#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw5 s LYS 2 N 0.00 4.31 0.00 0.03 0.00 -1.26 -5.02 119.74 117.80 1bw5 s LYS 2 Ca 0.00 1.27 0.00 0.00 0.00 0.00 0.00 55.97 57.24 1bw5 s LYS 2 Cb 0.00 -3.60 0.00 0.00 0.00 0.00 0.00 37.83 34.23 1bw5 s LYS 2 CO 0.00 -0.47 0.00 0.25 0.00 0.00 0.00 175.35 175.13 1bw5 n THR 3 N 4.97 0.00 -2.06 3.79 -2.24 -1.26 -5.07 114.28 112.41 1bw5 n THR 3 Ca 0.09 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.81 1bw5 n THR 3 Cb 0.47 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.80 1bw5 n THR 3 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 1bw5 n THR 4 N 0.00 1.89 -0.64 4.28 -1.04 -1.26 -5.11 114.28 112.39 1bw5 n THR 4 Ca 0.00 -3.24 0.05 0.00 -2.04 0.00 0.00 64.05 58.82 1bw5 n THR 4 Cb 0.00 -0.17 -0.01 0.00 -1.82 0.00 0.00 70.33 68.32 1bw5 n THR 4 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 1bw5 n ARG 5 N -0.67 -0.76 -1.84 -2.82 3.00 -1.26 -4.64 116.66 107.68 1bw5 n ARG 5 Ca 0.25 0.50 -0.39 0.00 -0.00 0.00 0.00 57.85 58.20 1bw5 n ARG 5 Cb 0.87 -0.92 0.02 0.00 0.00 0.00 0.00 32.46 32.43 1bw5 n ARG 5 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 1bw5 s VAL 6 N -1.15 2.16 0.00 5.15 0.11 -1.26 -4.92 120.40 120.50 1bw5 s VAL 6 Ca 0.00 0.14 0.00 0.00 -2.93 0.00 0.00 61.98 59.19 1bw5 s VAL 6 Cb 0.00 -3.08 0.00 0.00 -1.53 0.00 0.00 36.38 31.77 1bw5 s VAL 6 CO 0.00 0.01 0.61 -1.14 -3.33 0.00 0.00 175.10 171.25 1bw5 n ARG 7 N -0.34 0.00 -1.15 1.54 0.63 -1.26 -5.12 116.66 110.96 1bw5 n ARG 7 Ca 0.06 -0.56 -0.30 0.00 -0.92 0.00 0.00 57.85 56.13 1bw5 n ARG 7 Cb 0.43 -0.39 0.22 0.00 0.45 0.00 0.00 32.46 33.17 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1bw5 s THR 8 N 0.00 1.70 -0.23 5.15 -4.23 -1.26 -4.99 115.64 111.78 1bw5 s THR 8 Ca 0.00 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.65 1bw5 s THR 8 Cb 0.00 -2.52 0.46 0.00 1.34 0.00 0.00 72.50 71.78 1bw5 s THR 8 CO 0.00 0.00 1.18 1.33 -0.54 0.00 0.00 174.62 176.59 1bw5 n VAL 9 N -4.59 1.89 -2.53 2.29 0.24 -1.26 -5.03 118.33 109.34 1bw5 n VAL 9 Ca 0.12 -3.33 -0.43 0.00 -2.04 0.00 0.00 64.34 58.66 1bw5 n VAL 9 Cb 0.59 -0.16 -0.02 0.00 -1.47 0.00 0.00 33.84 32.78 1bw5 n VAL 9 CO 0.00 0.00 0.00 -0.22 -2.14 0.00 0.00 176.83 174.47 1bw5 s LEU 10 N -3.12 3.66 0.48 1.34 1.98 -1.26 -5.01 118.68 116.74 1bw5 s LEU 10 Ca 0.41 0.66 -0.01 0.00 -2.89 0.00 0.00 54.13 52.29 1bw5 s LEU 10 Cb 0.38 -3.55 -0.00 0.00 0.66 0.00 0.00 46.19 43.68 1bw5 s LEU 10 CO -0.03 -1.26 0.72 0.54 -1.89 0.00 0.00 176.35 174.43 1bw5 s ASN 11 N 2.79 5.82 0.45 3.68 2.20 -1.26 -4.93 114.94 123.69 1bw5 s ASN 11 Ca 0.52 0.41 0.25 0.00 -0.94 0.00 0.00 52.86 53.10 1bw5 s ASN 11 Cb -0.10 -1.62 1.28 0.00 -2.00 0.00 0.00 41.25 38.81 1bw5 s ASN 11 CO 0.30 -0.76 1.78 -0.33 -2.94 0.00 0.00 177.10 175.15 1bw5 h GLU 12 N 0.28 0.23 -0.03 3.55 5.08 -2.01 -1.92 114.58 119.75 1bw5 h GLU 12 Ca -0.46 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 57.87 1bw5 h GLU 12 Cb 1.25 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 1bw5 h GLU 12 CO 0.58 0.15 -0.04 -0.22 -1.00 0.00 0.00 179.01 178.49 1bw5 h LYS 13 N 0.24 0.09 -0.90 2.33 3.64 -2.01 -3.23 116.57 116.73 1bw5 h LYS 13 Ca 0.59 -0.05 0.10 0.00 -1.27 0.00 0.00 60.65 60.03 1bw5 h LYS 13 Cb 1.81 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 33.55 1bw5 h LYS 13 CO -0.20 0.56 0.54 1.96 -2.27 0.00 0.00 179.45 180.04 1bw5 h GLN 14 N -0.39 0.86 -0.82 1.90 4.20 -1.72 -1.97 115.11 117.17 1bw5 h GLN 14 Ca 0.00 -0.05 0.11 0.00 0.06 0.00 0.00 58.65 58.77 1bw5 h GLN 14 Cb 0.55 -0.19 -0.08 0.00 0.30 0.00 0.00 27.48 28.06 1bw5 h GLN 14 CO 0.01 0.57 0.44 1.25 -0.67 0.00 0.00 178.83 180.43 1bw5 h LEU 15 N 0.88 0.59 -0.53 1.46 5.85 -1.54 -2.69 115.31 119.35 1bw5 h LEU 15 Ca 0.44 0.06 0.10 0.00 0.84 0.00 0.00 57.88 59.33 1bw5 h LEU 15 Cb 0.40 -0.04 -0.11 0.00 0.37 0.00 0.00 40.66 41.28 1bw5 h LEU 15 CO -0.25 0.31 -0.23 -0.74 -0.34 0.00 0.00 178.44 177.20 1bw5 h HIS 16 N 0.71 -0.57 0.50 1.25 2.76 -1.40 -1.45 115.15 116.95 1bw5 h HIS 16 Ca 0.41 0.06 -0.02 0.00 -2.20 0.00 0.00 60.37 58.62 1bw5 h HIS 16 Cb 0.46 0.33 -0.01 0.00 1.55 0.00 0.00 27.41 29.74 1bw5 h HIS 16 CO -0.08 -0.31 -0.37 1.79 -1.30 0.00 0.00 177.93 177.66 1bw5 h THR 17 N -0.10 0.00 -0.79 6.26 1.35 -1.58 -2.65 112.91 115.40 1bw5 h THR 17 Ca 0.24 0.00 0.19 0.00 -0.55 0.00 0.00 66.41 66.29 1bw5 h THR 17 Cb 0.48 0.00 -0.05 0.00 -1.73 0.00 0.00 68.15 66.85 1bw5 h THR 17 CO -0.59 0.00 0.54 -0.07 -0.25 0.00 0.00 175.52 175.15 1bw5 h LEU 18 N -0.84 0.24 -0.36 3.87 3.38 -1.57 -2.33 115.31 117.70 1bw5 h LEU 18 Ca -0.07 0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.00 1bw5 h LEU 18 Cb 0.70 -0.03 -0.08 0.00 0.09 0.00 0.00 40.66 41.34 1bw5 h LEU 18 CO 0.03 0.11 -0.24 -0.09 0.09 0.00 0.00 178.44 178.34 1bw5 h ARG 19 N 0.25 -0.18 0.00 1.13 2.43 -0.89 -0.63 114.38 116.49 1bw5 h ARG 19 Ca 0.39 0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.50 1bw5 h ARG 19 Cb 1.16 0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.74 1bw5 h ARG 19 CO -0.09 -0.12 -0.36 1.79 -1.51 0.00 0.00 179.97 179.68 1bw5 h THR 20 N -0.19 1.05 0.60 0.20 1.35 -1.43 -3.12 112.91 111.37 1bw5 h THR 20 Ca 0.18 -1.31 -0.03 0.00 -0.55 0.00 0.00 66.41 64.70 1bw5 h THR 20 Cb 0.47 1.75 0.01 0.00 -1.73 0.00 0.00 68.15 68.64 1bw5 h THR 20 CO -0.47 0.35 -0.29 0.00 -0.25 0.00 0.00 175.52 174.86 1bw5 h TYR 22 N -1.01 1.00 -0.37 0.00 3.20 -1.43 0.49 116.97 118.85 1bw5 h TYR 22 Ca -0.08 0.03 0.04 0.00 3.14 0.00 0.00 58.73 61.86 1bw5 h TYR 22 Cb 0.62 -0.29 -0.04 0.00 1.54 0.00 0.00 36.73 38.56 1bw5 h TYR 22 CO 0.04 0.13 0.14 0.00 -1.64 0.00 0.00 178.16 176.82 1bw5 h ALA 23 N 1.69 0.44 -0.14 1.82 0.00 -1.50 -2.79 119.26 118.78 1bw5 h ALA 23 Ca 0.61 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.57 1bw5 h ALA 23 Cb 1.13 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1bw5 h ALA 23 CO -0.42 -0.25 0.00 0.00 0.00 0.00 0.00 179.25 178.58 1bw5 n ALA 24 N -2.34 2.46 -3.21 0.00 0.00 -0.49 -4.74 120.51 112.18 1bw5 n ALA 24 Ca 0.02 -0.76 -0.05 0.00 0.00 0.00 0.00 53.44 52.65 1bw5 n ALA 24 Cb 0.13 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.68 1bw5 n ALA 24 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1bw5 s ASN 25 N -1.83 -0.74 0.00 0.00 3.84 0.16 -4.98 114.94 111.39 1bw5 s ASN 25 Ca 0.32 -1.14 0.12 0.00 0.21 0.00 0.00 52.86 52.37 1bw5 s ASN 25 Cb 0.21 1.53 0.68 0.00 -0.55 0.00 0.00 41.25 43.12 1bw5 s ASN 25 CO 0.31 -0.18 1.44 -0.81 -2.79 0.00 0.00 177.10 175.07 1bw5 n PRO 26 N 4.20 1.08 -3.25 0.43 -0.04 -1.20 -4.04 135.00 132.18 1bw5 n PRO 26 Ca 0.12 -0.11 -0.04 0.00 -0.04 0.00 0.00 63.50 63.43 1bw5 n PRO 26 Cb 0.53 -1.20 -0.03 0.00 -0.04 0.00 0.00 33.50 32.77 1bw5 n PRO 26 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1bw5 s ARG 27 N -1.97 0.67 0.77 0.54 3.52 -1.26 -5.11 118.95 116.11 1bw5 s ARG 27 Ca 0.18 -0.19 -0.05 0.00 -0.13 0.00 0.00 55.73 55.54 1bw5 s ARG 27 Cb 0.09 -0.12 0.13 0.00 -1.56 0.00 0.00 34.95 33.49 1bw5 s ARG 27 CO 0.14 -1.14 1.07 -1.25 -0.81 0.00 0.00 175.30 173.31 1bw5 s PRO 28 N 2.04 1.51 0.00 5.12 0.04 -1.26 -5.10 135.00 137.35 1bw5 s PRO 28 Ca 0.14 -0.82 0.00 0.00 0.04 0.00 0.00 61.00 60.36 1bw5 s PRO 28 Cb -0.09 -2.20 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1bw5 s PRO 28 CO -0.13 -1.64 0.00 -0.40 0.04 0.00 0.00 177.00 174.87 1bw5 n ASP 29 N -3.06 0.00 -0.03 6.66 5.68 -1.26 -4.98 116.55 119.56 1bw5 n ASP 29 Ca 0.14 -0.34 0.24 0.00 -0.50 0.00 0.00 54.79 54.33 1bw5 n ASP 29 Cb 0.60 0.00 0.71 0.00 -1.14 0.00 0.00 41.12 41.29 1bw5 n ASP 29 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bw5 h ALA 30 N 2.00 2.46 -3.00 2.12 0.00 -1.99 -0.32 119.26 120.53 1bw5 h ALA 30 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1bw5 h ALA 30 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1bw5 h ALA 30 CO 0.00 -0.92 0.00 -0.11 0.00 0.00 0.00 179.25 178.22 1bw5 n LEU 31 N -3.86 1.06 -0.31 0.00 -0.00 -1.26 -3.36 117.00 109.26 1bw5 n LEU 31 Ca 0.13 0.27 0.05 0.00 -0.00 0.00 0.00 56.01 56.46 1bw5 n LEU 31 Cb 0.83 0.00 0.25 0.00 -0.00 0.00 0.00 43.42 44.50 1bw5 n LEU 31 CO 0.31 0.00 1.24 0.24 -0.00 0.00 0.00 177.39 179.18 1bw5 h MET 32 N 0.00 0.96 -0.93 1.96 2.86 -1.94 -2.38 114.93 115.46 1bw5 h MET 32 Ca 0.00 -0.06 0.25 0.00 -2.06 0.00 0.00 59.70 57.84 1bw5 h MET 32 Cb 0.00 -0.22 -0.14 0.00 0.06 0.00 0.00 31.60 31.31 1bw5 h MET 32 CO 0.00 0.64 0.42 -0.22 1.06 0.00 0.00 176.91 178.81 1bw5 h LYS 33 N 0.99 0.34 0.97 1.72 1.63 -1.19 -0.38 116.57 120.65 1bw5 h LYS 33 Ca 0.42 -0.02 -0.05 0.00 -0.85 0.00 0.00 60.65 60.15 1bw5 h LYS 33 Cb 0.31 -0.08 0.01 0.00 -0.60 0.00 0.00 32.23 31.88 1bw5 h LYS 33 CO -0.18 0.23 -0.46 1.49 -3.45 0.00 0.00 179.45 177.07 1bw5 h GLU 34 N 0.35 -1.25 -0.59 1.90 4.81 -1.43 -2.96 114.58 115.42 1bw5 h GLU 34 Ca 0.61 0.09 0.03 0.00 -0.13 0.00 0.00 59.36 59.96 1bw5 h GLU 34 Cb 1.26 0.28 -0.03 0.00 0.63 0.00 0.00 28.75 30.89 1bw5 h GLU 34 CO -0.58 -0.83 0.39 0.37 -0.73 0.00 0.00 179.01 177.63 1bw5 h GLN 35 N -1.32 0.67 -1.01 1.92 5.75 -1.52 -2.19 115.11 117.40 1bw5 h GLN 35 Ca -0.13 -0.04 0.24 0.00 -0.15 0.00 0.00 58.65 58.57 1bw5 h GLN 35 Cb 1.00 -0.15 -0.11 0.00 1.07 0.00 0.00 27.48 29.28 1bw5 h GLN 35 CO 0.22 0.44 0.62 -0.07 -2.65 0.00 0.00 178.83 177.39 1bw5 h LEU 36 N 0.69 0.62 -0.04 -2.39 -0.00 -0.92 -0.38 115.31 112.89 1bw5 h LEU 36 Ca 0.23 0.11 0.03 0.00 -0.00 0.00 0.00 57.88 58.26 1bw5 h LEU 36 Cb 0.08 0.01 -0.06 0.00 -0.00 0.00 0.00 40.66 40.69 1bw5 h LEU 36 CO -0.06 0.13 -0.44 0.58 -0.00 0.00 0.00 178.44 178.65 1bw5 h VAL 37 N 0.55 0.13 -0.71 1.22 2.07 -1.35 -2.02 116.25 116.15 1bw5 h VAL 37 Ca 0.62 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 68.11 1bw5 h VAL 37 Cb 1.25 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1bw5 h VAL 37 CO -0.40 0.00 0.34 -0.08 0.02 0.00 0.00 177.57 177.45 1bw5 h GLU 38 N -0.56 1.01 -0.69 1.57 4.22 -1.24 0.99 114.58 119.88 1bw5 h GLU 38 Ca 0.05 -0.13 -0.03 0.00 0.08 0.00 0.00 59.36 59.32 1bw5 h GLU 38 Cb 0.66 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 29.69 1bw5 h GLU 38 CO -0.35 0.77 0.30 0.52 -2.18 0.00 0.00 179.01 178.07 1bw5 h MET 39 N 1.00 1.00 0.00 1.92 2.86 -0.68 -3.28 114.93 117.76 1bw5 h MET 39 Ca 0.25 -0.15 -0.33 0.00 -2.06 0.00 0.00 59.70 57.40 1bw5 h MET 39 Cb 0.10 -0.18 -0.06 0.00 0.06 0.00 0.00 31.60 31.52 1bw5 h MET 39 CO -0.03 0.80 -2.24 -2.37 1.06 0.00 0.00 176.91 174.13 1bw5 n THR 40 N -4.31 1.24 0.00 2.22 5.66 -0.85 -4.99 114.28 113.26 1bw5 n THR 40 Ca 0.06 -0.66 0.00 0.00 -3.05 0.00 0.00 64.05 60.40 1bw5 n THR 40 Cb 0.16 -0.79 0.00 0.00 -1.55 0.00 0.00 70.33 68.15 1bw5 n THR 40 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1bw5 n GLY 41 N 2.08 1.95 3.88 1.09 0.00 0.34 -5.04 105.19 109.50 1bw5 n GLY 41 Ca -0.33 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 1bw5 n GLY 41 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1bw5 s LEU 42 N 0.00 3.19 0.90 0.99 2.34 -1.25 -4.96 118.68 119.89 1bw5 s LEU 42 Ca 0.00 1.21 -0.12 0.00 0.06 0.00 0.00 54.13 55.28 1bw5 s LEU 42 Cb 0.00 -4.16 0.13 0.00 -0.56 0.00 0.00 46.19 41.61 1bw5 s LEU 42 CO 0.00 -0.98 1.09 -0.94 -1.06 0.00 0.00 176.35 174.47 1bw5 s SER 43 N -4.23 3.45 0.53 1.48 1.04 -1.26 -4.67 113.70 110.04 1bw5 s SER 43 Ca 0.55 1.38 0.31 0.00 0.48 0.00 0.00 55.95 58.68 1bw5 s SER 43 Cb -0.11 -2.06 1.17 0.00 0.10 0.00 0.00 66.02 65.12 1bw5 s SER 43 CO 0.51 -2.64 1.91 1.55 0.98 0.00 0.00 173.24 175.56 1bw5 h PRO 44 N -1.55 0.00 0.02 4.02 0.13 -1.96 -3.27 132.00 129.39 1bw5 h PRO 44 Ca -0.50 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1bw5 h PRO 44 Cb 1.29 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 1bw5 h PRO 44 CO 0.56 0.01 -0.48 -0.09 -0.23 0.00 0.00 178.00 177.77 1bw5 h ARG 45 N 0.00 -0.62 -0.47 0.86 9.65 -2.01 -0.64 114.38 121.15 1bw5 h ARG 45 Ca -0.00 0.04 0.03 0.00 -1.10 0.00 0.00 59.98 58.95 1bw5 h ARG 45 Cb 0.61 0.14 -0.03 0.00 -1.39 0.00 0.00 29.97 29.30 1bw5 h ARG 45 CO 0.00 -0.41 0.31 0.28 2.80 0.00 0.00 179.97 182.95 1bw5 h VAL 46 N -0.64 1.06 -0.39 0.20 2.07 -1.95 -2.69 116.25 113.92 1bw5 h VAL 46 Ca 0.03 -0.19 -0.06 0.00 0.82 0.00 0.00 66.70 67.30 1bw5 h VAL 46 Cb 0.70 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1bw5 h VAL 46 CO -0.33 0.10 0.02 0.40 0.02 0.00 0.00 177.57 177.78 1bw5 h ILE 47 N 0.55 1.25 0.20 4.57 2.04 -1.31 -2.58 117.51 122.23 1bw5 h ILE 47 Ca 0.19 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.10 1bw5 h ILE 47 Cb 0.07 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.23 1bw5 h ILE 47 CO -0.05 0.32 -0.44 -0.09 0.00 0.00 0.00 178.15 177.90 1bw5 h ARG 48 N 0.50 -0.67 -0.01 2.37 2.43 -0.82 -2.25 114.38 115.92 1bw5 h ARG 48 Ca 0.11 0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1bw5 h ARG 48 Cb 0.43 0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 30.13 1bw5 h ARG 48 CO 0.02 -0.45 0.01 -0.24 -1.51 0.00 0.00 179.97 177.80 1bw5 h VAL 49 N -0.69 0.90 0.49 0.20 3.04 -1.61 -2.94 116.25 115.64 1bw5 h VAL 49 Ca -0.02 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.65 1bw5 h VAL 49 Cb 0.66 0.99 -0.02 0.00 -2.01 0.00 0.00 31.29 30.92 1bw5 h VAL 49 CO -0.19 0.00 -0.45 -0.25 -1.01 0.00 0.00 177.57 175.68 1bw5 h TRP 50 N 0.00 -1.24 -0.98 3.17 7.01 -0.98 -2.11 115.95 120.82 1bw5 h TRP 50 Ca 0.01 0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.09 1bw5 h TRP 50 Cb 0.03 0.47 -0.07 0.00 -2.10 0.00 0.00 29.16 27.49 1bw5 h TRP 50 CO 0.00 -0.61 0.63 0.74 -2.79 0.00 0.00 178.44 176.42 1bw5 h PHE 51 N -0.92 1.15 0.11 2.65 0.04 -1.49 -2.76 116.94 115.72 1bw5 h PHE 51 Ca -0.06 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1bw5 h PHE 51 Cb 0.79 -0.37 -0.02 0.00 2.20 0.00 0.00 35.95 38.54 1bw5 h PHE 51 CO -0.21 0.56 -0.29 0.37 -0.60 0.00 0.00 178.31 178.14 1bw5 h GLN 52 N 1.09 -0.43 -0.34 1.51 5.75 -1.26 -2.98 115.11 118.46 1bw5 h GLN 52 Ca 0.44 0.03 0.07 0.00 -0.15 0.00 0.00 58.65 59.04 1bw5 h GLN 52 Cb 0.27 0.10 -0.07 0.00 1.07 0.00 0.00 27.48 28.85 1bw5 h GLN 52 CO -0.19 -0.29 -0.17 -0.91 -2.65 0.00 0.00 178.83 174.63 1bw5 h ASN 53 N -0.44 -0.56 -0.97 -0.69 2.35 -1.26 -2.67 115.58 111.33 1bw5 h ASN 53 Ca -0.01 0.13 0.17 0.00 -0.55 0.00 0.00 56.30 56.04 1bw5 h ASN 53 Cb 0.43 0.31 -0.17 0.00 0.05 0.00 0.00 38.32 38.94 1bw5 h ASN 53 CO -0.13 -0.20 -0.33 0.11 -1.65 0.00 0.00 177.43 175.23 1bw5 h LYS 54 N -0.11 -0.01 -0.35 0.81 1.79 -1.34 -0.12 116.57 117.24 1bw5 h LYS 54 Ca 0.17 0.00 0.05 0.00 -2.18 0.00 0.00 60.65 58.69 1bw5 h LYS 54 Cb 0.37 0.00 -0.08 0.00 -1.58 0.00 0.00 32.23 30.95 1bw5 h LYS 54 CO -0.41 -0.01 -0.55 -0.09 -1.08 0.00 0.00 179.45 177.32 1bw5 h ARG 55 N -0.01 -0.42 -0.24 3.15 1.12 -1.38 1.15 114.38 117.74 1bw5 h ARG 55 Ca 0.39 0.03 0.05 0.00 -1.11 0.00 0.00 59.98 59.33 1bw5 h ARG 55 Cb 0.64 0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 30.65 1bw5 h ARG 55 CO -0.98 -0.28 -0.04 0.00 -3.11 0.00 0.00 179.97 175.56 1bw5 n LYS 57 N -5.20 0.16 0.29 0.00 4.81 -0.31 -2.77 118.16 115.14 1bw5 n LYS 57 Ca -0.01 0.49 0.19 0.00 -0.87 0.00 0.00 58.31 58.11 1bw5 n LYS 57 Cb 0.14 -1.88 1.04 0.00 0.02 0.00 0.00 35.03 34.35 1bw5 n LYS 57 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 1bw5 h ASP 58 N 0.00 0.00 0.29 3.14 1.82 0.32 -1.52 116.42 120.47 1bw5 h ASP 58 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1bw5 h ASP 58 Cb 0.22 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.23 1bw5 h ASP 58 CO 0.00 0.00 0.00 0.50 -1.61 0.00 0.00 179.24 178.13 1bw5 h LYS 59 N 0.00 0.00 -6.24 0.28 3.64 -1.67 -3.43 116.57 109.16 1bw5 h LYS 59 Ca 0.00 0.00 -0.57 0.00 -1.27 0.00 0.00 60.65 58.81 1bw5 h LYS 59 Cb 0.04 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.81 1bw5 h LYS 59 CO 0.00 0.00 -0.05 0.15 -2.27 0.00 0.00 179.45 177.28 1bw5 s LYS 60 N -3.60 4.16 -0.10 1.90 1.02 -0.57 -4.74 119.74 117.81 1bw5 s LYS 60 Ca -0.01 0.70 -0.07 0.00 0.02 0.00 0.00 55.97 56.61 1bw5 s LYS 60 Cb 0.08 -3.20 0.03 0.00 -0.52 0.00 0.00 37.83 34.22 1bw5 s LYS 60 CO 0.32 0.62 0.14 -2.13 -0.92 0.00 0.00 175.35 173.38 1bw5 n ARG 61 N 1.61 -3.19 -0.39 1.68 0.63 -1.26 -4.89 116.66 110.85 1bw5 n ARG 61 Ca -0.10 2.50 0.11 0.00 -0.92 0.00 0.00 57.85 59.44 1bw5 n ARG 61 Cb 0.51 -3.22 0.32 0.00 0.45 0.00 0.00 32.46 30.52 1bw5 n ARG 61 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 1bw5 n SER 62 N 2.08 3.96 -2.30 6.15 7.64 -1.26 -4.51 113.62 125.37 1bw5 n SER 62 Ca -0.23 -2.05 -0.23 0.00 1.01 0.00 0.00 58.87 57.37 1bw5 n SER 62 Cb 0.36 -0.49 -0.04 0.00 -1.01 0.00 0.00 64.21 63.02 1bw5 n SER 62 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1bw5 n ILE 63 N 1.57 3.16 -4.11 0.44 2.08 -1.26 -4.91 119.36 116.32 1bw5 n ILE 63 Ca 0.24 -2.53 -0.35 0.00 0.56 0.00 0.00 62.75 60.67 1bw5 n ILE 63 Cb 0.64 -1.56 -0.09 0.00 -0.75 0.00 0.00 39.64 37.88 1bw5 n ILE 63 CO 0.00 0.00 0.00 -0.32 0.56 0.00 0.00 176.55 176.79 1bw5 s MET 64 N -1.51 3.48 -0.28 0.38 1.75 -1.26 -5.08 119.30 116.78 1bw5 s MET 64 Ca 0.53 -0.31 -0.28 0.00 -1.25 0.00 0.00 55.69 54.38 1bw5 s MET 64 Cb 0.34 -3.05 0.19 0.00 2.84 0.00 0.00 34.83 35.14 1bw5 s MET 64 CO -0.15 0.56 1.35 1.41 -0.65 0.00 0.00 175.02 177.54 1bw5 s MET 65 N -0.45 0.11 0.00 4.11 0.00 -1.26 -5.26 119.30 116.55 1bw5 s MET 65 Ca 0.10 0.06 0.01 0.00 0.00 0.00 0.00 55.69 55.85 1bw5 s MET 65 Cb -0.12 0.05 0.04 0.00 0.00 0.00 0.00 34.83 34.80 1bw5 s MET 65 CO 0.02 -0.03 0.54 1.17 0.00 0.00 0.00 175.02 176.72