#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 3.66 0.04 0.03 2.47 -1.26 -4.80 119.74 119.88 1bw5 s LYS 2 Ca 0.00 0.09 0.00 0.00 -1.56 0.00 0.00 55.97 54.50 1bw5 s LYS 2 Cb 0.00 -2.61 0.00 0.00 -1.46 0.00 0.00 37.83 33.76 1bw5 s LYS 2 CO 0.00 0.18 0.00 0.25 0.16 0.00 0.00 175.35 175.94 1bw5 n THR 3 N -0.96 0.00 -2.18 3.43 -2.24 -1.26 -4.44 114.28 106.63 1bw5 n THR 3 Ca -0.01 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.41 1bw5 n THR 3 Cb 0.54 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.77 1bw5 n THR 3 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1bw5 s THR 4 N 0.00 2.96 0.58 4.28 2.01 -1.26 -5.00 115.64 119.21 1bw5 s THR 4 Ca 0.00 0.66 -0.15 0.00 0.31 0.00 0.00 61.69 62.51 1bw5 s THR 4 Cb 0.00 -3.31 -0.05 0.00 0.01 0.00 0.00 72.50 69.16 1bw5 s THR 4 CO 0.00 -0.07 1.03 -0.13 -0.69 0.00 0.00 174.62 174.76 1bw5 s ARG 5 N -2.99 3.55 0.55 4.92 0.52 -1.26 -2.94 118.95 121.30 1bw5 s ARG 5 Ca 0.69 1.02 -0.19 0.00 -0.52 0.00 0.00 55.73 56.73 1bw5 s ARG 5 Cb -0.28 -2.07 -0.06 0.00 0.52 0.00 0.00 34.95 33.06 1bw5 s ARG 5 CO 0.33 -0.61 1.12 0.54 0.02 0.00 0.00 175.30 176.70 1bw5 s VAL 6 N -2.68 3.22 -0.16 3.52 0.11 -1.26 -4.44 120.40 118.72 1bw5 s VAL 6 Ca 0.60 0.75 0.01 0.00 -2.93 0.00 0.00 61.98 60.41 1bw5 s VAL 6 Cb -0.13 -3.29 0.03 0.00 -1.53 0.00 0.00 36.38 31.46 1bw5 s VAL 6 CO 0.39 -0.18 0.80 -1.14 -3.33 0.00 0.00 175.10 171.64 1bw5 n ARG 7 N -1.34 0.10 -0.69 1.54 0.63 -1.26 -4.93 116.66 110.70 1bw5 n ARG 7 Ca 0.11 -0.34 -0.29 0.00 -0.92 0.00 0.00 57.85 56.41 1bw5 n ARG 7 Cb 0.51 0.02 0.22 0.00 0.45 0.00 0.00 32.46 33.66 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1bw5 s THR 8 N 0.01 2.09 -0.07 5.15 2.01 -1.26 -4.99 115.64 118.59 1bw5 s THR 8 Ca 0.01 0.03 0.20 0.00 0.31 0.00 0.00 61.69 62.24 1bw5 s THR 8 Cb 0.03 -2.16 0.36 0.00 0.01 0.00 0.00 72.50 70.74 1bw5 s THR 8 CO -0.01 -0.04 1.15 1.33 -0.69 0.00 0.00 174.62 176.36 1bw5 n VAL 9 N -4.65 0.23 -2.54 3.82 0.24 -1.26 -5.09 118.33 109.08 1bw5 n VAL 9 Ca 0.05 -1.16 -0.43 0.00 -2.04 0.00 0.00 64.34 60.77 1bw5 n VAL 9 Cb 0.54 0.96 -0.02 0.00 -1.47 0.00 0.00 33.84 33.85 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 -0.94 4.21 0.32 1.34 2.01 -1.26 -5.03 118.68 119.32 1bw5 s LEU 10 Ca 0.25 1.63 0.05 0.00 0.01 0.00 0.00 54.13 56.06 1bw5 s LEU 10 Cb 0.31 -3.55 -0.02 0.00 0.01 0.00 0.00 46.19 42.94 1bw5 s LEU 10 CO -0.11 -0.62 0.47 0.20 1.01 0.00 0.00 176.35 177.30 1bw5 s ASN 11 N 1.46 6.10 0.61 2.29 0.02 -1.26 -4.90 114.94 119.27 1bw5 s ASN 11 Ca 0.51 0.02 0.28 0.00 -1.02 0.00 0.00 52.86 52.65 1bw5 s ASN 11 Cb -0.20 -1.56 1.39 0.00 0.02 0.00 0.00 41.25 40.90 1bw5 s ASN 11 CO 0.16 -0.33 1.80 -0.08 0.02 0.00 0.00 177.10 178.67 1bw5 h GLU 12 N 0.91 0.00 0.50 -0.60 4.81 -1.99 -0.77 114.58 117.44 1bw5 h GLU 12 Ca -0.48 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.72 1bw5 h GLU 12 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.63 1bw5 h GLU 12 CO 0.57 0.00 -0.24 0.87 -0.73 0.00 0.00 179.01 179.48 1bw5 h LYS 13 N 0.00 -0.65 -0.41 1.92 1.79 -2.01 -3.16 116.57 114.05 1bw5 h LYS 13 Ca 0.19 0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.65 1bw5 h LYS 13 Cb 1.30 0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 32.07 1bw5 h LYS 13 CO -0.00 -0.43 0.02 1.96 -1.08 0.00 0.00 179.45 179.91 1bw5 h GLN 14 N -1.08 0.64 0.35 3.15 4.20 -1.79 -3.22 115.11 117.37 1bw5 h GLN 14 Ca -0.07 -0.15 -0.00 0.00 0.06 0.00 0.00 58.65 58.49 1bw5 h GLN 14 Cb 0.51 -0.09 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1bw5 h GLN 14 CO 0.11 0.65 -0.50 1.25 -0.67 0.00 0.00 178.83 179.67 1bw5 h LEU 15 N 0.61 -1.43 -1.08 1.46 7.12 -1.24 -2.30 115.31 118.44 1bw5 h LEU 15 Ca 0.13 0.13 0.22 0.00 0.13 0.00 0.00 57.88 58.49 1bw5 h LEU 15 Cb 0.36 0.50 -0.11 0.00 -0.53 0.00 0.00 40.66 40.88 1bw5 h LEU 15 CO 0.01 -0.62 0.61 0.45 -0.13 0.00 0.00 178.44 178.77 1bw5 h HIS 16 N -0.89 0.96 0.06 1.25 3.86 -1.56 -2.54 115.15 116.29 1bw5 h HIS 16 Ca -0.04 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 1bw5 h HIS 16 Cb 0.82 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 29.00 1bw5 h HIS 16 CO -0.33 0.14 -0.07 1.15 0.86 0.00 0.00 177.93 179.69 1bw5 h THR 17 N 0.62 0.00 -0.96 2.45 2.02 -1.45 -2.58 112.91 113.02 1bw5 h THR 17 Ca 0.60 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.98 1bw5 h THR 17 Cb 1.13 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.45 1bw5 h THR 17 CO -0.39 0.00 0.61 -0.07 0.37 0.00 0.00 175.52 176.04 1bw5 h LEU 18 N -0.13 0.58 -1.34 2.58 3.38 -1.48 -0.22 115.31 118.67 1bw5 h LEU 18 Ca -0.01 0.06 0.25 0.00 0.09 0.00 0.00 57.88 58.28 1bw5 h LEU 18 Cb 0.12 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.73 1bw5 h LEU 18 CO -0.01 0.22 0.66 0.03 0.09 0.00 0.00 178.44 179.43 1bw5 h ARG 19 N 0.58 0.41 -0.44 1.13 3.08 -1.05 0.13 114.38 118.21 1bw5 h ARG 19 Ca 0.52 -0.02 -0.13 0.00 0.07 0.00 0.00 59.98 60.42 1bw5 h ARG 19 Cb 1.05 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 1bw5 h ARG 19 CO -0.26 0.27 -0.22 1.15 -1.07 0.00 0.00 179.97 179.84 1bw5 h THR 20 N 0.42 1.27 0.62 2.04 2.02 -0.86 -2.89 112.91 115.55 1bw5 h THR 20 Ca 0.58 -1.37 -0.03 0.00 0.77 0.00 0.00 66.41 66.37 1bw5 h THR 20 Cb 1.43 1.22 -0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1bw5 h THR 20 CO -0.30 0.47 -0.35 0.00 0.37 0.00 0.00 175.52 175.71 1bw5 h TYR 22 N -0.91 0.97 0.00 0.00 5.03 -1.52 0.51 116.97 121.06 1bw5 h TYR 22 Ca -0.08 0.04 0.00 0.00 2.58 0.00 0.00 58.73 61.27 1bw5 h TYR 22 Cb 0.73 -0.28 0.00 0.00 1.55 0.00 0.00 36.73 38.72 1bw5 h TYR 22 CO -0.08 0.17 0.27 0.00 -1.32 0.00 0.00 178.16 177.20 1bw5 h ALA 23 N 1.65 1.23 0.00 1.82 0.00 -1.24 -1.53 119.26 121.19 1bw5 h ALA 23 Ca 0.57 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 55.11 1bw5 h ALA 23 Cb 0.93 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.65 1bw5 h ALA 23 CO -0.41 -0.23 -2.40 0.00 0.00 0.00 0.00 179.25 176.21 1bw5 n ALA 24 N -1.77 1.47 -3.65 0.00 0.00 0.18 -5.00 120.51 111.75 1bw5 n ALA 24 Ca -0.02 -1.08 -0.07 0.00 0.00 0.00 0.00 53.44 52.28 1bw5 n ALA 24 Cb 0.31 -0.08 -0.07 0.00 0.00 0.00 0.00 19.45 19.61 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 -6.28 -0.93 -0.02 0.00 2.47 -0.58 -5.02 114.94 104.59 1bw5 s ASN 25 Ca -0.30 1.47 0.04 0.00 0.42 0.00 0.00 52.86 54.49 1bw5 s ASN 25 Cb 0.08 1.45 0.16 0.00 -1.45 0.00 0.00 41.25 41.49 1bw5 s ASN 25 CO 0.60 -0.23 0.97 -0.81 -3.72 0.00 0.00 177.10 173.91 1bw5 n PRO 26 N 4.47 1.57 -3.12 0.43 -0.04 -1.26 -4.28 135.00 132.78 1bw5 n PRO 26 Ca -0.19 -0.62 -0.13 0.00 -0.04 0.00 0.00 63.50 62.52 1bw5 n PRO 26 Cb 0.57 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.64 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 -1.62 0.91 0.74 0.54 0.52 -1.26 -5.07 118.95 113.72 1bw5 s ARG 27 Ca 0.11 -1.27 -0.08 0.00 -0.52 0.00 0.00 55.73 53.97 1bw5 s ARG 27 Cb 0.07 -0.60 0.08 0.00 0.52 0.00 0.00 34.95 35.02 1bw5 s ARG 27 CO 0.06 -1.31 1.06 -1.25 0.02 0.00 0.00 175.30 173.88 1bw5 s PRO 28 N 0.82 2.00 0.00 3.54 0.04 -1.26 -5.08 135.00 135.07 1bw5 s PRO 28 Ca 0.27 -0.26 0.00 0.00 0.04 0.00 0.00 61.00 61.05 1bw5 s PRO 28 Cb -0.03 -2.12 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1bw5 s PRO 28 CO -0.09 -1.40 0.00 -0.40 0.04 0.00 0.00 177.00 175.15 1bw5 n ASP 29 N -3.05 0.00 -0.70 6.66 5.68 -1.26 -4.97 116.55 118.91 1bw5 n ASP 29 Ca 0.09 0.00 0.53 0.00 -0.50 0.00 0.00 54.79 54.91 1bw5 n ASP 29 Cb 0.60 0.00 0.81 0.00 -1.14 0.00 0.00 41.12 41.40 1bw5 n ASP 29 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bw5 n ALA 30 N -3.00 1.87 -1.00 2.12 0.00 -1.26 0.18 120.51 119.42 1bw5 n ALA 30 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 53.44 54.10 1bw5 n ALA 30 Cb 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1bw5 n ALA 30 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1bw5 n LEU 31 N -3.95 1.32 0.20 0.00 0.00 -1.26 -3.91 117.00 109.41 1bw5 n LEU 31 Ca 0.44 0.23 0.16 0.00 0.00 0.00 0.00 56.01 56.84 1bw5 n LEU 31 Cb 1.99 0.00 0.80 0.00 0.00 0.00 0.00 43.42 46.21 1bw5 n LEU 31 CO 0.43 0.00 1.14 -0.03 0.00 0.00 0.00 177.39 178.93 1bw5 h MET 32 N 0.00 0.00 -1.16 1.96 4.05 -1.83 -2.36 114.93 115.59 1bw5 h MET 32 Ca 0.00 0.00 0.34 0.00 -0.28 0.00 0.00 59.70 59.76 1bw5 h MET 32 Cb 0.00 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 30.75 1bw5 h MET 32 CO 0.00 0.00 0.91 1.57 0.23 0.00 0.00 176.91 179.62 1bw5 h LYS 33 N 0.00 0.00 0.00 0.39 5.09 -0.38 -1.37 116.57 120.30 1bw5 h LYS 33 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.82 1bw5 h LYS 33 Cb 0.40 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.73 1bw5 h LYS 33 CO -0.00 0.00 0.00 0.39 -2.09 0.00 0.00 179.45 177.75 1bw5 n GLU 34 N -3.98 0.00 -0.29 0.07 -0.58 -0.89 -3.56 120.64 111.41 1bw5 n GLU 34 Ca 0.25 0.28 0.06 0.00 -0.42 0.00 0.00 57.16 57.34 1bw5 n GLU 34 Cb 1.29 -1.15 0.28 0.00 -0.57 0.00 0.00 31.44 31.29 1bw5 n GLU 34 CO 0.00 0.00 0.00 -0.56 -0.48 0.00 0.00 177.13 176.09 1bw5 h GLN 35 N 0.00 0.91 -0.71 3.49 3.07 -1.71 -2.91 115.11 117.24 1bw5 h GLN 35 Ca 0.00 -0.05 0.13 0.00 0.09 0.00 0.00 58.65 58.82 1bw5 h GLN 35 Cb 0.00 -0.20 -0.13 0.00 0.08 0.00 0.00 27.48 27.22 1bw5 h GLN 35 CO 0.00 0.60 -0.27 -0.07 0.09 0.00 0.00 178.83 179.18 1bw5 h LEU 36 N 0.93 -0.95 -0.65 0.06 -0.00 -1.36 0.48 115.31 113.82 1bw5 h LEU 36 Ca 0.41 0.23 0.12 0.00 -0.00 0.00 0.00 57.88 58.64 1bw5 h LEU 36 Cb 0.34 0.54 -0.09 0.00 -0.00 0.00 0.00 40.66 41.45 1bw5 h LEU 36 CO -0.17 -0.28 0.20 0.58 -0.00 0.00 0.00 178.44 178.78 1bw5 h VAL 37 N -0.07 0.68 -0.62 1.22 2.07 -1.56 -1.81 116.25 116.15 1bw5 h VAL 37 Ca 0.31 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.66 1bw5 h VAL 37 Cb 0.56 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1bw5 h VAL 37 CO -0.76 0.06 0.19 -0.08 0.02 0.00 0.00 177.57 177.01 1bw5 h GLU 38 N 0.35 0.95 -0.15 1.57 4.81 -1.04 1.74 114.58 122.81 1bw5 h GLU 38 Ca 0.34 -0.18 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1bw5 h GLU 38 Cb 0.49 -0.15 -0.05 0.00 0.63 0.00 0.00 28.75 29.68 1bw5 h GLU 38 CO -0.38 0.82 -0.13 0.52 -0.73 0.00 0.00 179.01 179.11 1bw5 h MET 39 N 0.92 -0.14 0.00 1.92 2.86 -0.66 -3.14 114.93 116.69 1bw5 h MET 39 Ca 0.21 0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.86 1bw5 h MET 39 Cb 0.26 0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.96 1bw5 h MET 39 CO -0.01 -0.09 -1.15 -2.37 1.06 0.00 0.00 176.91 174.35 1bw5 n THR 40 N -5.28 0.00 -0.87 2.22 5.66 -1.20 -4.95 114.28 109.86 1bw5 n THR 40 Ca -0.03 -0.19 0.00 0.00 -3.05 0.00 0.00 64.05 60.78 1bw5 n THR 40 Cb 0.20 0.71 0.00 0.00 -1.55 0.00 0.00 70.33 69.69 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 1.43 0.33 3.88 1.09 0.00 0.59 -4.97 105.19 107.54 1bw5 n GLY 41 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 3.23 1.04 0.99 1.02 -1.23 -4.97 118.68 118.76 1bw5 s LEU 42 Ca 0.00 1.27 -0.13 0.00 0.02 0.00 0.00 54.13 55.30 1bw5 s LEU 42 Cb 0.00 -4.26 0.21 0.00 0.02 0.00 0.00 46.19 42.16 1bw5 s LEU 42 CO 0.00 -0.91 1.08 -0.55 0.02 0.00 0.00 176.35 175.99 1bw5 s SER 43 N -4.20 2.25 0.51 2.29 0.15 -1.26 -4.75 113.70 108.67 1bw5 s SER 43 Ca 0.54 1.22 0.31 0.00 0.70 0.00 0.00 55.95 58.72 1bw5 s SER 43 Cb -0.11 -1.91 1.15 0.00 -1.71 0.00 0.00 66.02 63.44 1bw5 s SER 43 CO 0.52 -3.37 1.90 1.55 1.20 0.00 0.00 173.24 175.03 1bw5 h PRO 44 N -2.06 0.00 0.33 5.44 0.13 -1.98 -3.29 132.00 130.57 1bw5 h PRO 44 Ca -0.56 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 1bw5 h PRO 44 Cb 1.33 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.44 1bw5 h PRO 44 CO 0.57 0.00 -0.38 0.00 -0.23 0.00 0.00 178.00 177.95 1bw5 h ARG 45 N 0.00 -0.73 -0.35 0.86 -0.00 -2.02 -2.63 114.38 109.52 1bw5 h ARG 45 Ca 0.00 0.05 -0.03 0.00 -0.50 0.00 0.00 59.98 59.50 1bw5 h ARG 45 Cb 0.60 0.17 -0.02 0.00 0.00 0.00 0.00 29.97 30.71 1bw5 h ARG 45 CO 0.00 -0.48 0.09 0.28 0.00 0.00 0.00 179.97 179.86 1bw5 h VAL 46 N -0.75 1.16 0.49 2.04 2.07 -1.95 -3.16 116.25 116.14 1bw5 h VAL 46 Ca -0.02 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 66.94 1bw5 h VAL 46 Cb 0.69 0.79 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1bw5 h VAL 46 CO -0.10 0.20 -0.42 0.40 0.02 0.00 0.00 177.57 177.68 1bw5 h ILE 47 N 0.50 0.16 0.07 4.57 1.08 -1.58 -2.27 117.51 120.05 1bw5 h ILE 47 Ca 0.12 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.59 1bw5 h ILE 47 Cb 0.18 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 34.08 1bw5 h ILE 47 CO -0.01 0.00 -0.20 0.03 -0.69 0.00 0.00 178.15 177.29 1bw5 h ARG 48 N -0.90 -0.29 -0.44 2.37 2.47 -1.48 -2.95 114.38 113.16 1bw5 h ARG 48 Ca -0.05 0.02 0.05 0.00 -1.26 0.00 0.00 59.98 58.74 1bw5 h ARG 48 Cb 0.77 0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.14 1bw5 h ARG 48 CO -0.02 -0.19 0.30 -0.24 0.56 0.00 0.00 179.97 180.37 1bw5 h VAL 49 N -0.30 0.98 0.32 2.04 3.04 -1.63 -3.03 116.25 117.66 1bw5 h VAL 49 Ca -0.01 -0.13 -0.00 0.00 -1.01 0.00 0.00 66.70 65.55 1bw5 h VAL 49 Cb 0.29 0.56 -0.03 0.00 -2.01 0.00 0.00 31.29 30.10 1bw5 h VAL 49 CO -0.09 0.07 -0.52 -0.25 -1.01 0.00 0.00 177.57 175.77 1bw5 h TRP 50 N 0.38 -1.47 -0.24 3.17 7.01 -1.22 0.32 115.95 123.91 1bw5 h TRP 50 Ca 0.19 0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.27 1bw5 h TRP 50 Cb 0.27 0.60 -0.06 0.00 -2.10 0.00 0.00 29.16 27.87 1bw5 h TRP 50 CO -0.00 -0.64 -0.17 0.74 -2.79 0.00 0.00 178.44 175.59 1bw5 h PHE 51 N -0.88 -0.42 0.35 2.65 0.04 -1.52 0.63 116.94 117.79 1bw5 h PHE 51 Ca -0.04 0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 1bw5 h PHE 51 Cb 0.82 0.22 -0.03 0.00 2.20 0.00 0.00 35.95 39.16 1bw5 h PHE 51 CO -0.35 -0.24 -0.45 0.37 -0.60 0.00 0.00 178.31 177.03 1bw5 h GLN 52 N -0.16 -0.80 -1.00 1.51 4.15 -1.40 -1.85 115.11 115.56 1bw5 h GLN 52 Ca 0.13 0.05 0.19 0.00 0.77 0.00 0.00 58.65 59.79 1bw5 h GLN 52 Cb 0.36 0.18 -0.10 0.00 0.21 0.00 0.00 27.48 28.13 1bw5 h GLN 52 CO -0.33 -0.53 0.61 -0.97 -1.93 0.00 0.00 178.83 175.68 1bw5 h ASN 53 N -0.83 0.78 -0.86 -0.69 -0.73 0.03 -2.17 115.58 111.11 1bw5 h ASN 53 Ca -0.04 0.09 0.22 0.00 1.87 0.00 0.00 56.30 58.44 1bw5 h ASN 53 Cb 0.75 -0.05 -0.15 0.00 0.27 0.00 0.00 38.32 39.14 1bw5 h ASN 53 CO -0.11 0.29 0.12 0.50 -0.37 0.00 0.00 177.43 177.85 1bw5 h LYS 54 N 0.77 0.13 -0.14 6.67 3.11 0.11 -1.47 116.57 125.75 1bw5 h LYS 54 Ca 0.57 -0.01 0.03 0.00 -2.81 0.00 0.00 60.65 58.43 1bw5 h LYS 54 Cb 0.88 -0.03 -0.06 0.00 -1.00 0.00 0.00 32.23 32.02 1bw5 h LYS 54 CO -0.37 0.08 -0.53 -0.09 -2.81 0.00 0.00 179.45 175.74 1bw5 h ARG 55 N 0.13 -0.54 -0.16 1.90 2.43 -1.35 1.09 114.38 117.88 1bw5 h ARG 55 Ca 0.52 0.04 0.03 0.00 -0.81 0.00 0.00 59.98 59.75 1bw5 h ARG 55 Cb 1.01 0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.66 1bw5 h ARG 55 CO -0.72 -0.36 -0.01 0.00 -1.51 0.00 0.00 179.97 177.37 1bw5 h LYS 57 N 0.04 0.00 -3.67 0.00 1.79 -0.77 -3.31 116.57 110.66 1bw5 h LYS 57 Ca 0.08 0.00 -0.30 0.00 -2.18 0.00 0.00 60.65 58.24 1bw5 h LYS 57 Cb 0.10 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.77 1bw5 h LYS 57 CO -0.14 0.12 2.17 -3.47 -1.08 0.00 0.00 179.45 177.06 1bw5 n ASP 58 N -3.74 3.50 -4.77 0.86 2.03 0.37 -4.90 116.55 109.91 1bw5 n ASP 58 Ca -0.02 -2.27 -0.39 0.00 0.52 0.00 0.00 54.79 52.64 1bw5 n ASP 58 Cb 0.23 -0.94 -0.00 0.00 -0.72 0.00 0.00 41.12 39.69 1bw5 n ASP 58 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 1bw5 s LYS 59 N 3.96 3.89 -0.83 -0.67 2.47 -1.25 -4.80 119.74 122.52 1bw5 s LYS 59 Ca 0.31 2.07 -0.27 0.00 -1.56 0.00 0.00 55.97 56.53 1bw5 s LYS 59 Cb 0.08 -2.67 -0.18 0.00 -1.46 0.00 0.00 37.83 33.60 1bw5 s LYS 59 CO -0.01 -0.53 2.53 1.63 0.16 0.00 0.00 175.35 179.14 1bw5 n LYS 60 N -0.03 0.36 0.00 4.03 4.76 -1.26 -4.64 118.16 121.37 1bw5 n LYS 60 Ca 0.05 -0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 1bw5 n LYS 60 Cb 0.45 -2.19 0.00 0.00 -1.84 0.00 0.00 35.03 31.44 1bw5 n LYS 60 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1bw5 n ARG 61 N 8.35 4.30 -0.43 1.97 3.00 -1.26 -4.71 116.66 127.87 1bw5 n ARG 61 Ca 0.56 0.00 0.10 0.00 -0.00 0.00 0.00 57.85 58.51 1bw5 n ARG 61 Cb 0.23 -0.43 0.30 0.00 0.00 0.00 0.00 32.46 32.57 1bw5 n ARG 61 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1bw5 n SER 62 N -0.74 3.84 -4.57 6.15 2.88 -1.26 -4.86 113.62 115.05 1bw5 n SER 62 Ca 0.00 -2.17 -0.18 0.00 -1.33 0.00 0.00 58.87 55.19 1bw5 n SER 62 Cb 0.00 -0.48 -0.07 0.00 -0.75 0.00 0.00 64.21 62.90 1bw5 n SER 62 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1bw5 s ILE 63 N -1.43 3.17 0.36 2.46 -1.09 -1.26 -4.92 121.20 118.49 1bw5 s ILE 63 Ca 0.44 -0.19 -0.27 0.00 -2.23 0.00 0.00 60.65 58.40 1bw5 s ILE 63 Cb 0.26 -3.62 -0.09 0.00 -1.58 0.00 0.00 42.46 37.42 1bw5 s ILE 63 CO 0.26 -0.34 1.25 -0.04 -1.23 0.00 0.00 174.94 174.84 1bw5 s MET 64 N 8.13 4.23 -0.21 2.79 -1.94 -1.26 -5.00 119.30 126.03 1bw5 s MET 64 Ca 0.83 2.06 -0.15 0.00 -1.71 0.00 0.00 55.69 56.72 1bw5 s MET 64 Cb -0.08 -2.92 -0.04 0.00 2.01 0.00 0.00 34.83 33.80 1bw5 s MET 64 CO 0.09 -0.24 0.35 -1.64 -0.01 0.00 0.00 175.02 173.57 1bw5 s MET 65 N -1.97 4.14 0.00 2.03 -1.94 -1.26 -5.27 119.30 115.03 1bw5 s MET 65 Ca 0.52 0.10 0.00 0.00 -1.71 0.00 0.00 55.69 54.60 1bw5 s MET 65 Cb -0.36 -3.54 0.00 0.00 2.01 0.00 0.00 34.83 32.94 1bw5 s MET 65 CO 0.47 -0.03 0.03 1.17 -0.01 0.00 0.00 175.02 176.65