#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 4.48 -0.20 2.12 2.20 -1.26 -5.05 119.74 122.03 1bw5 s LYS 2 Ca 0.00 1.04 -0.03 0.00 -0.36 0.00 0.00 55.97 56.61 1bw5 s LYS 2 Cb 0.00 -3.41 -0.01 0.00 -1.51 0.00 0.00 37.83 32.89 1bw5 s LYS 2 CO 0.00 0.14 -0.05 0.95 -0.36 0.00 0.00 175.35 176.04 1bw5 s THR 3 N 0.46 3.48 0.00 3.43 -4.23 -1.26 -4.95 115.64 112.57 1bw5 s THR 3 Ca 0.40 -0.47 0.05 0.00 -1.18 0.00 0.00 61.69 60.48 1bw5 s THR 3 Cb -0.19 -2.56 0.08 0.00 1.34 0.00 0.00 72.50 71.17 1bw5 s THR 3 CO 0.22 0.45 0.91 0.41 -0.54 0.00 0.00 174.62 176.06 1bw5 n THR 4 N 4.39 0.00 -1.87 3.99 -1.04 -1.26 -5.13 114.28 113.36 1bw5 n THR 4 Ca -0.18 -0.18 -0.32 0.00 -2.04 0.00 0.00 64.05 61.33 1bw5 n THR 4 Cb 0.51 0.47 0.02 0.00 -1.82 0.00 0.00 70.33 69.52 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 0.00 3.22 -0.59 -2.82 0.52 -1.26 -4.89 118.95 113.13 1bw5 s ARG 5 Ca 0.06 1.07 -0.27 0.00 -0.52 0.00 0.00 55.73 56.07 1bw5 s ARG 5 Cb 0.07 -2.02 -0.10 0.00 0.52 0.00 0.00 34.95 33.42 1bw5 s ARG 5 CO -0.03 -0.88 2.47 1.55 0.02 0.00 0.00 175.30 178.43 1bw5 n VAL 6 N -2.47 -0.07 -1.72 3.52 3.14 -1.26 -4.76 118.33 114.71 1bw5 n VAL 6 Ca 0.08 -0.66 0.06 0.00 -2.96 0.00 0.00 64.34 60.86 1bw5 n VAL 6 Cb 0.53 -2.38 0.18 0.00 -1.06 0.00 0.00 33.84 31.11 1bw5 n VAL 6 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 1bw5 n ARG 7 N 8.91 1.33 -1.22 1.45 1.85 -1.26 -5.07 116.66 122.64 1bw5 n ARG 7 Ca 0.43 -3.07 -0.29 0.00 -1.00 0.00 0.00 57.85 53.92 1bw5 n ARG 7 Cb 0.45 -1.36 0.15 0.00 -1.05 0.00 0.00 32.46 30.65 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1bw5 s THR 8 N -2.71 2.47 -0.06 8.89 -4.23 -1.26 -4.99 115.64 113.74 1bw5 s THR 8 Ca 0.37 0.15 0.10 0.00 -1.18 0.00 0.00 61.69 61.13 1bw5 s THR 8 Cb 0.37 -2.66 0.16 0.00 1.34 0.00 0.00 72.50 71.71 1bw5 s THR 8 CO -0.08 -0.20 1.08 1.33 -0.54 0.00 0.00 174.62 176.21 1bw5 n VAL 9 N -3.95 0.87 -2.96 2.29 0.24 -1.26 -5.02 118.33 108.53 1bw5 n VAL 9 Ca 0.06 -1.14 -0.43 0.00 -2.04 0.00 0.00 64.34 60.80 1bw5 n VAL 9 Cb 0.56 0.20 -0.05 0.00 -1.47 0.00 0.00 33.84 33.08 1bw5 n VAL 9 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1bw5 s LEU 10 N -1.31 4.22 0.51 1.34 2.01 -1.26 -4.99 118.68 119.19 1bw5 s LEU 10 Ca 0.17 0.02 0.09 0.00 0.01 0.00 0.00 54.13 54.42 1bw5 s LEU 10 Cb 0.16 -2.98 0.06 0.00 0.01 0.00 0.00 46.19 43.43 1bw5 s LEU 10 CO -0.00 -0.86 0.70 0.20 1.01 0.00 0.00 176.35 177.40 1bw5 s ASN 11 N 2.05 5.33 0.60 2.29 0.01 -1.26 -4.86 114.94 119.11 1bw5 s ASN 11 Ca 0.30 -0.67 0.28 0.00 -0.71 0.00 0.00 52.86 52.06 1bw5 s ASN 11 Cb -0.12 -0.10 1.40 0.00 0.41 0.00 0.00 41.25 42.84 1bw5 s ASN 11 CO 0.21 -1.10 1.81 -0.08 -1.51 0.00 0.00 177.10 176.43 1bw5 h GLU 12 N 0.37 0.00 0.13 -0.60 4.81 -1.99 -0.69 114.58 116.61 1bw5 h GLU 12 Ca -0.34 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 1bw5 h GLU 12 Cb 1.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.67 1bw5 h GLU 12 CO 0.43 0.00 -0.06 -0.22 -0.73 0.00 0.00 179.01 178.42 1bw5 h LYS 13 N 0.00 -0.17 -0.46 1.92 3.64 -2.00 -3.17 116.57 116.32 1bw5 h LYS 13 Ca 0.22 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.67 1bw5 h LYS 13 Cb 1.34 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.18 1bw5 h LYS 13 CO -0.00 -0.12 0.31 1.96 -2.27 0.00 0.00 179.45 179.33 1bw5 h GLN 14 N -0.36 0.39 -0.28 1.90 4.20 -1.82 -2.62 115.11 116.52 1bw5 h GLN 14 Ca -0.02 -0.02 0.05 0.00 0.06 0.00 0.00 58.65 58.72 1bw5 h GLN 14 Cb 0.14 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.78 1bw5 h GLN 14 CO 0.03 0.26 -0.05 -0.07 -0.67 0.00 0.00 178.83 178.32 1bw5 h LEU 15 N 0.40 -0.22 -0.88 1.46 -0.00 -1.23 -2.56 115.31 112.28 1bw5 h LEU 15 Ca 0.20 0.08 0.23 0.00 -0.00 0.00 0.00 57.88 58.39 1bw5 h LEU 15 Cb 0.29 0.16 -0.13 0.00 -0.00 0.00 0.00 40.66 40.97 1bw5 h LEU 15 CO -0.05 -0.07 0.30 -0.74 -0.00 0.00 0.00 178.44 177.88 1bw5 h HIS 16 N 0.02 0.48 0.12 1.13 2.76 -1.43 -2.30 115.15 115.93 1bw5 h HIS 16 Ca 0.13 0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1bw5 h HIS 16 Cb 0.20 -0.07 -0.01 0.00 1.55 0.00 0.00 27.41 29.08 1bw5 h HIS 16 CO -0.26 -0.15 -0.15 1.15 -1.30 0.00 0.00 177.93 177.22 1bw5 h THR 17 N 0.28 0.00 -1.02 6.26 2.02 -1.59 -2.16 112.91 116.70 1bw5 h THR 17 Ca 0.55 0.00 0.27 0.00 0.77 0.00 0.00 66.41 68.01 1bw5 h THR 17 Cb 1.10 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 67.44 1bw5 h THR 17 CO -0.60 0.00 0.70 -0.07 0.37 0.00 0.00 175.52 175.92 1bw5 h LEU 18 N -0.29 0.23 -0.73 2.58 3.38 -1.57 -1.45 115.31 117.47 1bw5 h LEU 18 Ca -0.02 0.04 0.16 0.00 0.09 0.00 0.00 57.88 58.15 1bw5 h LEU 18 Cb 0.26 -0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.89 1bw5 h LEU 18 CO -0.03 0.06 0.17 -0.09 0.09 0.00 0.00 178.44 178.63 1bw5 h ARG 19 N 0.21 0.25 -0.48 1.13 2.43 -0.82 -0.38 114.38 116.72 1bw5 h ARG 19 Ca 0.53 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.57 1bw5 h ARG 19 Cb 1.68 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.16 1bw5 h ARG 19 CO -0.14 0.17 -0.16 1.79 -1.51 0.00 0.00 179.97 180.11 1bw5 h THR 20 N 0.26 1.27 0.11 0.20 1.35 -1.25 -2.47 112.91 112.38 1bw5 h THR 20 Ca 0.41 -1.31 0.01 0.00 -0.55 0.00 0.00 66.41 64.97 1bw5 h THR 20 Cb 0.71 1.11 -0.02 0.00 -1.73 0.00 0.00 68.15 68.22 1bw5 h THR 20 CO -0.52 0.45 -0.14 0.00 -0.25 0.00 0.00 175.52 175.06 1bw5 h TYR 22 N -0.30 -0.04 -0.07 0.00 5.03 -1.12 0.19 116.97 120.66 1bw5 h TYR 22 Ca 0.01 0.03 0.02 0.00 2.58 0.00 0.00 58.73 61.37 1bw5 h TYR 22 Cb 0.30 0.07 -0.00 0.00 1.55 0.00 0.00 36.73 38.65 1bw5 h TYR 22 CO -0.14 -0.08 0.19 0.00 -1.32 0.00 0.00 178.16 176.81 1bw5 h ALA 23 N 1.31 1.42 0.00 1.82 0.00 -1.16 -1.22 119.26 121.43 1bw5 h ALA 23 Ca 0.17 -0.00 -0.26 0.00 0.00 0.00 0.00 54.91 54.82 1bw5 h ALA 23 Cb 0.24 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 1bw5 h ALA 23 CO -0.29 -0.23 -2.15 0.00 0.00 0.00 0.00 179.25 176.58 1bw5 n ALA 24 N -2.11 1.84 -3.21 0.00 0.00 -0.06 -4.89 120.51 112.07 1bw5 n ALA 24 Ca -0.01 -1.03 -0.01 0.00 0.00 0.00 0.00 53.44 52.39 1bw5 n ALA 24 Cb 0.27 -0.44 -0.03 0.00 0.00 0.00 0.00 19.45 19.26 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 -5.35 -0.84 -0.01 0.00 2.47 0.48 -5.00 114.94 106.70 1bw5 s ASN 25 Ca -0.08 0.21 0.00 0.00 0.42 0.00 0.00 52.86 53.41 1bw5 s ASN 25 Cb 0.08 1.72 0.02 0.00 -1.45 0.00 0.00 41.25 41.63 1bw5 s ASN 25 CO 0.85 -0.30 0.57 -0.81 -3.72 0.00 0.00 177.10 173.69 1bw5 n PRO 26 N 5.40 1.10 -2.82 0.43 -0.04 -1.19 -4.30 135.00 133.58 1bw5 n PRO 26 Ca 0.01 -0.09 -0.09 0.00 -0.04 0.00 0.00 63.50 63.30 1bw5 n PRO 26 Cb 0.52 -1.48 0.02 0.00 -0.04 0.00 0.00 33.50 32.52 1bw5 n PRO 26 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1bw5 n ARG 27 N 0.05 0.68 -2.13 0.54 1.85 -1.26 -5.14 116.66 111.25 1bw5 n ARG 27 Ca 0.01 -2.01 -0.27 0.00 -1.00 0.00 0.00 57.85 54.58 1bw5 n ARG 27 Cb 0.30 -1.46 0.12 0.00 -1.05 0.00 0.00 32.46 30.37 1bw5 n ARG 27 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1bw5 s PRO 28 N 0.56 1.59 0.00 2.89 0.04 -1.26 -5.10 135.00 133.72 1bw5 s PRO 28 Ca 0.32 -0.39 0.00 0.00 0.04 0.00 0.00 61.00 60.97 1bw5 s PRO 28 Cb 0.15 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1bw5 s PRO 28 CO -0.18 -1.70 0.00 -0.25 0.04 0.00 0.00 177.00 174.92 1bw5 n ASP 29 N -3.23 0.00 0.12 6.66 8.00 -1.26 -5.00 116.55 121.84 1bw5 n ASP 29 Ca 0.11 0.00 0.20 0.00 0.71 0.00 0.00 54.79 55.81 1bw5 n ASP 29 Cb 0.60 0.00 0.73 0.00 -0.02 0.00 0.00 41.12 42.43 1bw5 n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bw5 h ALA 30 N 2.00 2.03 0.68 2.24 0.00 -1.99 -1.50 119.26 122.73 1bw5 h ALA 30 Ca 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1bw5 h ALA 30 Cb 0.00 0.03 0.01 0.00 0.00 0.00 0.00 17.79 17.82 1bw5 h ALA 30 CO 0.00 -0.67 -0.33 1.25 0.00 0.00 0.00 179.25 179.50 1bw5 h LEU 31 N 0.00 -0.78 -1.36 0.00 6.46 -2.01 -3.24 115.31 114.38 1bw5 h LEU 31 Ca 0.18 0.03 -0.06 0.00 -0.12 0.00 0.00 57.88 57.90 1bw5 h LEU 31 Cb 1.13 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 41.25 1bw5 h LEU 31 CO -0.00 -0.40 -0.29 0.24 -0.62 0.00 0.00 178.44 177.37 1bw5 h MET 32 N -1.23 0.00 -1.12 1.25 2.86 -1.83 -3.15 114.93 111.70 1bw5 h MET 32 Ca -0.09 0.00 0.32 0.00 -2.06 0.00 0.00 59.70 57.87 1bw5 h MET 32 Cb 0.70 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.32 1bw5 h MET 32 CO 0.15 0.29 0.80 1.57 1.06 0.00 0.00 176.91 180.79 1bw5 h LYS 33 N 0.00 0.03 0.00 1.72 5.09 -1.31 -1.48 116.57 120.62 1bw5 h LYS 33 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 1bw5 h LYS 33 Cb 0.63 -0.01 0.00 0.00 0.10 0.00 0.00 32.23 32.95 1bw5 h LYS 33 CO 0.04 0.02 0.00 0.39 -2.09 0.00 0.00 179.45 177.81 1bw5 n GLU 34 N -4.23 0.00 -0.34 0.07 1.02 -1.19 -2.75 120.64 113.22 1bw5 n GLU 34 Ca 0.24 0.21 0.05 0.00 -0.02 0.00 0.00 57.16 57.64 1bw5 n GLU 34 Cb 1.17 -1.11 0.20 0.00 -0.02 0.00 0.00 31.44 31.67 1bw5 n GLU 34 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 1bw5 h GLN 35 N 0.00 0.93 -0.95 3.49 4.20 -1.77 -1.76 115.11 119.25 1bw5 h GLN 35 Ca 0.00 -0.06 0.24 0.00 0.06 0.00 0.00 58.65 58.90 1bw5 h GLN 35 Cb 0.00 -0.21 -0.13 0.00 0.30 0.00 0.00 27.48 27.44 1bw5 h GLN 35 CO 0.00 0.61 0.48 -0.07 -0.67 0.00 0.00 178.83 179.18 1bw5 h LEU 36 N 0.95 0.46 -0.67 1.46 -0.00 -1.36 0.14 115.31 116.29 1bw5 h LEU 36 Ca 0.45 0.16 -0.01 0.00 -0.00 0.00 0.00 57.88 58.48 1bw5 h LEU 36 Cb 0.38 0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 41.12 1bw5 h LEU 36 CO -0.24 0.01 0.38 0.58 -0.00 0.00 0.00 178.44 179.17 1bw5 h VAL 37 N 0.44 1.21 -0.33 1.22 2.07 -1.12 -2.47 116.25 117.26 1bw5 h VAL 37 Ca 0.62 -0.50 -0.01 0.00 0.82 0.00 0.00 66.70 67.62 1bw5 h VAL 37 Cb 1.21 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 1bw5 h VAL 37 CO -0.53 0.22 0.14 -0.08 0.02 0.00 0.00 177.57 177.34 1bw5 h GLU 38 N 0.92 0.46 0.53 1.57 4.57 -0.78 0.42 114.58 122.26 1bw5 h GLU 38 Ca 0.24 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.34 1bw5 h GLU 38 Cb 0.02 -0.09 0.01 0.00 -0.16 0.00 0.00 28.75 28.52 1bw5 h GLU 38 CO -0.04 0.38 -0.25 0.52 -1.18 0.00 0.00 179.01 178.43 1bw5 h MET 39 N 0.46 -0.69 -0.00 1.92 2.86 -0.96 -3.30 114.93 115.22 1bw5 h MET 39 Ca 0.12 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.80 1bw5 h MET 39 Cb 0.08 0.16 0.00 0.00 0.06 0.00 0.00 31.60 31.90 1bw5 h MET 39 CO -0.01 -0.41 -0.81 -2.37 1.06 0.00 0.00 176.91 174.37 1bw5 n THR 40 N -5.35 0.00 -0.73 2.22 5.66 -1.21 -4.96 114.28 109.91 1bw5 n THR 40 Ca -0.12 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1bw5 n THR 40 Cb 0.32 0.96 0.00 0.00 -1.55 0.00 0.00 70.33 70.05 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 1.48 0.39 3.85 1.09 0.00 0.15 -4.98 105.19 107.16 1bw5 n GLY 41 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.80 1bw5 n GLY 41 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1bw5 n LEU 42 N 0.00 0.00 -4.76 0.99 -0.00 -1.26 -5.01 117.00 106.97 1bw5 n LEU 42 Ca 0.00 -1.67 -0.29 0.00 -0.00 0.00 0.00 56.01 54.05 1bw5 n LEU 42 Cb 0.03 -0.89 0.15 0.00 -0.00 0.00 0.00 43.42 42.71 1bw5 n LEU 42 CO 0.00 -1.29 0.70 -0.94 -0.00 0.00 0.00 177.39 175.87 1bw5 s SER 43 N -5.57 3.15 0.39 1.45 1.04 -1.26 -4.86 113.70 108.04 1bw5 s SER 43 Ca 0.72 0.94 0.21 0.00 0.48 0.00 0.00 55.95 58.30 1bw5 s SER 43 Cb -0.03 -1.47 0.42 0.00 0.10 0.00 0.00 66.02 65.04 1bw5 s SER 43 CO 0.50 -2.77 1.62 1.55 0.98 0.00 0.00 173.24 175.11 1bw5 h PRO 44 N -1.65 0.00 -0.00 4.02 0.13 -1.97 -3.33 132.00 129.20 1bw5 h PRO 44 Ca -0.51 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.66 1bw5 h PRO 44 Cb 1.33 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.41 1bw5 h PRO 44 CO 0.58 0.22 -0.28 -0.09 -0.23 0.00 0.00 178.00 178.21 1bw5 h ARG 45 N 0.00 -0.41 0.00 0.86 9.65 -2.01 -1.75 114.38 120.72 1bw5 h ARG 45 Ca -0.00 0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 58.87 1bw5 h ARG 45 Cb 1.06 0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.73 1bw5 h ARG 45 CO 0.03 -0.27 -0.16 0.28 2.80 0.00 0.00 179.97 182.65 1bw5 h VAL 46 N -0.42 1.11 0.39 0.20 2.07 -1.97 -2.88 116.25 114.74 1bw5 h VAL 46 Ca 0.06 -0.56 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1bw5 h VAL 46 Cb 0.51 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 1bw5 h VAL 46 CO -0.24 0.16 -0.23 0.40 0.02 0.00 0.00 177.57 177.68 1bw5 h ILE 47 N 0.00 0.52 0.24 4.57 1.08 -1.45 -1.90 117.51 120.57 1bw5 h ILE 47 Ca -0.00 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.47 1bw5 h ILE 47 Cb 0.29 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 34.55 1bw5 h ILE 47 CO 0.02 0.00 -0.18 -0.09 -0.69 0.00 0.00 178.15 177.21 1bw5 h ARG 48 N -0.59 -0.41 0.00 2.37 9.65 -1.32 -2.81 114.38 121.26 1bw5 h ARG 48 Ca -0.04 0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.86 1bw5 h ARG 48 Cb 0.48 0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.15 1bw5 h ARG 48 CO 0.05 -0.28 -0.01 -0.24 2.80 0.00 0.00 179.97 182.29 1bw5 h VAL 49 N -0.43 0.91 0.46 0.20 3.04 -1.48 -3.15 116.25 115.80 1bw5 h VAL 49 Ca -0.01 -0.04 -0.01 0.00 -1.01 0.00 0.00 66.70 65.62 1bw5 h VAL 49 Cb 0.38 1.02 -0.02 0.00 -2.01 0.00 0.00 31.29 30.66 1bw5 h VAL 49 CO -0.01 0.01 -0.50 -0.25 -1.01 0.00 0.00 177.57 175.80 1bw5 h TRP 50 N 0.00 -1.41 -0.79 3.17 7.01 -1.06 -2.54 115.95 120.33 1bw5 h TRP 50 Ca -0.00 0.01 0.16 0.00 2.11 0.00 0.00 58.89 61.17 1bw5 h TRP 50 Cb 0.02 0.55 -0.10 0.00 -2.10 0.00 0.00 29.16 27.53 1bw5 h TRP 50 CO 0.00 -0.66 0.33 0.74 -2.79 0.00 0.00 178.44 176.06 1bw5 h PHE 51 N -0.98 0.55 0.00 2.65 0.04 -1.65 -0.11 116.94 117.45 1bw5 h PHE 51 Ca -0.06 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.75 1bw5 h PHE 51 Cb 0.86 -0.12 0.00 0.00 2.20 0.00 0.00 35.95 38.88 1bw5 h PHE 51 CO -0.27 0.05 0.00 0.94 -0.60 0.00 0.00 178.31 178.43 1bw5 n GLN 52 N -5.00 0.00 -0.25 1.51 7.27 -0.99 -3.31 117.38 116.61 1bw5 n GLN 52 Ca 0.16 0.05 0.25 0.00 0.07 0.00 0.00 57.00 57.53 1bw5 n GLN 52 Cb 0.46 -0.91 0.62 0.00 2.41 0.00 0.00 30.24 32.81 1bw5 n GLN 52 CO 0.00 0.00 0.00 -2.95 0.07 0.00 0.00 177.06 174.18 1bw5 h ASN 53 N 0.00 0.22 -0.92 1.69 7.08 -1.50 -1.99 115.58 120.17 1bw5 h ASN 53 Ca 0.00 0.03 0.38 0.00 -3.08 0.00 0.00 56.30 53.63 1bw5 h ASN 53 Cb 0.00 -0.01 -0.17 0.00 -2.08 0.00 0.00 38.32 36.07 1bw5 h ASN 53 CO 0.00 0.07 0.46 1.17 -2.08 0.00 0.00 177.43 177.05 1bw5 n LYS 54 N -4.41 -0.06 -0.28 4.14 3.00 -0.06 0.12 118.16 120.61 1bw5 n LYS 54 Ca 0.21 1.28 0.06 0.00 -0.00 0.00 0.00 58.31 59.86 1bw5 n LYS 54 Cb 0.90 -2.27 0.21 0.00 0.00 0.00 0.00 35.03 33.87 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 0.57 -0.20 1.64 2.47 -1.46 -1.14 114.38 116.26 1bw5 h ARG 55 Ca 0.76 -0.03 0.04 0.00 -1.26 0.00 0.00 59.98 59.49 1bw5 h ARG 55 Cb 2.00 -0.13 -0.04 0.00 -1.65 0.00 0.00 29.97 30.15 1bw5 h ARG 55 CO -0.72 0.38 -0.05 0.00 0.56 0.00 0.00 179.97 180.14 1bw5 h LYS 57 N 0.00 0.85 -3.27 0.00 1.57 -1.44 -3.24 116.57 111.04 1bw5 h LYS 57 Ca 0.09 -0.21 -0.31 0.00 -1.87 0.00 0.00 60.65 58.35 1bw5 h LYS 57 Cb 0.14 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.35 1bw5 h LYS 57 CO -0.20 0.82 2.08 -0.25 -0.57 0.00 0.00 179.45 181.33 1bw5 n ASP 58 N -4.41 4.38 -4.59 0.86 8.00 -0.50 -4.88 116.55 115.41 1bw5 n ASP 58 Ca 0.02 -2.26 -0.42 0.00 0.71 0.00 0.00 54.79 52.84 1bw5 n ASP 58 Cb 0.24 -1.01 -0.03 0.00 -0.02 0.00 0.00 41.12 40.30 1bw5 n ASP 58 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1bw5 s LYS 59 N 3.19 3.17 0.63 -1.24 2.20 -1.23 -4.70 119.74 121.76 1bw5 s LYS 59 Ca 0.37 1.56 0.00 0.00 -0.36 0.00 0.00 55.97 57.55 1bw5 s LYS 59 Cb 0.11 -4.28 0.00 0.00 -1.51 0.00 0.00 37.83 32.15 1bw5 s LYS 59 CO -0.03 -2.06 0.00 1.63 -0.36 0.00 0.00 175.35 174.54 1bw5 n LYS 60 N 8.60 0.00 -2.83 4.03 5.02 -1.26 -4.73 118.16 126.99 1bw5 n LYS 60 Ca 0.26 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.36 1bw5 n LYS 60 Cb 0.47 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.48 1bw5 n LYS 60 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1bw5 n ARG 61 N 0.00 -3.06 -0.84 1.97 0.63 -1.26 -4.93 116.66 109.17 1bw5 n ARG 61 Ca 0.00 0.66 -0.29 0.00 -0.92 0.00 0.00 57.85 57.30 1bw5 n ARG 61 Cb 0.00 -5.35 0.23 0.00 0.45 0.00 0.00 32.46 27.79 1bw5 n ARG 61 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1bw5 s SER 62 N -2.37 1.14 0.00 6.15 1.04 -1.26 -4.92 113.70 113.47 1bw5 s SER 62 Ca 0.18 1.10 0.18 0.00 0.48 0.00 0.00 55.95 57.89 1bw5 s SER 62 Cb -0.09 -1.68 0.50 0.00 0.10 0.00 0.00 66.02 64.85 1bw5 s SER 62 CO 0.22 -4.05 1.42 -0.38 0.98 0.00 0.00 173.24 171.44 1bw5 n ILE 63 N -4.77 0.71 0.00 -1.02 5.41 -1.26 -4.98 119.36 113.45 1bw5 n ILE 63 Ca 0.07 -0.73 0.00 0.00 1.00 0.00 0.00 62.75 63.09 1bw5 n ILE 63 Cb 0.57 0.41 0.00 0.00 -0.71 0.00 0.00 39.64 39.91 1bw5 n ILE 63 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 1bw5 n MET 64 N 1.13 0.00 -1.85 0.38 2.81 -1.26 -4.51 117.12 113.82 1bw5 n MET 64 Ca 0.19 0.00 -0.29 0.00 -1.81 0.00 0.00 57.70 55.79 1bw5 n MET 64 Cb 0.47 0.00 0.10 0.00 -0.71 0.00 0.00 33.22 33.09 1bw5 n MET 64 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1bw5 s MET 65 N 0.00 1.76 0.00 0.03 0.00 -1.26 -5.30 119.30 114.54 1bw5 s MET 65 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 55.69 55.79 1bw5 s MET 65 Cb 0.00 -1.93 0.00 0.00 0.00 0.00 0.00 34.83 32.90 1bw5 s MET 65 CO 0.00 -1.73 0.36 0.36 0.00 0.00 0.00 175.02 174.00