#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wi3 s SER 2 N 0.00 -0.21 0.21 1.61 0.01 -1.26 -5.09 113.70 108.97 1wi3 s SER 2 Ca 0.00 -0.60 0.00 0.00 1.31 0.00 0.00 55.95 56.66 1wi3 s SER 2 Cb 0.00 0.59 0.00 0.00 0.21 0.00 0.00 66.02 66.82 1wi3 s SER 2 CO 0.00 -1.10 0.00 -0.24 0.41 0.00 0.00 173.24 172.31 1wi3 n SER 3 N -0.36 0.10 -0.28 2.44 2.88 -1.26 -5.16 113.62 111.99 1wi3 n SER 3 Ca -0.08 0.35 0.03 0.00 -1.33 0.00 0.00 58.87 57.84 1wi3 n SER 3 Cb 0.62 0.21 -0.01 0.00 -0.75 0.00 0.00 64.21 64.28 1wi3 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1wi3 n GLY 4 N 1.96 -2.05 3.90 0.46 0.00 -1.26 -4.89 105.19 103.30 1wi3 n GLY 4 Ca 0.00 -1.41 -0.32 0.00 0.00 0.00 0.00 46.02 44.30 1wi3 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1wi3 s SER 5 N -3.49 6.47 -0.50 1.61 0.15 -1.26 -5.07 113.70 111.62 1wi3 s SER 5 Ca 0.00 0.53 0.01 0.00 0.70 0.00 0.00 55.95 57.20 1wi3 s SER 5 Cb 0.00 -2.07 0.13 0.00 -1.71 0.00 0.00 66.02 62.37 1wi3 s SER 5 CO 0.00 0.09 0.26 -0.94 1.20 0.00 0.00 173.24 173.85 1wi3 s SER 6 N -2.37 4.78 -0.38 5.45 1.04 -1.26 -4.99 113.70 115.96 1wi3 s SER 6 Ca 0.39 -2.68 0.03 0.00 0.48 0.00 0.00 55.95 54.16 1wi3 s SER 6 Cb -0.12 -1.72 0.16 0.00 0.10 0.00 0.00 66.02 64.43 1wi3 s SER 6 CO 0.24 -0.34 0.33 -0.83 0.98 0.00 0.00 173.24 173.63 1wi3 s GLY 7 N 0.48 0.53 -0.48 7.32 0.00 -1.26 -5.10 107.32 108.82 1wi3 s GLY 7 Ca 0.15 -1.66 -0.28 0.00 0.00 0.00 0.00 44.72 42.93 1wi3 s GLY 7 CO -0.03 2.41 1.45 2.56 0.00 0.00 0.00 173.10 179.49 1wi3 s PRO 8 N 0.89 3.40 0.04 2.90 0.04 -1.26 -4.73 135.00 136.28 1wi3 s PRO 8 Ca 0.23 0.74 0.00 0.00 0.04 0.00 0.00 61.00 62.01 1wi3 s PRO 8 Cb -0.12 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.33 1wi3 s PRO 8 CO -0.06 -1.79 0.00 0.54 0.04 0.00 0.00 177.00 175.73 1wi3 n ARG 9 N 8.39 0.00 -0.06 4.56 3.00 -1.26 -4.89 116.66 126.40 1wi3 n ARG 9 Ca 0.15 0.00 -0.08 0.00 -0.01 0.00 0.00 57.85 57.92 1wi3 n ARG 9 Cb 0.49 -0.41 -0.06 0.00 0.00 0.00 0.00 32.46 32.47 1wi3 n ARG 9 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.63 178.40 1wi3 h SER 10 N 0.00 0.00 0.00 0.55 0.02 -2.01 -3.47 113.55 108.64 1wi3 h SER 10 Ca 0.00 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 1wi3 h SER 10 Cb 0.59 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.13 1wi3 h SER 10 CO 0.00 0.78 0.00 0.54 -1.14 0.00 0.00 176.83 177.01 1wi3 n ARG 11 N -4.68 0.00 -3.76 3.45 1.74 -1.26 -4.01 116.66 108.14 1wi3 n ARG 11 Ca -0.06 0.00 -0.29 0.00 -0.77 0.00 0.00 57.85 56.73 1wi3 n ARG 11 Cb 0.26 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.58 1wi3 n ARG 11 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1wi3 s THR 12 N 0.00 1.83 -0.49 0.55 -4.23 -1.26 -4.12 115.64 107.91 1wi3 s THR 12 Ca 0.00 -3.12 0.03 0.00 -1.18 0.00 0.00 61.69 57.41 1wi3 s THR 12 Cb 0.00 -2.25 0.44 0.00 1.34 0.00 0.00 72.50 72.03 1wi3 s THR 12 CO 0.00 -0.95 1.57 1.17 -0.54 0.00 0.00 174.62 175.87 1wi3 n LYS 13 N 2.99 3.18 -4.42 3.99 3.00 -1.26 -4.96 118.16 120.68 1wi3 n LYS 13 Ca 0.14 -3.82 -0.34 0.00 -0.00 0.00 0.00 58.31 54.29 1wi3 n LYS 13 Cb 0.36 -2.28 -0.14 0.00 0.00 0.00 0.00 35.03 32.97 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 -4.81 3.23 0.32 3.15 1.09 -1.26 -4.99 121.20 117.93 1wi3 s ILE 14 Ca 0.56 -0.58 0.07 0.00 -1.10 0.00 0.00 60.65 59.61 1wi3 s ILE 14 Cb 0.45 -2.41 0.39 0.00 -1.06 0.00 0.00 42.46 39.84 1wi3 s ILE 14 CO -0.03 0.49 1.53 -1.20 -0.10 0.00 0.00 174.94 175.62 1wi3 n SER 15 N 3.97 0.01 0.00 3.58 7.64 -1.26 -4.82 113.62 122.74 1wi3 n SER 15 Ca -0.18 1.64 0.00 0.00 1.01 0.00 0.00 58.87 61.34 1wi3 n SER 15 Cb 0.52 -0.65 0.00 0.00 -1.01 0.00 0.00 64.21 63.07 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 -5.38 0.00 0.00 -3.43 7.94 -1.26 -5.03 117.00 109.84 1wi3 n LEU 16 Ca 0.27 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.17 1wi3 n LEU 16 Cb 0.89 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.84 1wi3 n LEU 16 CO -0.05 0.00 0.14 -0.62 -1.11 0.00 0.00 177.39 175.75 1wi3 n GLU 17 N 0.00 0.00 -0.16 1.96 1.02 -1.26 0.89 120.64 123.10 1wi3 n GLU 17 Ca 0.00 0.27 0.08 0.00 -0.02 0.00 0.00 57.16 57.49 1wi3 n GLU 17 Cb 0.00 -0.65 0.15 0.00 -0.02 0.00 0.00 31.44 30.92 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 -1.27 0.26 -0.73 0.62 0.00 -1.26 0.53 120.51 118.67 1wi3 n ALA 18 Ca 0.00 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.92 1wi3 n ALA 18 Cb 0.00 -0.37 0.00 0.00 0.00 0.00 0.00 19.45 19.08 1wi3 n ALA 18 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1wi3 n LEU 19 N -4.44 0.08 -0.38 0.00 -0.00 0.26 -1.12 117.00 111.39 1wi3 n LEU 19 Ca 0.11 0.62 0.37 0.00 -0.00 0.00 0.00 56.01 57.12 1wi3 n LEU 19 Cb 0.38 -0.14 0.60 0.00 -0.00 0.00 0.00 43.42 44.26 1wi3 n LEU 19 CO -0.03 -0.14 1.34 1.23 -0.00 0.00 0.00 177.39 179.80 1wi3 h GLY 20 N 0.00 0.00 0.35 -3.96 0.00 0.34 1.94 103.07 101.74 1wi3 h GLY 20 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.31 1wi3 h GLY 20 CO 0.00 0.00 -0.17 -2.22 0.00 0.00 0.00 176.54 174.15 1wi3 h ILE 21 N 0.00 0.00 0.00 2.60 2.04 0.39 0.13 117.51 122.67 1wi3 h ILE 21 Ca 0.64 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 66.28 1wi3 h ILE 21 Cb 3.14 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 39.22 1wi3 h ILE 21 CO -0.01 0.00 0.00 0.17 0.00 0.00 0.00 178.15 178.31 1wi3 h LEU 22 N -0.69 0.00 -0.15 1.44 -0.00 0.12 -2.67 115.31 113.36 1wi3 h LEU 22 Ca -0.05 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.60 1wi3 h LEU 22 Cb 0.36 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.03 1wi3 h LEU 22 CO 0.08 0.00 -0.90 -0.61 -0.00 0.00 0.00 178.44 177.01 1wi3 h GLN 23 N 0.00 0.61 -0.21 0.17 -0.00 0.29 -2.47 115.11 113.49 1wi3 h GLN 23 Ca 0.00 -0.58 -0.08 0.00 -0.00 0.00 0.00 58.65 57.99 1wi3 h GLN 23 Cb 0.51 0.15 -0.01 0.00 0.00 0.00 0.00 27.48 28.13 1wi3 h GLN 23 CO 0.00 1.20 -0.20 1.03 0.00 0.00 0.00 178.83 180.86 1wi3 h SER 24 N 0.38 0.36 0.89 -0.69 0.87 -0.37 -2.19 113.55 112.79 1wi3 h SER 24 Ca -0.08 -0.10 -0.11 0.00 -1.23 0.00 0.00 61.79 60.26 1wi3 h SER 24 Cb 1.53 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 63.38 1wi3 h SER 24 CO 0.17 0.58 -0.54 0.15 -0.53 0.00 0.00 176.83 176.66 1wi3 h PHE 25 N 0.33 0.00 -0.42 2.24 3.04 -1.48 -2.19 116.94 118.47 1wi3 h PHE 25 Ca 0.06 0.00 -0.10 0.00 3.98 0.00 0.00 57.97 61.91 1wi3 h PHE 25 Cb 0.55 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.05 1wi3 h PHE 25 CO 0.01 0.54 -0.11 0.82 -2.02 0.00 0.00 178.31 177.56 1wi3 h ILE 26 N 0.00 1.27 0.00 1.41 2.04 -0.92 1.02 117.51 122.34 1wi3 h ILE 26 Ca -0.01 -1.21 0.00 0.00 1.00 0.00 0.00 64.86 64.64 1wi3 h ILE 26 Cb 1.13 1.18 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 1wi3 h ILE 26 CO 0.07 0.41 0.00 1.57 0.00 0.00 0.00 178.15 180.20 1wi3 n HIS 27 N -4.30 0.86 -0.10 1.37 -0.00 -1.02 0.18 115.22 112.22 1wi3 n HIS 27 Ca -0.01 0.27 -0.22 0.00 0.46 0.00 0.00 57.72 58.23 1wi3 n HIS 27 Cb 0.37 -0.94 -0.11 0.00 -0.12 0.00 0.00 29.99 29.19 1wi3 n HIS 27 CO 0.00 0.00 0.00 0.22 0.46 0.00 0.00 176.34 177.02 1wi3 h ASP 28 N 0.00 0.00 0.02 0.26 1.82 -0.76 -3.41 116.42 114.35 1wi3 h ASP 28 Ca 0.00 -0.50 -0.12 0.00 -0.39 0.00 0.00 57.03 56.02 1wi3 h ASP 28 Cb 0.63 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.63 1wi3 h ASP 28 CO 0.00 1.48 -0.65 -0.37 -1.61 0.00 0.00 179.24 178.09 1wi3 h VAL 29 N -1.00 1.39 0.00 2.25 -1.51 0.10 -3.51 116.25 113.97 1wi3 h VAL 29 Ca -0.34 -2.31 0.00 0.00 -1.23 0.00 0.00 66.70 62.81 1wi3 h VAL 29 Cb 1.29 2.91 0.00 0.00 -2.13 0.00 0.00 31.29 33.36 1wi3 h VAL 29 CO -0.21 0.53 0.00 0.61 -1.23 0.00 0.00 177.57 177.27 1wi3 n GLY 30 N 1.57 0.47 2.63 5.19 0.00 0.48 -4.88 105.19 110.66 1wi3 n GLY 30 Ca -0.19 -1.52 -0.23 0.00 0.00 0.00 0.00 46.02 44.07 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 -2.72 0.99 4.77 -1.26 -4.33 117.00 117.88 1wi3 n LEU 31 Ca 0.00 -5.18 -0.08 0.00 -0.03 0.00 0.00 56.01 50.72 1wi3 n LEU 31 Cb 0.00 -0.15 0.08 0.00 -2.33 0.00 0.00 43.42 41.02 1wi3 n LEU 31 CO 0.00 2.21 0.36 -1.22 -1.33 0.00 0.00 177.39 177.41 1wi3 n TYR 32 N -0.18 -2.61 -1.53 -1.77 4.01 -1.26 -5.02 117.16 108.80 1wi3 n TYR 32 Ca 0.29 -1.80 -0.29 0.00 -0.16 0.00 0.00 57.90 55.94 1wi3 n TYR 32 Cb 0.57 1.54 0.16 0.00 -0.31 0.00 0.00 39.34 41.31 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 0.35 0.60 0.27 -0.72 0.04 -1.26 -5.09 135.00 129.18 1wi3 s PRO 33 Ca 0.25 0.09 0.09 0.00 0.04 0.00 0.00 61.00 61.46 1wi3 s PRO 33 Cb 0.27 -1.79 -0.05 0.00 0.04 0.00 0.00 34.50 32.96 1wi3 s PRO 33 CO -0.12 -2.53 -0.13 0.16 0.04 0.00 0.00 177.00 174.43 1wi3 s ASP 34 N -4.17 3.10 0.60 6.66 1.47 -1.26 -4.96 116.67 118.11 1wi3 s ASP 34 Ca 0.67 -1.10 0.27 0.00 1.18 0.00 0.00 52.55 53.57 1wi3 s ASP 34 Cb -0.12 -0.23 1.17 0.00 -0.34 0.00 0.00 42.92 43.41 1wi3 s ASP 34 CO 0.54 -0.17 1.57 1.56 0.68 0.00 0.00 175.17 179.35 1wi3 h GLN 35 N 2.31 0.00 0.00 2.11 4.20 -1.98 0.72 115.11 122.47 1wi3 h GLN 35 Ca -0.40 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.29 1wi3 h GLN 35 Cb 1.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 1wi3 h GLN 35 CO 0.64 0.00 -0.07 1.49 -0.67 0.00 0.00 178.83 180.22 1wi3 h GLU 36 N 0.00 0.05 -0.52 1.46 4.81 -1.99 -1.84 114.58 116.55 1wi3 h GLU 36 Ca 0.34 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 1wi3 h GLU 36 Cb 2.08 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 31.45 1wi3 h GLU 36 CO -0.00 0.85 0.29 0.00 -0.73 0.00 0.00 179.01 179.42 1wi3 h ALA 37 N 0.20 0.67 -0.55 2.92 0.00 -0.08 -1.52 119.26 120.90 1wi3 h ALA 37 Ca -0.01 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1wi3 h ALA 37 Cb 0.87 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1wi3 h ALA 37 CO 0.01 0.17 0.36 0.82 0.00 0.00 0.00 179.25 180.62 1wi3 h ILE 38 N 0.70 1.12 -0.79 0.00 2.04 -0.84 -0.83 117.51 118.91 1wi3 h ILE 38 Ca 0.18 -0.25 0.09 0.00 1.00 0.00 0.00 64.86 65.89 1wi3 h ILE 38 Cb 0.03 0.33 -0.07 0.00 -0.74 0.00 0.00 36.82 36.37 1wi3 h ILE 38 CO -0.03 0.13 0.44 -0.74 0.00 0.00 0.00 178.15 177.95 1wi3 h HIS 39 N 0.72 0.79 -0.41 1.37 2.76 -0.78 0.55 115.15 120.16 1wi3 h HIS 39 Ca 0.21 0.03 -0.06 0.00 -2.20 0.00 0.00 60.37 58.35 1wi3 h HIS 39 Cb -0.06 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.65 1wi3 h HIS 39 CO -0.04 0.31 0.00 1.15 -1.30 0.00 0.00 177.93 178.05 1wi3 h THR 40 N 0.73 1.22 -0.13 6.26 2.02 -0.40 0.82 112.91 123.43 1wi3 h THR 40 Ca 0.38 -0.89 -0.17 0.00 0.77 0.00 0.00 66.41 66.50 1wi3 h THR 40 Cb 0.36 0.91 -0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1wi3 h THR 40 CO -0.25 0.31 -0.64 -0.07 0.37 0.00 0.00 175.52 175.24 1wi3 h LEU 41 N 0.62 0.56 -0.48 2.58 3.38 0.47 0.82 115.31 123.26 1wi3 h LEU 41 Ca 0.13 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1wi3 h LEU 41 Cb 0.38 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.97 1wi3 h LEU 41 CO 0.01 1.06 0.00 -1.28 0.09 0.00 0.00 178.44 178.32 1wi3 h SER 42 N 0.36 0.00 0.00 -0.43 0.87 0.57 -2.56 113.55 112.36 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 0.11 0.00 -0.30 0.00 -0.53 0.00 0.00 176.83 176.12 1wi3 n ALA 43 N -1.92 0.26 -0.33 6.23 0.00 0.23 -0.84 120.51 124.14 1wi3 n ALA 43 Ca 0.03 -0.38 0.26 0.00 0.00 0.00 0.00 53.44 53.35 1wi3 n ALA 43 Cb 0.38 0.01 0.50 0.00 0.00 0.00 0.00 19.45 20.34 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 -0.34 0.13 0.00 0.00 4.15 0.52 0.68 115.11 120.25 1wi3 h GLN 44 Ca 0.00 -0.01 -0.29 0.00 0.77 0.00 0.00 58.65 59.13 1wi3 h GLN 44 Cb 0.30 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.91 1wi3 h GLN 44 CO 0.00 0.09 -1.95 1.28 -1.93 0.00 0.00 178.83 176.32 1wi3 n LEU 45 N -5.20 0.47 0.00 -2.39 4.77 -0.97 -4.97 117.00 108.71 1wi3 n LEU 45 Ca 0.33 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.53 1wi3 n LEU 45 Cb 1.10 0.28 0.00 0.00 -2.33 0.00 0.00 43.42 42.46 1wi3 n LEU 45 CO 0.04 0.37 0.00 -0.67 -1.33 0.00 0.00 177.39 175.80 1wi3 n ASP 46 N -2.86 -2.70 -4.96 -1.43 2.03 0.24 -5.03 116.55 101.84 1wi3 n ASP 46 Ca -0.21 0.00 -0.22 0.00 0.52 0.00 0.00 54.79 54.88 1wi3 n ASP 46 Cb 1.03 -0.46 0.00 0.00 -0.72 0.00 0.00 41.12 40.98 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 3.83 0.82 -2.67 1.43 -0.02 -4.88 118.68 117.19 1wi3 s LEU 47 Ca 0.00 0.20 -0.12 0.00 -1.03 0.00 0.00 54.13 53.18 1wi3 s LEU 47 Cb 0.00 -3.08 0.08 0.00 0.03 0.00 0.00 46.19 43.22 1wi3 s LEU 47 CO 0.00 -0.52 1.10 -2.16 0.23 0.00 0.00 176.35 175.00 1wi3 s PRO 48 N -4.39 1.90 -0.02 1.29 0.04 -1.26 -3.96 135.00 128.60 1wi3 s PRO 48 Ca 0.45 0.57 -0.26 0.00 0.04 0.00 0.00 61.00 61.80 1wi3 s PRO 48 Cb -0.10 -1.90 -0.20 0.00 0.04 0.00 0.00 34.50 32.34 1wi3 s PRO 48 CO 0.35 -1.73 1.26 0.87 0.04 0.00 0.00 177.00 177.80 1wi3 h LYS 49 N -1.17 -0.00 -0.65 4.56 1.57 -1.94 -2.31 116.57 116.64 1wi3 h LYS 49 Ca -0.48 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.44 1wi3 h LYS 49 Cb 1.28 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.49 1wi3 h LYS 49 CO 0.60 0.49 0.08 1.12 -0.57 0.00 0.00 179.45 181.16 1wi3 h HIS 50 N -0.49 0.10 0.23 -1.35 2.07 -1.97 1.50 115.15 115.24 1wi3 h HIS 50 Ca -0.00 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.57 1wi3 h HIS 50 Cb 0.49 0.06 -0.02 0.00 2.57 0.00 0.00 27.41 30.51 1wi3 h HIS 50 CO 0.10 -0.12 -0.23 1.15 -3.07 0.00 0.00 177.93 175.76 1wi3 h THR 51 N 0.19 0.50 -0.22 6.12 2.02 -1.94 1.35 112.91 120.92 1wi3 h THR 51 Ca 0.35 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.53 1wi3 h THR 51 Cb 0.56 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 1wi3 h THR 51 CO -0.50 0.00 0.14 0.40 0.37 0.00 0.00 175.52 175.93 1wi3 h ILE 52 N -0.50 1.08 0.74 3.11 2.04 -0.62 -0.90 117.51 122.46 1wi3 h ILE 52 Ca -0.00 -0.19 -0.03 0.00 1.00 0.00 0.00 64.86 65.64 1wi3 h ILE 52 Cb 0.47 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1wi3 h ILE 52 CO -0.06 0.08 -0.48 0.40 0.00 0.00 0.00 178.15 178.09 1wi3 h ILE 53 N 0.28 0.00 -0.79 -0.67 2.04 0.24 0.30 117.51 118.91 1wi3 h ILE 53 Ca 0.08 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.02 1wi3 h ILE 53 Cb 0.01 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 35.98 1wi3 h ILE 53 CO -0.02 0.00 -0.57 0.11 0.00 0.00 0.00 178.15 177.68 1wi3 h LYS 54 N -1.15 -0.14 -0.87 2.37 6.56 0.19 1.53 116.57 125.06 1wi3 h LYS 54 Ca -0.10 0.01 0.20 0.00 -1.06 0.00 0.00 60.65 59.71 1wi3 h LYS 54 Cb 0.93 0.03 -0.06 0.00 -0.57 0.00 0.00 32.23 32.56 1wi3 h LYS 54 CO 0.08 -0.09 0.59 0.35 -2.06 0.00 0.00 179.45 178.32 1wi3 h PHE 55 N -0.14 0.44 0.02 -1.35 3.57 -0.98 0.11 116.94 118.60 1wi3 h PHE 55 Ca 0.14 0.01 -0.26 0.00 3.53 0.00 0.00 57.97 61.39 1wi3 h PHE 55 Cb 0.49 -0.13 0.02 0.00 2.79 0.00 0.00 35.95 39.11 1wi3 h PHE 55 CO -0.91 0.12 -1.04 0.74 -2.23 0.00 0.00 178.31 174.98 1wi3 h PHE 56 N 0.33 0.90 -0.05 0.41 0.04 0.37 -3.04 116.94 115.89 1wi3 h PHE 56 Ca 0.45 -0.50 0.02 0.00 2.80 0.00 0.00 57.97 60.73 1wi3 h PHE 56 Cb 1.21 -0.10 -0.00 0.00 2.20 0.00 0.00 35.95 39.27 1wi3 h PHE 56 CO -0.00 1.34 0.05 1.96 -0.60 0.00 0.00 178.31 181.06 1wi3 h GLN 57 N 0.32 0.00 0.01 1.51 4.20 0.41 -1.12 115.11 120.45 1wi3 h GLN 57 Ca -0.12 0.00 -0.16 0.00 0.06 0.00 0.00 58.65 58.43 1wi3 h GLN 57 Cb 1.69 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.49 1wi3 h GLN 57 CO 0.20 0.00 -0.64 -0.97 -0.67 0.00 0.00 178.83 176.75 1wi3 h ASN 58 N 0.00 0.54 -0.76 1.46 -1.24 -1.30 -3.13 115.58 111.14 1wi3 h ASN 58 Ca 0.03 -0.78 0.17 0.00 0.71 0.00 0.00 56.30 56.43 1wi3 h ASN 58 Cb 0.13 -0.17 -0.11 0.00 0.73 0.00 0.00 38.32 38.90 1wi3 h ASN 58 CO -0.00 1.25 0.20 1.56 -1.29 0.00 0.00 177.43 179.15 1wi3 h GLN 59 N -0.12 0.27 0.23 6.67 1.08 -1.10 -1.16 115.11 120.98 1wi3 h GLN 59 Ca -0.08 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 1wi3 h GLN 59 Cb 1.36 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.73 1wi3 h GLN 59 CO 0.13 0.18 -0.13 0.00 -0.95 0.00 0.00 178.83 178.05 1wi3 h ARG 60 N 0.28 -0.32 -0.90 1.46 3.08 -1.53 -1.31 114.38 115.13 1wi3 h ARG 60 Ca 0.44 0.02 0.34 0.00 0.07 0.00 0.00 59.98 60.85 1wi3 h ARG 60 Cb 0.77 0.07 -0.16 0.00 0.08 0.00 0.00 29.97 30.72 1wi3 h ARG 60 CO -0.52 -0.21 0.33 0.98 -1.07 0.00 0.00 179.97 179.48 1wi3 n TYR 61 N -3.02 0.90 0.00 3.04 9.36 -0.94 -1.92 117.16 124.58 1wi3 n TYR 61 Ca -0.04 1.07 0.00 0.00 3.32 0.00 0.00 57.90 62.25 1wi3 n TYR 61 Cb 0.14 -1.37 0.00 0.00 -0.63 0.00 0.00 39.34 37.47 1wi3 n TYR 61 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1wi3 n HIS 62 N -5.12 0.00 -1.37 2.98 8.25 -0.48 -4.77 115.22 114.71 1wi3 n HIS 62 Ca 0.30 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.37 1wi3 n HIS 62 Cb 1.01 0.00 0.02 0.00 1.12 0.00 0.00 29.99 32.14 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 -0.44 1.17 0.04 1.59 3.14 -0.52 -4.80 118.33 118.50 1wi3 n VAL 63 Ca 0.00 -0.50 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 1wi3 n VAL 63 Cb 0.00 -0.34 0.00 0.00 -1.06 0.00 0.00 33.84 32.44 1wi3 n VAL 63 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 1wi3 n LYS 64 N 0.75 0.00 -1.39 1.45 3.00 -1.26 -4.83 118.16 115.88 1wi3 n LYS 64 Ca 0.10 0.00 -0.35 0.00 -0.00 0.00 0.00 58.31 58.06 1wi3 n LYS 64 Cb 0.46 0.00 0.10 0.00 0.00 0.00 0.00 35.03 35.59 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 -2.35 1.42 -1.41 5.64 8.25 -1.26 -4.72 115.22 120.78 1wi3 n HIS 65 Ca 0.00 0.41 0.14 0.00 -0.26 0.00 0.00 57.72 58.01 1wi3 n HIS 65 Cb 0.00 -2.16 -0.08 0.00 1.12 0.00 0.00 29.99 28.86 1wi3 n HIS 65 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1wi3 n SER 66 N -2.45 -7.35 -3.84 0.41 7.64 -1.26 -5.02 113.62 101.74 1wi3 n SER 66 Ca 0.14 1.41 -0.11 0.00 1.01 0.00 0.00 58.87 61.33 1wi3 n SER 66 Cb 0.49 -4.80 -0.09 0.00 -1.01 0.00 0.00 64.21 58.81 1wi3 n SER 66 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1wi3 s GLY 67 N -6.94 0.02 -0.78 0.23 0.00 -1.26 -5.04 107.32 93.55 1wi3 s GLY 67 Ca 0.00 -0.23 -0.06 0.00 0.00 0.00 0.00 44.72 44.43 1wi3 s GLY 67 CO 0.00 -0.40 2.61 -1.55 0.00 0.00 0.00 173.10 173.76 1wi3 n PRO 68 N 0.81 2.32 -3.22 2.90 -0.04 -1.26 -4.61 135.00 131.89 1wi3 n PRO 68 Ca -0.19 -1.40 0.02 0.00 -0.04 0.00 0.00 63.50 61.88 1wi3 n PRO 68 Cb 0.58 -2.34 -0.02 0.00 -0.04 0.00 0.00 33.50 31.68 1wi3 n PRO 68 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1wi3 s SER 69 N 2.65 -1.15 -0.05 3.54 0.01 -1.26 -5.05 113.70 112.38 1wi3 s SER 69 Ca 0.52 0.86 -0.19 0.00 1.31 0.00 0.00 55.95 58.45 1wi3 s SER 69 Cb 0.17 2.04 -0.13 0.00 0.21 0.00 0.00 66.02 68.31 1wi3 s SER 69 CO -0.03 -0.26 0.78 0.28 0.41 0.00 0.00 173.24 174.42 1wi3 h SER 70 N 8.03 -0.24 0.00 2.44 0.02 -2.06 -3.53 113.55 118.20 1wi3 h SER 70 Ca -0.22 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1wi3 h SER 70 Cb 1.15 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.76 1wi3 h SER 70 CO 0.25 0.28 0.00 0.61 -1.14 0.00 0.00 176.83 176.83