#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 0.49 -1.92 0.03 5.02 -1.26 -4.87 118.16 115.65 1bw5 n LYS 2 Ca 0.00 0.02 -0.19 0.00 -2.02 0.00 0.00 58.31 56.12 1bw5 n LYS 2 Cb 0.00 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.46 1bw5 n LYS 2 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1bw5 n THR 3 N -1.23 -0.41 -1.42 -0.18 -1.04 -1.26 -4.66 114.28 104.09 1bw5 n THR 3 Ca 0.15 0.00 0.17 0.00 -2.04 0.00 0.00 64.05 62.33 1bw5 n THR 3 Cb 0.20 -2.29 -0.09 0.00 -1.82 0.00 0.00 70.33 66.33 1bw5 n THR 3 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1bw5 n THR 4 N -3.14 -0.65 -1.27 12.58 -1.04 -1.26 -4.83 114.28 114.66 1bw5 n THR 4 Ca -0.21 0.80 -0.30 0.00 -2.04 0.00 0.00 64.05 62.30 1bw5 n THR 4 Cb 0.65 -1.28 0.12 0.00 -1.82 0.00 0.00 70.33 68.00 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 -3.97 1.65 -0.39 -2.82 0.52 -1.26 -5.00 118.95 107.69 1bw5 s ARG 5 Ca 0.00 0.89 -0.14 0.00 -0.52 0.00 0.00 55.73 55.97 1bw5 s ARG 5 Cb 0.00 -1.85 0.01 0.00 0.52 0.00 0.00 34.95 33.64 1bw5 s ARG 5 CO 0.00 -1.99 0.27 0.54 0.02 0.00 0.00 175.30 174.14 1bw5 s VAL 6 N -2.95 5.11 -0.96 3.52 0.11 -1.26 -4.98 120.40 118.99 1bw5 s VAL 6 Ca 0.62 -0.62 -0.01 0.00 -2.93 0.00 0.00 61.98 59.05 1bw5 s VAL 6 Cb -0.17 -3.80 0.31 0.00 -1.53 0.00 0.00 36.38 31.19 1bw5 s VAL 6 CO 0.56 -0.23 1.52 0.54 -3.33 0.00 0.00 175.10 174.16 1bw5 n ARG 7 N 5.11 4.63 -1.88 1.54 1.74 -1.26 -5.03 116.66 121.51 1bw5 n ARG 7 Ca -0.12 -4.66 -0.40 0.00 -0.77 0.00 0.00 57.85 51.90 1bw5 n ARG 7 Cb 0.47 -2.44 0.00 0.00 -1.02 0.00 0.00 32.46 29.48 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1bw5 s THR 8 N -3.70 2.24 -0.30 0.55 2.01 -1.26 -4.95 115.64 110.23 1bw5 s THR 8 Ca 0.38 0.23 0.19 0.00 0.31 0.00 0.00 61.69 62.80 1bw5 s THR 8 Cb 0.15 -3.14 0.47 0.00 0.01 0.00 0.00 72.50 69.99 1bw5 s THR 8 CO -0.04 0.04 1.03 1.33 -0.69 0.00 0.00 174.62 176.29 1bw5 n VAL 9 N 0.24 1.02 -3.06 3.82 0.24 -1.26 -5.10 118.33 114.23 1bw5 n VAL 9 Ca 0.03 -2.90 -0.39 0.00 -2.04 0.00 0.00 64.34 59.04 1bw5 n VAL 9 Cb 0.41 0.90 -0.06 0.00 -1.47 0.00 0.00 33.84 33.62 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 -3.37 4.52 0.00 1.34 2.01 -1.26 -5.02 118.68 116.90 1bw5 s LEU 10 Ca 0.26 1.47 0.00 0.00 0.01 0.00 0.00 54.13 55.87 1bw5 s LEU 10 Cb 0.41 -3.16 0.00 0.00 0.01 0.00 0.00 46.19 43.45 1bw5 s LEU 10 CO 0.00 0.16 0.00 -0.46 1.01 0.00 0.00 176.35 177.06 1bw5 n ASN 11 N 2.08 0.00 0.12 2.29 6.94 -1.26 -4.97 115.26 120.46 1bw5 n ASN 11 Ca -0.06 -0.49 0.19 0.00 -0.02 0.00 0.00 54.58 54.20 1bw5 n ASN 11 Cb 0.50 0.00 0.70 0.00 -2.36 0.00 0.00 39.78 38.61 1bw5 n ASN 11 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1bw5 h GLU 12 N 0.00 0.00 0.00 -3.83 4.81 -1.98 -1.79 114.58 111.79 1bw5 h GLU 12 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1bw5 h GLU 12 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1bw5 h GLU 12 CO 0.00 0.00 0.00 1.63 -0.73 0.00 0.00 179.01 179.91 1bw5 n LYS 13 N -3.43 0.00 -0.26 1.92 5.02 -1.26 -3.53 118.16 116.61 1bw5 n LYS 13 Ca 0.07 0.13 -0.07 0.00 -2.02 0.00 0.00 58.31 56.42 1bw5 n LYS 13 Cb 0.69 -0.83 0.05 0.00 -0.02 0.00 0.00 35.03 34.92 1bw5 n LYS 13 CO 0.00 0.00 0.00 1.96 -0.52 0.00 0.00 177.40 178.84 1bw5 h GLN 14 N 0.00 1.16 -0.87 1.97 4.20 -1.95 -3.12 115.11 116.50 1bw5 h GLN 14 Ca 0.00 -0.27 0.08 0.00 0.06 0.00 0.00 58.65 58.52 1bw5 h GLN 14 Cb 0.00 -0.16 -0.07 0.00 0.30 0.00 0.00 27.48 27.55 1bw5 h GLN 14 CO 0.00 1.00 0.53 1.25 -0.67 0.00 0.00 178.83 180.94 1bw5 h LEU 15 N 1.10 0.80 -0.06 1.46 5.85 -1.52 -3.00 115.31 119.94 1bw5 h LEU 15 Ca 0.23 0.03 0.03 0.00 0.84 0.00 0.00 57.88 59.02 1bw5 h LEU 15 Cb 0.35 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 1bw5 h LEU 15 CO -0.00 0.48 -0.45 -0.74 -0.34 0.00 0.00 178.44 177.39 1bw5 h HIS 16 N 0.92 -1.29 0.15 1.25 2.76 -1.58 -0.44 115.15 116.92 1bw5 h HIS 16 Ca 0.40 0.05 0.01 0.00 -2.20 0.00 0.00 60.37 58.63 1bw5 h HIS 16 Cb 0.28 0.57 -0.05 0.00 1.55 0.00 0.00 27.41 29.77 1bw5 h HIS 16 CO -0.04 -0.51 -0.49 1.15 -1.30 0.00 0.00 177.93 176.74 1bw5 h THR 17 N -0.56 0.05 -0.95 6.26 2.02 -1.67 -1.74 112.91 116.32 1bw5 h THR 17 Ca 0.05 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.39 1bw5 h THR 17 Cb 0.66 0.05 -0.08 0.00 -1.74 0.00 0.00 68.15 67.04 1bw5 h THR 17 CO -0.37 0.00 0.60 -0.07 0.37 0.00 0.00 175.52 176.06 1bw5 h LEU 18 N -0.75 0.72 -0.83 2.58 3.38 -1.50 -2.39 115.31 116.53 1bw5 h LEU 18 Ca -0.00 0.06 0.21 0.00 0.09 0.00 0.00 57.88 58.23 1bw5 h LEU 18 Cb 0.75 -0.08 -0.13 0.00 0.09 0.00 0.00 40.66 41.28 1bw5 h LEU 18 CO -0.26 0.33 0.16 -0.09 0.09 0.00 0.00 178.44 178.68 1bw5 h ARG 19 N 0.75 0.19 -0.58 1.13 2.43 -0.12 -0.20 114.38 117.96 1bw5 h ARG 19 Ca 0.50 -0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.56 1bw5 h ARG 19 Cb 0.78 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 1bw5 h ARG 19 CO -0.26 0.12 -0.02 1.79 -1.51 0.00 0.00 179.97 180.09 1bw5 h THR 20 N 0.19 1.26 0.55 0.20 1.35 -1.44 -2.82 112.91 112.20 1bw5 h THR 20 Ca 0.50 -1.16 -0.03 0.00 -0.55 0.00 0.00 66.41 65.17 1bw5 h THR 20 Cb 0.95 0.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.20 1bw5 h THR 20 CO -0.64 0.42 -0.30 0.00 -0.25 0.00 0.00 175.52 174.75 1bw5 h TYR 22 N -0.78 0.86 -0.13 0.00 5.03 -1.54 0.58 116.97 120.99 1bw5 h TYR 22 Ca -0.07 0.03 0.04 0.00 2.58 0.00 0.00 58.73 61.31 1bw5 h TYR 22 Cb 0.61 -0.24 -0.05 0.00 1.55 0.00 0.00 36.73 38.60 1bw5 h TYR 22 CO 0.03 -0.00 -0.18 0.00 -1.32 0.00 0.00 178.16 176.69 1bw5 h ALA 23 N 1.71 -0.11 -0.28 1.82 0.00 -1.22 -2.55 119.26 118.63 1bw5 h ALA 23 Ca 0.66 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.62 1bw5 h ALA 23 Cb 1.49 0.36 0.00 0.00 0.00 0.00 0.00 17.79 19.64 1bw5 h ALA 23 CO -0.44 -0.63 0.00 0.00 0.00 0.00 0.00 179.25 178.17 1bw5 n ALA 24 N -2.63 2.45 -2.96 0.00 0.00 -0.33 -4.71 120.51 112.34 1bw5 n ALA 24 Ca -0.03 -0.84 -0.01 0.00 0.00 0.00 0.00 53.44 52.56 1bw5 n ALA 24 Cb 0.24 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.59 -1.39 0.00 0.00 -0.87 0.19 -4.99 114.94 106.29 1bw5 s ASN 25 Ca 0.36 -1.17 0.23 0.00 -1.57 0.00 0.00 52.86 50.71 1bw5 s ASN 25 Cb 0.21 1.80 1.36 0.00 -0.02 0.00 0.00 41.25 44.60 1bw5 s ASN 25 CO 0.30 -0.10 1.75 -0.81 -2.57 0.00 0.00 177.10 175.67 1bw5 n PRO 26 N 3.63 0.77 -3.19 -0.60 -0.04 -1.10 -3.83 135.00 130.64 1bw5 n PRO 26 Ca 0.14 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.52 1bw5 n PRO 26 Cb 0.57 -1.46 -0.03 0.00 -0.04 0.00 0.00 33.50 32.54 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 -2.00 0.82 0.37 0.54 3.52 -1.26 -5.06 118.95 115.88 1bw5 s ARG 27 Ca 0.34 -0.73 -0.05 0.00 -0.13 0.00 0.00 55.73 55.16 1bw5 s ARG 27 Cb 0.16 -0.29 0.08 0.00 -1.56 0.00 0.00 34.95 33.34 1bw5 s ARG 27 CO 0.26 -1.23 0.51 -0.35 -0.81 0.00 0.00 175.30 173.68 1bw5 n PRO 28 N 3.98 -0.29 -1.08 5.12 -0.04 -1.26 -5.11 135.00 136.32 1bw5 n PRO 28 Ca 0.14 -0.93 -0.00 0.00 -0.04 0.00 0.00 63.50 62.67 1bw5 n PRO 28 Cb 0.52 -0.48 0.00 0.00 -0.04 0.00 0.00 33.50 33.51 1bw5 n PRO 28 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1bw5 n ASP 29 N -3.24 -0.06 -0.15 3.54 8.00 -1.26 -4.99 116.55 118.39 1bw5 n ASP 29 Ca 0.07 -1.04 0.28 0.00 0.71 0.00 0.00 54.79 54.81 1bw5 n ASP 29 Cb 0.24 0.10 0.61 0.00 -0.02 0.00 0.00 41.12 42.05 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 1.99 2.74 -3.00 2.24 0.00 -1.99 -1.31 119.26 119.93 1bw5 h ALA 30 Ca -0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bw5 h ALA 30 Cb 0.03 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1bw5 h ALA 30 CO 0.01 -1.37 0.00 -0.11 0.00 0.00 0.00 179.25 177.78 1bw5 n LEU 31 N -3.56 0.33 0.27 0.00 7.94 -1.26 -3.82 117.00 116.91 1bw5 n LEU 31 Ca 0.19 0.27 0.12 0.00 -1.11 0.00 0.00 56.01 55.49 1bw5 n LEU 31 Cb 1.21 0.00 0.78 0.00 0.53 0.00 0.00 43.42 45.94 1bw5 n LEU 31 CO 0.28 0.00 1.04 0.24 -1.11 0.00 0.00 177.39 177.84 1bw5 h MET 32 N 0.00 0.00 -1.16 1.96 2.86 -1.96 -2.83 114.93 113.80 1bw5 h MET 32 Ca 0.00 0.00 0.34 0.00 -2.06 0.00 0.00 59.70 57.98 1bw5 h MET 32 Cb 0.00 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.56 1bw5 h MET 32 CO 0.00 0.06 0.75 0.87 1.06 0.00 0.00 176.91 179.66 1bw5 h LYS 33 N 0.00 0.24 0.65 1.72 1.57 -1.34 0.33 116.57 119.74 1bw5 h LYS 33 Ca -0.00 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1bw5 h LYS 33 Cb 0.15 -0.05 0.01 0.00 0.08 0.00 0.00 32.23 32.42 1bw5 h LYS 33 CO 0.01 0.16 -0.31 1.49 -0.57 0.00 0.00 179.45 180.22 1bw5 h GLU 34 N 0.25 -0.85 -0.15 3.15 4.81 -1.60 -3.06 114.58 117.13 1bw5 h GLU 34 Ca 0.68 0.06 0.04 0.00 -0.13 0.00 0.00 59.36 60.01 1bw5 h GLU 34 Cb 1.98 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 31.54 1bw5 h GLU 34 CO -0.32 -0.56 0.11 1.96 -0.73 0.00 0.00 179.01 179.46 1bw5 h GLN 35 N -1.16 0.02 -0.82 1.92 4.20 -1.39 -1.28 115.11 116.60 1bw5 h GLN 35 Ca -0.09 -0.00 0.22 0.00 0.06 0.00 0.00 58.65 58.83 1bw5 h GLN 35 Cb 0.67 -0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.40 1bw5 h GLN 35 CO 0.15 0.02 0.57 -0.07 -0.67 0.00 0.00 178.83 178.83 1bw5 h LEU 36 N 0.02 0.16 0.27 1.46 -0.00 -0.30 -1.09 115.31 115.84 1bw5 h LEU 36 Ca 0.07 0.02 -0.01 0.00 -0.00 0.00 0.00 57.88 57.95 1bw5 h LEU 36 Cb 0.25 -0.01 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 1bw5 h LEU 36 CO -0.00 0.07 -0.14 0.58 -0.00 0.00 0.00 178.44 178.94 1bw5 h VAL 37 N 0.16 0.71 -0.15 1.22 2.07 -1.25 -2.57 116.25 116.44 1bw5 h VAL 37 Ca 0.41 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.94 1bw5 h VAL 37 Cb 1.35 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1bw5 h VAL 37 CO -0.07 0.00 0.10 -0.08 0.02 0.00 0.00 177.57 177.54 1bw5 h GLU 38 N -0.38 0.16 0.41 1.57 4.57 -1.36 1.04 114.58 120.59 1bw5 h GLU 38 Ca -0.04 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1bw5 h GLU 38 Cb 0.30 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.83 1bw5 h GLU 38 CO 0.05 0.11 -0.40 0.52 -1.18 0.00 0.00 179.01 178.11 1bw5 h MET 39 N 0.17 -0.77 -0.00 1.92 2.86 -1.11 -3.18 114.93 114.81 1bw5 h MET 39 Ca 0.06 0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1bw5 h MET 39 Cb 0.04 0.18 0.00 0.00 0.06 0.00 0.00 31.60 31.87 1bw5 h MET 39 CO -0.01 -0.52 -0.72 -2.37 1.06 0.00 0.00 176.91 174.35 1bw5 n THR 40 N -4.83 0.00 0.00 2.22 5.66 -1.17 -4.94 114.28 111.22 1bw5 n THR 40 Ca -0.10 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.87 1bw5 n THR 40 Cb 0.37 0.71 0.00 0.00 -1.55 0.00 0.00 70.33 69.85 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 2.34 3.83 1.09 0.00 0.36 -4.98 105.19 109.31 1bw5 n GLY 41 Ca 0.06 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 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 2.19 1.17 0.99 1.02 -1.24 -4.92 118.68 117.89 1bw5 s LEU 42 Ca 0.00 0.88 -0.19 0.00 0.02 0.00 0.00 54.13 54.84 1bw5 s LEU 42 Cb 0.00 -3.25 0.27 0.00 0.02 0.00 0.00 46.19 43.24 1bw5 s LEU 42 CO 0.00 -2.34 1.13 -0.44 0.02 0.00 0.00 176.35 174.72 1bw5 s SER 43 N -4.25 1.24 0.40 2.29 0.01 -1.26 -4.74 113.70 107.40 1bw5 s SER 43 Ca 0.63 0.61 0.25 0.00 1.31 0.00 0.00 55.95 58.75 1bw5 s SER 43 Cb -0.13 -0.84 0.58 0.00 0.21 0.00 0.00 66.02 65.84 1bw5 s SER 43 CO 0.52 -3.92 1.69 1.55 0.41 0.00 0.00 173.24 173.49 1bw5 h PRO 44 N -2.45 0.00 0.06 12.44 0.13 -1.96 -3.36 132.00 136.86 1bw5 h PRO 44 Ca -0.45 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.69 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 0.35 0.00 -0.50 0.00 -0.23 0.00 0.00 178.00 177.62 1bw5 h ARG 45 N 0.00 -0.65 -0.32 0.86 3.08 -2.01 -1.96 114.38 113.38 1bw5 h ARG 45 Ca 0.00 0.04 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 1bw5 h ARG 45 Cb 0.87 0.15 -0.02 0.00 0.08 0.00 0.00 29.97 31.05 1bw5 h ARG 45 CO 0.00 -0.44 0.08 0.28 -1.07 0.00 0.00 179.97 178.83 1bw5 h VAL 46 N -0.68 1.15 0.80 2.04 2.07 -1.97 -3.17 116.25 116.50 1bw5 h VAL 46 Ca 0.00 -0.51 -0.04 0.00 0.82 0.00 0.00 66.70 66.98 1bw5 h VAL 46 Cb 0.70 0.82 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 1bw5 h VAL 46 CO -0.30 0.18 -0.45 0.40 0.02 0.00 0.00 177.57 177.43 1bw5 h ILE 47 N 0.45 0.00 -0.04 4.57 1.08 -1.53 -0.43 117.51 121.61 1bw5 h ILE 47 Ca 0.11 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.60 1bw5 h ILE 47 Cb 0.16 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.87 1bw5 h ILE 47 CO -0.01 0.00 -0.41 -0.09 -0.69 0.00 0.00 178.15 176.95 1bw5 h ARG 48 N -1.15 -0.47 -0.08 2.37 2.43 -1.36 -1.72 114.38 114.41 1bw5 h ARG 48 Ca -0.11 0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.12 1bw5 h ARG 48 Cb 0.91 0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.56 1bw5 h ARG 48 CO 0.14 -0.31 0.06 -0.24 -1.51 0.00 0.00 179.97 178.11 1bw5 h VAL 49 N -0.49 0.94 0.12 0.20 3.04 -1.60 -3.22 116.25 115.26 1bw5 h VAL 49 Ca 0.02 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.71 1bw5 h VAL 49 Cb 0.54 0.96 -0.01 0.00 -2.01 0.00 0.00 31.29 30.77 1bw5 h VAL 49 CO -0.30 0.00 -0.21 -0.25 -1.01 0.00 0.00 177.57 175.80 1bw5 h TRP 50 N 0.00 -0.59 -0.65 3.17 7.01 -0.10 -2.03 115.95 122.76 1bw5 h TRP 50 Ca 0.04 0.01 0.13 0.00 2.11 0.00 0.00 58.89 61.18 1bw5 h TRP 50 Cb 0.15 0.24 -0.10 0.00 -2.10 0.00 0.00 29.16 27.35 1bw5 h TRP 50 CO 0.00 -0.26 0.10 0.74 -2.79 0.00 0.00 178.44 176.24 1bw5 h PHE 51 N -0.35 0.14 -0.01 2.65 0.04 -1.58 -1.98 116.94 115.85 1bw5 h PHE 51 Ca -0.01 0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.81 1bw5 h PHE 51 Cb 0.33 0.04 -0.03 0.00 2.20 0.00 0.00 35.95 38.49 1bw5 h PHE 51 CO -0.25 -0.09 -0.24 0.37 -0.60 0.00 0.00 178.31 177.49 1bw5 h GLN 52 N 0.21 -0.28 -0.54 1.51 -0.00 -1.53 -2.34 115.11 112.14 1bw5 h GLN 52 Ca 0.35 0.02 0.11 0.00 -0.00 0.00 0.00 58.65 59.13 1bw5 h GLN 52 Cb 0.56 0.06 -0.10 0.00 0.00 0.00 0.00 27.48 28.01 1bw5 h GLN 52 CO -0.48 -0.19 -0.07 -0.97 0.00 0.00 0.00 178.83 177.12 1bw5 h ASN 53 N -0.29 -0.38 -0.86 -0.69 -0.73 -1.11 -2.06 115.58 109.45 1bw5 h ASN 53 Ca 0.01 0.15 0.15 0.00 1.87 0.00 0.00 56.30 58.48 1bw5 h ASN 53 Cb 0.32 0.29 -0.15 0.00 0.27 0.00 0.00 38.32 39.05 1bw5 h ASN 53 CO -0.17 -0.14 -0.32 0.11 -0.37 0.00 0.00 177.43 176.54 1bw5 h LYS 54 N 0.05 -0.04 -0.77 6.67 1.79 -0.84 0.54 116.57 123.96 1bw5 h LYS 54 Ca 0.27 0.00 0.18 0.00 -2.18 0.00 0.00 60.65 58.92 1bw5 h LYS 54 Cb 0.42 0.01 -0.13 0.00 -1.58 0.00 0.00 32.23 30.94 1bw5 h LYS 54 CO -0.51 -0.03 0.02 -0.09 -1.08 0.00 0.00 179.45 177.76 1bw5 h ARG 55 N -0.04 0.11 0.32 3.15 2.43 -0.97 0.71 114.38 120.09 1bw5 h ARG 55 Ca 0.35 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.51 1bw5 h ARG 55 Cb 0.61 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 1bw5 h ARG 55 CO -0.89 0.07 -0.37 0.00 -1.51 0.00 0.00 179.97 177.27 1bw5 h LYS 57 N -0.73 0.00 0.00 0.00 1.57 -1.08 -3.44 116.57 112.89 1bw5 h LYS 57 Ca -0.02 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1bw5 h LYS 57 Cb 0.67 0.00 0.05 0.00 0.08 0.00 0.00 32.23 33.03 1bw5 h LYS 57 CO -0.10 0.19 -0.01 -3.47 -0.57 0.00 0.00 179.45 175.49 1bw5 n ASP 58 N -3.80 -1.95 0.00 0.86 2.03 0.24 -4.05 116.55 109.87 1bw5 n ASP 58 Ca -0.02 -0.39 0.00 0.00 0.52 0.00 0.00 54.79 54.91 1bw5 n ASP 58 Cb 0.29 -0.22 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 1bw5 n ASP 58 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 1bw5 n LYS 59 N -2.59 0.00 -1.56 -0.67 4.81 -1.26 -4.72 118.16 112.18 1bw5 n LYS 59 Ca 0.03 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.34 1bw5 n LYS 59 Cb 0.13 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.07 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 0.00 0.14 0.09 1.64 4.76 -1.26 -3.36 118.16 120.17 1bw5 n LYS 60 Ca 0.00 -1.55 0.00 0.00 -2.87 0.00 0.00 58.31 53.89 1bw5 n LYS 60 Cb 0.00 -3.81 0.00 0.00 -1.84 0.00 0.00 35.03 29.38 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 8.07 0.00 -3.04 1.97 0.63 -1.26 -5.09 116.66 117.93 1bw5 n ARG 61 Ca 0.40 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.97 1bw5 n ARG 61 Cb 0.47 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.31 1bw5 n ARG 61 CO 0.00 0.00 0.00 -1.12 -2.51 0.00 0.00 177.63 174.00 1bw5 s SER 62 N -1.92 7.09 -0.35 6.15 0.01 -1.21 -5.03 113.70 118.43 1bw5 s SER 62 Ca 0.00 1.49 -0.17 0.00 1.31 0.00 0.00 55.95 58.58 1bw5 s SER 62 Cb 0.00 -2.45 -0.01 0.00 0.21 0.00 0.00 66.02 63.78 1bw5 s SER 62 CO 0.00 -0.00 0.46 -0.63 0.41 0.00 0.00 173.24 173.47 1bw5 s ILE 63 N -1.57 5.07 0.03 1.44 1.01 -1.26 -5.04 121.20 120.88 1bw5 s ILE 63 Ca 0.45 0.22 -0.30 0.00 0.00 0.00 0.00 60.65 61.02 1bw5 s ILE 63 Cb -0.17 -3.91 -0.07 0.00 0.01 0.00 0.00 42.46 38.33 1bw5 s ILE 63 CO 0.21 -0.17 1.49 -0.04 0.00 0.00 0.00 174.94 176.43 1bw5 s MET 64 N 2.25 4.25 -0.37 2.79 -1.94 -1.26 -4.98 119.30 120.05 1bw5 s MET 64 Ca 0.16 2.10 -0.10 0.00 -1.71 0.00 0.00 55.69 56.14 1bw5 s MET 64 Cb -0.16 -3.57 0.03 0.00 2.01 0.00 0.00 34.83 33.15 1bw5 s MET 64 CO 0.13 -0.63 0.18 -1.64 -0.01 0.00 0.00 175.02 173.05 1bw5 s MET 65 N 2.42 2.76 0.00 2.03 -1.94 -1.26 -5.29 119.30 118.02 1bw5 s MET 65 Ca 0.67 -1.12 0.11 0.00 -1.71 0.00 0.00 55.69 53.64 1bw5 s MET 65 Cb -0.35 -3.67 0.08 0.00 2.01 0.00 0.00 34.83 32.91 1bw5 s MET 65 CO 0.29 -0.70 0.84 1.63 -0.01 0.00 0.00 175.02 177.06