#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 -2.57 -1.12 1.61 2.88 -1.26 -5.17 113.62 108.00 1wi3 n SER 2 Ca 0.00 0.72 0.14 0.00 -1.33 0.00 0.00 58.87 58.40 1wi3 n SER 2 Cb 0.00 2.48 -0.07 0.00 -0.75 0.00 0.00 64.21 65.87 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 -3.43 -6.15 0.00 -3.46 7.64 -1.26 -5.09 113.62 101.88 1wi3 n SER 3 Ca 0.00 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1wi3 n SER 3 Cb 0.00 -3.82 0.00 0.00 -1.01 0.00 0.00 64.21 59.38 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 -3.83 2.52 2.49 0.23 0.00 -1.26 -5.09 105.19 100.26 1wi3 n GLY 4 Ca -0.07 -1.15 -0.21 0.00 0.00 0.00 0.00 46.02 44.60 1wi3 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1wi3 n SER 5 N 0.00 -1.27 -3.99 1.61 2.88 -1.26 -5.11 113.62 106.48 1wi3 n SER 5 Ca 0.00 -2.51 -0.18 0.00 -1.33 0.00 0.00 58.87 54.85 1wi3 n SER 5 Cb 0.00 0.05 -0.15 0.00 -0.75 0.00 0.00 64.21 63.36 1wi3 n SER 5 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1wi3 s SER 6 N 0.27 0.92 -0.30 -3.46 1.04 -1.26 -5.10 113.70 105.80 1wi3 s SER 6 Ca 0.32 -0.14 -0.15 0.00 0.48 0.00 0.00 55.95 56.46 1wi3 s SER 6 Cb 0.03 -0.15 0.18 0.00 0.10 0.00 0.00 66.02 66.18 1wi3 s SER 6 CO -0.16 0.08 1.15 -0.83 0.98 0.00 0.00 173.24 174.46 1wi3 s GLY 7 N -0.04 -1.01 -0.04 7.32 0.00 -1.26 -5.14 107.32 107.16 1wi3 s GLY 7 Ca 0.01 2.18 -0.30 0.00 0.00 0.00 0.00 44.72 46.61 1wi3 s GLY 7 CO -0.00 4.26 1.21 2.56 0.00 0.00 0.00 173.10 181.13 1wi3 s PRO 8 N 2.78 4.36 0.96 2.90 0.04 -1.26 -5.00 135.00 139.78 1wi3 s PRO 8 Ca 0.29 1.70 -0.12 0.00 0.04 0.00 0.00 61.00 62.90 1wi3 s PRO 8 Cb 0.01 -3.53 0.06 0.00 0.04 0.00 0.00 34.50 31.08 1wi3 s PRO 8 CO -0.21 -0.43 0.53 2.89 0.04 0.00 0.00 177.00 179.82 1wi3 n ARG 9 N 5.04 -0.41 -4.41 4.56 0.00 -1.26 -5.02 116.66 115.16 1wi3 n ARG 9 Ca 0.11 -0.07 -0.26 0.00 -0.00 0.00 0.00 57.85 57.62 1wi3 n ARG 9 Cb 0.46 -1.95 -0.11 0.00 -0.00 0.00 0.00 32.46 30.87 1wi3 n ARG 9 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.63 176.51 1wi3 s SER 10 N -2.13 3.62 0.02 2.89 0.01 -1.26 -5.07 113.70 111.78 1wi3 s SER 10 Ca 0.59 -0.86 -0.17 0.00 1.31 0.00 0.00 55.95 56.82 1wi3 s SER 10 Cb -0.21 -0.35 -0.09 0.00 0.21 0.00 0.00 66.02 65.58 1wi3 s SER 10 CO 0.66 0.10 1.06 -0.09 0.41 0.00 0.00 173.24 175.38 1wi3 h ARG 11 N 2.91 -0.60 -5.77 12.44 2.43 -2.05 -3.45 114.38 120.30 1wi3 h ARG 11 Ca -0.45 0.04 -0.55 0.00 -0.81 0.00 0.00 59.98 58.21 1wi3 h ARG 11 Cb 1.22 0.14 -0.28 0.00 -0.42 0.00 0.00 29.97 30.62 1wi3 h ARG 11 CO 0.52 -0.40 -0.84 0.95 -1.51 0.00 0.00 179.97 178.70 1wi3 s THR 12 N -4.02 1.45 -0.15 0.20 -4.23 -1.26 -5.13 115.64 102.49 1wi3 s THR 12 Ca -0.09 -0.87 -0.09 0.00 -1.18 0.00 0.00 61.69 59.46 1wi3 s THR 12 Cb 0.01 -1.22 0.05 0.00 1.34 0.00 0.00 72.50 72.68 1wi3 s THR 12 CO 0.27 0.34 0.37 -0.54 -0.54 0.00 0.00 174.62 174.53 1wi3 s LYS 13 N -0.61 0.37 0.19 3.99 -0.14 -1.26 -5.07 119.74 117.21 1wi3 s LYS 13 Ca 0.07 0.70 0.00 0.00 -1.36 0.00 0.00 55.97 55.37 1wi3 s LYS 13 Cb -0.07 -0.00 0.00 0.00 -1.68 0.00 0.00 37.83 36.07 1wi3 s LYS 13 CO -0.00 -0.14 0.00 -0.89 -0.76 0.00 0.00 175.35 173.56 1wi3 n ILE 14 N 4.02-13.20 -0.34 2.17 5.41 -1.26 -4.66 119.36 111.51 1wi3 n ILE 14 Ca -0.22 3.30 0.11 0.00 1.00 0.00 0.00 62.75 66.94 1wi3 n ILE 14 Cb 0.55 -5.46 0.23 0.00 -0.71 0.00 0.00 39.64 34.25 1wi3 n ILE 14 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1wi3 n SER 15 N 1.83 -0.21 0.00 4.38 7.64 -1.26 -4.83 113.62 121.17 1wi3 n SER 15 Ca 0.00 1.66 0.00 0.00 1.01 0.00 0.00 58.87 61.54 1wi3 n SER 15 Cb 0.00 -0.56 0.00 0.00 -1.01 0.00 0.00 64.21 62.64 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 -5.51 0.00 0.00 -3.43 7.94 -1.26 -5.03 117.00 109.71 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 -0.09 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 -0.17 1.96 4.71 -1.26 0.85 120.64 126.73 1wi3 n GLU 17 Ca 0.00 0.27 -0.04 0.00 -0.01 0.00 0.00 57.16 57.37 1wi3 n GLU 17 Cb 0.00 -0.67 -0.04 0.00 -1.01 0.00 0.00 31.44 29.72 1wi3 n GLU 17 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1wi3 n ALA 18 N -1.41 -0.26 -0.08 0.62 0.00 -1.26 0.18 120.51 118.31 1wi3 n ALA 18 Ca 0.00 0.34 -0.12 0.00 0.00 0.00 0.00 53.44 53.66 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 -1.49 -0.80 0.00 5.85 -1.40 0.31 115.31 117.78 1wi3 h LEU 19 Ca 0.06 0.19 0.15 0.00 0.84 0.00 0.00 57.88 59.12 1wi3 h LEU 19 Cb 0.16 0.60 -0.10 0.00 0.37 0.00 0.00 40.66 41.70 1wi3 h LEU 19 CO -0.38 -0.35 0.36 1.23 -0.34 0.00 0.00 178.44 178.96 1wi3 h GLY 20 N -0.38 1.26 0.49 3.75 0.00 0.84 1.18 103.07 110.22 1wi3 h GLY 20 Ca 0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.18 1wi3 h GLY 20 CO -0.44 -0.08 -0.45 -2.22 0.00 0.00 0.00 176.54 173.34 1wi3 h ILE 21 N 0.51 0.11 -0.70 2.60 2.04 0.29 0.13 117.51 122.49 1wi3 h ILE 21 Ca 0.44 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.28 1wi3 h ILE 21 Cb 0.67 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1wi3 h ILE 21 CO -0.39 0.00 0.33 0.17 0.00 0.00 0.00 178.15 178.26 1wi3 h LEU 22 N -0.86 0.90 -0.82 1.44 8.10 0.41 -2.10 115.31 122.38 1wi3 h LEU 22 Ca -0.03 -0.10 0.12 0.00 0.11 0.00 0.00 57.88 57.98 1wi3 h LEU 22 Cb 0.78 -0.23 -0.08 0.00 -0.44 0.00 0.00 40.66 40.69 1wi3 h LEU 22 CO -0.10 0.76 0.43 -0.61 -4.11 0.00 0.00 178.44 174.81 1wi3 h GLN 23 N 0.99 0.65 -0.79 0.17 -0.00 0.22 0.57 115.11 116.93 1wi3 h GLN 23 Ca 0.24 -0.04 0.01 0.00 -0.00 0.00 0.00 58.65 58.86 1wi3 h GLN 23 Cb 0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 27.48 27.40 1wi3 h GLN 23 CO -0.03 0.43 0.52 1.03 0.00 0.00 0.00 178.83 180.78 1wi3 h SER 24 N 0.67 0.92 0.22 -0.69 0.87 -0.06 -1.20 113.55 114.29 1wi3 h SER 24 Ca 0.42 -0.03 -0.06 0.00 -1.23 0.00 0.00 61.79 60.89 1wi3 h SER 24 Cb 0.51 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1wi3 h SER 24 CO -0.31 0.67 -0.26 0.15 -0.53 0.00 0.00 176.83 176.55 1wi3 h PHE 25 N 1.08 0.08 -0.43 2.24 3.04 -0.81 -1.08 116.94 121.06 1wi3 h PHE 25 Ca 0.29 -0.01 -0.12 0.00 3.98 0.00 0.00 57.97 62.11 1wi3 h PHE 25 Cb -0.11 -0.02 -0.01 0.00 2.56 0.00 0.00 35.95 38.36 1wi3 h PHE 25 CO -0.02 0.33 -0.20 0.82 -2.02 0.00 0.00 178.31 177.23 1wi3 h ILE 26 N 0.07 1.28 0.00 1.41 2.04 0.10 0.54 117.51 122.95 1wi3 h ILE 26 Ca 0.01 -1.34 0.00 0.00 1.00 0.00 0.00 64.86 64.53 1wi3 h ILE 26 Cb 0.50 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.81 1wi3 h ILE 26 CO 0.04 0.46 0.00 1.57 0.00 0.00 0.00 178.15 180.21 1wi3 n HIS 27 N -4.20 0.32 -0.10 1.37 -0.00 -0.63 0.17 115.22 112.15 1wi3 n HIS 27 Ca -0.01 0.10 -0.16 0.00 0.46 0.00 0.00 57.72 58.11 1wi3 n HIS 27 Cb 0.44 -0.67 -0.07 0.00 -0.12 0.00 0.00 29.99 29.56 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 -1.77 1.86 0.02 0.26 8.00 -0.45 -4.57 116.55 119.90 1wi3 n ASP 28 Ca 0.05 0.48 -0.19 0.00 0.71 0.00 0.00 54.79 55.84 1wi3 n ASP 28 Cb 0.30 -0.90 -0.14 0.00 -0.02 0.00 0.00 41.12 40.36 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 1.50 0.00 2.53 -1.51 0.02 -3.50 116.25 114.29 1wi3 h VAL 29 Ca -0.25 -2.49 0.00 0.00 -1.23 0.00 0.00 66.70 62.73 1wi3 h VAL 29 Cb 1.05 3.17 0.00 0.00 -2.13 0.00 0.00 31.29 33.38 1wi3 h VAL 29 CO -0.15 0.69 0.00 0.61 -1.23 0.00 0.00 177.57 177.49 1wi3 n GLY 30 N 1.66 1.07 2.74 5.19 0.00 0.45 -4.77 105.19 111.53 1wi3 n GLY 30 Ca -0.15 -0.73 -0.04 0.00 0.00 0.00 0.00 46.02 45.11 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 0.44 -3.11 0.99 4.77 -1.26 -4.30 117.00 114.53 1wi3 n LEU 31 Ca 0.00 -3.29 -0.19 0.00 -0.03 0.00 0.00 56.01 52.50 1wi3 n LEU 31 Cb 0.00 0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 41.37 1wi3 n LEU 31 CO 0.00 1.42 -0.15 -1.22 -1.33 0.00 0.00 177.39 176.10 1wi3 n TYR 32 N -0.67 -1.61 -2.48 -1.77 4.02 -1.26 -5.01 117.16 108.38 1wi3 n TYR 32 Ca 0.01 -2.82 -0.41 0.00 -0.01 0.00 0.00 57.90 54.66 1wi3 n TYR 32 Cb 0.83 0.46 -0.04 0.00 -0.02 0.00 0.00 39.34 40.58 1wi3 n TYR 32 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1wi3 s PRO 33 N -0.15 4.53 0.28 -0.72 0.04 -1.26 -5.03 135.00 132.69 1wi3 s PRO 33 Ca 0.33 1.74 -0.10 0.00 0.04 0.00 0.00 61.00 63.01 1wi3 s PRO 33 Cb 0.11 -3.30 -0.07 0.00 0.04 0.00 0.00 34.50 31.28 1wi3 s PRO 33 CO -0.15 -0.06 0.62 -0.51 0.04 0.00 0.00 177.00 176.93 1wi3 s ASP 34 N 0.35 6.62 0.57 6.66 1.01 -1.26 -4.82 116.67 125.81 1wi3 s ASP 34 Ca 0.53 0.99 0.43 0.00 0.71 0.00 0.00 52.55 55.21 1wi3 s ASP 34 Cb -0.29 -2.26 1.49 0.00 1.01 0.00 0.00 42.92 42.87 1wi3 s ASP 34 CO 0.33 -0.16 1.51 -0.61 0.21 0.00 0.00 175.17 176.45 1wi3 h GLN 35 N 2.19 0.00 0.02 8.23 4.15 -1.99 1.46 115.11 129.17 1wi3 h GLN 35 Ca -0.47 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 58.90 1wi3 h GLN 35 Cb 1.18 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.87 1wi3 h GLN 35 CO 0.67 0.00 -0.19 1.49 -1.93 0.00 0.00 178.83 178.87 1wi3 h GLU 36 N 0.00 0.09 -0.75 1.69 4.81 -1.99 -2.74 114.58 115.69 1wi3 h GLU 36 Ca 0.78 -0.13 0.07 0.00 -0.13 0.00 0.00 59.36 59.96 1wi3 h GLU 36 Cb 3.44 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 32.80 1wi3 h GLU 36 CO -0.01 0.98 0.43 0.00 -0.73 0.00 0.00 179.01 179.68 1wi3 h ALA 37 N 0.12 1.03 -0.42 2.92 0.00 0.15 -0.40 119.26 122.66 1wi3 h ALA 37 Ca -0.03 0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1wi3 h ALA 37 Cb 1.07 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1wi3 h ALA 37 CO 0.04 0.10 0.26 0.82 0.00 0.00 0.00 179.25 180.47 1wi3 h ILE 38 N 0.77 1.07 -0.93 0.00 2.04 -0.92 0.51 117.51 120.05 1wi3 h ILE 38 Ca 0.34 -0.18 0.08 0.00 1.00 0.00 0.00 64.86 66.10 1wi3 h ILE 38 Cb 0.24 0.49 -0.07 0.00 -0.74 0.00 0.00 36.82 36.74 1wi3 h ILE 38 CO -0.20 0.10 0.58 -0.74 0.00 0.00 0.00 178.15 177.88 1wi3 h HIS 39 N 0.53 1.06 -0.34 1.37 2.76 -0.88 0.67 115.15 120.32 1wi3 h HIS 39 Ca 0.16 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.27 1wi3 h HIS 39 Cb -0.03 -0.34 -0.02 0.00 1.55 0.00 0.00 27.41 28.58 1wi3 h HIS 39 CO -0.06 0.50 -0.18 1.15 -1.30 0.00 0.00 177.93 178.04 1wi3 h THR 40 N 1.01 1.26 -0.16 6.26 2.02 -0.17 -0.08 112.91 123.05 1wi3 h THR 40 Ca 0.42 -1.20 -0.19 0.00 0.77 0.00 0.00 66.41 66.21 1wi3 h THR 40 Cb 0.27 1.19 -0.00 0.00 -1.74 0.00 0.00 68.15 67.87 1wi3 h THR 40 CO -0.21 0.40 -0.67 -0.07 0.37 0.00 0.00 175.52 175.34 1wi3 h LEU 41 N 0.56 0.71 -0.60 2.58 3.38 0.97 0.83 115.31 123.74 1wi3 h LEU 41 Ca 0.09 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1wi3 h LEU 41 Cb 0.62 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1wi3 h LEU 41 CO 0.04 1.19 0.00 -1.28 0.09 0.00 0.00 178.44 178.48 1wi3 h SER 42 N 0.44 0.00 0.00 -0.43 0.87 0.58 -2.33 113.55 112.68 1wi3 h SER 42 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 1wi3 h SER 42 Cb 1.26 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 1wi3 h SER 42 CO 0.13 0.00 -0.24 0.00 -0.53 0.00 0.00 176.83 176.19 1wi3 n ALA 43 N -1.87 0.21 -0.32 6.23 0.00 -0.07 -1.28 120.51 123.40 1wi3 n ALA 43 Ca 0.03 -0.37 0.19 0.00 0.00 0.00 0.00 53.44 53.29 1wi3 n ALA 43 Cb 0.33 0.01 0.38 0.00 0.00 0.00 0.00 19.45 20.16 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 -0.25 0.07 0.00 0.00 4.15 0.55 0.64 115.11 120.27 1wi3 h GLN 44 Ca 0.00 -0.00 -0.27 0.00 0.77 0.00 0.00 58.65 59.15 1wi3 h GLN 44 Cb 0.24 -0.02 -0.05 0.00 0.21 0.00 0.00 27.48 27.86 1wi3 h GLN 44 CO 0.00 0.05 -1.72 1.28 -1.93 0.00 0.00 178.83 176.51 1wi3 n LEU 45 N -5.34 0.76 0.00 -2.39 4.77 -0.88 -4.97 117.00 108.96 1wi3 n LEU 45 Ca 0.27 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 1wi3 n LEU 45 Cb 0.89 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 42.16 1wi3 n LEU 45 CO -0.01 0.34 0.00 -0.67 -1.33 0.00 0.00 177.39 175.72 1wi3 n ASP 46 N -2.96 -2.60 -4.95 -1.43 -0.08 0.22 -5.03 116.55 99.73 1wi3 n ASP 46 Ca -0.17 0.00 -0.23 0.00 -1.51 0.00 0.00 54.79 52.88 1wi3 n ASP 46 Cb 1.01 -0.47 0.00 0.00 2.34 0.00 0.00 41.12 44.00 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 3.80 0.68 -2.67 1.43 -0.40 -4.88 118.68 116.64 1wi3 s LEU 47 Ca 0.00 0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 53.31 1wi3 s LEU 47 Cb 0.00 -3.20 0.00 0.00 0.03 0.00 0.00 46.19 43.02 1wi3 s LEU 47 CO 0.00 -0.53 1.06 -2.16 0.23 0.00 0.00 176.35 174.95 1wi3 s PRO 48 N -4.44 2.98 0.04 1.29 0.04 -1.26 -3.98 135.00 129.66 1wi3 s PRO 48 Ca 0.45 0.97 -0.25 0.00 0.04 0.00 0.00 61.00 62.22 1wi3 s PRO 48 Cb -0.10 -2.00 -0.17 0.00 0.04 0.00 0.00 34.50 32.27 1wi3 s PRO 48 CO 0.37 -1.06 1.50 0.87 0.04 0.00 0.00 177.00 178.71 1wi3 h LYS 49 N -0.60 -0.09 -0.69 4.56 1.57 -1.93 -1.77 116.57 117.62 1wi3 h LYS 49 Ca -0.44 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 58.48 1wi3 h LYS 49 Cb 1.21 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 33.44 1wi3 h LYS 49 CO 0.57 0.15 0.19 1.12 -0.57 0.00 0.00 179.45 180.91 1wi3 h HIS 50 N -0.31 0.30 0.69 -1.35 2.07 -1.97 0.68 115.15 115.26 1wi3 h HIS 50 Ca -0.01 0.04 -0.03 0.00 -2.85 0.00 0.00 60.37 57.52 1wi3 h HIS 50 Cb 0.27 -0.03 -0.01 0.00 2.57 0.00 0.00 27.41 30.21 1wi3 h HIS 50 CO 0.00 -0.03 -0.50 1.15 -3.07 0.00 0.00 177.93 175.47 1wi3 h THR 51 N 0.31 0.00 -0.58 6.12 2.02 -1.89 1.35 112.91 120.23 1wi3 h THR 51 Ca 0.38 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.66 1wi3 h THR 51 Cb 0.61 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.94 1wi3 h THR 51 CO -0.45 0.00 0.19 0.40 0.37 0.00 0.00 175.52 176.03 1wi3 h ILE 52 N -1.15 0.74 0.50 3.11 2.04 -0.54 0.15 117.51 122.36 1wi3 h ILE 52 Ca -0.09 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.62 1wi3 h ILE 52 Cb 0.94 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.39 1wi3 h ILE 52 CO 0.04 0.06 -0.24 0.40 0.00 0.00 0.00 178.15 178.42 1wi3 h ILE 53 N 0.35 0.00 -0.98 -0.67 2.04 0.71 -0.14 117.51 118.83 1wi3 h ILE 53 Ca 0.30 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.25 1wi3 h ILE 53 Cb 0.38 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.34 1wi3 h ILE 53 CO -0.32 0.00 -0.58 0.11 0.00 0.00 0.00 178.15 177.36 1wi3 h LYS 54 N -0.67 -0.01 -0.46 2.37 6.56 0.21 0.45 116.57 125.02 1wi3 h LYS 54 Ca -0.07 0.00 0.08 0.00 -1.06 0.00 0.00 60.65 59.61 1wi3 h LYS 54 Cb 0.52 0.00 -0.10 0.00 -0.57 0.00 0.00 32.23 32.08 1wi3 h LYS 54 CO 0.11 -0.01 -0.36 0.35 -2.06 0.00 0.00 179.45 177.48 1wi3 h PHE 55 N -0.01 -1.03 -0.21 -1.35 3.57 -0.66 -1.09 116.94 116.16 1wi3 h PHE 55 Ca 0.17 0.07 0.05 0.00 3.53 0.00 0.00 57.97 61.79 1wi3 h PHE 55 Cb 0.42 0.52 -0.06 0.00 2.79 0.00 0.00 35.95 39.63 1wi3 h PHE 55 CO -1.01 -0.40 -0.16 0.74 -2.23 0.00 0.00 178.31 175.24 1wi3 h PHE 56 N -0.25 -0.41 -0.92 0.41 0.04 0.14 -1.67 116.94 114.29 1wi3 h PHE 56 Ca 0.18 0.03 0.21 0.00 2.80 0.00 0.00 57.97 61.19 1wi3 h PHE 56 Cb 0.56 0.21 -0.17 0.00 2.20 0.00 0.00 35.95 38.75 1wi3 h PHE 56 CO -0.60 -0.23 -0.09 1.96 -0.60 0.00 0.00 178.31 178.75 1wi3 h GLN 57 N -0.16 0.02 -0.14 1.51 4.20 0.99 0.50 115.11 122.03 1wi3 h GLN 57 Ca 0.12 -0.00 0.05 0.00 0.06 0.00 0.00 58.65 58.88 1wi3 h GLN 57 Cb 0.35 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 28.06 1wi3 h GLN 57 CO -0.31 0.01 -0.27 -0.97 -0.67 0.00 0.00 178.83 176.63 1wi3 h ASN 58 N 0.02 -0.84 -0.64 1.46 -1.24 -0.73 -1.10 115.58 112.52 1wi3 h ASN 58 Ca 0.49 0.13 0.12 0.00 0.71 0.00 0.00 56.30 57.76 1wi3 h ASN 58 Cb 0.88 0.37 -0.12 0.00 0.73 0.00 0.00 38.32 40.18 1wi3 h ASN 58 CO -0.89 -0.32 -0.25 1.56 -1.29 0.00 0.00 177.43 176.25 1wi3 h GLN 59 N -0.33 -0.08 -0.30 6.67 1.08 0.15 0.82 115.11 123.12 1wi3 h GLN 59 Ca 0.10 0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.37 1wi3 h GLN 59 Cb 0.49 0.02 -0.07 0.00 -0.05 0.00 0.00 27.48 27.87 1wi3 h GLN 59 CO -0.33 -0.05 -0.14 0.00 -0.95 0.00 0.00 178.83 177.36 1wi3 h ARG 60 N -0.08 -0.09 -0.60 1.46 -0.00 -0.48 -0.83 114.38 113.76 1wi3 h ARG 60 Ca 0.28 0.01 -0.04 0.00 -0.50 0.00 0.00 59.98 59.73 1wi3 h ARG 60 Cb 0.53 0.02 -0.03 0.00 0.00 0.00 0.00 29.97 30.49 1wi3 h ARG 60 CO -0.70 -0.06 0.22 -0.92 0.00 0.00 0.00 179.97 178.52 1wi3 h TYR 61 N -0.09 0.89 -2.57 3.04 3.20 0.34 -3.28 116.97 118.49 1wi3 h TYR 61 Ca 0.16 -0.06 -0.76 0.00 3.14 0.00 0.00 58.73 61.21 1wi3 h TYR 61 Cb 0.33 -0.27 -0.21 0.00 1.54 0.00 0.00 36.73 38.11 1wi3 h TYR 61 CO -0.34 0.70 1.11 0.72 -1.64 0.00 0.00 178.16 178.70 1wi3 n HIS 62 N -4.31 4.66 -3.85 -3.82 8.25 0.26 -4.45 115.22 111.96 1wi3 n HIS 62 Ca 0.05 -3.42 -0.11 0.00 -0.26 0.00 0.00 57.72 53.98 1wi3 n HIS 62 Cb 0.18 -1.95 -0.09 0.00 1.12 0.00 0.00 29.99 29.25 1wi3 n HIS 62 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1wi3 s VAL 63 N 0.21 0.09 0.39 1.59 0.11 -1.23 -4.75 120.40 116.81 1wi3 s VAL 63 Ca 0.38 -0.74 0.00 0.00 -2.93 0.00 0.00 61.98 58.69 1wi3 s VAL 63 Cb -0.03 -0.63 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 1wi3 s VAL 63 CO -0.02 -0.41 0.00 0.29 -3.33 0.00 0.00 175.10 171.64 1wi3 n LYS 64 N 1.15 -2.10 -0.00 1.54 4.01 -1.26 -2.65 118.16 118.84 1wi3 n LYS 64 Ca -0.21 1.72 -0.11 0.00 -0.51 0.00 0.00 58.31 59.19 1wi3 n LYS 64 Cb 0.57 -2.42 -0.05 0.00 -0.51 0.00 0.00 35.03 32.62 1wi3 n LYS 64 CO 0.00 0.00 0.00 1.12 -1.11 0.00 0.00 177.40 177.41 1wi3 h HIS 65 N -0.80 -1.05 -1.00 2.13 2.07 -1.99 -2.12 115.15 112.39 1wi3 h HIS 65 Ca -0.12 0.04 0.09 0.00 -2.85 0.00 0.00 60.37 57.54 1wi3 h HIS 65 Cb 0.83 0.48 -0.12 0.00 2.57 0.00 0.00 27.41 31.18 1wi3 h HIS 65 CO 0.03 -0.44 -0.59 0.66 -3.07 0.00 0.00 177.93 174.52 1wi3 h SER 66 N -0.44 -2.16 -2.56 3.10 4.64 -2.01 -3.41 113.55 110.71 1wi3 h SER 66 Ca 0.09 0.33 -0.56 0.00 -0.47 0.00 0.00 61.79 61.18 1wi3 h SER 66 Cb 0.59 0.96 0.21 0.00 -0.31 0.00 0.00 62.40 63.85 1wi3 h SER 66 CO -0.38 -0.23 -1.12 0.61 -0.87 0.00 0.00 176.83 174.83 1wi3 n GLY 67 N -1.25 -3.12 3.80 -0.77 0.00 -0.80 -4.91 105.19 98.14 1wi3 n GLY 67 Ca 0.02 -0.56 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.29 3.73 -0.07 1.61 0.04 -1.26 -4.79 135.00 131.96 1wi3 s PRO 68 Ca 0.53 1.32 -0.23 0.00 0.04 0.00 0.00 61.00 62.66 1wi3 s PRO 68 Cb -0.29 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1wi3 s PRO 68 CO 0.71 -0.49 0.67 -1.54 0.04 0.00 0.00 177.00 176.38 1wi3 s SER 69 N -2.15 6.94 -0.32 6.66 1.04 -1.26 -4.57 113.70 120.04 1wi3 s SER 69 Ca 0.66 1.14 -0.24 0.00 0.48 0.00 0.00 55.95 57.99 1wi3 s SER 69 Cb -0.16 -2.39 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1wi3 s SER 69 CO 0.23 -0.09 0.81 -0.55 0.98 0.00 0.00 173.24 174.61 1wi3 s SER 70 N 0.75 6.65 0.00 7.02 0.15 -1.26 -5.17 113.70 121.84 1wi3 s SER 70 Ca 0.36 0.61 0.00 0.00 0.70 0.00 0.00 55.95 57.62 1wi3 s SER 70 Cb -0.17 -2.41 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1wi3 s SER 70 CO 0.17 -0.66 0.00 0.61 1.20 0.00 0.00 173.24 174.56