#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 1.27 -0.61 2.12 3.01 -1.26 -4.98 119.74 119.30 1bw5 s LYS 2 Ca 0.00 -0.75 -0.27 0.00 -1.01 0.00 0.00 55.97 53.94 1bw5 s LYS 2 Cb 0.00 -2.11 0.01 0.00 -1.01 0.00 0.00 37.83 34.72 1bw5 s LYS 2 CO 0.00 -1.85 1.48 0.99 0.51 0.00 0.00 175.35 176.49 1bw5 s THR 3 N -3.47 3.68 0.25 2.17 2.01 -1.26 -4.66 115.64 114.36 1bw5 s THR 3 Ca 0.69 0.51 0.00 0.00 0.31 0.00 0.00 61.69 63.20 1bw5 s THR 3 Cb -0.05 -4.43 0.00 0.00 0.01 0.00 0.00 72.50 68.03 1bw5 s THR 3 CO 0.48 -1.25 0.00 0.41 -0.69 0.00 0.00 174.62 173.57 1bw5 n THR 4 N 6.83 -8.35 -1.54 -0.82 -1.04 -1.26 -4.98 114.28 103.12 1bw5 n THR 4 Ca 0.12 2.58 -0.30 0.00 -2.04 0.00 0.00 64.05 64.42 1bw5 n THR 4 Cb 0.50 -4.02 0.19 0.00 -1.82 0.00 0.00 70.33 65.17 1bw5 n THR 4 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1bw5 s ARG 5 N -1.74 0.21 -0.41 -2.82 0.52 -1.26 -4.78 118.95 108.67 1bw5 s ARG 5 Ca 0.00 -0.08 -0.24 0.00 -0.52 0.00 0.00 55.73 54.89 1bw5 s ARG 5 Cb 0.00 -1.77 -0.26 0.00 0.52 0.00 0.00 34.95 33.45 1bw5 s ARG 5 CO 0.00 -2.75 1.63 1.55 0.02 0.00 0.00 175.30 175.75 1bw5 n VAL 6 N -4.08 0.00 -2.81 3.52 3.14 -1.26 -4.41 118.33 112.43 1bw5 n VAL 6 Ca 0.12 -0.09 -0.11 0.00 -2.96 0.00 0.00 64.34 61.30 1bw5 n VAL 6 Cb 0.59 -1.63 0.04 0.00 -1.06 0.00 0.00 33.84 31.79 1bw5 n VAL 6 CO 0.00 0.00 0.00 -1.14 -6.46 0.00 0.00 176.83 169.23 1bw5 n ARG 7 N 7.30 1.09 -1.14 1.45 0.00 -1.26 -5.03 116.66 119.08 1bw5 n ARG 7 Ca 0.36 -2.78 -0.34 0.00 -0.00 0.00 0.00 57.85 55.10 1bw5 n ARG 7 Cb 0.43 -1.06 0.12 0.00 0.00 0.00 0.00 32.46 31.95 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.63 177.88 1bw5 n THR 8 N -0.04 2.19 -3.27 5.15 -2.24 -1.26 -5.01 114.28 109.80 1bw5 n THR 8 Ca 0.10 -0.22 -0.06 0.00 -2.27 0.00 0.00 64.05 61.60 1bw5 n THR 8 Cb 0.77 -1.21 -0.04 0.00 -2.10 0.00 0.00 70.33 67.76 1bw5 n THR 8 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1bw5 s VAL 9 N -2.08 -0.74 0.56 2.28 0.11 -1.26 -5.11 120.40 114.16 1bw5 s VAL 9 Ca 0.74 -0.37 -0.09 0.00 -2.93 0.00 0.00 61.98 59.33 1bw5 s VAL 9 Cb -0.30 -0.42 0.13 0.00 -1.53 0.00 0.00 36.38 34.27 1bw5 s VAL 9 CO 0.50 -0.23 0.73 0.18 -3.33 0.00 0.00 175.10 172.96 1bw5 n LEU 10 N 4.54 0.00 -5.00 2.54 4.77 -1.26 -5.08 117.00 117.52 1bw5 n LEU 10 Ca 0.09 -0.80 -0.18 0.00 -0.03 0.00 0.00 56.01 55.09 1bw5 n LEU 10 Cb 0.52 -0.57 0.01 0.00 -2.33 0.00 0.00 43.42 41.05 1bw5 n LEU 10 CO 0.03 -1.07 0.17 0.20 -1.33 0.00 0.00 177.39 175.38 1bw5 s ASN 11 N -3.67 5.68 0.52 -1.43 0.01 -1.26 -4.88 114.94 109.91 1bw5 s ASN 11 Ca 0.42 -0.28 0.27 0.00 -0.71 0.00 0.00 52.86 52.56 1bw5 s ASN 11 Cb -0.01 -0.85 1.40 0.00 0.41 0.00 0.00 41.25 42.20 1bw5 s ASN 11 CO 0.30 -0.74 1.93 -0.08 -1.51 0.00 0.00 177.10 176.99 1bw5 h GLU 12 N 0.60 0.05 0.13 -0.60 4.57 -1.98 -0.71 114.58 116.64 1bw5 h GLU 12 Ca -0.42 -0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 57.75 1bw5 h GLU 12 Cb 1.28 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1bw5 h GLU 12 CO 0.48 0.03 -0.06 -0.22 -1.18 0.00 0.00 179.01 178.06 1bw5 h LYS 13 N 0.05 -0.17 -0.85 1.92 3.64 -2.01 -2.49 116.57 116.65 1bw5 h LYS 13 Ca 0.36 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1bw5 h LYS 13 Cb 1.35 0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 33.17 1bw5 h LYS 13 CO -0.02 -0.12 0.55 1.96 -2.27 0.00 0.00 179.45 179.55 1bw5 h GLN 14 N -0.21 1.13 0.20 1.90 4.20 -1.90 -3.10 115.11 117.33 1bw5 h GLN 14 Ca -0.02 -0.08 0.01 0.00 0.06 0.00 0.00 58.65 58.63 1bw5 h GLN 14 Cb 0.14 -0.25 -0.04 0.00 0.30 0.00 0.00 27.48 27.63 1bw5 h GLN 14 CO 0.03 0.76 -0.42 1.25 -0.67 0.00 0.00 178.83 179.78 1bw5 h LEU 15 N 1.16 -1.22 -0.90 1.46 7.12 -1.17 -2.43 115.31 119.33 1bw5 h LEU 15 Ca 0.31 0.13 0.24 0.00 0.13 0.00 0.00 57.88 58.69 1bw5 h LEU 15 Cb -0.11 0.45 -0.14 0.00 -0.53 0.00 0.00 40.66 40.33 1bw5 h LEU 15 CO -0.06 -0.51 0.34 -0.74 -0.13 0.00 0.00 178.44 177.33 1bw5 h HIS 16 N -0.71 0.54 0.03 1.25 2.76 -1.37 -1.98 115.15 115.67 1bw5 h HIS 16 Ca 0.00 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1bw5 h HIS 16 Cb 0.70 -0.09 -0.00 0.00 1.55 0.00 0.00 27.41 29.57 1bw5 h HIS 16 CO -0.33 -0.15 -0.04 1.15 -1.30 0.00 0.00 177.93 177.26 1bw5 h THR 17 N 0.29 0.00 -0.96 6.26 2.02 -1.48 -2.35 112.91 116.70 1bw5 h THR 17 Ca 0.58 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.97 1bw5 h THR 17 Cb 1.16 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.50 1bw5 h THR 17 CO -0.60 0.00 0.62 -0.07 0.37 0.00 0.00 175.52 175.84 1bw5 h LEU 18 N -0.07 0.47 -1.78 2.58 3.38 -1.47 -0.05 115.31 118.36 1bw5 h LEU 18 Ca -0.00 0.06 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1bw5 h LEU 18 Cb 0.07 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.79 1bw5 h LEU 18 CO -0.02 0.16 0.42 0.03 0.09 0.00 0.00 178.44 179.13 1bw5 h ARG 19 N 0.45 0.00 -0.16 1.13 3.08 -0.80 -0.92 114.38 117.16 1bw5 h ARG 19 Ca 0.52 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.45 1bw5 h ARG 19 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1bw5 h ARG 19 CO -0.23 0.00 -0.34 1.79 -1.07 0.00 0.00 179.97 180.12 1bw5 h THR 20 N 0.00 1.35 0.87 2.04 1.35 -0.98 -3.08 112.91 114.46 1bw5 h THR 20 Ca 0.02 -1.59 -0.04 0.00 -0.55 0.00 0.00 66.41 64.25 1bw5 h THR 20 Cb 0.87 1.95 0.01 0.00 -1.73 0.00 0.00 68.15 69.25 1bw5 h THR 20 CO -0.00 0.48 -0.42 0.00 -0.25 0.00 0.00 175.52 175.33 1bw5 h TYR 22 N -1.31 -0.47 -0.24 0.00 3.20 -1.68 1.05 116.97 117.52 1bw5 h TYR 22 Ca -0.12 0.06 0.07 0.00 3.14 0.00 0.00 58.73 61.88 1bw5 h TYR 22 Cb 0.89 0.31 -0.01 0.00 1.54 0.00 0.00 36.73 39.46 1bw5 h TYR 22 CO 0.00 -0.31 0.57 0.00 -1.64 0.00 0.00 178.16 176.78 1bw5 h ALA 23 N 1.53 1.86 0.04 1.82 0.00 -1.54 -1.01 119.26 121.96 1bw5 h ALA 23 Ca 0.30 -0.01 -0.37 0.00 0.00 0.00 0.00 54.91 54.84 1bw5 h ALA 23 Cb 0.51 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1bw5 h ALA 23 CO -0.69 -0.70 -2.12 0.00 0.00 0.00 0.00 179.25 175.75 1bw5 n ALA 24 N -2.01 1.10 -3.66 0.00 0.00 0.35 -4.97 120.51 111.32 1bw5 n ALA 24 Ca 0.04 -0.83 -0.06 0.00 0.00 0.00 0.00 53.44 52.59 1bw5 n ALA 24 Cb 0.68 -0.31 -0.07 0.00 0.00 0.00 0.00 19.45 19.74 1bw5 n ALA 24 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1bw5 s ASN 25 N -6.95 -0.61 -0.09 0.00 -0.87 -0.23 -5.02 114.94 101.17 1bw5 s ASN 25 Ca -0.31 1.22 0.01 0.00 -1.57 0.00 0.00 52.86 52.22 1bw5 s ASN 25 Cb 0.09 1.70 0.15 0.00 -0.02 0.00 0.00 41.25 43.18 1bw5 s ASN 25 CO 0.63 -0.23 1.13 -0.81 -2.57 0.00 0.00 177.10 175.25 1bw5 n PRO 26 N 5.37 1.37 -3.13 -0.60 -0.04 -1.24 -4.19 135.00 132.53 1bw5 n PRO 26 Ca -0.10 -0.66 -0.14 0.00 -0.04 0.00 0.00 63.50 62.55 1bw5 n PRO 26 Cb 0.50 -1.32 -0.05 0.00 -0.04 0.00 0.00 33.50 32.58 1bw5 n PRO 26 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1bw5 s ARG 27 N -0.83 0.90 0.58 0.54 0.52 -1.26 -5.12 118.95 114.28 1bw5 s ARG 27 Ca 0.12 -1.28 -0.01 0.00 -0.52 0.00 0.00 55.73 54.04 1bw5 s ARG 27 Cb 0.10 -0.62 0.04 0.00 0.52 0.00 0.00 34.95 34.99 1bw5 s ARG 27 CO 0.03 -1.31 0.83 -1.25 0.02 0.00 0.00 175.30 173.62 1bw5 s PRO 28 N 0.82 2.53 0.00 3.54 0.04 -1.26 -5.08 135.00 135.59 1bw5 s PRO 28 Ca 0.27 -0.60 0.00 0.00 0.04 0.00 0.00 61.00 60.71 1bw5 s PRO 28 Cb -0.03 -2.41 0.00 0.00 0.04 0.00 0.00 34.50 32.10 1bw5 s PRO 28 CO -0.09 -0.80 0.00 -3.47 0.04 0.00 0.00 177.00 172.68 1bw5 n ASP 29 N -2.47 0.00 -0.51 6.66 -0.08 -1.26 -4.99 116.55 113.91 1bw5 n ASP 29 Ca 0.07 -0.06 0.43 0.00 -1.51 0.00 0.00 54.79 53.72 1bw5 n ASP 29 Cb 0.60 0.00 0.77 0.00 2.34 0.00 0.00 41.12 44.83 1bw5 n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bw5 h ALA 30 N 2.00 3.42 -3.00 -1.67 0.00 -1.99 0.27 119.26 118.30 1bw5 h ALA 30 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bw5 h ALA 30 Cb 0.00 0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1bw5 h ALA 30 CO 0.00 -1.88 0.00 -0.11 0.00 0.00 0.00 179.25 177.26 1bw5 n LEU 31 N -4.11 0.75 0.24 0.00 7.94 -1.26 -3.65 117.00 116.91 1bw5 n LEU 31 Ca 0.35 0.32 0.17 0.00 -1.11 0.00 0.00 56.01 55.74 1bw5 n LEU 31 Cb 1.60 0.00 0.88 0.00 0.53 0.00 0.00 43.42 46.43 1bw5 n LEU 31 CO 0.41 0.00 1.15 -0.03 -1.11 0.00 0.00 177.39 177.80 1bw5 h MET 32 N 0.00 0.00 -0.94 1.96 4.05 -1.88 -2.70 114.93 115.42 1bw5 h MET 32 Ca 0.00 0.00 0.25 0.00 -0.28 0.00 0.00 59.70 59.67 1bw5 h MET 32 Cb 0.00 0.00 -0.13 0.00 -0.80 0.00 0.00 31.60 30.67 1bw5 h MET 32 CO 0.00 0.00 0.45 0.87 0.23 0.00 0.00 176.91 178.46 1bw5 h LYS 33 N 0.00 0.39 0.20 0.39 1.57 -0.53 0.06 116.57 118.64 1bw5 h LYS 33 Ca 0.06 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1bw5 h LYS 33 Cb 0.35 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.58 1bw5 h LYS 33 CO -0.00 0.25 -0.09 1.49 -0.57 0.00 0.00 179.45 180.53 1bw5 h GLU 34 N 0.40 -0.25 0.00 3.15 4.81 -1.57 -3.12 114.58 117.99 1bw5 h GLU 34 Ca 0.61 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.85 1bw5 h GLU 34 Cb 1.23 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 30.67 1bw5 h GLU 34 CO -0.55 -0.17 -0.05 -0.56 -0.73 0.00 0.00 179.01 176.95 1bw5 h GLN 35 N -0.27 0.00 -1.01 1.92 3.07 -1.71 -2.63 115.11 114.48 1bw5 h GLN 35 Ca -0.03 0.00 0.24 0.00 0.09 0.00 0.00 58.65 58.96 1bw5 h GLN 35 Cb 0.20 0.00 -0.11 0.00 0.08 0.00 0.00 27.48 27.65 1bw5 h GLN 35 CO 0.04 0.05 0.62 -0.07 0.09 0.00 0.00 178.83 179.56 1bw5 h LEU 36 N 0.00 0.62 0.07 0.06 -0.00 -0.92 0.83 115.31 115.98 1bw5 h LEU 36 Ca -0.00 0.11 0.00 0.00 -0.00 0.00 0.00 57.88 57.99 1bw5 h LEU 36 Cb 0.11 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 40.78 1bw5 h LEU 36 CO 0.01 0.13 -0.07 0.58 -0.00 0.00 0.00 178.44 179.08 1bw5 h VAL 37 N 0.55 0.83 -0.94 1.22 2.07 -1.53 -2.54 116.25 115.91 1bw5 h VAL 37 Ca 0.61 0.00 0.16 0.00 0.82 0.00 0.00 66.70 68.29 1bw5 h VAL 37 Cb 1.26 0.83 -0.08 0.00 -1.52 0.00 0.00 31.29 31.78 1bw5 h VAL 37 CO -0.40 0.00 0.60 -0.33 0.02 0.00 0.00 177.57 177.46 1bw5 h GLU 38 N -0.17 0.72 0.29 1.57 5.08 -1.00 1.69 114.58 122.76 1bw5 h GLU 38 Ca 0.00 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1bw5 h GLU 38 Cb 0.16 -0.16 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 1bw5 h GLU 38 CO -0.02 0.48 -0.46 0.52 -1.00 0.00 0.00 179.01 178.52 1bw5 h MET 39 N 0.74 -0.76 -0.01 2.33 2.86 -1.05 -3.21 114.93 115.83 1bw5 h MET 39 Ca 0.49 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 58.18 1bw5 h MET 39 Cb 0.76 0.17 0.00 0.00 0.06 0.00 0.00 31.60 32.60 1bw5 h MET 39 CO -0.25 -0.51 -0.66 -2.37 1.06 0.00 0.00 176.91 174.18 1bw5 n THR 40 N -5.16 0.00 -0.96 2.22 5.66 -1.12 -4.95 114.28 109.97 1bw5 n THR 40 Ca -0.09 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 60.74 1bw5 n THR 40 Cb 0.39 1.13 0.00 0.00 -1.55 0.00 0.00 70.33 70.30 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 1.39 0.17 3.92 1.09 0.00 0.57 -4.97 105.19 107.37 1bw5 n GLY 41 Ca 0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.82 1bw5 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1bw5 s LEU 42 N 0.00 2.99 0.85 0.99 1.02 -1.24 -4.98 118.68 118.31 1bw5 s LEU 42 Ca 0.00 0.57 -0.11 0.00 0.02 0.00 0.00 54.13 54.61 1bw5 s LEU 42 Cb 0.00 -3.30 0.10 0.00 0.02 0.00 0.00 46.19 43.01 1bw5 s LEU 42 CO 0.00 -1.37 1.09 -0.44 0.02 0.00 0.00 176.35 175.65 1bw5 s SER 43 N -4.43 3.81 0.51 2.29 0.01 -1.26 -4.76 113.70 109.87 1bw5 s SER 43 Ca 0.58 1.62 0.30 0.00 1.31 0.00 0.00 55.95 59.75 1bw5 s SER 43 Cb -0.11 -2.30 1.29 0.00 0.21 0.00 0.00 66.02 65.11 1bw5 s SER 43 CO 0.45 -2.45 1.97 1.55 0.41 0.00 0.00 173.24 175.17 1bw5 h PRO 44 N -1.42 0.00 0.30 12.44 0.13 -1.97 -3.28 132.00 138.21 1bw5 h PRO 44 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1bw5 h PRO 44 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1bw5 h PRO 44 CO 0.53 0.10 -0.27 -0.09 -0.23 0.00 0.00 178.00 178.04 1bw5 h ARG 45 N 0.00 -0.54 -0.09 0.86 9.65 -2.02 -2.37 114.38 119.86 1bw5 h ARG 45 Ca -0.00 0.04 0.03 0.00 -1.10 0.00 0.00 59.98 58.94 1bw5 h ARG 45 Cb 0.54 0.12 -0.00 0.00 -1.39 0.00 0.00 29.97 29.24 1bw5 h ARG 45 CO 0.01 -0.36 0.12 0.28 2.80 0.00 0.00 179.97 182.83 1bw5 h VAL 46 N -0.56 0.40 -0.35 0.20 2.07 -1.96 -2.28 116.25 113.76 1bw5 h VAL 46 Ca -0.04 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.44 1bw5 h VAL 46 Cb 0.48 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1bw5 h VAL 46 CO -0.01 0.00 0.05 0.40 0.02 0.00 0.00 177.57 178.03 1bw5 h ILE 47 N 0.00 1.24 0.75 4.57 1.08 -1.49 -2.45 117.51 121.21 1bw5 h ILE 47 Ca 0.04 -0.86 -0.03 0.00 -0.39 0.00 0.00 64.86 63.62 1bw5 h ILE 47 Cb 0.29 1.12 0.00 0.00 -3.07 0.00 0.00 36.82 35.16 1bw5 h ILE 47 CO -0.00 0.29 -0.41 -0.09 -0.69 0.00 0.00 178.15 177.25 1bw5 h ARG 48 N 0.42 -1.03 0.00 2.37 2.43 -1.14 -3.01 114.38 114.42 1bw5 h ARG 48 Ca 0.11 0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1bw5 h ARG 48 Cb 0.37 0.23 -0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1bw5 h ARG 48 CO 0.01 -0.69 -0.07 -0.24 -1.51 0.00 0.00 179.97 177.47 1bw5 h VAL 49 N -1.07 0.93 0.67 0.20 3.04 -1.61 -3.00 116.25 115.40 1bw5 h VAL 49 Ca -0.10 -0.25 -0.03 0.00 -1.01 0.00 0.00 66.70 65.31 1bw5 h VAL 49 Cb 0.84 1.14 -0.01 0.00 -2.01 0.00 0.00 31.29 31.25 1bw5 h VAL 49 CO 0.13 0.07 -0.50 -0.25 -1.01 0.00 0.00 177.57 176.01 1bw5 h TRP 50 N 0.00 -1.37 -0.97 3.17 7.01 -1.29 -2.53 115.95 119.97 1bw5 h TRP 50 Ca -0.00 -0.00 0.10 0.00 2.11 0.00 0.00 58.89 61.09 1bw5 h TRP 50 Cb 0.14 0.51 -0.08 0.00 -2.10 0.00 0.00 29.16 27.63 1bw5 h TRP 50 CO 0.00 -0.71 0.61 0.74 -2.79 0.00 0.00 178.44 176.28 1bw5 h PHE 51 N -1.13 1.11 0.00 2.65 0.04 -1.58 -2.82 116.94 115.22 1bw5 h PHE 51 Ca -0.09 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1bw5 h PHE 51 Cb 0.93 -0.35 0.00 0.00 2.20 0.00 0.00 35.95 38.73 1bw5 h PHE 51 CO -0.18 0.49 0.00 0.94 -0.60 0.00 0.00 178.31 178.96 1bw5 n GLN 52 N -4.60 0.00 -0.36 1.51 7.27 -0.98 -2.58 117.38 117.63 1bw5 n GLN 52 Ca 0.17 0.29 0.29 0.00 0.07 0.00 0.00 57.00 57.82 1bw5 n GLN 52 Cb 0.28 -1.07 0.60 0.00 2.41 0.00 0.00 30.24 32.46 1bw5 n GLN 52 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 1bw5 h ASN 53 N 0.00 0.30 -0.89 1.69 2.35 -1.54 -2.22 115.58 115.27 1bw5 h ASN 53 Ca 0.00 0.08 0.30 0.00 -0.55 0.00 0.00 56.30 56.13 1bw5 h ASN 53 Cb 0.00 0.04 -0.16 0.00 0.05 0.00 0.00 38.32 38.24 1bw5 h ASN 53 CO 0.00 0.00 0.22 1.17 -1.65 0.00 0.00 177.43 177.17 1bw5 n LYS 54 N -4.54 -0.06 -0.30 0.81 0.00 -1.07 0.01 118.16 113.02 1bw5 n LYS 54 Ca 0.29 1.28 0.07 0.00 0.00 0.00 0.00 58.31 59.96 1bw5 n LYS 54 Cb 1.11 -2.15 0.18 0.00 0.00 0.00 0.00 35.03 34.18 1bw5 n LYS 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bw5 h ARG 55 N 0.00 0.05 0.75 1.64 3.08 -1.50 0.28 114.38 118.68 1bw5 h ARG 55 Ca 0.63 -0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.65 1bw5 h ARG 55 Cb 1.50 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.53 1bw5 h ARG 55 CO -0.77 0.03 -0.48 0.00 -1.07 0.00 0.00 179.97 177.69 1bw5 h LYS 57 N -1.16 0.67 0.00 0.00 1.57 -1.47 -2.23 116.57 113.94 1bw5 h LYS 57 Ca -0.10 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.54 1bw5 h LYS 57 Cb 0.93 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.14 1bw5 h LYS 57 CO 0.09 0.65 0.00 -3.47 -0.57 0.00 0.00 179.45 176.16 1bw5 n ASP 58 N -4.27 0.51 0.10 0.86 2.03 0.93 -2.19 116.55 114.51 1bw5 n ASP 58 Ca 0.02 0.69 0.09 0.00 0.52 0.00 0.00 54.79 56.12 1bw5 n ASP 58 Cb 0.24 -0.77 0.41 0.00 -0.72 0.00 0.00 41.12 40.28 1bw5 n ASP 58 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1bw5 n LYS 59 N -2.13 0.11 -0.11 -0.67 4.76 -0.84 -3.05 118.16 116.23 1bw5 n LYS 59 Ca 0.00 0.46 -0.25 0.00 -2.87 0.00 0.00 58.31 55.65 1bw5 n LYS 59 Cb 0.10 -1.77 -0.11 0.00 -1.84 0.00 0.00 35.03 31.40 1bw5 n LYS 59 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1bw5 n LYS 60 N -2.00 0.59 0.00 1.97 0.00 -0.93 -4.95 118.16 112.85 1bw5 n LYS 60 Ca 0.01 0.40 0.00 0.00 0.00 0.00 0.00 58.31 58.73 1bw5 n LYS 60 Cb 0.13 -1.63 0.00 0.00 0.00 0.00 0.00 35.03 33.53 1bw5 n LYS 60 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1bw5 n ARG 61 N -4.22 0.00 -3.39 1.64 5.12 -1.17 -4.75 116.66 109.88 1bw5 n ARG 61 Ca -0.42 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.49 1bw5 n ARG 61 Cb 0.81 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 32.12 1bw5 n ARG 61 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 1bw5 n SER 62 N 5.32 -1.21 -4.71 0.55 3.41 -1.26 -5.13 113.62 110.58 1bw5 n SER 62 Ca 0.00 -1.53 -0.38 0.00 -0.26 0.00 0.00 58.87 56.69 1bw5 n SER 62 Cb 0.00 1.94 -0.06 0.00 -0.26 0.00 0.00 64.21 65.83 1bw5 n SER 62 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1bw5 s ILE 63 N -2.13 5.15 -0.25 -1.33 1.01 -1.26 -4.96 121.20 117.43 1bw5 s ILE 63 Ca 0.20 1.05 0.19 0.00 0.00 0.00 0.00 60.65 62.09 1bw5 s ILE 63 Cb -0.02 -3.86 0.49 0.00 0.01 0.00 0.00 42.46 39.08 1bw5 s ILE 63 CO 0.03 0.29 1.13 1.15 0.00 0.00 0.00 174.94 177.54 1bw5 n MET 64 N 3.87 2.09 -2.19 2.79 0.00 -1.26 -5.08 117.12 117.34 1bw5 n MET 64 Ca -0.06 -3.58 0.00 0.00 0.00 0.00 0.00 57.70 54.06 1bw5 n MET 64 Cb 0.51 -1.68 0.00 0.00 0.00 0.00 0.00 33.22 32.05 1bw5 n MET 64 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 1bw5 n MET 65 N -0.58 -5.16 0.00 3.17 2.81 -1.26 -5.35 117.12 110.74 1bw5 n MET 65 Ca 0.16 3.68 0.00 0.00 -1.81 0.00 0.00 57.70 59.73 1bw5 n MET 65 Cb 0.86 -4.26 0.00 0.00 -0.71 0.00 0.00 33.22 29.11 1bw5 n MET 65 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65