#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 5.05 -0.30 1.61 1.04 -1.26 -5.09 113.70 114.76 1wi3 s SER 2 Ca 0.00 0.05 -0.13 0.00 0.48 0.00 0.00 55.95 56.35 1wi3 s SER 2 Cb 0.00 -1.35 0.17 0.00 0.10 0.00 0.00 66.02 64.94 1wi3 s SER 2 CO 0.00 0.34 0.95 -0.55 0.98 0.00 0.00 173.24 174.96 1wi3 s SER 3 N -1.11 -0.65 0.00 7.02 0.15 -1.26 -5.04 113.70 112.82 1wi3 s SER 3 Ca 0.15 0.76 0.00 0.00 0.70 0.00 0.00 55.95 57.57 1wi3 s SER 3 Cb -0.11 1.69 0.00 0.00 -1.71 0.00 0.00 66.02 65.89 1wi3 s SER 3 CO 0.05 -0.12 0.00 0.61 1.20 0.00 0.00 173.24 174.97 1wi3 n GLY 4 N 5.12 0.41 3.43 9.45 0.00 -1.26 -5.05 105.19 117.29 1wi3 n GLY 4 Ca -0.08 -0.53 -0.44 0.00 0.00 0.00 0.00 46.02 44.97 1wi3 n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wi3 s SER 5 N -2.03 6.13 -0.30 1.61 1.04 -1.26 -4.97 113.70 113.93 1wi3 s SER 5 Ca 0.00 -1.06 -0.08 0.00 0.48 0.00 0.00 55.95 55.29 1wi3 s SER 5 Cb 0.00 -2.18 0.18 0.00 0.10 0.00 0.00 66.02 64.13 1wi3 s SER 5 CO 0.00 -0.55 0.93 -0.55 0.98 0.00 0.00 173.24 174.05 1wi3 s SER 6 N 2.08 -0.72 0.20 7.02 0.15 -1.26 -5.18 113.70 116.00 1wi3 s SER 6 Ca 0.05 0.25 0.02 0.00 0.70 0.00 0.00 55.95 56.98 1wi3 s SER 6 Cb -0.21 1.53 -0.05 0.00 -1.71 0.00 0.00 66.02 65.58 1wi3 s SER 6 CO 0.09 -0.13 0.02 -0.83 1.20 0.00 0.00 173.24 173.58 1wi3 s GLY 7 N 2.93 1.41 -1.14 9.45 0.00 -1.26 -5.05 107.32 113.65 1wi3 s GLY 7 Ca 0.13 -1.69 -0.19 0.00 0.00 0.00 0.00 44.72 42.97 1wi3 s GLY 7 CO -0.19 -1.58 2.00 -1.55 0.00 0.00 0.00 173.10 171.78 1wi3 n PRO 8 N -0.33 2.22 -3.57 2.90 -0.04 -1.26 -4.79 135.00 130.13 1wi3 n PRO 8 Ca -0.05 -2.41 -0.14 0.00 -0.04 0.00 0.00 63.50 60.85 1wi3 n PRO 8 Cb 0.64 -3.26 -0.12 0.00 -0.04 0.00 0.00 33.50 30.72 1wi3 n PRO 8 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wi3 s ARG 9 N 4.52 0.19 0.27 0.54 0.52 -1.26 -5.14 118.95 118.59 1wi3 s ARG 9 Ca 0.55 0.54 -0.29 0.00 -0.52 0.00 0.00 55.73 56.02 1wi3 s ARG 9 Cb 0.10 -0.48 -0.09 0.00 0.52 0.00 0.00 34.95 35.00 1wi3 s ARG 9 CO 0.05 -0.45 0.95 -1.12 0.02 0.00 0.00 175.30 174.74 1wi3 s SER 10 N 2.41 7.54 -0.16 0.23 0.01 -1.26 -4.49 113.70 117.97 1wi3 s SER 10 Ca 0.05 1.93 -0.03 0.00 1.31 0.00 0.00 55.95 59.20 1wi3 s SER 10 Cb -0.14 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.50 1wi3 s SER 10 CO -0.11 0.08 0.06 -1.14 0.41 0.00 0.00 173.24 172.54 1wi3 n ARG 11 N 1.19 -2.63 -3.65 12.44 0.00 -1.26 -5.05 116.66 117.70 1wi3 n ARG 11 Ca -0.01 2.22 0.02 0.00 -0.00 0.00 0.00 57.85 60.09 1wi3 n ARG 11 Cb 0.48 -3.52 -0.06 0.00 0.00 0.00 0.00 32.46 29.36 1wi3 n ARG 11 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1wi3 s THR 12 N -1.00 0.00 0.11 5.15 -1.32 -1.26 -5.12 115.64 112.20 1wi3 s THR 12 Ca -0.07 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.41 1wi3 s THR 12 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1wi3 s THR 12 CO 0.47 0.00 0.00 0.29 -2.21 0.00 0.00 174.62 173.17 1wi3 n LYS 13 N 2.96 -5.00 -1.45 7.08 5.02 -1.26 -4.65 118.16 120.85 1wi3 n LYS 13 Ca -0.17 3.62 -0.55 0.00 -2.02 0.00 0.00 58.31 59.20 1wi3 n LYS 13 Cb 0.56 -4.15 -0.08 0.00 -0.02 0.00 0.00 35.03 31.33 1wi3 n LYS 13 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 1wi3 n ILE 14 N 1.73 0.16 -0.35 -0.18 -0.00 -1.26 -4.76 119.36 114.69 1wi3 n ILE 14 Ca 0.00 -0.15 0.07 0.00 -0.00 0.00 0.00 62.75 62.67 1wi3 n ILE 14 Cb 0.00 -1.24 0.16 0.00 -0.00 0.00 0.00 39.64 38.56 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 8.26 -0.32 0.00 4.38 7.64 -1.26 -4.83 113.62 127.48 1wi3 n SER 15 Ca 0.42 1.66 0.00 0.00 1.01 0.00 0.00 58.87 61.96 1wi3 n SER 15 Cb 0.13 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.82 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 -5.56 0.00 0.00 -3.43 7.94 -1.26 -5.04 117.00 109.65 1wi3 n LEU 16 Ca 0.16 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.06 1wi3 n LEU 16 Cb 0.52 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.47 1wi3 n LEU 16 CO -0.11 0.00 0.12 -0.62 -1.11 0.00 0.00 177.39 175.67 1wi3 n GLU 17 N 0.00 0.00 -0.10 1.96 4.71 -1.26 -0.20 120.64 125.75 1wi3 n GLU 17 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 57.16 57.39 1wi3 n GLU 17 Cb 0.00 -0.65 0.02 0.00 -1.01 0.00 0.00 31.44 29.80 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 -1.57 -0.01 -0.15 0.62 0.00 -1.26 0.12 120.51 118.26 1wi3 n ALA 18 Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1wi3 n ALA 18 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 19.45 19.32 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 -4.40 0.00 -0.26 0.00 -0.00 0.72 0.44 117.00 113.50 1wi3 n LEU 19 Ca 0.03 0.92 0.07 0.00 -0.00 0.00 0.00 56.01 57.03 1wi3 n LEU 19 Cb 0.11 -0.42 0.20 0.00 -0.00 0.00 0.00 43.42 43.32 1wi3 n LEU 19 CO -0.04 -0.42 0.97 1.23 -0.00 0.00 0.00 177.39 179.14 1wi3 h GLY 20 N 0.00 1.14 0.22 -3.96 0.00 0.14 1.53 103.07 102.13 1wi3 h GLY 20 Ca 0.00 -0.08 0.19 0.00 0.00 0.00 0.00 47.33 47.44 1wi3 h GLY 20 CO 0.00 -0.19 0.61 -2.22 0.00 0.00 0.00 176.54 174.74 1wi3 h ILE 21 N 0.33 0.71 0.10 2.60 2.04 0.45 1.02 117.51 124.77 1wi3 h ILE 21 Ca 0.44 -0.22 -0.32 0.00 1.00 0.00 0.00 64.86 65.76 1wi3 h ILE 21 Cb 0.75 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.82 1wi3 h ILE 21 CO -0.49 0.12 -1.64 0.17 0.00 0.00 0.00 178.15 176.30 1wi3 h LEU 22 N 0.65 0.34 -0.16 1.44 8.10 0.48 -3.33 115.31 122.82 1wi3 h LEU 22 Ca 0.53 -0.55 0.00 0.00 0.11 0.00 0.00 57.88 57.98 1wi3 h LEU 22 Cb 0.98 -0.11 -0.01 0.00 -0.44 0.00 0.00 40.66 41.08 1wi3 h LEU 22 CO -0.29 1.47 0.10 -0.61 -4.11 0.00 0.00 178.44 175.00 1wi3 h GLN 23 N 0.06 0.20 -0.79 0.17 -0.00 0.41 -1.22 115.11 113.95 1wi3 h GLN 23 Ca -0.28 -0.01 0.17 0.00 -0.00 0.00 0.00 58.65 58.53 1wi3 h GLN 23 Cb 2.02 -0.05 -0.11 0.00 0.00 0.00 0.00 27.48 29.34 1wi3 h GLN 23 CO 0.14 0.13 0.26 1.03 0.00 0.00 0.00 178.83 180.39 1wi3 h SER 24 N 0.21 0.15 -0.25 -0.69 0.87 0.82 0.39 113.55 115.05 1wi3 h SER 24 Ca 0.06 0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1wi3 h SER 24 Cb -0.01 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1wi3 h SER 24 CO -0.02 0.00 0.07 0.15 -0.53 0.00 0.00 176.83 176.50 1wi3 h PHE 25 N 0.34 0.41 -0.61 2.24 3.04 -1.53 -1.14 116.94 119.70 1wi3 h PHE 25 Ca 0.46 -0.04 0.18 0.00 3.98 0.00 0.00 57.97 62.54 1wi3 h PHE 25 Cb 0.79 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 39.16 1wi3 h PHE 25 CO -0.21 0.46 0.46 0.82 -2.02 0.00 0.00 178.31 177.82 1wi3 h ILE 26 N 0.23 0.63 0.00 1.41 2.04 0.21 1.21 117.51 123.25 1wi3 h ILE 26 Ca 0.08 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.89 1wi3 h ILE 26 Cb 0.25 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.00 1wi3 h ILE 26 CO -0.00 0.00 -0.60 -0.74 0.00 0.00 0.00 178.15 176.81 1wi3 h HIS 27 N 0.00 0.00 0.00 1.37 2.76 -0.50 -0.25 115.15 118.53 1wi3 h HIS 27 Ca 0.29 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.46 1wi3 h HIS 27 Cb 1.20 0.00 0.00 0.00 1.55 0.00 0.00 27.41 30.16 1wi3 h HIS 27 CO 0.00 0.19 -0.21 -3.47 -1.30 0.00 0.00 177.93 173.13 1wi3 n ASP 28 N -2.97 0.56 0.00 3.26 -0.08 0.39 -4.72 116.55 113.00 1wi3 n ASP 28 Ca 0.00 0.35 0.00 0.00 -1.51 0.00 0.00 54.79 53.64 1wi3 n ASP 28 Cb 0.62 -0.37 0.00 0.00 2.34 0.00 0.00 41.12 43.71 1wi3 n ASP 28 CO 0.00 0.00 0.00 1.33 0.12 0.00 0.00 177.20 178.65 1wi3 n VAL 29 N -1.96 0.00 0.00 5.18 0.24 0.29 -5.07 118.33 117.01 1wi3 n VAL 29 Ca 0.05 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.35 1wi3 n VAL 29 Cb 0.40 -0.02 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 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 2.93 -0.66 1.31 7.63 0.00 -0.11 -4.98 105.19 111.31 1wi3 n GLY 30 Ca 0.00 0.59 0.02 0.00 0.00 0.00 0.00 46.02 46.63 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 0.57 -3.18 0.99 4.77 -1.26 -4.64 117.00 114.25 1wi3 n LEU 31 Ca 0.00 -1.89 -0.19 0.00 -0.03 0.00 0.00 56.01 53.90 1wi3 n LEU 31 Cb 0.00 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.05 1wi3 n LEU 31 CO 0.00 0.64 -0.24 -1.22 -1.33 0.00 0.00 177.39 175.24 1wi3 n TYR 32 N 0.37 0.01 -1.52 -1.77 4.01 -1.26 -5.03 117.16 111.96 1wi3 n TYR 32 Ca 0.00 -3.73 -0.29 0.00 -0.16 0.00 0.00 57.90 53.71 1wi3 n TYR 32 Cb 1.02 -0.38 0.18 0.00 -0.31 0.00 0.00 39.34 39.86 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 -2.10 0.26 0.24 -0.72 0.04 -1.26 -5.08 135.00 126.38 1wi3 s PRO 33 Ca 0.39 -0.04 0.10 0.00 0.04 0.00 0.00 61.00 61.48 1wi3 s PRO 33 Cb 0.31 -1.77 -0.04 0.00 0.04 0.00 0.00 34.50 33.04 1wi3 s PRO 33 CO -0.09 -2.73 -0.07 -0.51 0.04 0.00 0.00 177.00 173.65 1wi3 s ASP 34 N -4.26 4.30 0.56 6.66 1.01 -1.26 -4.95 116.67 118.72 1wi3 s ASP 34 Ca 0.69 -0.68 0.47 0.00 0.71 0.00 0.00 52.55 53.74 1wi3 s ASP 34 Cb -0.10 -0.72 1.67 0.00 1.01 0.00 0.00 42.92 44.79 1wi3 s ASP 34 CO 0.54 0.04 1.62 -0.61 0.21 0.00 0.00 175.17 176.97 1wi3 h GLN 35 N 2.30 0.00 0.02 8.23 4.15 -1.98 1.08 115.11 128.92 1wi3 h GLN 35 Ca -0.44 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 58.97 1wi3 h GLN 35 Cb 1.24 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.93 1wi3 h GLN 35 CO 0.58 0.00 -0.01 1.49 -1.93 0.00 0.00 178.83 178.96 1wi3 h GLU 36 N 0.00 -0.03 -0.84 1.69 4.81 -1.98 0.64 114.58 118.86 1wi3 h GLU 36 Ca 0.83 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 60.07 1wi3 h GLU 36 Cb 3.39 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 32.74 1wi3 h GLU 36 CO -0.01 0.51 0.53 0.00 -0.73 0.00 0.00 179.01 179.31 1wi3 h ALA 37 N 0.35 1.36 -0.38 2.92 0.00 0.69 -0.81 119.26 123.39 1wi3 h ALA 37 Ca -0.00 -0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 1wi3 h ALA 37 Cb 0.55 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1wi3 h ALA 37 CO 0.01 0.57 -0.06 0.82 0.00 0.00 0.00 179.25 180.59 1wi3 h ILE 38 N 1.14 1.27 -0.92 0.00 2.04 -0.76 -1.88 117.51 118.42 1wi3 h ILE 38 Ca 0.30 -1.12 0.08 0.00 1.00 0.00 0.00 64.86 65.12 1wi3 h ILE 38 Cb -0.09 1.23 -0.07 0.00 -0.74 0.00 0.00 36.82 37.14 1wi3 h ILE 38 CO -0.06 0.37 0.57 0.45 0.00 0.00 0.00 178.15 179.48 1wi3 h HIS 39 N 0.52 1.05 -0.31 1.37 3.86 -0.02 0.64 115.15 122.26 1wi3 h HIS 39 Ca 0.10 0.03 -0.08 0.00 -1.16 0.00 0.00 60.37 59.26 1wi3 h HIS 39 Cb 0.56 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.68 1wi3 h HIS 39 CO 0.05 0.51 -0.14 1.15 0.86 0.00 0.00 177.93 180.35 1wi3 h THR 40 N 1.01 1.24 -0.09 2.45 2.02 -0.90 0.24 112.91 118.87 1wi3 h THR 40 Ca 0.41 -1.08 -0.21 0.00 0.77 0.00 0.00 66.41 66.30 1wi3 h THR 40 Cb 0.24 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1wi3 h THR 40 CO -0.20 0.35 -0.80 -0.07 0.37 0.00 0.00 175.52 175.17 1wi3 h LEU 41 N 0.49 0.70 -0.69 2.58 3.38 -0.17 0.68 115.31 122.28 1wi3 h LEU 41 Ca 0.09 -0.48 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1wi3 h LEU 41 Cb 0.54 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1wi3 h LEU 41 CO 0.03 1.26 0.00 -1.28 0.09 0.00 0.00 178.44 178.54 1wi3 h SER 42 N 0.38 0.00 0.00 -0.43 0.87 0.57 -2.43 113.55 112.51 1wi3 h SER 42 Ca -0.05 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 1wi3 h SER 42 Cb 1.41 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.37 1wi3 h SER 42 CO 0.15 0.00 -0.20 0.00 -0.53 0.00 0.00 176.83 176.25 1wi3 n ALA 43 N -1.90 0.17 -0.34 6.23 0.00 0.04 -1.09 120.51 123.63 1wi3 n ALA 43 Ca 0.03 -0.34 0.21 0.00 0.00 0.00 0.00 53.44 53.34 1wi3 n ALA 43 Cb 0.32 0.01 0.41 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.22 0.01 0.00 0.00 4.15 0.24 0.87 115.11 120.16 1wi3 h GLN 44 Ca 0.00 -0.00 -0.28 0.00 0.77 0.00 0.00 58.65 59.14 1wi3 h GLN 44 Cb 0.20 -0.00 -0.05 0.00 0.21 0.00 0.00 27.48 27.84 1wi3 h GLN 44 CO 0.00 0.00 -1.77 1.28 -1.93 0.00 0.00 178.83 176.41 1wi3 n LEU 45 N -5.40 0.73 0.00 -2.39 4.77 -0.92 -4.97 117.00 108.82 1wi3 n LEU 45 Ca 0.29 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.61 1wi3 n LEU 45 Cb 0.96 0.21 0.00 0.00 -2.33 0.00 0.00 43.42 42.26 1wi3 n LEU 45 CO -0.04 0.36 0.00 -0.67 -1.33 0.00 0.00 177.39 175.72 1wi3 n ASP 46 N -2.97 -2.18 -4.97 -1.43 2.03 0.30 -5.03 116.55 102.31 1wi3 n ASP 46 Ca -0.18 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 54.92 1wi3 n ASP 46 Cb 1.03 -0.47 -0.01 0.00 -0.72 0.00 0.00 41.12 40.95 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 4.04 0.73 -2.67 1.43 -0.25 -4.89 118.68 117.08 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 -2.97 0.03 0.00 0.03 0.00 0.00 46.19 43.28 1wi3 s LEU 47 CO 0.00 -0.33 1.07 -2.16 0.23 0.00 0.00 176.35 175.16 1wi3 s PRO 48 N -4.20 2.63 0.02 1.29 0.04 -1.26 -4.00 135.00 129.52 1wi3 s PRO 48 Ca 0.41 0.84 -0.26 0.00 0.04 0.00 0.00 61.00 62.03 1wi3 s PRO 48 Cb -0.09 -1.96 -0.17 0.00 0.04 0.00 0.00 34.50 32.31 1wi3 s PRO 48 CO 0.32 -1.29 1.37 0.87 0.04 0.00 0.00 177.00 178.32 1wi3 h LYS 49 N -0.85 -0.32 -0.85 4.56 1.57 -1.93 -1.40 116.57 117.34 1wi3 h LYS 49 Ca -0.45 0.02 0.20 0.00 -1.87 0.00 0.00 60.65 58.56 1wi3 h LYS 49 Cb 1.23 0.07 -0.12 0.00 0.08 0.00 0.00 32.23 33.49 1wi3 h LYS 49 CO 0.58 -0.04 0.32 1.12 -0.57 0.00 0.00 179.45 180.86 1wi3 h HIS 50 N -0.60 0.52 0.84 -1.35 2.07 -1.97 1.53 115.15 116.20 1wi3 h HIS 50 Ca -0.03 0.04 -0.04 0.00 -2.85 0.00 0.00 60.37 57.49 1wi3 h HIS 50 Cb 0.43 -0.10 0.01 0.00 2.57 0.00 0.00 27.41 30.33 1wi3 h HIS 50 CO 0.01 -0.07 -0.40 1.15 -3.07 0.00 0.00 177.93 175.55 1wi3 h THR 51 N 0.35 0.14 -0.64 6.12 2.02 -1.90 1.39 112.91 120.39 1wi3 h THR 51 Ca 0.52 -0.05 0.05 0.00 0.77 0.00 0.00 66.41 67.70 1wi3 h THR 51 Cb 0.97 0.15 -0.05 0.00 -1.74 0.00 0.00 68.15 67.48 1wi3 h THR 51 CO -0.54 0.00 0.36 0.40 0.37 0.00 0.00 175.52 176.12 1wi3 h ILE 52 N -1.18 0.99 0.88 3.11 2.04 -0.07 0.45 117.51 123.74 1wi3 h ILE 52 Ca -0.12 -0.23 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 1wi3 h ILE 52 Cb 0.87 0.26 0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1wi3 h ILE 52 CO 0.19 0.12 -0.42 0.40 0.00 0.00 0.00 178.15 178.44 1wi3 h ILE 53 N 0.67 0.07 -0.28 -0.67 2.04 0.23 -1.02 117.51 118.54 1wi3 h ILE 53 Ca 0.28 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 66.08 1wi3 h ILE 53 Cb 0.15 0.07 -0.05 0.00 -0.74 0.00 0.00 36.82 36.26 1wi3 h ILE 53 CO -0.16 0.00 -0.28 0.11 0.00 0.00 0.00 178.15 177.82 1wi3 h LYS 54 N -1.26 -0.14 -0.81 2.37 1.57 0.22 0.01 116.57 118.53 1wi3 h LYS 54 Ca -0.12 0.01 0.13 0.00 -1.87 0.00 0.00 60.65 58.80 1wi3 h LYS 54 Cb 0.91 0.03 -0.14 0.00 0.08 0.00 0.00 32.23 33.11 1wi3 h LYS 54 CO 0.20 -0.09 -0.37 0.35 -0.57 0.00 0.00 179.45 178.97 1wi3 h PHE 55 N -0.14 -1.03 -0.63 -1.35 3.57 -0.92 0.25 116.94 116.68 1wi3 h PHE 55 Ca 0.05 0.09 0.13 0.00 3.53 0.00 0.00 57.97 61.77 1wi3 h PHE 55 Cb 0.27 0.57 -0.12 0.00 2.79 0.00 0.00 35.95 39.46 1wi3 h PHE 55 CO -0.75 -0.39 -0.11 0.74 -2.23 0.00 0.00 178.31 175.56 1wi3 h PHE 56 N -0.08 -0.25 -0.84 0.41 0.04 0.28 0.66 116.94 117.16 1wi3 h PHE 56 Ca 0.29 0.05 0.22 0.00 2.80 0.00 0.00 57.97 61.34 1wi3 h PHE 56 Cb 0.57 0.21 -0.05 0.00 2.20 0.00 0.00 35.95 38.89 1wi3 h PHE 56 CO -0.77 -0.25 0.58 1.96 -0.60 0.00 0.00 178.31 179.24 1wi3 h GLN 57 N 0.03 0.16 0.11 1.51 4.20 0.13 0.26 115.11 121.51 1wi3 h GLN 57 Ca 0.31 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.01 1wi3 h GLN 57 Cb 0.49 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1wi3 h GLN 57 CO -0.62 0.11 -0.06 -0.97 -0.67 0.00 0.00 178.83 176.62 1wi3 h ASN 58 N 0.17 -0.13 -0.72 1.46 -1.24 0.78 -2.88 115.58 113.02 1wi3 h ASN 58 Ca 0.42 -0.32 0.10 0.00 0.71 0.00 0.00 56.30 57.21 1wi3 h ASN 58 Cb 1.38 0.03 -0.12 0.00 0.73 0.00 0.00 38.32 40.34 1wi3 h ASN 58 CO -0.08 0.27 -0.43 1.56 -1.29 0.00 0.00 177.43 177.46 1wi3 h GLN 59 N -0.56 -0.14 -0.15 6.67 1.08 -0.29 0.74 115.11 122.45 1wi3 h GLN 59 Ca -0.02 0.01 0.04 0.00 -1.45 0.00 0.00 58.65 57.23 1wi3 h GLN 59 Cb 0.45 0.03 -0.07 0.00 -0.05 0.00 0.00 27.48 27.84 1wi3 h GLN 59 CO 0.03 -0.09 -0.51 0.00 -0.95 0.00 0.00 178.83 177.30 1wi3 h ARG 60 N -0.15 -0.53 -0.26 1.46 3.08 -1.48 0.22 114.38 116.73 1wi3 h ARG 60 Ca 0.22 0.04 0.08 0.00 0.07 0.00 0.00 59.98 60.38 1wi3 h ARG 60 Cb 0.55 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.71 1wi3 h ARG 60 CO -0.78 -0.35 0.20 -0.92 -1.07 0.00 0.00 179.97 177.05 1wi3 h TYR 61 N -0.55 0.00 -3.00 3.04 3.20 -0.89 -3.05 116.97 115.72 1wi3 h TYR 61 Ca 0.05 0.00 -0.74 0.00 3.14 0.00 0.00 58.73 61.18 1wi3 h TYR 61 Cb 0.67 0.00 -0.33 0.00 1.54 0.00 0.00 36.73 38.61 1wi3 h TYR 61 CO -0.57 0.00 0.24 0.72 -1.64 0.00 0.00 178.16 176.91 1wi3 n HIS 62 N -4.32 3.56 -3.88 -3.82 8.25 0.24 -4.99 115.22 110.26 1wi3 n HIS 62 Ca 0.03 -3.51 -0.12 0.00 -0.26 0.00 0.00 57.72 53.86 1wi3 n HIS 62 Cb 0.35 -1.17 -0.14 0.00 1.12 0.00 0.00 29.99 30.15 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 -2.11 0.02 0.13 1.59 0.11 -1.14 -4.71 120.40 114.29 1wi3 s VAL 63 Ca 0.32 -0.01 0.00 0.00 -2.93 0.00 0.00 61.98 59.36 1wi3 s VAL 63 Cb 0.01 -0.03 0.00 0.00 -1.53 0.00 0.00 36.38 34.83 1wi3 s VAL 63 CO -0.01 0.01 0.00 1.17 -3.33 0.00 0.00 175.10 172.94 1wi3 n LYS 64 N 3.08 0.00 -2.27 1.54 4.81 -1.26 -5.05 118.16 119.01 1wi3 n LYS 64 Ca -0.12 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 56.90 1wi3 n LYS 64 Cb 0.60 -0.13 -0.03 0.00 0.02 0.00 0.00 35.03 35.49 1wi3 n LYS 64 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 1wi3 s HIS 65 N -1.60 2.98 -0.24 5.64 3.76 -1.26 -4.98 115.29 119.60 1wi3 s HIS 65 Ca 0.00 0.93 -0.24 0.00 -0.15 0.00 0.00 55.06 55.59 1wi3 s HIS 65 Cb 0.00 -3.61 -0.01 0.00 1.11 0.00 0.00 32.58 30.07 1wi3 s HIS 65 CO 0.00 -2.18 0.81 0.45 -0.85 0.00 0.00 174.74 172.97 1wi3 s SER 66 N 1.69 6.82 0.12 1.40 0.15 -1.26 -4.89 113.70 117.72 1wi3 s SER 66 Ca 0.62 1.01 0.00 0.00 0.70 0.00 0.00 55.95 58.29 1wi3 s SER 66 Cb -0.31 -2.43 0.00 0.00 -1.71 0.00 0.00 66.02 61.57 1wi3 s SER 66 CO 0.26 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.81 1wi3 n GLY 67 N 3.77 -2.11 3.57 9.45 0.00 -1.26 -4.65 105.19 113.96 1wi3 n GLY 67 Ca 0.05 -1.42 -0.41 0.00 0.00 0.00 0.00 46.02 44.24 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 -1.10 3.15 -0.28 1.61 0.04 -1.26 -4.92 135.00 132.24 1wi3 s PRO 68 Ca 0.00 0.44 -0.18 0.00 0.04 0.00 0.00 61.00 61.30 1wi3 s PRO 68 Cb 0.00 -4.19 0.11 0.00 0.04 0.00 0.00 34.50 30.46 1wi3 s PRO 68 CO 0.00 -2.12 0.82 0.45 0.04 0.00 0.00 177.00 176.19 1wi3 s SER 69 N 5.16 -0.73 0.44 6.66 0.15 -1.26 -5.18 113.70 118.94 1wi3 s SER 69 Ca 0.54 1.21 0.08 0.00 0.70 0.00 0.00 55.95 58.48 1wi3 s SER 69 Cb -0.11 1.29 0.02 0.00 -1.71 0.00 0.00 66.02 65.50 1wi3 s SER 69 CO 0.23 -0.19 0.59 -0.44 1.20 0.00 0.00 173.24 174.63 1wi3 s SER 70 N 1.28 5.60 0.00 5.45 0.01 -1.26 -4.94 113.70 119.84 1wi3 s SER 70 Ca -0.07 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 56.73 1wi3 s SER 70 Cb -0.05 -0.57 0.00 0.00 0.21 0.00 0.00 66.02 65.61 1wi3 s SER 70 CO -0.15 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 173.29