#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bw5 n LYS 2 N 0.00 -1.65 0.00 3.17 4.81 -1.26 -4.64 118.16 118.59 1bw5 n LYS 2 Ca 0.00 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.26 1bw5 n LYS 2 Cb 0.00 -5.25 0.00 0.00 0.02 0.00 0.00 35.03 29.80 1bw5 n LYS 2 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1bw5 n THR 3 N -2.70 0.00 -2.63 3.15 -1.04 -1.26 -4.23 114.28 105.56 1bw5 n THR 3 Ca -0.16 0.00 -0.42 0.00 -2.04 0.00 0.00 64.05 61.43 1bw5 n THR 3 Cb 0.56 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 69.03 1bw5 n THR 3 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1bw5 s THR 4 N 0.00 3.90 0.55 12.58 2.01 -1.26 -5.00 115.64 128.41 1bw5 s THR 4 Ca 0.00 0.24 -0.22 0.00 0.31 0.00 0.00 61.69 62.03 1bw5 s THR 4 Cb 0.00 -4.84 -0.05 0.00 0.01 0.00 0.00 72.50 67.62 1bw5 s THR 4 CO 0.00 -1.71 1.34 -0.13 -0.69 0.00 0.00 174.62 173.42 1bw5 s ARG 5 N 5.24 3.14 0.08 4.92 0.52 -1.26 -4.47 118.95 127.13 1bw5 s ARG 5 Ca 0.32 2.18 0.00 0.00 -0.52 0.00 0.00 55.73 57.72 1bw5 s ARG 5 Cb -0.10 -2.24 0.00 0.00 0.52 0.00 0.00 34.95 33.13 1bw5 s ARG 5 CO 0.14 -1.17 0.00 0.28 0.02 0.00 0.00 175.30 174.57 1bw5 n VAL 6 N -1.05-10.42 -3.13 3.52 0.31 -1.26 -4.83 118.33 101.46 1bw5 n VAL 6 Ca 0.11 2.55 -0.44 0.00 -0.01 0.00 0.00 64.34 66.55 1bw5 n VAL 6 Cb 0.45 -4.73 -0.05 0.00 -0.91 0.00 0.00 33.84 28.60 1bw5 n VAL 6 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 1bw5 s ARG 7 N -0.43 3.09 0.79 5.55 3.00 -1.26 -5.04 118.95 124.64 1bw5 s ARG 7 Ca 0.00 -1.08 -0.11 0.00 -1.00 0.00 0.00 55.73 53.54 1bw5 s ARG 7 Cb 0.00 -4.17 0.06 0.00 0.00 0.00 0.00 34.95 30.84 1bw5 s ARG 7 CO 0.00 -1.37 1.09 0.95 0.00 0.00 0.00 175.30 175.96 1bw5 s THR 8 N 2.68 3.28 -0.27 4.11 -4.23 -1.26 -5.00 115.64 114.95 1bw5 s THR 8 Ca 0.14 0.42 0.20 0.00 -1.18 0.00 0.00 61.69 61.26 1bw5 s THR 8 Cb -0.21 -2.99 0.50 0.00 1.34 0.00 0.00 72.50 71.13 1bw5 s THR 8 CO 0.09 -0.55 1.10 1.33 -0.54 0.00 0.00 174.62 176.06 1bw5 n VAL 9 N -3.51 1.41 -2.62 2.29 0.24 -1.26 -5.08 118.33 109.80 1bw5 n VAL 9 Ca 0.08 -3.13 -0.42 0.00 -2.04 0.00 0.00 64.34 58.83 1bw5 n VAL 9 Cb 0.54 0.89 -0.03 0.00 -1.47 0.00 0.00 33.84 33.78 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 -3.70 4.27 0.00 1.34 1.98 -1.26 -4.97 118.68 116.34 1bw5 s LEU 10 Ca 0.30 1.64 0.00 0.00 -2.89 0.00 0.00 54.13 53.18 1bw5 s LEU 10 Cb 0.35 -3.56 0.00 0.00 0.66 0.00 0.00 46.19 43.64 1bw5 s LEU 10 CO -0.02 -0.47 0.00 -0.46 -1.89 0.00 0.00 176.35 173.50 1bw5 n ASN 11 N 4.94 0.00 0.26 3.68 0.23 -1.26 -4.99 115.26 118.12 1bw5 n ASN 11 Ca 0.09 -0.50 0.09 0.00 -0.53 0.00 0.00 54.58 53.73 1bw5 n ASN 11 Cb 0.48 0.00 0.49 0.00 -2.08 0.00 0.00 39.78 38.67 1bw5 n ASN 11 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1bw5 h GLU 12 N 0.00 0.00 0.00 -3.83 4.57 -1.98 -2.52 114.58 110.82 1bw5 h GLU 12 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1bw5 h GLU 12 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1bw5 h GLU 12 CO 0.00 0.00 0.00 1.17 -1.18 0.00 0.00 179.01 179.00 1bw5 n LYS 13 N -2.45 0.00 0.13 1.92 3.00 -1.26 -3.63 118.16 115.87 1bw5 n LYS 13 Ca -0.01 0.00 0.02 0.00 -0.00 0.00 0.00 58.31 58.32 1bw5 n LYS 13 Cb 0.46 -0.63 0.36 0.00 0.00 0.00 0.00 35.03 35.22 1bw5 n LYS 13 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1bw5 h GLN 14 N 0.00 0.19 -0.29 1.64 7.50 -1.93 -3.11 115.11 119.12 1bw5 h GLN 14 Ca 0.00 -0.05 0.04 0.00 0.50 0.00 0.00 58.65 59.14 1bw5 h GLN 14 Cb 0.00 -0.02 -0.04 0.00 0.05 0.00 0.00 27.48 27.47 1bw5 h GLN 14 CO 0.00 0.41 0.04 1.25 -1.50 0.00 0.00 178.83 179.03 1bw5 h LEU 15 N 0.18 -0.03 -0.41 1.46 7.12 -1.65 -2.81 115.31 119.17 1bw5 h LEU 15 Ca 0.03 0.05 0.09 0.00 0.13 0.00 0.00 57.88 58.18 1bw5 h LEU 15 Cb 0.49 0.08 -0.09 0.00 -0.53 0.00 0.00 40.66 40.61 1bw5 h LEU 15 CO 0.03 0.02 -0.17 -0.74 -0.13 0.00 0.00 178.44 177.45 1bw5 h HIS 16 N 0.14 -0.41 0.08 1.25 2.76 -1.60 -1.77 115.15 115.59 1bw5 h HIS 16 Ca 0.13 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.35 1bw5 h HIS 16 Cb 0.15 0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.34 1bw5 h HIS 16 CO -0.18 -0.25 -0.23 1.15 -1.30 0.00 0.00 177.93 177.12 1bw5 h THR 17 N -0.09 0.00 -1.08 6.26 2.02 -1.62 -1.74 112.91 116.66 1bw5 h THR 17 Ca 0.20 0.00 0.29 0.00 0.77 0.00 0.00 66.41 67.67 1bw5 h THR 17 Cb 0.40 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.70 1bw5 h THR 17 CO -0.47 0.00 0.69 -0.07 0.37 0.00 0.00 175.52 176.04 1bw5 h LEU 18 N -0.35 0.43 -1.03 2.58 3.38 -1.43 0.65 115.31 119.54 1bw5 h LEU 18 Ca -0.01 0.10 0.19 0.00 0.09 0.00 0.00 57.88 58.25 1bw5 h LEU 18 Cb 0.34 0.03 -0.11 0.00 0.09 0.00 0.00 40.66 41.02 1bw5 h LEU 18 CO -0.11 0.04 0.61 -0.09 0.09 0.00 0.00 178.44 178.99 1bw5 h ARG 19 N 0.35 0.73 -0.30 1.13 1.12 -0.41 0.14 114.38 117.15 1bw5 h ARG 19 Ca 0.63 -0.04 -0.10 0.00 -1.11 0.00 0.00 59.98 59.36 1bw5 h ARG 19 Cb 1.65 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 31.43 1bw5 h ARG 19 CO -0.33 0.48 -0.22 1.79 -3.11 0.00 0.00 179.97 178.59 1bw5 h THR 20 N 0.75 1.26 0.64 0.20 1.35 -0.80 -3.01 112.91 113.29 1bw5 h THR 20 Ca 0.58 -1.24 -0.03 0.00 -0.55 0.00 0.00 66.41 65.17 1bw5 h THR 20 Cb 0.92 1.27 0.01 0.00 -1.73 0.00 0.00 68.15 68.62 1bw5 h THR 20 CO -0.38 0.40 -0.31 0.00 -0.25 0.00 0.00 175.52 174.99 1bw5 h TYR 22 N -0.93 -0.08 0.00 0.00 3.20 -1.38 0.80 116.97 118.59 1bw5 h TYR 22 Ca -0.09 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1bw5 h TYR 22 Cb 0.68 0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.09 1bw5 h TYR 22 CO -0.02 -0.20 0.03 0.00 -1.64 0.00 0.00 178.16 176.34 1bw5 h ALA 23 N 1.60 1.03 0.00 1.82 0.00 -1.48 -1.96 119.26 120.27 1bw5 h ALA 23 Ca 0.34 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.89 1bw5 h ALA 23 Cb 0.56 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.28 1bw5 h ALA 23 CO -0.57 -0.03 -2.36 0.00 0.00 0.00 0.00 179.25 176.29 1bw5 n ALA 24 N -1.87 1.51 -3.15 0.00 0.00 0.25 -4.94 120.51 112.30 1bw5 n ALA 24 Ca -0.02 -1.25 0.04 0.00 0.00 0.00 0.00 53.44 52.21 1bw5 n ALA 24 Cb 0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 19.45 19.37 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 -5.60 -1.31 0.00 0.00 2.47 0.70 -5.00 114.94 106.19 1bw5 s ASN 25 Ca -0.14 0.58 0.08 0.00 0.42 0.00 0.00 52.86 53.79 1bw5 s ASN 25 Cb 0.06 2.00 0.46 0.00 -1.45 0.00 0.00 41.25 42.32 1bw5 s ASN 25 CO 0.76 -0.24 1.10 -0.81 -3.72 0.00 0.00 177.10 174.18 1bw5 n PRO 26 N 5.42 0.77 -3.16 0.43 -0.04 -1.22 -4.30 135.00 132.89 1bw5 n PRO 26 Ca 0.01 0.00 -0.14 0.00 -0.04 0.00 0.00 63.50 63.33 1bw5 n PRO 26 Cb 0.52 -1.16 -0.05 0.00 -0.04 0.00 0.00 33.50 32.78 1bw5 n PRO 26 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1bw5 s ARG 27 N -2.00 0.87 0.61 0.54 1.70 -1.26 -5.09 118.95 114.31 1bw5 s ARG 27 Ca 0.11 -1.22 -0.05 0.00 -0.47 0.00 0.00 55.73 54.10 1bw5 s ARG 27 Cb 0.05 -0.62 0.03 0.00 -0.57 0.00 0.00 34.95 33.84 1bw5 s ARG 27 CO 0.09 -1.29 0.90 -1.25 -1.08 0.00 0.00 175.30 172.67 1bw5 s PRO 28 N 0.90 2.68 0.00 3.89 0.04 -1.26 -5.06 135.00 136.19 1bw5 s PRO 28 Ca 0.25 -0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.09 1bw5 s PRO 28 Cb -0.04 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.21 1bw5 s PRO 28 CO -0.08 -0.82 0.00 -0.40 0.04 0.00 0.00 177.00 175.73 1bw5 n ASP 29 N -2.61 0.00 -0.56 6.66 5.68 -1.26 -4.95 116.55 119.50 1bw5 n ASP 29 Ca 0.06 0.00 0.45 0.00 -0.50 0.00 0.00 54.79 54.80 1bw5 n ASP 29 Cb 0.59 0.00 0.73 0.00 -1.14 0.00 0.00 41.12 41.30 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 3.21 -3.00 2.12 0.00 -1.98 0.32 119.26 121.94 1bw5 h ALA 30 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1bw5 h ALA 30 Cb 0.00 0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1bw5 h ALA 30 CO 0.00 -1.86 0.00 1.28 0.00 0.00 0.00 179.25 178.67 1bw5 n LEU 31 N -4.45 0.44 0.27 0.00 4.32 -1.26 -3.85 117.00 112.47 1bw5 n LEU 31 Ca 0.42 0.20 0.16 0.00 -0.02 0.00 0.00 56.01 56.76 1bw5 n LEU 31 Cb 1.73 0.00 0.89 0.00 -1.62 0.00 0.00 43.42 44.43 1bw5 n LEU 31 CO 0.28 0.00 1.13 -0.03 -1.22 0.00 0.00 177.39 177.55 1bw5 h MET 32 N 0.00 0.00 -1.07 3.23 4.05 -1.89 -2.84 114.93 116.41 1bw5 h MET 32 Ca 0.00 0.00 0.36 0.00 -0.28 0.00 0.00 59.70 59.78 1bw5 h MET 32 Cb 0.00 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 30.65 1bw5 h MET 32 CO 0.00 0.00 0.63 0.87 0.23 0.00 0.00 176.91 178.64 1bw5 h LYS 33 N 0.00 0.22 0.53 0.39 1.57 -0.47 0.37 116.57 119.19 1bw5 h LYS 33 Ca 0.02 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.76 1bw5 h LYS 33 Cb 0.13 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.39 1bw5 h LYS 33 CO -0.00 0.15 -0.25 1.49 -0.57 0.00 0.00 179.45 180.26 1bw5 h GLU 34 N 0.23 -0.68 -0.18 3.15 4.22 -1.63 -2.99 114.58 116.70 1bw5 h GLU 34 Ca 0.76 0.05 -0.01 0.00 0.08 0.00 0.00 59.36 60.24 1bw5 h GLU 34 Cb 1.94 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 31.34 1bw5 h GLU 34 CO -0.57 -0.40 0.09 1.96 -2.18 0.00 0.00 179.01 177.91 1bw5 h GLN 35 N -0.86 0.25 -1.00 1.92 7.50 -0.91 -2.98 115.11 119.03 1bw5 h GLN 35 Ca -0.07 -0.03 0.26 0.00 0.50 0.00 0.00 58.65 59.31 1bw5 h GLN 35 Cb 0.60 -0.05 -0.13 0.00 0.05 0.00 0.00 27.48 27.96 1bw5 h GLN 35 CO 0.12 0.27 0.59 -0.07 -1.50 0.00 0.00 178.83 178.24 1bw5 h LEU 36 N 0.17 0.64 -0.25 1.46 -0.00 -0.43 -0.22 115.31 116.69 1bw5 h LEU 36 Ca 0.06 0.15 0.03 0.00 -0.00 0.00 0.00 57.88 58.12 1bw5 h LEU 36 Cb 0.10 0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 40.78 1bw5 h LEU 36 CO -0.01 0.05 0.05 0.58 -0.00 0.00 0.00 178.44 179.12 1bw5 h VAL 37 N 0.53 0.89 -0.69 1.22 2.07 -1.36 -2.26 116.25 116.64 1bw5 h VAL 37 Ca 0.66 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 68.24 1bw5 h VAL 37 Cb 1.32 0.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 1bw5 h VAL 37 CO -0.50 0.03 0.46 -0.33 0.02 0.00 0.00 177.57 177.24 1bw5 h GLU 38 N 0.15 0.49 0.84 1.57 3.07 -1.13 1.06 114.58 120.64 1bw5 h GLU 38 Ca 0.11 -0.03 -0.04 0.00 -0.50 0.00 0.00 59.36 58.90 1bw5 h GLU 38 Cb 0.11 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 1bw5 h GLU 38 CO -0.15 0.33 -0.48 1.98 -1.40 0.00 0.00 179.01 179.29 1bw5 h MET 39 N 0.51 -1.18 0.00 2.33 4.05 -1.29 -3.27 114.93 116.08 1bw5 h MET 39 Ca 0.32 0.08 0.00 0.00 -0.28 0.00 0.00 59.70 59.82 1bw5 h MET 39 Cb 0.58 0.27 0.00 0.00 -0.80 0.00 0.00 31.60 31.65 1bw5 h MET 39 CO -0.11 -0.79 -0.98 -2.37 0.23 0.00 0.00 176.91 172.90 1bw5 n THR 40 N -5.63 0.01 -0.75 -0.77 5.66 -1.15 -4.94 114.28 106.71 1bw5 n THR 40 Ca -0.15 -0.04 0.00 0.00 -3.05 0.00 0.00 64.05 60.81 1bw5 n THR 40 Cb 0.50 0.80 0.00 0.00 -1.55 0.00 0.00 70.33 70.08 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 0.49 3.87 1.09 0.00 0.37 -4.97 105.19 107.52 1bw5 n GLY 41 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 3.34 1.08 0.99 1.02 -1.25 -4.99 118.68 118.88 1bw5 s LEU 42 Ca 0.00 1.38 -0.12 0.00 0.02 0.00 0.00 54.13 55.41 1bw5 s LEU 42 Cb 0.00 -4.40 0.24 0.00 0.02 0.00 0.00 46.19 42.04 1bw5 s LEU 42 CO 0.00 -0.79 1.06 -0.94 0.02 0.00 0.00 176.35 175.70 1bw5 s SER 43 N -3.99 1.76 0.45 2.29 1.04 -1.26 -4.77 113.70 109.21 1bw5 s SER 43 Ca 0.55 1.40 0.25 0.00 0.48 0.00 0.00 55.95 58.63 1bw5 s SER 43 Cb -0.11 -2.13 0.86 0.00 0.10 0.00 0.00 66.02 64.75 1bw5 s SER 43 CO 0.49 -3.70 1.80 1.55 0.98 0.00 0.00 173.24 174.36 1bw5 h PRO 44 N -2.28 0.00 0.05 4.02 0.13 -1.96 -3.31 132.00 128.65 1bw5 h PRO 44 Ca -0.58 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.56 1bw5 h PRO 44 Cb 1.33 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 1bw5 h PRO 44 CO 0.53 0.18 -0.18 -0.09 -0.23 0.00 0.00 178.00 178.21 1bw5 h ARG 45 N 0.00 -0.25 -0.44 0.86 2.43 -2.02 -1.91 114.38 113.05 1bw5 h ARG 45 Ca -0.00 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 59.30 1bw5 h ARG 45 Cb 0.79 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 1bw5 h ARG 45 CO 0.02 -0.17 0.31 0.28 -1.51 0.00 0.00 179.97 178.90 1bw5 h VAL 46 N -0.26 0.82 -0.07 0.20 2.07 -1.95 -2.87 116.25 114.19 1bw5 h VAL 46 Ca -0.00 -0.03 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 1bw5 h VAL 46 Cb 0.26 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.76 1bw5 h VAL 46 CO -0.10 0.01 0.01 0.40 0.02 0.00 0.00 177.57 177.92 1bw5 h ILE 47 N 0.08 1.22 0.50 4.57 1.08 -1.45 -3.14 117.51 120.36 1bw5 h ILE 47 Ca 0.21 -0.67 -0.01 0.00 -0.39 0.00 0.00 64.86 63.99 1bw5 h ILE 47 Cb 0.72 1.55 -0.02 0.00 -3.07 0.00 0.00 36.82 35.99 1bw5 h ILE 47 CO -0.02 0.19 -0.51 -0.09 -0.69 0.00 0.00 178.15 177.03 1bw5 h ARG 48 N -0.14 -0.97 -0.71 2.37 2.43 -1.17 -2.75 114.38 113.45 1bw5 h ARG 48 Ca 0.02 0.07 0.18 0.00 -0.81 0.00 0.00 59.98 59.43 1bw5 h ARG 48 Cb 0.29 0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 30.02 1bw5 h ARG 48 CO 0.00 -0.65 0.49 -0.24 -1.51 0.00 0.00 179.97 178.06 1bw5 h VAL 49 N -1.01 0.72 0.29 0.20 3.04 -1.66 -2.97 116.25 114.85 1bw5 h VAL 49 Ca -0.06 -0.06 -0.01 0.00 -1.01 0.00 0.00 66.70 65.56 1bw5 h VAL 49 Cb 0.88 0.52 -0.02 0.00 -2.01 0.00 0.00 31.29 30.66 1bw5 h VAL 49 CO -0.07 0.03 -0.36 -0.25 -1.01 0.00 0.00 177.57 175.91 1bw5 h TRP 50 N 0.18 -1.02 -0.77 3.17 7.01 -1.43 -2.71 115.95 120.38 1bw5 h TRP 50 Ca 0.34 0.01 0.18 0.00 2.11 0.00 0.00 58.89 61.53 1bw5 h TRP 50 Cb 1.10 0.41 -0.12 0.00 -2.10 0.00 0.00 29.16 28.45 1bw5 h TRP 50 CO -0.00 -0.46 0.15 0.74 -2.79 0.00 0.00 178.44 176.07 1bw5 h PHE 51 N -0.67 0.22 0.00 2.65 0.04 -1.61 0.15 116.94 117.71 1bw5 h PHE 51 Ca -0.03 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1bw5 h PHE 51 Cb 0.60 0.02 0.00 0.00 2.20 0.00 0.00 35.95 38.78 1bw5 h PHE 51 CO -0.25 -0.14 0.00 0.94 -0.60 0.00 0.00 178.31 178.25 1bw5 n GLN 52 N -5.21 0.00 -0.27 1.51 7.27 -1.03 -2.35 117.38 117.30 1bw5 n GLN 52 Ca 0.15 0.23 0.18 0.00 0.07 0.00 0.00 57.00 57.63 1bw5 n GLN 52 Cb 0.51 -0.93 0.47 0.00 2.41 0.00 0.00 30.24 32.70 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 0.49 -1.04 1.69 7.08 -1.49 -1.83 115.58 120.48 1bw5 h ASN 53 Ca 0.00 0.05 0.36 0.00 -3.08 0.00 0.00 56.30 53.63 1bw5 h ASN 53 Cb 0.00 -0.04 -0.15 0.00 -2.08 0.00 0.00 38.32 36.05 1bw5 h ASN 53 CO 0.00 0.19 0.59 0.50 -2.08 0.00 0.00 177.43 176.64 1bw5 h LYS 54 N 0.49 0.21 -0.12 4.14 1.63 -0.57 -1.25 116.57 121.11 1bw5 h LYS 54 Ca 0.49 -0.01 0.04 0.00 -0.85 0.00 0.00 60.65 60.32 1bw5 h LYS 54 Cb 1.10 -0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 32.62 1bw5 h LYS 54 CO -0.21 0.14 -0.38 -0.09 -3.45 0.00 0.00 179.45 175.46 1bw5 h ARG 55 N 0.22 -0.44 -0.45 1.90 9.65 -1.09 0.07 114.38 124.24 1bw5 h ARG 55 Ca 0.77 0.03 0.09 0.00 -1.10 0.00 0.00 59.98 59.77 1bw5 h ARG 55 Cb 1.92 0.10 -0.09 0.00 -1.39 0.00 0.00 29.97 30.50 1bw5 h ARG 55 CO -0.62 -0.29 -0.22 0.00 2.80 0.00 0.00 179.97 181.64 1bw5 h LYS 57 N -0.12 0.98 0.00 0.00 1.63 -1.52 -2.08 116.57 115.45 1bw5 h LYS 57 Ca 0.21 -0.19 -0.01 0.00 -0.85 0.00 0.00 60.65 59.81 1bw5 h LYS 57 Cb 0.46 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 31.93 1bw5 h LYS 57 CO -0.53 0.84 -0.06 0.22 -3.45 0.00 0.00 179.45 176.48 1bw5 h ASP 58 N 0.92 0.00 -5.48 4.20 3.58 0.60 -3.45 116.42 116.78 1bw5 h ASP 58 Ca 0.21 0.00 -0.27 0.00 0.42 0.00 0.00 57.03 57.39 1bw5 h ASP 58 Cb 0.25 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 41.13 1bw5 h ASP 58 CO -0.01 0.06 -0.40 1.17 -2.88 0.00 0.00 179.24 177.18 1bw5 n LYS 59 N -3.96 -1.68 -3.53 0.28 4.81 0.22 -0.82 118.16 113.48 1bw5 n LYS 59 Ca -0.03 0.06 -0.25 0.00 -0.87 0.00 0.00 58.31 57.23 1bw5 n LYS 59 Cb 0.14 -3.87 0.05 0.00 0.02 0.00 0.00 35.03 31.37 1bw5 n LYS 59 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1bw5 n LYS 60 N -2.82 -2.01 -3.42 1.64 4.01 -1.26 -4.95 118.16 109.36 1bw5 n LYS 60 Ca 0.05 0.62 -0.39 0.00 -0.51 0.00 0.00 58.31 58.09 1bw5 n LYS 60 Cb 0.40 -4.85 -0.09 0.00 -0.51 0.00 0.00 35.03 29.98 1bw5 n LYS 60 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 1bw5 s ARG 61 N -5.41 4.07 0.00 1.97 3.52 0.00 -4.83 118.95 118.26 1bw5 s ARG 61 Ca 0.42 0.06 0.00 0.00 -0.13 0.00 0.00 55.73 56.07 1bw5 s ARG 61 Cb -0.11 -3.61 0.00 0.00 -1.56 0.00 0.00 34.95 29.67 1bw5 s ARG 61 CO 0.81 -0.18 0.00 0.43 -0.81 0.00 0.00 175.30 175.56 1bw5 n SER 62 N 4.99 0.00 -4.64 -2.12 7.64 -1.26 -5.13 113.62 113.09 1bw5 n SER 62 Ca -0.09 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.42 1bw5 n SER 62 Cb 0.51 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.61 1bw5 n SER 62 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1bw5 s ILE 63 N 0.00 5.32 -0.32 0.44 1.01 -1.26 -5.06 121.20 121.33 1bw5 s ILE 63 Ca 0.00 0.25 -0.13 0.00 0.00 0.00 0.00 60.65 60.76 1bw5 s ILE 63 Cb 0.00 -3.54 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 1bw5 s ILE 63 CO 0.00 0.30 0.28 -0.04 0.00 0.00 0.00 174.94 175.49 1bw5 s MET 64 N 1.30 3.65 0.20 2.79 -1.94 -1.26 -4.86 119.30 119.19 1bw5 s MET 64 Ca 0.09 -0.44 0.00 0.00 -1.71 0.00 0.00 55.69 53.62 1bw5 s MET 64 Cb -0.14 -3.76 0.00 0.00 2.01 0.00 0.00 34.83 32.93 1bw5 s MET 64 CO 0.07 -0.40 0.00 -0.12 -0.01 0.00 0.00 175.02 174.55 1bw5 n MET 65 N 5.21 -4.51 0.00 2.03 0.00 -1.26 -5.37 117.12 113.22 1bw5 n MET 65 Ca -0.11 3.28 0.03 0.00 -0.00 0.00 0.00 57.70 60.89 1bw5 n MET 65 Cb 0.50 -3.46 0.02 0.00 0.00 0.00 0.00 33.22 30.28 1bw5 n MET 65 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60