#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 -1.11 0.13 1.61 7.64 -1.26 -5.05 113.62 115.58 1wi3 n SER 2 Ca 0.00 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.39 1wi3 n SER 2 Cb 0.00 1.33 0.00 0.00 -1.01 0.00 0.00 64.21 64.53 1wi3 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1wi3 n SER 3 N -2.94 -2.38 -4.89 6.43 7.64 -1.26 -5.15 113.62 111.07 1wi3 n SER 3 Ca 0.00 0.57 -0.22 0.00 1.01 0.00 0.00 58.87 60.23 1wi3 n SER 3 Cb 0.00 2.40 -0.02 0.00 -1.01 0.00 0.00 64.21 65.57 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 -2.00 2.16 0.40 0.23 0.00 -1.26 -4.78 107.32 102.07 1wi3 s GLY 4 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 42.92 1wi3 s GLY 4 CO 0.00 -1.75 0.00 -1.14 0.00 0.00 0.00 173.10 170.21 1wi3 n SER 5 N -1.62 -3.57 0.19 1.64 3.41 -1.26 -5.02 113.62 107.39 1wi3 n SER 5 Ca 0.03 0.78 0.00 0.00 -0.26 0.00 0.00 58.87 59.43 1wi3 n SER 5 Cb 0.62 3.39 0.00 0.00 -0.26 0.00 0.00 64.21 67.96 1wi3 n SER 5 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1wi3 n SER 6 N -3.31 -2.37 -4.96 4.04 3.41 -1.26 -5.14 113.62 104.02 1wi3 n SER 6 Ca 0.00 0.70 -0.19 0.00 -0.26 0.00 0.00 58.87 59.12 1wi3 n SER 6 Cb 0.00 2.32 -0.01 0.00 -0.26 0.00 0.00 64.21 66.26 1wi3 n SER 6 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1wi3 s GLY 7 N -3.33 1.93 -0.34 5.00 0.00 -1.26 -5.05 107.32 104.27 1wi3 s GLY 7 Ca 0.00 -1.69 -0.29 0.00 0.00 0.00 0.00 44.72 42.74 1wi3 s GLY 7 CO 0.00 -1.53 1.37 2.56 0.00 0.00 0.00 173.10 175.50 1wi3 s PRO 8 N -4.24 3.77 0.00 2.90 0.04 -1.26 -4.39 135.00 131.82 1wi3 s PRO 8 Ca 0.51 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.71 1wi3 s PRO 8 Cb -0.08 -3.95 0.00 0.00 0.04 0.00 0.00 34.50 30.51 1wi3 s PRO 8 CO 0.31 -1.31 0.00 0.54 0.04 0.00 0.00 177.00 176.58 1wi3 n ARG 9 N 7.64 0.00 -1.04 4.56 1.74 -1.26 -4.76 116.66 123.54 1wi3 n ARG 9 Ca 0.16 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.24 1wi3 n ARG 9 Cb 0.47 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.91 1wi3 n ARG 9 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1wi3 n SER 10 N 1.92 -3.59 -3.67 0.55 2.88 -1.26 -5.04 113.62 105.41 1wi3 n SER 10 Ca 0.00 0.35 -0.08 0.00 -1.33 0.00 0.00 58.87 57.80 1wi3 n SER 10 Cb 0.00 -1.91 -0.09 0.00 -0.75 0.00 0.00 64.21 61.46 1wi3 n SER 10 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1wi3 s ARG 11 N -2.15 0.48 0.24 -1.46 0.52 -1.26 -4.91 118.95 110.41 1wi3 s ARG 11 Ca 0.00 1.00 0.07 0.00 -0.52 0.00 0.00 55.73 56.28 1wi3 s ARG 11 Cb 0.00 0.14 -0.04 0.00 0.52 0.00 0.00 34.95 35.58 1wi3 s ARG 11 CO 0.00 -0.17 0.20 -0.08 0.02 0.00 0.00 175.30 175.27 1wi3 s THR 12 N 1.77 4.49 -0.06 0.02 -1.32 -1.26 -5.10 115.64 114.18 1wi3 s THR 12 Ca -0.08 -1.36 -0.19 0.00 -1.21 0.00 0.00 61.69 58.84 1wi3 s THR 12 Cb -0.08 -3.42 -0.05 0.00 -1.51 0.00 0.00 72.50 67.44 1wi3 s THR 12 CO -0.15 -0.33 0.54 -0.54 -2.21 0.00 0.00 174.62 171.92 1wi3 s LYS 13 N -3.79 4.31 -0.26 7.08 1.02 -1.26 -5.04 119.74 121.80 1wi3 s LYS 13 Ca 0.33 0.60 -0.22 0.00 0.02 0.00 0.00 55.97 56.70 1wi3 s LYS 13 Cb -0.08 -3.38 -0.01 0.00 -0.52 0.00 0.00 37.83 33.83 1wi3 s LYS 13 CO 0.25 0.27 0.70 0.42 -0.92 0.00 0.00 175.35 176.07 1wi3 s ILE 14 N 0.20 4.93 0.29 2.17 1.01 -1.26 -4.93 121.20 123.60 1wi3 s ILE 14 Ca 0.29 1.24 -0.03 0.00 0.00 0.00 0.00 60.65 62.16 1wi3 s ILE 14 Cb -0.17 -4.00 0.43 0.00 0.01 0.00 0.00 42.46 38.73 1wi3 s ILE 14 CO 0.14 -0.03 1.51 -1.20 0.00 0.00 0.00 174.94 175.36 1wi3 n SER 15 N 5.83 -0.22 0.00 3.58 7.64 -1.26 -4.83 113.62 124.36 1wi3 n SER 15 Ca 0.01 1.65 0.00 0.00 1.01 0.00 0.00 58.87 61.55 1wi3 n SER 15 Cb 0.48 -0.55 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 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 -5.50 0.00 0.00 -3.43 7.94 -1.26 -5.03 117.00 109.71 1wi3 n LEU 16 Ca 0.19 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.09 1wi3 n LEU 16 Cb 0.62 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.57 1wi3 n LEU 16 CO -0.09 0.00 0.14 -0.62 -1.11 0.00 0.00 177.39 175.70 1wi3 n GLU 17 N 0.00 0.00 -0.19 1.96 1.02 -1.26 0.99 120.64 123.16 1wi3 n GLU 17 Ca 0.00 0.27 -0.05 0.00 -0.02 0.00 0.00 57.16 57.36 1wi3 n GLU 17 Cb 0.00 -0.67 -0.04 0.00 -0.02 0.00 0.00 31.44 30.70 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 -0.28 -0.02 0.62 0.00 -1.26 0.15 120.51 118.32 1wi3 n ALA 18 Ca 0.00 0.39 -0.10 0.00 0.00 0.00 0.00 53.44 53.73 1wi3 n ALA 18 Cb 0.00 -0.07 -0.06 0.00 0.00 0.00 0.00 19.45 19.32 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 -1.13 -0.65 0.00 5.85 -1.35 0.50 115.31 118.53 1wi3 h LEU 19 Ca 0.07 0.14 0.13 0.00 0.84 0.00 0.00 57.88 59.06 1wi3 h LEU 19 Cb 0.19 0.44 -0.10 0.00 0.37 0.00 0.00 40.66 41.56 1wi3 h LEU 19 CO -0.42 -0.30 0.11 1.23 -0.34 0.00 0.00 178.44 178.72 1wi3 h GLY 20 N -0.35 0.83 -0.16 3.75 0.00 0.85 1.33 103.07 109.30 1wi3 h GLY 20 Ca 0.02 -0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.42 1wi3 h GLY 20 CO -0.30 -0.16 -0.38 -2.22 0.00 0.00 0.00 176.54 173.48 1wi3 h ILE 21 N 0.23 0.17 -0.07 2.60 2.04 0.22 1.48 117.51 124.18 1wi3 h ILE 21 Ca 0.35 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 66.10 1wi3 h ILE 21 Cb 0.56 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1wi3 h ILE 21 CO -0.47 0.00 -0.47 0.17 0.00 0.00 0.00 178.15 177.38 1wi3 h LEU 22 N -0.33 0.18 -0.76 1.44 8.10 0.33 -2.79 115.31 121.48 1wi3 h LEU 22 Ca 0.14 -0.09 -0.03 0.00 0.11 0.00 0.00 57.88 58.01 1wi3 h LEU 22 Cb 0.57 -0.05 -0.03 0.00 -0.44 0.00 0.00 40.66 40.71 1wi3 h LEU 22 CO -0.52 0.64 0.34 -0.61 -4.11 0.00 0.00 178.44 174.18 1wi3 h GLN 23 N 0.14 1.12 -0.73 0.17 -0.00 0.47 -1.19 115.11 115.09 1wi3 h GLN 23 Ca 0.01 -0.18 -0.06 0.00 -0.00 0.00 0.00 58.65 58.42 1wi3 h GLN 23 Cb 0.89 -0.19 -0.03 0.00 0.00 0.00 0.00 27.48 28.15 1wi3 h GLN 23 CO 0.07 0.89 0.22 1.03 0.00 0.00 0.00 178.83 181.04 1wi3 h SER 24 N 1.09 1.06 0.21 -0.69 0.87 0.21 -2.16 113.55 114.14 1wi3 h SER 24 Ca 0.26 -0.21 -0.06 0.00 -1.23 0.00 0.00 61.79 60.55 1wi3 h SER 24 Cb 0.16 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.83 1wi3 h SER 24 CO -0.03 0.99 -0.25 0.15 -0.53 0.00 0.00 176.83 177.16 1wi3 h PHE 25 N 1.08 0.07 -0.70 2.24 3.04 -1.18 -0.99 116.94 120.49 1wi3 h PHE 25 Ca 0.23 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.11 1wi3 h PHE 25 Cb 0.31 -0.02 -0.03 0.00 2.56 0.00 0.00 35.95 38.77 1wi3 h PHE 25 CO 0.03 0.31 0.19 0.82 -2.02 0.00 0.00 178.31 177.64 1wi3 h ILE 26 N 0.06 1.26 0.00 1.41 2.04 -0.58 0.90 117.51 122.60 1wi3 h ILE 26 Ca 0.01 -0.94 0.00 0.00 1.00 0.00 0.00 64.86 64.93 1wi3 h ILE 26 Cb 0.48 0.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.08 1wi3 h ILE 26 CO 0.03 0.36 -0.00 1.57 0.00 0.00 0.00 178.15 180.11 1wi3 n HIS 27 N -4.27 0.64 -0.10 1.37 -0.00 -0.90 0.19 115.22 112.16 1wi3 n HIS 27 Ca 0.05 0.19 -0.20 0.00 0.46 0.00 0.00 57.72 58.21 1wi3 n HIS 27 Cb 0.24 -0.81 -0.11 0.00 -0.12 0.00 0.00 29.99 29.20 1wi3 n HIS 27 CO 0.00 0.00 0.00 -0.44 0.46 0.00 0.00 176.34 176.36 1wi3 h ASP 28 N 0.00 0.00 0.01 0.26 5.19 -0.04 -3.42 116.42 118.42 1wi3 h ASP 28 Ca 0.00 -0.56 -0.35 0.00 -0.62 0.00 0.00 57.03 55.50 1wi3 h ASP 28 Cb 0.66 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.12 1wi3 h ASP 28 CO 0.00 1.41 -1.90 1.33 -3.12 0.00 0.00 179.24 176.96 1wi3 n VAL 29 N -4.46 1.55 0.00 -1.35 0.24 0.30 -5.07 118.33 109.53 1wi3 n VAL 29 Ca -0.29 -0.24 0.00 0.00 -2.04 0.00 0.00 64.34 61.77 1wi3 n VAL 29 Cb 0.64 -1.93 0.00 0.00 -1.47 0.00 0.00 33.84 31.09 1wi3 n VAL 29 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wi3 n GLY 30 N 1.43 0.50 2.49 7.63 0.00 0.50 -4.87 105.19 112.87 1wi3 n GLY 30 Ca -0.42 -1.37 -0.18 0.00 0.00 0.00 0.00 46.02 44.05 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 3.44 -3.02 0.99 4.77 -1.26 -4.19 117.00 117.73 1wi3 n LEU 31 Ca 0.00 -4.42 -0.16 0.00 -0.03 0.00 0.00 56.01 51.40 1wi3 n LEU 31 Cb 0.00 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.02 1wi3 n LEU 31 CO 0.00 1.86 -0.06 -1.22 -1.33 0.00 0.00 177.39 176.65 1wi3 n TYR 32 N -0.43 -1.14 -1.52 -1.77 4.01 -1.26 -5.02 117.16 110.02 1wi3 n TYR 32 Ca 0.27 -3.08 -0.29 0.00 -0.16 0.00 0.00 57.90 54.64 1wi3 n TYR 32 Cb 0.78 0.34 0.18 0.00 -0.31 0.00 0.00 39.34 40.33 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 -1.08 0.38 0.25 -0.72 0.04 -1.26 -5.09 135.00 127.52 1wi3 s PRO 33 Ca 0.34 0.01 0.06 0.00 0.04 0.00 0.00 61.00 61.44 1wi3 s PRO 33 Cb 0.28 -1.78 -0.05 0.00 0.04 0.00 0.00 34.50 32.98 1wi3 s PRO 33 CO -0.10 -2.65 -0.06 0.16 0.04 0.00 0.00 177.00 174.39 1wi3 s ASP 34 N -4.23 2.48 0.59 6.66 1.47 -1.26 -4.95 116.67 117.42 1wi3 s ASP 34 Ca 0.68 -1.17 0.33 0.00 1.18 0.00 0.00 52.55 53.58 1wi3 s ASP 34 Cb -0.10 -0.12 1.27 0.00 -0.34 0.00 0.00 42.92 43.63 1wi3 s ASP 34 CO 0.54 -0.36 1.53 1.56 0.68 0.00 0.00 175.17 179.12 1wi3 h GLN 35 N 2.38 0.00 0.02 2.11 4.20 -1.98 0.80 115.11 122.63 1wi3 h GLN 35 Ca -0.39 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.32 1wi3 h GLN 35 Cb 1.23 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.01 1wi3 h GLN 35 CO 0.66 0.00 -0.01 1.49 -0.67 0.00 0.00 178.83 180.30 1wi3 h GLU 36 N 0.00 -0.02 -0.84 1.46 4.81 -1.98 -2.02 114.58 115.98 1wi3 h GLU 36 Ca 0.54 0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.82 1wi3 h GLU 36 Cb 2.70 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 32.03 1wi3 h GLU 36 CO -0.01 0.73 0.53 0.00 -0.73 0.00 0.00 179.01 179.53 1wi3 h ALA 37 N -0.08 1.13 -0.71 2.92 0.00 0.04 -0.60 119.26 121.96 1wi3 h ALA 37 Ca -0.00 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1wi3 h ALA 37 Cb 0.76 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.27 1wi3 h ALA 37 CO 0.00 0.31 0.26 0.82 0.00 0.00 0.00 179.25 180.65 1wi3 h ILE 38 N 1.00 1.25 -0.83 0.00 2.04 -0.60 -0.97 117.51 119.39 1wi3 h ILE 38 Ca 0.35 -0.82 0.03 0.00 1.00 0.00 0.00 64.86 65.42 1wi3 h ILE 38 Cb 0.09 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 36.58 1wi3 h ILE 38 CO -0.15 0.33 0.55 -0.74 0.00 0.00 0.00 178.15 178.14 1wi3 h HIS 39 N 1.03 1.00 -0.21 1.37 2.76 -0.41 0.44 115.15 121.14 1wi3 h HIS 39 Ca 0.23 0.02 -0.14 0.00 -2.20 0.00 0.00 60.37 58.29 1wi3 h HIS 39 Cb 0.25 -0.34 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 1wi3 h HIS 39 CO 0.02 0.59 -0.44 1.15 -1.30 0.00 0.00 177.93 177.95 1wi3 h THR 40 N 1.04 1.31 -0.21 6.26 2.02 -0.46 -1.21 112.91 121.67 1wi3 h THR 40 Ca 0.33 -1.63 -0.18 0.00 0.77 0.00 0.00 66.41 65.70 1wi3 h THR 40 Cb 0.01 1.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.05 1wi3 h THR 40 CO -0.09 0.51 -0.60 -0.07 0.37 0.00 0.00 175.52 175.63 1wi3 h LEU 41 N 0.42 0.78 -0.68 2.58 3.38 0.13 0.83 115.31 122.75 1wi3 h LEU 41 Ca 0.03 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.56 1wi3 h LEU 41 Cb 0.94 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1wi3 h LEU 41 CO 0.08 1.20 0.00 -1.28 0.09 0.00 0.00 178.44 178.54 1wi3 h SER 42 N 0.52 0.00 0.00 -0.43 0.87 -0.01 -2.33 113.55 112.17 1wi3 h SER 42 Ca -0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1wi3 h SER 42 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 1wi3 h SER 42 CO 0.12 0.00 -0.19 0.00 -0.53 0.00 0.00 176.83 176.23 1wi3 n ALA 43 N -1.88 0.17 -0.33 6.23 0.00 -0.47 -0.87 120.51 123.37 1wi3 n ALA 43 Ca 0.03 -0.33 0.25 0.00 0.00 0.00 0.00 53.44 53.38 1wi3 n ALA 43 Cb 0.31 0.01 0.47 0.00 0.00 0.00 0.00 19.45 20.24 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 -0.21 0.06 0.00 0.00 4.15 0.55 0.78 115.11 120.43 1wi3 h GLN 44 Ca 0.00 -0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.11 1wi3 h GLN 44 Cb 0.19 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.81 1wi3 h GLN 44 CO 0.00 0.04 -1.90 1.28 -1.93 0.00 0.00 178.83 176.32 1wi3 n LEU 45 N -5.30 0.61 0.00 -2.39 4.77 -0.88 -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 1.06 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 42.42 1wi3 n LEU 45 CO 0.00 0.41 0.00 -0.67 -1.33 0.00 0.00 177.39 175.80 1wi3 n ASP 46 N -2.94 -2.09 -4.97 -1.43 -0.08 0.27 -5.03 116.55 100.27 1wi3 n ASP 46 Ca -0.21 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 52.86 1wi3 n ASP 46 Cb 1.07 -0.45 -0.01 0.00 2.34 0.00 0.00 41.12 44.08 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 4.00 0.67 -2.67 1.43 -0.04 -4.89 118.68 117.18 1wi3 s LEU 47 Ca 0.00 0.03 -0.12 0.00 -1.03 0.00 0.00 54.13 53.02 1wi3 s LEU 47 Cb 0.00 -2.91 -0.00 0.00 0.03 0.00 0.00 46.19 43.30 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 -4.21 3.03 0.06 1.29 0.04 -1.26 -3.96 135.00 129.99 1wi3 s PRO 48 Ca 0.42 1.00 -0.28 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 32.27 1wi3 s PRO 48 CO 0.32 -1.02 1.55 0.87 0.04 0.00 0.00 177.00 178.76 1wi3 h LYS 49 N -0.48 -0.53 -0.63 4.56 1.57 -1.93 -1.70 116.57 117.43 1wi3 h LYS 49 Ca -0.44 0.04 0.13 0.00 -1.87 0.00 0.00 60.65 58.50 1wi3 h LYS 49 Cb 1.21 0.12 -0.12 0.00 0.08 0.00 0.00 32.23 33.52 1wi3 h LYS 49 CO 0.57 -0.30 -0.09 1.12 -0.57 0.00 0.00 179.45 180.18 1wi3 h HIS 50 N -0.64 -0.22 0.05 -1.35 2.07 -1.97 1.42 115.15 114.51 1wi3 h HIS 50 Ca -0.06 0.05 0.03 0.00 -2.85 0.00 0.00 60.37 57.54 1wi3 h HIS 50 Cb 0.47 0.20 -0.05 0.00 2.57 0.00 0.00 27.41 30.60 1wi3 h HIS 50 CO -0.03 -0.24 -0.38 1.15 -3.07 0.00 0.00 177.93 175.37 1wi3 h THR 51 N 0.04 0.22 -0.23 6.12 2.02 -1.86 1.46 112.91 120.67 1wi3 h THR 51 Ca 0.32 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.50 1wi3 h THR 51 Cb 0.50 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.12 1wi3 h THR 51 CO -0.61 0.00 0.14 0.40 0.37 0.00 0.00 175.52 175.82 1wi3 h ILE 52 N -0.57 1.09 0.20 3.11 2.04 -0.21 -0.94 117.51 122.24 1wi3 h ILE 52 Ca 0.04 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 1wi3 h ILE 52 Cb 0.63 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1wi3 h ILE 52 CO -0.26 0.08 -0.18 0.40 0.00 0.00 0.00 178.15 178.19 1wi3 h ILE 53 N 0.29 0.00 -0.46 -0.67 2.04 0.25 -1.14 117.51 117.83 1wi3 h ILE 53 Ca 0.08 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.99 1wi3 h ILE 53 Cb 0.01 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.04 1wi3 h ILE 53 CO -0.02 0.00 -0.28 0.11 0.00 0.00 0.00 178.15 177.97 1wi3 h LYS 54 N -0.38 -0.01 -0.74 2.37 6.56 0.20 -0.07 116.57 124.52 1wi3 h LYS 54 Ca -0.03 0.00 0.07 0.00 -1.06 0.00 0.00 60.65 59.63 1wi3 h LYS 54 Cb 0.32 0.00 -0.09 0.00 -0.57 0.00 0.00 32.23 31.90 1wi3 h LYS 54 CO -0.01 -0.01 -0.43 0.34 -2.06 0.00 0.00 179.45 177.28 1wi3 n PHE 55 N -4.06 -0.32 -0.25 -1.35 7.35 -0.36 0.05 117.46 118.52 1wi3 n PHE 55 Ca 0.01 0.92 -0.03 0.00 -0.76 0.00 0.00 57.45 57.58 1wi3 n PHE 55 Cb 0.12 -0.55 0.02 0.00 0.35 0.00 0.00 39.48 39.43 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 -0.89 -0.97 -5.13 0.04 0.26 0.16 116.94 110.40 1wi3 h PHE 56 Ca 0.12 0.08 0.19 0.00 2.80 0.00 0.00 57.97 61.16 1wi3 h PHE 56 Cb 0.30 0.49 -0.18 0.00 2.20 0.00 0.00 35.95 38.76 1wi3 h PHE 56 CO -0.89 -0.38 -0.24 1.04 -0.60 0.00 0.00 178.31 177.23 1wi3 n GLN 57 N -5.45 -0.09 -0.16 1.51 6.02 0.11 0.18 117.38 119.50 1wi3 n GLN 57 Ca 0.06 1.51 -0.08 0.00 -0.01 0.00 0.00 57.00 58.49 1wi3 n GLN 57 Cb 0.37 -2.26 0.01 0.00 1.02 0.00 0.00 30.24 29.37 1wi3 n GLN 57 CO 0.00 0.00 0.00 -0.97 -1.01 0.00 0.00 177.06 175.08 1wi3 h ASN 58 N 0.00 0.58 -0.35 1.08 -1.24 -0.41 -2.96 115.58 112.29 1wi3 h ASN 58 Ca 0.46 -0.10 0.05 0.00 0.71 0.00 0.00 56.30 57.43 1wi3 h ASN 58 Cb 0.71 -0.15 -0.08 0.00 0.73 0.00 0.00 38.32 39.53 1wi3 h ASN 58 CO -1.00 0.52 -0.50 -0.61 -1.29 0.00 0.00 177.43 174.55 1wi3 h GLN 59 N 0.61 -0.39 -0.89 6.67 5.75 0.26 0.78 115.11 127.89 1wi3 h GLN 59 Ca 0.16 0.03 0.18 0.00 -0.15 0.00 0.00 58.65 58.87 1wi3 h GLN 59 Cb 0.07 0.09 -0.17 0.00 1.07 0.00 0.00 27.48 28.54 1wi3 h GLN 59 CO -0.02 -0.26 -0.21 0.00 -2.65 0.00 0.00 178.83 175.68 1wi3 h ARG 60 N -0.41 0.00 -0.17 1.69 3.08 -1.01 0.97 114.38 118.54 1wi3 h ARG 60 Ca 0.09 -0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 1wi3 h ARG 60 Cb 0.61 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.65 1wi3 h ARG 60 CO -0.55 0.00 -0.42 -0.92 -1.07 0.00 0.00 179.97 177.01 1wi3 h TYR 61 N 0.00 0.48 -3.75 3.04 3.20 -0.93 -3.36 116.97 115.65 1wi3 h TYR 61 Ca 0.43 -0.14 -0.79 0.00 3.14 0.00 0.00 58.73 61.38 1wi3 h TYR 61 Cb 0.67 -0.10 -0.26 0.00 1.54 0.00 0.00 36.73 38.57 1wi3 h TYR 61 CO -0.69 0.76 0.16 -1.01 -1.64 0.00 0.00 178.16 175.74 1wi3 s HIS 62 N -4.16 3.78 -0.10 -3.82 3.76 0.34 -4.98 115.29 110.11 1wi3 s HIS 62 Ca -0.06 -2.03 -0.24 0.00 -0.15 0.00 0.00 55.06 52.59 1wi3 s HIS 62 Cb 0.13 -3.84 0.05 0.00 1.11 0.00 0.00 32.58 30.03 1wi3 s HIS 62 CO 0.80 -1.01 0.56 0.54 -0.85 0.00 0.00 174.74 174.78 1wi3 s VAL 63 N 0.15 0.01 0.00 -0.90 0.11 -1.20 -4.63 120.40 113.94 1wi3 s VAL 63 Ca 0.20 -0.11 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 1wi3 s VAL 63 Cb -0.10 -0.85 0.00 0.00 -1.53 0.00 0.00 36.38 33.91 1wi3 s VAL 63 CO -0.09 -0.06 0.00 1.17 -3.33 0.00 0.00 175.10 172.79 1wi3 n LYS 64 N 1.61 0.00 -3.29 1.54 3.00 -1.26 -4.89 118.16 114.87 1wi3 n LYS 64 Ca -0.18 0.00 -0.41 0.00 -0.00 0.00 0.00 58.31 57.72 1wi3 n LYS 64 Cb 0.56 -0.06 -0.02 0.00 0.00 0.00 0.00 35.03 35.51 1wi3 n LYS 64 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 1wi3 n HIS 65 N -2.46 3.85 -3.63 5.64 8.25 -1.26 -4.95 115.22 120.66 1wi3 n HIS 65 Ca 0.00 -3.50 -0.03 0.00 -0.26 0.00 0.00 57.72 53.93 1wi3 n HIS 65 Cb 0.00 -1.33 -0.04 0.00 1.12 0.00 0.00 29.99 29.74 1wi3 n HIS 65 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1wi3 s SER 66 N -0.43 -0.08 0.00 0.41 0.01 -1.26 -5.14 113.70 107.22 1wi3 s SER 66 Ca 0.31 0.07 0.00 0.00 1.31 0.00 0.00 55.95 57.64 1wi3 s SER 66 Cb -0.02 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.27 1wi3 s SER 66 CO -0.02 -0.08 0.00 0.61 0.41 0.00 0.00 173.24 174.17 1wi3 n GLY 67 N 0.47 0.69 3.73 3.44 0.00 -1.26 -4.99 105.19 107.26 1wi3 n GLY 67 Ca -0.01 -0.59 -0.41 0.00 0.00 0.00 0.00 46.02 45.01 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 0.00 4.51 -0.23 1.61 0.04 -1.26 -4.99 135.00 134.69 1wi3 s PRO 68 Ca 0.00 1.74 0.01 0.00 0.04 0.00 0.00 61.00 62.78 1wi3 s PRO 68 Cb 0.00 -3.31 0.06 0.00 0.04 0.00 0.00 34.50 31.28 1wi3 s PRO 68 CO 0.00 -0.09 -0.06 -1.54 0.04 0.00 0.00 177.00 175.35 1wi3 s SER 69 N 0.47 3.76 0.62 6.66 1.04 -1.26 -5.05 113.70 119.95 1wi3 s SER 69 Ca 0.54 -1.12 0.00 0.00 0.48 0.00 0.00 55.95 55.84 1wi3 s SER 69 Cb -0.29 -1.18 0.00 0.00 0.10 0.00 0.00 66.02 64.65 1wi3 s SER 69 CO 0.32 -0.22 0.00 -1.20 0.98 0.00 0.00 173.24 173.12 1wi3 n SER 70 N 4.68 -8.51 0.00 7.02 7.64 -1.26 -5.31 113.62 117.87 1wi3 n SER 70 Ca -0.12 1.81 0.00 0.00 1.01 0.00 0.00 58.87 61.57 1wi3 n SER 70 Cb 0.44 -5.22 0.00 0.00 -1.01 0.00 0.00 64.21 58.43 1wi3 n SER 70 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64