#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 -0.19 -0.08 1.61 0.15 -1.26 -5.15 113.70 108.78 1wi3 s SER 2 Ca 0.00 0.63 -0.32 0.00 0.70 0.00 0.00 55.95 56.96 1wi3 s SER 2 Cb 0.00 0.58 0.14 0.00 -1.71 0.00 0.00 66.02 65.03 1wi3 s SER 2 CO 0.00 -0.19 1.35 -0.94 1.20 0.00 0.00 173.24 174.66 1wi3 s SER 3 N 1.59 -0.04 0.13 5.45 1.04 -1.26 -5.19 113.70 115.43 1wi3 s SER 3 Ca -0.07 -0.06 0.01 0.00 0.48 0.00 0.00 55.95 56.30 1wi3 s SER 3 Cb -0.10 0.09 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 1wi3 s SER 3 CO -0.10 -0.16 -0.00 -0.83 0.98 0.00 0.00 173.24 173.13 1wi3 s GLY 4 N -2.85 0.99 -0.13 7.32 0.00 -1.26 -5.17 107.32 106.23 1wi3 s GLY 4 Ca 0.14 -1.47 -0.29 0.00 0.00 0.00 0.00 44.72 43.10 1wi3 s GLY 4 CO -0.05 -1.45 0.70 -0.56 0.00 0.00 0.00 173.10 171.74 1wi3 s SER 5 N -3.09 -0.69 -0.30 1.64 0.01 -1.26 -5.17 113.70 104.85 1wi3 s SER 5 Ca 0.20 0.97 -0.23 0.00 1.31 0.00 0.00 55.95 58.19 1wi3 s SER 5 Cb 0.06 0.85 0.19 0.00 0.21 0.00 0.00 66.02 67.34 1wi3 s SER 5 CO 0.00 -0.49 1.39 -0.94 0.41 0.00 0.00 173.24 173.62 1wi3 s SER 6 N -0.66 -0.07 0.00 2.44 1.04 -1.26 -5.19 113.70 110.00 1wi3 s SER 6 Ca -0.07 0.13 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1wi3 s SER 6 Cb -0.02 0.32 0.00 0.00 0.10 0.00 0.00 66.02 66.43 1wi3 s SER 6 CO 0.07 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.88 1wi3 n GLY 7 N 1.93 1.47 3.76 7.32 0.00 -1.26 -5.17 105.19 113.24 1wi3 n GLY 7 Ca -0.12 -0.64 -0.30 0.00 0.00 0.00 0.00 46.02 44.96 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 -2.00 -0.58 -0.31 1.61 0.04 -1.26 -5.08 135.00 127.42 1wi3 s PRO 8 Ca 0.00 -0.36 -0.12 0.00 0.04 0.00 0.00 61.00 60.55 1wi3 s PRO 8 Cb 0.00 -1.70 0.19 0.00 0.04 0.00 0.00 34.50 33.03 1wi3 s PRO 8 CO 0.00 -3.24 1.12 0.50 0.04 0.00 0.00 177.00 175.42 1wi3 s ARG 9 N -5.74 0.06 -0.33 4.56 6.06 -1.26 -5.13 118.95 117.17 1wi3 s ARG 9 Ca 0.74 -0.02 -0.13 0.00 -2.50 0.00 0.00 55.73 53.82 1wi3 s ARG 9 Cb -0.05 0.01 -0.02 0.00 0.06 0.00 0.00 34.95 34.95 1wi3 s ARG 9 CO 0.55 -0.09 0.27 0.45 -2.50 0.00 0.00 175.30 173.97 1wi3 s SER 10 N 2.02 6.09 -0.15 -2.12 0.15 -1.26 -4.94 113.70 113.50 1wi3 s SER 10 Ca 0.15 -0.29 -0.30 0.00 0.70 0.00 0.00 55.95 56.21 1wi3 s SER 10 Cb 0.04 -2.15 0.13 0.00 -1.71 0.00 0.00 66.02 62.32 1wi3 s SER 10 CO -0.16 -0.24 1.00 -0.13 1.20 0.00 0.00 173.24 174.91 1wi3 s ARG 11 N 1.82 0.59 0.56 5.44 1.81 -1.26 -5.01 118.95 122.90 1wi3 s ARG 11 Ca 0.08 0.09 0.25 0.00 -1.72 0.00 0.00 55.73 54.43 1wi3 s ARG 11 Cb -0.17 0.28 1.50 0.00 -0.45 0.00 0.00 34.95 36.11 1wi3 s ARG 11 CO 0.11 -0.20 2.07 0.00 -0.68 0.00 0.00 175.30 176.60 1wi3 h THR 12 N 2.47 0.65 -4.23 0.02 1.03 -1.94 -3.42 112.91 107.49 1wi3 h THR 12 Ca -0.18 0.00 -0.51 0.00 -0.01 0.00 0.00 66.41 65.71 1wi3 h THR 12 Cb 1.17 0.82 0.18 0.00 -1.07 0.00 0.00 68.15 69.26 1wi3 h THR 12 CO 0.31 0.00 0.23 -0.75 -0.01 0.00 0.00 175.52 175.30 1wi3 s LYS 13 N -4.84 1.17 0.11 0.00 2.20 -1.26 -4.64 119.74 112.48 1wi3 s LYS 13 Ca -0.05 1.43 -0.28 0.00 -0.36 0.00 0.00 55.97 56.71 1wi3 s LYS 13 Cb 0.17 -1.75 -0.09 0.00 -1.51 0.00 0.00 37.83 34.64 1wi3 s LYS 13 CO 0.63 -2.49 1.63 0.82 -0.36 0.00 0.00 175.35 175.59 1wi3 h ILE 14 N -1.76 0.39 0.00 5.43 2.04 -1.98 -3.44 117.51 118.19 1wi3 h ILE 14 Ca -0.44 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.42 1wi3 h ILE 14 Cb 1.26 0.39 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 1wi3 h ILE 14 CO 0.44 0.00 0.00 -1.20 0.00 0.00 0.00 178.15 177.39 1wi3 n SER 15 N -5.40 0.00 0.00 1.72 7.64 -1.26 -3.89 113.62 112.43 1wi3 n SER 15 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 1wi3 n SER 15 Cb 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 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 0.00 0.00 0.00 -3.43 7.94 -1.26 -4.99 117.00 115.26 1wi3 n LEU 16 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 1wi3 n LEU 16 Cb 0.00 0.04 0.00 0.00 0.53 0.00 0.00 43.42 43.99 1wi3 n LEU 16 CO 0.00 -0.04 0.13 1.21 -1.11 0.00 0.00 177.39 177.58 1wi3 n GLU 17 N -1.27 0.00 -0.21 1.96 2.13 -1.25 0.12 120.64 122.11 1wi3 n GLU 17 Ca 0.00 0.26 0.04 0.00 0.66 0.00 0.00 57.16 58.12 1wi3 n GLU 17 Cb 0.00 -0.56 0.09 0.00 0.27 0.00 0.00 31.44 31.24 1wi3 n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1wi3 n ALA 18 N -0.97 0.16 -0.49 4.31 0.00 -1.25 -0.08 120.51 122.18 1wi3 n ALA 18 Ca 0.00 0.64 0.00 0.00 0.00 0.00 0.00 53.44 54.08 1wi3 n ALA 18 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.05 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 -4.93 0.00 -0.26 0.00 7.94 0.32 -0.50 117.00 119.58 1wi3 n LEU 19 Ca 0.10 0.76 -0.04 0.00 -1.11 0.00 0.00 56.01 55.71 1wi3 n LEU 19 Cb 0.32 -0.26 0.01 0.00 0.53 0.00 0.00 43.42 44.02 1wi3 n LEU 19 CO -0.07 -0.26 0.61 1.23 -1.11 0.00 0.00 177.39 177.80 1wi3 h GLY 20 N 0.00 -0.09 -0.95 -3.96 0.00 0.18 1.56 103.07 99.80 1wi3 h GLY 20 Ca 0.00 0.47 0.26 0.00 0.00 0.00 0.00 47.33 48.06 1wi3 h GLY 20 CO 0.00 -0.20 -0.02 -2.22 0.00 0.00 0.00 176.54 174.10 1wi3 h ILE 21 N -0.12 0.03 0.09 2.60 2.04 -0.32 1.88 117.51 123.70 1wi3 h ILE 21 Ca 0.26 -0.00 -0.26 0.00 1.00 0.00 0.00 64.86 65.85 1wi3 h ILE 21 Cb 0.56 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.65 1wi3 h ILE 21 CO -0.77 0.00 -1.24 0.17 0.00 0.00 0.00 178.15 176.31 1wi3 h LEU 22 N 0.01 0.31 -0.96 1.44 8.10 0.24 -3.27 115.31 121.18 1wi3 h LEU 22 Ca 0.57 -0.35 0.01 0.00 0.11 0.00 0.00 57.88 58.23 1wi3 h LEU 22 Cb 1.14 -0.10 -0.05 0.00 -0.44 0.00 0.00 40.66 41.21 1wi3 h LEU 22 CO -0.93 1.28 0.63 -0.61 -4.11 0.00 0.00 178.44 174.70 1wi3 h GLN 23 N 0.05 1.24 -0.90 0.17 -0.00 1.20 -1.31 115.11 115.57 1wi3 h GLN 23 Ca -0.13 -0.07 0.02 0.00 -0.00 0.00 0.00 58.65 58.47 1wi3 h GLN 23 Cb 1.93 -0.28 -0.05 0.00 0.00 0.00 0.00 27.48 29.08 1wi3 h GLN 23 CO 0.18 0.82 0.59 1.03 0.00 0.00 0.00 178.83 181.45 1wi3 h SER 24 N 1.28 1.00 0.39 -0.69 0.87 0.22 -0.84 113.55 115.78 1wi3 h SER 24 Ca 0.36 -0.02 -0.08 0.00 -1.23 0.00 0.00 61.79 60.82 1wi3 h SER 24 Cb -0.12 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 61.59 1wi3 h SER 24 CO -0.09 0.71 -0.36 0.15 -0.53 0.00 0.00 176.83 176.71 1wi3 h PHE 25 N 1.18 0.00 -0.37 2.24 3.04 -1.38 -1.24 116.94 120.41 1wi3 h PHE 25 Ca 0.34 0.00 -0.11 0.00 3.98 0.00 0.00 57.97 62.18 1wi3 h PHE 25 Cb -0.08 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.42 1wi3 h PHE 25 CO -0.01 0.36 -0.21 0.82 -2.02 0.00 0.00 178.31 177.25 1wi3 h ILE 26 N 0.00 1.28 0.00 1.41 2.04 -0.12 0.67 117.51 122.79 1wi3 h ILE 26 Ca -0.00 -1.35 0.00 0.00 1.00 0.00 0.00 64.86 64.50 1wi3 h ILE 26 Cb 0.66 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 38.10 1wi3 h ILE 26 CO 0.05 0.45 0.00 1.57 0.00 0.00 0.00 178.15 180.21 1wi3 n HIS 27 N -4.25 0.40 -0.10 1.37 -0.00 -0.59 0.16 115.22 112.21 1wi3 n HIS 27 Ca -0.02 0.13 -0.19 0.00 0.46 0.00 0.00 57.72 58.10 1wi3 n HIS 27 Cb 0.44 -0.71 -0.09 0.00 -0.12 0.00 0.00 29.99 29.50 1wi3 n HIS 27 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 1wi3 n ASP 28 N -1.84 1.87 -0.04 0.26 2.03 -0.50 -4.58 116.55 113.74 1wi3 n ASP 28 Ca 0.05 0.45 -0.17 0.00 0.52 0.00 0.00 54.79 55.64 1wi3 n ASP 28 Cb 0.31 -0.92 -0.13 0.00 -0.72 0.00 0.00 41.12 39.66 1wi3 n ASP 28 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1wi3 h VAL 29 N -1.00 1.60 0.00 5.18 -1.51 0.30 -3.51 116.25 117.31 1wi3 h VAL 29 Ca -0.32 -2.38 0.00 0.00 -1.23 0.00 0.00 66.70 62.78 1wi3 h VAL 29 Cb 1.17 3.19 0.00 0.00 -2.13 0.00 0.00 31.29 33.52 1wi3 h VAL 29 CO -0.19 0.61 0.00 0.61 -1.23 0.00 0.00 177.57 177.37 1wi3 n GLY 30 N 1.61 1.04 2.77 5.19 0.00 0.43 -4.77 105.19 111.45 1wi3 n GLY 30 Ca -0.14 -0.65 -0.01 0.00 0.00 0.00 0.00 46.02 45.22 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 0.38 -3.18 0.99 4.77 -1.26 -4.37 117.00 114.33 1wi3 n LEU 31 Ca 0.00 -3.13 -0.23 0.00 -0.03 0.00 0.00 56.01 52.63 1wi3 n LEU 31 Cb 0.00 0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 41.35 1wi3 n LEU 31 CO 0.00 1.32 -0.25 -1.22 -1.33 0.00 0.00 177.39 175.91 1wi3 n TYR 32 N -0.93 -0.87 -2.48 -1.77 4.01 -1.26 -5.02 117.16 108.84 1wi3 n TYR 32 Ca -0.02 -3.27 -0.41 0.00 -0.16 0.00 0.00 57.90 54.03 1wi3 n TYR 32 Cb 0.83 0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.84 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 -0.67 4.52 0.22 -0.72 0.04 -1.26 -5.03 135.00 132.10 1wi3 s PRO 33 Ca 0.34 1.73 -0.03 0.00 0.04 0.00 0.00 61.00 63.09 1wi3 s PRO 33 Cb 0.14 -3.31 -0.05 0.00 0.04 0.00 0.00 34.50 31.32 1wi3 s PRO 33 CO -0.14 -0.08 0.45 -0.51 0.04 0.00 0.00 177.00 176.76 1wi3 s ASP 34 N 0.44 6.43 0.58 6.66 1.11 -1.26 -4.83 116.67 125.80 1wi3 s ASP 34 Ca 0.53 0.55 0.37 0.00 0.18 0.00 0.00 52.55 54.19 1wi3 s ASP 34 Cb -0.29 -2.07 1.37 0.00 1.07 0.00 0.00 42.92 42.99 1wi3 s ASP 34 CO 0.32 -0.08 1.53 1.56 1.18 0.00 0.00 175.17 179.68 1wi3 h GLN 35 N 2.06 0.00 0.02 8.23 1.08 -1.98 1.48 115.11 126.00 1wi3 h GLN 35 Ca -0.47 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 56.63 1wi3 h GLN 35 Cb 1.19 0.00 0.01 0.00 -0.05 0.00 0.00 27.48 28.62 1wi3 h GLN 35 CO 0.68 0.00 -0.39 1.49 -0.95 0.00 0.00 178.83 179.66 1wi3 h GLU 36 N 0.00 0.23 -0.61 1.46 4.81 -1.99 -2.02 114.58 116.47 1wi3 h GLU 36 Ca 0.65 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 59.58 1wi3 h GLU 36 Cb 3.01 0.08 -0.03 0.00 0.63 0.00 0.00 28.75 32.44 1wi3 h GLU 36 CO -0.01 1.02 0.29 0.00 -0.73 0.00 0.00 179.01 179.58 1wi3 h ALA 37 N 0.23 0.79 -0.79 2.92 0.00 0.15 -1.49 119.26 121.06 1wi3 h ALA 37 Ca -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.70 1wi3 h ALA 37 Cb 1.17 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 1wi3 h ALA 37 CO 0.08 0.36 0.42 0.82 0.00 0.00 0.00 179.25 180.92 1wi3 h ILE 38 N 0.84 1.24 -0.70 0.00 2.04 -0.68 -0.09 117.51 120.15 1wi3 h ILE 38 Ca 0.21 -0.63 0.02 0.00 1.00 0.00 0.00 64.86 65.46 1wi3 h ILE 38 Cb 0.13 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.37 1wi3 h ILE 38 CO -0.03 0.28 0.47 -0.74 0.00 0.00 0.00 178.15 178.13 1wi3 h HIS 39 N 1.11 0.85 -0.09 1.37 2.76 -0.75 0.65 115.15 121.06 1wi3 h HIS 39 Ca 0.28 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.31 1wi3 h HIS 39 Cb 0.06 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.73 1wi3 h HIS 39 CO 0.01 0.52 -0.64 1.15 -1.30 0.00 0.00 177.93 177.66 1wi3 h THR 40 N 0.90 1.38 -0.06 6.26 2.02 -0.29 -1.55 112.91 121.58 1wi3 h THR 40 Ca 0.27 -2.03 -0.21 0.00 0.77 0.00 0.00 66.41 65.21 1wi3 h THR 40 Cb -0.03 2.02 0.00 0.00 -1.74 0.00 0.00 68.15 68.40 1wi3 h THR 40 CO -0.07 0.61 -0.83 -0.07 0.37 0.00 0.00 175.52 175.53 1wi3 h LEU 41 N 0.24 0.60 -0.63 2.58 3.38 0.31 0.61 115.31 122.40 1wi3 h LEU 41 Ca -0.01 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.53 1wi3 h LEU 41 Cb 1.18 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1wi3 h LEU 41 CO 0.11 1.20 0.00 -1.28 0.09 0.00 0.00 178.44 178.56 1wi3 h SER 42 N 0.31 0.00 0.00 -0.43 0.87 0.36 -2.44 113.55 112.22 1wi3 h SER 42 Ca -0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 1wi3 h SER 42 Cb 1.44 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.40 1wi3 h SER 42 CO 0.15 0.00 -0.24 0.00 -0.53 0.00 0.00 176.83 176.21 1wi3 n ALA 43 N -1.90 0.21 -0.33 6.23 0.00 -0.59 -1.01 120.51 123.11 1wi3 n ALA 43 Ca 0.03 -0.37 0.18 0.00 0.00 0.00 0.00 53.44 53.28 1wi3 n ALA 43 Cb 0.34 0.01 0.35 0.00 0.00 0.00 0.00 19.45 20.15 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 -0.26 0.04 0.00 0.00 4.15 0.10 0.68 115.11 119.81 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 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 27.87 1wi3 h GLN 44 CO 0.00 0.02 -1.73 1.28 -1.93 0.00 0.00 178.83 176.48 1wi3 n LEU 45 N -5.40 0.82 0.00 -2.39 4.77 -0.92 -4.97 117.00 108.91 1wi3 n LEU 45 Ca 0.26 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.63 1wi3 n LEU 45 Cb 0.86 0.18 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 1wi3 n LEU 45 CO -0.03 0.37 0.00 -0.67 -1.33 0.00 0.00 177.39 175.73 1wi3 n ASP 46 N -3.01 -1.96 -4.97 -1.43 -0.08 0.24 -4.91 116.55 100.42 1wi3 n ASP 46 Ca -0.17 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 52.90 1wi3 n ASP 46 Cb 1.04 -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 4.00 0.69 -2.67 1.43 -0.18 -4.89 118.68 117.06 1wi3 s LEU 47 Ca 0.00 0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.07 1wi3 s LEU 47 Cb 0.00 -2.96 0.00 0.00 0.03 0.00 0.00 46.19 43.27 1wi3 s LEU 47 CO 0.00 -0.37 1.06 -2.16 0.23 0.00 0.00 176.35 175.11 1wi3 s PRO 48 N -4.22 2.97 0.04 1.29 0.04 -1.26 -3.98 135.00 129.88 1wi3 s PRO 48 Ca 0.42 0.96 -0.26 0.00 0.04 0.00 0.00 61.00 62.16 1wi3 s PRO 48 Cb -0.09 -1.99 -0.17 0.00 0.04 0.00 0.00 34.50 32.28 1wi3 s PRO 48 CO 0.33 -1.07 1.48 0.87 0.04 0.00 0.00 177.00 178.65 1wi3 h LYS 49 N -0.65 -0.31 -0.66 4.56 1.57 -1.93 -1.69 116.57 117.46 1wi3 h LYS 49 Ca -0.44 0.02 0.14 0.00 -1.87 0.00 0.00 60.65 58.50 1wi3 h LYS 49 Cb 1.21 0.07 -0.11 0.00 0.08 0.00 0.00 32.23 33.48 1wi3 h LYS 49 CO 0.57 -0.08 0.04 1.12 -0.57 0.00 0.00 179.45 180.54 1wi3 h HIS 50 N -0.51 0.03 0.50 -1.35 2.07 -1.97 0.70 115.15 114.62 1wi3 h HIS 50 Ca -0.03 0.05 -0.01 0.00 -2.85 0.00 0.00 60.37 57.52 1wi3 h HIS 50 Cb 0.38 0.09 -0.02 0.00 2.57 0.00 0.00 27.41 30.42 1wi3 h HIS 50 CO -0.01 -0.15 -0.50 1.15 -3.07 0.00 0.00 177.93 175.35 1wi3 h THR 51 N 0.15 0.00 -0.47 6.12 2.02 -1.90 1.45 112.91 120.28 1wi3 h THR 51 Ca 0.35 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.62 1wi3 h THR 51 Cb 0.59 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.93 1wi3 h THR 51 CO -0.54 0.00 0.05 0.40 0.37 0.00 0.00 175.52 175.80 1wi3 h ILE 52 N -0.99 0.69 0.66 3.11 2.04 -0.36 0.45 117.51 123.11 1wi3 h ILE 52 Ca -0.06 -0.06 -0.03 0.00 1.00 0.00 0.00 64.86 65.71 1wi3 h ILE 52 Cb 0.86 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1wi3 h ILE 52 CO -0.06 0.03 -0.43 0.40 0.00 0.00 0.00 178.15 178.09 1wi3 h ILE 53 N 0.18 0.14 -0.29 -0.67 2.04 0.82 -1.31 117.51 118.40 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 0.33 0.14 -0.04 0.00 -0.74 0.00 0.00 36.82 36.50 1wi3 h ILE 53 CO -0.34 0.00 -0.26 0.11 0.00 0.00 0.00 178.15 177.66 1wi3 h LYS 54 N -1.03 -0.10 -0.94 2.37 1.57 0.26 0.26 116.57 118.96 1wi3 h LYS 54 Ca -0.08 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.86 1wi3 h LYS 54 Cb 0.84 0.02 -0.16 0.00 0.08 0.00 0.00 32.23 33.01 1wi3 h LYS 54 CO 0.07 -0.07 -0.34 0.35 -0.57 0.00 0.00 179.45 178.89 1wi3 h PHE 55 N -0.11 -0.90 0.01 -1.35 3.57 -0.85 0.16 116.94 117.48 1wi3 h PHE 55 Ca 0.05 0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.67 1wi3 h PHE 55 Cb 0.23 0.53 -0.04 0.00 2.79 0.00 0.00 35.95 39.47 1wi3 h PHE 55 CO -0.79 -0.40 -0.25 0.74 -2.23 0.00 0.00 178.31 175.38 1wi3 h PHE 56 N -0.02 -0.66 -0.97 0.41 0.04 0.23 -1.32 116.94 114.65 1wi3 h PHE 56 Ca 0.37 0.02 0.39 0.00 2.80 0.00 0.00 57.97 61.55 1wi3 h PHE 56 Cb 0.62 0.29 -0.18 0.00 2.20 0.00 0.00 35.95 38.89 1wi3 h PHE 56 CO -0.81 -0.34 0.45 1.04 -0.60 0.00 0.00 178.31 178.06 1wi3 n GLN 57 N -5.37 -0.06 0.05 1.51 6.02 0.72 0.17 117.38 120.42 1wi3 n GLN 57 Ca -0.05 1.36 -0.13 0.00 -0.01 0.00 0.00 57.00 58.17 1wi3 n GLN 57 Cb 0.28 -2.40 -0.08 0.00 1.02 0.00 0.00 30.24 29.06 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 -0.07 -0.59 1.08 -1.24 -0.84 -2.16 115.58 111.75 1wi3 h ASN 58 Ca 0.79 -0.21 0.11 0.00 0.71 0.00 0.00 56.30 57.70 1wi3 h ASN 58 Cb 2.05 0.02 -0.11 0.00 0.73 0.00 0.00 38.32 41.00 1wi3 h ASN 58 CO -0.77 0.17 -0.33 1.56 -1.29 0.00 0.00 177.43 176.77 1wi3 h GLN 59 N -0.32 -0.15 0.24 6.67 7.50 0.20 0.94 115.11 130.20 1wi3 h GLN 59 Ca -0.01 0.01 -0.01 0.00 0.50 0.00 0.00 58.65 59.15 1wi3 h GLN 59 Cb 0.28 0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.83 1wi3 h GLN 59 CO 0.01 -0.10 -0.28 -0.09 -1.50 0.00 0.00 178.83 176.88 1wi3 h ARG 60 N -0.15 -0.51 -0.99 1.46 2.43 -1.20 -1.49 114.38 113.93 1wi3 h ARG 60 Ca 0.24 0.03 0.20 0.00 -0.81 0.00 0.00 59.98 59.64 1wi3 h ARG 60 Cb 0.55 0.12 -0.19 0.00 -0.42 0.00 0.00 29.97 30.03 1wi3 h ARG 60 CO -0.68 -0.34 -0.25 -0.92 -1.51 0.00 0.00 179.97 176.27 1wi3 h TYR 61 N -0.53 -0.53 0.00 2.20 3.20 -0.72 -2.11 116.97 118.48 1wi3 h TYR 61 Ca -0.03 0.09 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1wi3 h TYR 61 Cb 0.47 0.39 0.00 0.00 1.54 0.00 0.00 36.73 39.12 1wi3 h TYR 61 CO -0.21 -0.42 0.00 0.72 -1.64 0.00 0.00 178.16 176.61 1wi3 n HIS 62 N -5.62 0.00 -1.41 -3.82 8.25 0.27 -4.65 115.22 108.23 1wi3 n HIS 62 Ca 0.16 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.25 1wi3 n HIS 62 Cb 0.49 -0.19 0.06 0.00 1.12 0.00 0.00 29.99 31.47 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 2.51 0.06 1.59 3.14 -0.60 -4.95 118.33 118.80 1wi3 n VAL 63 Ca 0.00 -0.44 0.00 0.00 -2.96 0.00 0.00 64.34 60.94 1wi3 n VAL 63 Cb 0.00 -0.86 0.00 0.00 -1.06 0.00 0.00 33.84 31.92 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 -0.79 0.00 0.01 1.45 4.81 -1.26 -4.83 118.16 117.55 1wi3 n LYS 64 Ca 0.12 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.55 1wi3 n LYS 64 Cb 0.49 -0.26 -0.00 0.00 0.02 0.00 0.00 35.03 35.27 1wi3 n LYS 64 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 1wi3 n HIS 65 N -3.28 0.00 0.00 5.64 8.25 -1.26 -4.99 115.22 119.57 1wi3 n HIS 65 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1wi3 n HIS 65 Cb 0.00 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.08 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 -3.01 0.00 -3.63 0.41 7.64 -1.26 -4.36 113.62 109.42 1wi3 n SER 66 Ca -0.01 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.58 1wi3 n SER 66 Cb 0.03 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.09 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 0.00 0.89 -0.73 0.23 0.00 -1.26 -5.08 107.32 101.37 1wi3 s GLY 67 Ca 0.00 -1.57 -0.26 0.00 0.00 0.00 0.00 44.72 42.88 1wi3 s GLY 67 CO 0.00 1.83 1.59 2.56 0.00 0.00 0.00 173.10 179.08 1wi3 s PRO 68 N 1.60 2.95 -0.35 2.90 0.04 -1.26 -4.91 135.00 135.97 1wi3 s PRO 68 Ca 0.11 0.01 -0.01 0.00 0.04 0.00 0.00 61.00 61.16 1wi3 s PRO 68 Cb -0.18 -4.45 0.12 0.00 0.04 0.00 0.00 34.50 30.03 1wi3 s PRO 68 CO -0.24 -2.50 0.17 -1.54 0.04 0.00 0.00 177.00 172.94 1wi3 s SER 69 N 5.97 3.50 -1.07 6.66 1.04 -1.26 -5.06 113.70 123.48 1wi3 s SER 69 Ca 0.52 -1.95 -0.23 0.00 0.48 0.00 0.00 55.95 54.77 1wi3 s SER 69 Cb -0.09 -0.64 -0.01 0.00 0.10 0.00 0.00 66.02 65.38 1wi3 s SER 69 CO 0.14 -0.35 1.79 -0.55 0.98 0.00 0.00 173.24 175.24 1wi3 s SER 70 N 1.28 5.74 0.00 7.02 0.15 -1.26 -5.28 113.70 121.34 1wi3 s SER 70 Ca 0.14 -1.43 0.00 0.00 0.70 0.00 0.00 55.95 55.36 1wi3 s SER 70 Cb -0.20 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.53 1wi3 s SER 70 CO -0.14 -2.26 0.41 0.61 1.20 0.00 0.00 173.24 173.07