 -0.83 0.41 0.00 0.00 173.24 173.32 1wi3 s GLY 7 N -2.74 1.76 -0.08 3.44 0.00 -1.26 -5.01 107.32 103.43 1wi3 s GLY 7 Ca 0.03 0.03 -0.27 0.00 0.00 0.00 0.00 44.72 44.50 1wi3 s GLY 7 CO -0.10 0.31 1.00 -0.56 0.00 0.00 0.00 173.10 173.74 1wi3 h PRO 8 N -0.14 -0.01 -5.57 2.90 0.13 -2.01 -3.50 132.00 123.81 1wi3 h PRO 8 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1wi3 h PRO 8 Cb 1.20 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.27 1wi3 h PRO 8 CO 0.61 0.73 -0.93 0.54 -0.23 0.00 0.00 178.00 178.71 1wi3 n ARG 9 N -4.74 -2.87 -2.85 0.86 1.74 -1.26 -4.80 116.66 102.75 1wi3 n ARG 9 Ca -0.09 2.33 -0.43 0.00 -0.77 0.00 0.00 57.85 58.89 1wi3 n ARG 9 Cb 0.36 -3.27 -0.01 0.00 -1.02 0.00 0.00 32.46 28.52 1wi3 n ARG 9 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1wi3 s SER 10 N -0.65 6.82 -0.17 0.55 0.01 -1.26 -4.93 113.70 114.07 1wi3 s SER 10 Ca -0.12 -2.42 -0.01 0.00 1.31 0.00 0.00 55.95 54.71 1wi3 s SER 10 Cb 0.01 -2.44 0.05 0.00 0.21 0.00 0.00 66.02 63.84 1wi3 s SER 10 CO 0.45 -1.00 -0.01 -0.60 0.41 0.00 0.00 173.24 172.49 1wi3 s ARG 11 N 2.71 1.03 -0.08 12.44 3.52 -1.26 -5.11 118.95 132.19 1wi3 s ARG 11 Ca 0.41 -0.46 -0.27 0.00 -0.13 0.00 0.00 55.73 55.28 1wi3 s ARG 11 Cb -0.02 -2.00 0.06 0.00 -1.56 0.00 0.00 34.95 31.43 1wi3 s ARG 11 CO -0.03 -0.53 0.61 -0.08 -0.81 0.00 0.00 175.30 174.46 1wi3 s THR 12 N 1.74 0.01 -0.42 4.11 -1.32 -1.26 -4.90 115.64 113.59 1wi3 s THR 12 Ca -0.00 -0.08 0.07 0.00 -1.21 0.00 0.00 61.69 60.47 1wi3 s THR 12 Cb -0.16 -0.92 0.25 0.00 -1.51 0.00 0.00 72.50 70.16 1wi3 s THR 12 CO -0.07 -0.04 0.65 1.17 -2.21 0.00 0.00 174.62 174.11 1wi3 n LYS 13 N 1.27 0.75 -4.09 7.08 3.00 -1.26 -5.09 118.16 119.81 1wi3 n LYS 13 Ca -0.19 -2.75 -0.33 0.00 -0.00 0.00 0.00 58.31 55.05 1wi3 n LYS 13 Cb 0.57 -1.30 -0.16 0.00 0.00 0.00 0.00 35.03 34.13 1wi3 n LYS 13 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 1wi3 s ILE 14 N -0.62 2.22 0.29 3.15 1.01 -1.26 -5.00 121.20 120.99 1wi3 s ILE 14 Ca 0.34 -0.97 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 1wi3 s ILE 14 Cb 0.20 -1.98 0.44 0.00 0.01 0.00 0.00 42.46 41.13 1wi3 s ILE 14 CO -0.15 0.46 1.56 -1.20 0.00 0.00 0.00 174.94 175.61 1wi3 n SER 15 N 4.62 -0.24 0.00 3.58 7.64 -1.26 -4.84 113.62 123.12 1wi3 n SER 15 Ca -0.20 1.71 0.00 0.00 1.01 0.00 0.00 58.87 61.39 1wi3 n SER 15 Cb 0.49 -0.57 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 1wi3 n SER 15 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1wi3 n LEU 16 N -5.57 0.00 0.00 -3.43 7.94 -1.26 -5.03 117.00 109.65 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 0.63 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.58 1wi3 n LEU 16 CO -0.10 0.00 0.13 -0.62 -1.11 0.00 0.00 177.39 175.70 1wi3 n GLU 17 N 0.00 0.00 -0.12 1.96 1.02 -1.26 0.38 120.64 122.62 1wi3 n GLU 17 Ca 0.00 0.27 -0.03 0.00 -0.02 0.00 0.00 57.16 57.38 1wi3 n GLU 17 Cb 0.00 -0.68 -0.03 0.00 -0.02 0.00 0.00 31.44 30.72 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 -1.42 -0.18 -0.18 0.62 0.00 -1.26 0.18 120.51 118.27 1wi3 n ALA 18 Ca 0.00 0.23 -0.10 0.00 0.00 0.00 0.00 53.44 53.58 1wi3 n ALA 18 Cb 0.00 0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.47 -0.82 0.00 5.85 -1.50 0.51 115.31 117.89 1wi3 h LEU 19 Ca 0.04 0.20 0.10 0.00 0.84 0.00 0.00 57.88 59.06 1wi3 h LEU 19 Cb 0.11 0.62 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 1wi3 h LEU 19 CO -0.26 -0.25 0.46 1.23 -0.34 0.00 0.00 178.44 179.28 1wi3 h GLY 20 N -0.19 1.26 0.40 3.75 0.00 0.68 1.11 103.07 110.09 1wi3 h GLY 20 Ca 0.08 -0.30 0.08 0.00 0.00 0.00 0.00 47.33 47.19 1wi3 h GLY 20 CO -0.54 0.12 0.16 -2.22 0.00 0.00 0.00 176.54 174.06 1wi3 h ILE 21 N 0.77 0.76 -0.03 2.60 2.04 0.46 0.68 117.51 124.79 1wi3 h ILE 21 Ca 0.40 -0.11 -0.21 0.00 1.00 0.00 0.00 64.86 65.94 1wi3 h ILE 21 Cb 0.37 0.42 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1wi3 h ILE 21 CO -0.25 0.06 -0.86 0.17 0.00 0.00 0.00 178.15 177.26 1wi3 h LEU 22 N 0.31 0.50 0.04 1.44 8.10 0.12 -3.18 115.31 122.65 1wi3 h LEU 22 Ca 0.27 -0.38 0.01 0.00 0.11 0.00 0.00 57.88 57.88 1wi3 h LEU 22 Cb 0.33 -0.15 -0.01 0.00 -0.44 0.00 0.00 40.66 40.39 1wi3 h LEU 22 CO -0.30 1.16 -0.06 -0.61 -4.11 0.00 0.00 178.44 174.51 1wi3 h GLN 23 N 0.24 -0.13 -0.97 0.17 4.15 0.27 -1.22 115.11 117.63 1wi3 h GLN 23 Ca -0.06 0.01 0.19 0.00 0.77 0.00 0.00 58.65 59.56 1wi3 h GLN 23 Cb 1.48 0.03 -0.11 0.00 0.21 0.00 0.00 27.48 29.09 1wi3 h GLN 23 CO 0.15 -0.09 0.56 1.03 -1.93 0.00 0.00 178.83 178.55 1wi3 h SER 24 N -0.13 0.70 0.33 -0.69 0.87 0.27 0.55 113.55 115.45 1wi3 h SER 24 Ca 0.01 0.10 -0.08 0.00 -1.23 0.00 0.00 61.79 60.60 1wi3 h SER 24 Cb 0.14 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 1wi3 h SER 24 CO -0.03 0.24 -0.35 0.15 -0.53 0.00 0.00 176.83 176.30 1wi3 h PHE 25 N 0.70 0.05 -0.23 2.24 3.04 -1.35 -1.17 116.94 120.22 1wi3 h PHE 25 Ca 0.56 -0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.43 1wi3 h PHE 25 Cb 0.88 -0.01 -0.01 0.00 2.56 0.00 0.00 35.95 39.37 1wi3 h PHE 25 CO -0.03 0.39 -0.12 0.82 -2.02 0.00 0.00 178.31 177.36 1wi3 h ILE 26 N 0.04 1.30 0.00 1.41 2.04 0.12 0.80 117.51 123.22 1wi3 h ILE 26 Ca 0.00 -1.19 0.00 0.00 1.00 0.00 0.00 64.86 64.67 1wi3 h ILE 26 Cb 0.65 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.32 1wi3 h ILE 26 CO 0.05 0.37 0.00 1.57 0.00 0.00 0.00 178.15 180.14 1wi3 n HIS 27 N -4.50 0.00 -0.09 1.37 -0.00 -0.35 0.17 115.22 111.81 1wi3 n HIS 27 Ca -0.04 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.00 1wi3 n HIS 27 Cb 0.34 -0.46 -0.05 0.00 -0.12 0.00 0.00 29.99 29.70 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 -1.46 1.89 -0.07 0.26 8.00 -0.46 -4.68 116.55 120.03 1wi3 n ASP 28 Ca 0.06 0.45 -0.16 0.00 0.71 0.00 0.00 54.79 55.85 1wi3 n ASP 28 Cb 0.23 -0.84 -0.13 0.00 -0.02 0.00 0.00 41.12 40.37 1wi3 n ASP 28 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1wi3 h VAL 29 N -1.00 1.58 0.00 2.53 -1.51 0.58 -3.51 116.25 114.93 1wi3 h VAL 29 Ca -0.19 -2.33 0.00 0.00 -1.23 0.00 0.00 66.70 62.95 1wi3 h VAL 29 Cb 1.00 3.14 0.00 0.00 -2.13 0.00 0.00 31.29 33.30 1wi3 h VAL 29 CO -0.11 0.56 0.00 0.61 -1.23 0.00 0.00 177.57 177.40 1wi3 n GLY 30 N 1.58 0.61 2.41 5.19 0.00 0.44 -4.92 105.19 110.50 1wi3 n GLY 30 Ca -0.15 -1.64 -0.27 0.00 0.00 0.00 0.00 46.02 43.97 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 3.46 0.00 0.99 4.77 -1.26 -4.39 117.00 120.58 1wi3 n LEU 31 Ca 0.00 -5.39 0.00 0.00 -0.03 0.00 0.00 56.01 50.59 1wi3 n LEU 31 Cb 0.00 -0.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 1wi3 n LEU 31 CO 0.00 2.07 0.00 0.00 -1.33 0.00 0.00 177.39 178.13 1wi3 n TYR 32 N 0.86 0.00 -1.54 -1.77 0.18 -1.26 -5.04 117.16 108.60 1wi3 n TYR 32 Ca 0.29 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.78 1wi3 n TYR 32 Cb 0.42 0.00 0.16 0.00 -0.38 0.00 0.00 39.34 39.54 1wi3 n TYR 32 CO 0.00 0.00 0.00 -1.25 -2.08 0.00 0.00 176.86 173.53 1wi3 s PRO 33 N 0.00 0.72 0.34 -3.48 0.04 -1.26 -5.09 135.00 126.27 1wi3 s PRO 33 Ca 0.00 0.12 0.09 0.00 0.04 0.00 0.00 61.00 61.25 1wi3 s PRO 33 Cb 0.00 -1.81 -0.05 0.00 0.04 0.00 0.00 34.50 32.68 1wi3 s PRO 33 CO 0.00 -2.45 0.04 0.16 0.04 0.00 0.00 177.00 174.79 1wi3 s ASP 34 N -4.15 4.29 0.62 6.66 1.47 -1.26 -4.94 116.67 119.36 1wi3 s ASP 34 Ca 0.66 -0.93 0.25 0.00 1.18 0.00 0.00 52.55 53.72 1wi3 s ASP 34 Cb -0.12 -0.59 1.18 0.00 -0.34 0.00 0.00 42.92 43.05 1wi3 s ASP 34 CO 0.54 -0.24 1.62 1.56 0.68 0.00 0.00 175.17 179.33 1wi3 h GLN 35 N 1.76 0.00 0.00 2.11 4.20 -1.98 0.48 115.11 121.68 1wi3 h GLN 35 Ca -0.43 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.28 1wi3 h GLN 35 Cb 1.25 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.03 1wi3 h GLN 35 CO 0.66 0.00 -0.00 1.49 -0.67 0.00 0.00 178.83 180.31 1wi3 h GLU 36 N 0.00 -0.00 -0.96 1.46 4.81 -1.98 -2.09 114.58 115.81 1wi3 h GLU 36 Ca 0.24 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.50 1wi3 h GLU 36 Cb 1.72 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 31.05 1wi3 h GLU 36 CO -0.00 0.88 0.63 0.00 -0.73 0.00 0.00 179.01 179.80 1wi3 h ALA 37 N 0.04 1.35 -0.58 2.92 0.00 -0.57 -0.89 119.26 121.53 1wi3 h ALA 37 Ca -0.00 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1wi3 h ALA 37 Cb 0.89 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 1wi3 h ALA 37 CO 0.00 0.57 0.07 0.82 0.00 0.00 0.00 179.25 180.72 1wi3 h ILE 38 N 1.25 1.26 -0.87 0.00 2.04 -0.83 -1.27 117.51 119.09 1wi3 h ILE 38 Ca 0.37 -1.02 0.04 0.00 1.00 0.00 0.00 64.86 65.25 1wi3 h ILE 38 Cb -0.06 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 36.76 1wi3 h ILE 38 CO -0.10 0.37 0.57 -0.74 0.00 0.00 0.00 178.15 178.25 1wi3 h HIS 39 N 0.87 1.04 -0.27 1.37 2.76 -0.51 0.42 115.15 120.82 1wi3 h HIS 39 Ca 0.17 0.03 -0.13 0.00 -2.20 0.00 0.00 60.37 58.24 1wi3 h HIS 39 Cb 0.45 -0.35 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 1wi3 h HIS 39 CO 0.03 0.59 -0.38 1.15 -1.30 0.00 0.00 177.93 178.03 1wi3 h THR 40 N 1.07 1.29 -0.31 6.26 2.02 -0.72 -1.29 112.91 121.24 1wi3 h THR 40 Ca 0.35 -1.53 -0.17 0.00 0.77 0.00 0.00 66.41 65.83 1wi3 h THR 40 Cb 0.05 1.49 -0.00 0.00 -1.74 0.00 0.00 68.15 67.95 1wi3 h THR 40 CO -0.11 0.49 -0.48 -0.07 0.37 0.00 0.00 175.52 175.72 1wi3 h LEU 41 N 0.51 0.92 -0.77 2.58 3.38 -0.02 0.91 115.31 122.82 1wi3 h LEU 41 Ca 0.05 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1wi3 h LEU 41 Cb 0.88 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1wi3 h LEU 41 CO 0.08 1.24 0.00 -1.28 0.09 0.00 0.00 178.44 178.57 1wi3 h SER 42 N 0.67 0.00 0.00 -0.43 0.87 -0.06 -2.25 113.55 112.35 1wi3 h SER 42 Ca 0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.59 1wi3 h SER 42 Cb 1.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.03 1wi3 h SER 42 CO 0.11 0.00 -0.13 0.00 -0.53 0.00 0.00 176.83 176.28 1wi3 n ALA 43 N -1.86 0.11 -0.33 6.23 0.00 -0.50 -0.97 120.51 123.19 1wi3 n ALA 43 Ca 0.02 -0.30 0.25 0.00 0.00 0.00 0.00 53.44 53.41 1wi3 n ALA 43 Cb 0.28 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.20 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 -0.14 0.01 0.00 0.00 4.15 0.72 0.96 115.11 120.80 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 0.13 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.76 1wi3 h GLN 44 CO 0.00 0.01 -1.85 1.28 -1.93 0.00 0.00 178.83 176.33 1wi3 n LEU 45 N -5.35 0.62 0.00 -2.39 4.77 -0.85 -4.97 117.00 108.84 1wi3 n LEU 45 Ca 0.32 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.59 1wi3 n LEU 45 Cb 1.07 0.24 0.00 0.00 -2.33 0.00 0.00 43.42 42.40 1wi3 n LEU 45 CO -0.02 0.38 0.00 -0.67 -1.33 0.00 0.00 177.39 175.75 1wi3 n ASP 46 N -2.93 -2.25 -4.97 -1.43 2.03 0.33 -5.03 116.55 102.30 1wi3 n ASP 46 Ca -0.20 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 54.90 1wi3 n ASP 46 Cb 1.04 -0.47 -0.01 0.00 -0.72 0.00 0.00 41.12 40.97 1wi3 n ASP 46 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1wi3 s LEU 47 N 0.00 3.99 0.69 -2.67 1.43 -0.15 -4.89 118.68 117.09 1wi3 s LEU 47 Ca 0.00 0.10 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 1wi3 s LEU 47 Cb 0.00 -2.98 0.01 0.00 0.03 0.00 0.00 46.19 43.25 1wi3 s LEU 47 CO 0.00 -0.38 1.06 -2.16 0.23 0.00 0.00 176.35 175.10 1wi3 s PRO 48 N -4.24 2.96 0.04 1.29 0.04 -1.26 -3.97 135.00 129.85 1wi3 s PRO 48 Ca 0.42 0.96 -0.26 0.00 0.04 0.00 0.00 61.00 62.17 1wi3 s PRO 48 Cb -0.10 -1.99 -0.17 0.00 0.04 0.00 0.00 34.50 32.28 1wi3 s PRO 48 CO 0.33 -1.08 1.47 0.87 0.04 0.00 0.00 177.00 178.63 1wi3 h LYS 49 N -0.67 -0.27 -0.85 4.56 1.57 -1.93 -1.43 116.57 117.55 1wi3 h LYS 49 Ca -0.44 0.02 0.19 0.00 -1.87 0.00 0.00 60.65 58.55 1wi3 h LYS 49 Cb 1.21 0.06 -0.11 0.00 0.08 0.00 0.00 32.23 33.47 1wi3 h LYS 49 CO 0.57 -0.03 0.35 1.12 -0.57 0.00 0.00 179.45 180.89 1wi3 h HIS 50 N -0.48 0.59 0.94 -1.35 2.07 -1.97 1.41 115.15 116.36 1wi3 h HIS 50 Ca -0.03 0.04 -0.05 0.00 -2.85 0.00 0.00 60.37 57.48 1wi3 h HIS 50 Cb 0.36 -0.13 0.01 0.00 2.57 0.00 0.00 27.41 30.23 1wi3 h HIS 50 CO -0.01 -0.01 -0.46 1.15 -3.07 0.00 0.00 177.93 175.54 1wi3 h THR 51 N 0.42 0.07 -0.25 6.12 2.02 -1.88 1.16 112.91 120.57 1wi3 h THR 51 Ca 0.50 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.71 1wi3 h THR 51 Cb 0.88 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1wi3 h THR 51 CO -0.49 0.00 0.06 0.40 0.37 0.00 0.00 175.52 175.86 1wi3 h ILE 52 N -1.27 0.90 0.64 3.11 2.04 -0.17 -0.41 117.51 122.35 1wi3 h ILE 52 Ca -0.13 -0.05 -0.02 0.00 1.00 0.00 0.00 64.86 65.65 1wi3 h ILE 52 Cb 0.98 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.77 1wi3 h ILE 52 CO 0.21 0.03 -0.48 0.40 0.00 0.00 0.00 178.15 178.31 1wi3 h ILE 53 N 0.16 0.00 -0.20 -0.67 2.04 0.20 -1.34 117.51 117.70 1wi3 h ILE 53 Ca 0.11 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.99 1wi3 h ILE 53 Cb 0.11 0.00 -0.03 0.00 -0.74 0.00 0.00 36.82 36.16 1wi3 h ILE 53 CO -0.14 0.00 -0.15 0.11 0.00 0.00 0.00 178.15 177.97 1wi3 h LYS 54 N -1.08 -0.04 -0.91 2.37 1.57 0.16 0.26 116.57 118.90 1wi3 h LYS 54 Ca -0.08 0.00 0.10 0.00 -1.87 0.00 0.00 60.65 58.80 1wi3 h LYS 54 Cb 0.89 0.01 -0.12 0.00 0.08 0.00 0.00 32.23 33.09 1wi3 h LYS 54 CO 0.03 -0.03 -0.49 0.34 -0.57 0.00 0.00 179.45 178.73 1wi3 n PHE 55 N -3.51 -0.28 -0.17 -1.35 7.35 -0.18 0.08 117.46 119.41 1wi3 n PHE 55 Ca -0.00 1.14 -0.05 0.00 -0.76 0.00 0.00 57.45 57.77 1wi3 n PHE 55 Cb 0.08 -0.65 0.01 0.00 0.35 0.00 0.00 39.48 39.26 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 -0.80 -1.26 -5.13 0.04 0.04 0.58 116.94 110.41 1wi3 h PHE 56 Ca 0.20 0.06 0.36 0.00 2.80 0.00 0.00 57.97 61.39 1wi3 h PHE 56 Cb 0.43 0.43 -0.07 0.00 2.20 0.00 0.00 35.95 38.93 1wi3 h PHE 56 CO -0.90 -0.36 0.88 1.96 -0.60 0.00 0.00 178.31 179.29 1wi3 h GLN 57 N -0.17 0.09 -0.33 1.51 4.20 0.16 1.21 115.11 121.78 1wi3 h GLN 57 Ca 0.22 -0.01 -0.14 0.00 0.06 0.00 0.00 58.65 58.78 1wi3 h GLN 57 Cb 0.53 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 1wi3 h GLN 57 CO -0.61 0.06 -0.34 -0.97 -0.67 0.00 0.00 178.83 176.31 1wi3 h ASN 58 N 0.10 0.86 -0.01 1.46 -0.73 0.74 -2.56 115.58 115.44 1wi3 h ASN 58 Ca 0.64 -0.47 0.00 0.00 1.87 0.00 0.00 56.30 58.34 1wi3 h ASN 58 Cb 2.30 -0.24 -0.00 0.00 0.27 0.00 0.00 38.32 40.65 1wi3 h ASN 58 CO -0.12 1.16 -0.01 1.56 -0.37 0.00 0.00 177.43 179.66 1wi3 h GLN 59 N 0.58 -0.01 0.14 6.67 1.08 0.19 -2.00 115.11 121.77 1wi3 h GLN 59 Ca 0.05 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.27 1wi3 h GLN 59 Cb 0.92 0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 28.31 1wi3 h GLN 59 CO 0.08 -0.00 -0.46 0.00 -0.95 0.00 0.00 178.83 177.50 1wi3 h ARG 60 N -0.01 -0.68 -0.86 1.46 3.08 -1.22 -0.93 114.38 115.21 1wi3 h ARG 60 Ca 0.01 0.05 0.22 0.00 0.07 0.00 0.00 59.98 60.33 1wi3 h ARG 60 Cb 0.02 0.16 -0.14 0.00 0.08 0.00 0.00 29.97 30.09 1wi3 h ARG 60 CO -0.02 -0.45 0.25 -0.92 -1.07 0.00 0.00 179.97 177.76 1wi3 h TYR 61 N -0.71 0.38 0.00 3.04 3.20 -1.33 -2.68 116.97 118.87 1wi3 h TYR 61 Ca 0.01 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1wi3 h TYR 61 Cb 0.72 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.96 1wi3 h TYR 61 CO -0.39 -0.17 0.00 0.72 -1.64 0.00 0.00 178.16 176.68 1wi3 n HIS 62 N -5.19 0.00 -1.56 -3.82 8.25 -0.59 -4.70 115.22 107.61 1wi3 n HIS 62 Ca 0.20 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.27 1wi3 n HIS 62 Cb 0.65 -0.25 0.03 0.00 1.12 0.00 0.00 29.99 31.54 1wi3 n HIS 62 CO 0.00 0.00 0.00 1.55 0.64 0.00 0.00 176.34 178.53 1wi3 n VAL 63 N -1.29 2.77 -4.26 1.59 3.14 -0.46 -5.01 118.33 114.82 1wi3 n VAL 63 Ca 0.00 -0.50 -0.14 0.00 -2.96 0.00 0.00 64.34 60.74 1wi3 n VAL 63 Cb 0.00 -0.96 -0.10 0.00 -1.06 0.00 0.00 33.84 31.72 1wi3 n VAL 63 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 1wi3 s LYS 64 N -2.26 1.15 -0.27 1.45 -0.14 -1.26 -4.83 119.74 113.58 1wi3 s LYS 64 Ca 0.69 -1.56 -0.01 0.00 -1.36 0.00 0.00 55.97 53.73 1wi3 s LYS 64 Cb -0.48 -0.33 0.00 0.00 -1.68 0.00 0.00 37.83 35.34 1wi3 s LYS 64 CO 0.53 -0.12 0.04 0.72 -0.76 0.00 0.00 175.35 175.76 1wi3 n HIS 65 N -0.27 -3.32 -4.35 3.18 8.25 -1.26 -5.03 115.22 112.41 1wi3 n HIS 65 Ca -0.06 1.46 -0.24 0.00 -0.26 0.00 0.00 57.72 58.62 1wi3 n HIS 65 Cb 0.63 -3.51 -0.09 0.00 1.12 0.00 0.00 29.99 28.15 1wi3 n HIS 65 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1wi3 s SER 66 N -1.58 4.15 0.00 0.41 1.04 -1.26 -5.09 113.70 111.36 1wi3 s SER 66 Ca 0.02 -0.97 0.00 0.00 0.48 0.00 0.00 55.95 55.48 1wi3 s SER 66 Cb -0.00 -0.54 0.00 0.00 0.10 0.00 0.00 66.02 65.58 1wi3 s SER 66 CO 0.66 -0.19 0.47 0.61 0.98 0.00 0.00 173.24 175.77 1wi3 n GLY 67 N -0.91 -2.98 3.56 7.32 0.00 -1.26 -4.38 105.19 106.54 1wi3 n GLY 67 Ca -0.04 0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 1wi3 n GLY 67 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wi3 s PRO 68 N -0.94 3.09 0.08 1.61 0.04 -1.26 -4.95 135.00 132.66 1wi3 s PRO 68 Ca 0.00 0.38 -0.31 0.00 0.04 0.00 0.00 61.00 61.12 1wi3 s PRO 68 Cb 0.00 -4.21 -0.09 0.00 0.04 0.00 0.00 34.50 30.23 1wi3 s PRO 68 CO 0.00 -2.20 1.85 -1.12 0.04 0.00 0.00 177.00 175.56 1wi3 s SER 69 N 5.37 6.46 0.00 6.66 0.01 -1.26 -4.92 113.70 126.02 1wi3 s SER 69 Ca 0.54 2.67 0.00 0.00 1.31 0.00 0.00 55.95 60.47 1wi3 s SER 69 Cb -0.11 -2.55 0.00 0.00 0.21 0.00 0.00 66.02 63.57 1wi3 s SER 69 CO 0.22 -1.00 0.00 -1.20 0.41 0.00 0.00 173.24 171.66 1wi3 n SER 70 N 6.37 0.00 0.00 2.44 7.64 -1.26 -5.19 113.62 123.62 1wi3 n SER 70 Ca 0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1wi3 n SER 70 Cb 0.40 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1wi3 n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64