#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 -0.29 2.12 1.02 -1.26 -5.07 119.74 119.92 1bw5 s LYS 2 Ca 0.00 0.01 -0.09 0.00 0.02 0.00 0.00 55.97 55.91 1bw5 s LYS 2 Cb 0.00 -2.96 -0.01 0.00 -0.52 0.00 0.00 37.83 34.33 1bw5 s LYS 2 CO 0.00 0.55 0.13 0.95 -0.92 0.00 0.00 175.35 176.05 1bw5 s THR 3 N -1.47 4.53 -0.31 2.17 -4.23 -1.26 -4.95 115.64 110.10 1bw5 s THR 3 Ca 0.35 -0.33 0.08 0.00 -1.18 0.00 0.00 61.69 60.60 1bw5 s THR 3 Cb -0.13 -3.25 0.51 0.00 1.34 0.00 0.00 72.50 70.97 1bw5 s THR 3 CO 0.20 0.15 1.48 0.35 -0.54 0.00 0.00 174.62 176.27 1bw5 n THR 4 N 4.96 2.62 -1.23 3.99 -2.24 -1.26 -5.03 114.28 116.10 1bw5 n THR 4 Ca -0.15 -2.87 -0.30 0.00 -2.27 0.00 0.00 64.05 58.47 1bw5 n THR 4 Cb 0.50 -0.42 0.14 0.00 -2.10 0.00 0.00 70.33 68.44 1bw5 n THR 4 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1bw5 s ARG 5 N -3.31 1.24 -0.90 -0.78 3.52 -1.26 -4.80 118.95 112.66 1bw5 s ARG 5 Ca 0.46 0.78 -0.26 0.00 -0.13 0.00 0.00 55.73 56.58 1bw5 s ARG 5 Cb 0.42 -1.81 -0.18 0.00 -1.56 0.00 0.00 34.95 31.81 1bw5 s ARG 5 CO -0.00 -2.24 2.27 1.55 -0.81 0.00 0.00 175.30 176.07 1bw5 n VAL 6 N -3.88 0.00 0.00 7.11 3.14 -1.26 -4.68 118.33 118.77 1bw5 n VAL 6 Ca 0.07 -0.30 0.04 0.00 -2.96 0.00 0.00 64.34 61.19 1bw5 n VAL 6 Cb 0.56 -1.93 0.21 0.00 -1.06 0.00 0.00 33.84 31.62 1bw5 n VAL 6 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 1bw5 n ARG 7 N 8.42 3.06 -3.32 1.45 5.12 -1.26 -4.91 116.66 125.21 1bw5 n ARG 7 Ca 0.44 -1.67 -0.29 0.00 -1.93 0.00 0.00 57.85 54.40 1bw5 n ARG 7 Cb 0.44 -1.90 -0.04 0.00 -1.16 0.00 0.00 32.46 29.80 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1bw5 s THR 8 N -1.93 5.00 -0.44 0.55 2.01 -1.26 -5.01 115.64 114.55 1bw5 s THR 8 Ca 0.29 0.16 0.05 0.00 0.31 0.00 0.00 61.69 62.50 1bw5 s THR 8 Cb 0.22 -3.71 0.43 0.00 0.01 0.00 0.00 72.50 69.45 1bw5 s THR 8 CO 0.08 -0.29 1.22 1.33 -0.69 0.00 0.00 174.62 176.28 1bw5 n VAL 9 N -0.81 2.54 -2.55 3.82 0.24 -1.26 -5.02 118.33 115.29 1bw5 n VAL 9 Ca -0.01 -4.64 -0.42 0.00 -2.04 0.00 0.00 64.34 57.22 1bw5 n VAL 9 Cb 0.54 -1.23 -0.02 0.00 -1.47 0.00 0.00 33.84 31.65 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 -3.60 3.50 0.57 1.34 2.01 -1.26 -5.01 118.68 116.22 1bw5 s LEU 10 Ca 0.50 0.27 -0.01 0.00 0.01 0.00 0.00 54.13 54.89 1bw5 s LEU 10 Cb 0.41 -3.28 0.03 0.00 0.01 0.00 0.00 46.19 43.35 1bw5 s LEU 10 CO -0.14 -1.44 0.82 0.20 1.01 0.00 0.00 176.35 176.79 1bw5 s ASN 11 N 3.04 5.32 0.56 2.29 0.01 -1.26 -4.89 114.94 120.02 1bw5 s ASN 11 Ca 0.46 0.22 0.32 0.00 -0.71 0.00 0.00 52.86 53.15 1bw5 s ASN 11 Cb -0.08 -1.13 1.46 0.00 0.41 0.00 0.00 41.25 41.90 1bw5 s ASN 11 CO 0.28 -1.14 1.82 -0.08 -1.51 0.00 0.00 177.10 176.46 1bw5 h GLU 12 N -0.03 0.00 0.46 -0.60 4.81 -2.01 -2.60 114.58 114.61 1bw5 h GLU 12 Ca -0.44 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 58.77 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 0.56 0.00 -0.22 0.87 -0.73 0.00 0.00 179.01 179.49 1bw5 h LYS 13 N 0.00 -0.59 -0.35 1.92 1.57 -2.00 -3.28 116.57 113.84 1bw5 h LYS 13 Ca 0.40 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 59.29 1bw5 h LYS 13 Cb 1.81 0.13 -0.07 0.00 0.08 0.00 0.00 32.23 34.18 1bw5 h LYS 13 CO -0.00 -0.40 -0.09 1.96 -0.57 0.00 0.00 179.45 180.35 1bw5 h GLN 14 N -1.06 -0.01 -1.06 3.15 4.20 -1.84 -1.73 115.11 116.77 1bw5 h GLN 14 Ca -0.06 0.00 0.29 0.00 0.06 0.00 0.00 58.65 58.94 1bw5 h GLN 14 Cb 0.47 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.19 1bw5 h GLN 14 CO 0.10 -0.00 0.73 1.25 -0.67 0.00 0.00 178.83 180.24 1bw5 h LEU 15 N -0.01 0.18 -0.37 1.46 5.85 -1.65 -2.28 115.31 118.49 1bw5 h LEU 15 Ca 0.17 0.03 0.08 0.00 0.84 0.00 0.00 57.88 59.00 1bw5 h LEU 15 Cb 0.26 0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.22 1bw5 h LEU 15 CO -0.37 0.04 -0.19 -0.74 -0.34 0.00 0.00 178.44 176.84 1bw5 h HIS 16 N 0.16 -0.47 0.21 1.25 2.76 -1.36 -0.72 115.15 116.98 1bw5 h HIS 16 Ca 0.54 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.75 1bw5 h HIS 16 Cb 1.83 0.26 -0.02 0.00 1.55 0.00 0.00 27.41 31.04 1bw5 h HIS 16 CO -0.00 -0.27 -0.30 1.79 -1.30 0.00 0.00 177.93 177.86 1bw5 h THR 17 N -0.12 0.00 -0.93 6.26 1.35 -1.56 -2.53 112.91 115.37 1bw5 h THR 17 Ca 0.19 0.00 0.18 0.00 -0.55 0.00 0.00 66.41 66.23 1bw5 h THR 17 Cb 0.41 0.00 -0.11 0.00 -1.73 0.00 0.00 68.15 66.72 1bw5 h THR 17 CO -0.45 0.00 0.51 -0.07 -0.25 0.00 0.00 175.52 175.26 1bw5 h LEU 18 N -0.53 0.60 -0.81 3.87 3.38 -1.66 -1.75 115.31 118.42 1bw5 h LEU 18 Ca -0.03 0.11 0.18 0.00 0.09 0.00 0.00 57.88 58.23 1bw5 h LEU 18 Cb 0.48 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 41.13 1bw5 h LEU 18 CO -0.08 0.20 0.30 -0.09 0.09 0.00 0.00 178.44 178.85 1bw5 h ARG 19 N 0.64 0.37 -0.24 1.13 2.43 -0.69 0.02 114.38 118.04 1bw5 h ARG 19 Ca 0.54 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.60 1bw5 h ARG 19 Cb 0.85 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.31 1bw5 h ARG 19 CO -0.41 0.24 -0.22 1.79 -1.51 0.00 0.00 179.97 179.87 1bw5 h THR 20 N 0.38 1.25 0.87 0.20 1.35 -1.19 -3.18 112.91 112.60 1bw5 h THR 20 Ca 0.47 -1.16 -0.04 0.00 -0.55 0.00 0.00 66.41 65.12 1bw5 h THR 20 Cb 0.81 1.31 0.01 0.00 -1.73 0.00 0.00 68.15 68.55 1bw5 h THR 20 CO -0.49 0.37 -0.42 0.00 -0.25 0.00 0.00 175.52 174.73 1bw5 h TYR 22 N -1.26 0.41 0.19 0.00 3.20 -1.52 1.75 116.97 119.75 1bw5 h TYR 22 Ca -0.12 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.80 1bw5 h TYR 22 Cb 0.90 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 39.11 1bw5 h TYR 22 CO -0.00 -0.17 -0.19 0.00 -1.64 0.00 0.00 178.16 176.16 1bw5 h ALA 23 N 1.75 -0.39 -0.01 1.82 0.00 -1.52 -2.93 119.26 117.99 1bw5 h ALA 23 Ca 0.54 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1bw5 h ALA 23 Cb 1.07 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.14 1bw5 h ALA 23 CO -0.61 -0.74 -0.23 0.00 0.00 0.00 0.00 179.25 177.66 1bw5 n ALA 24 N -2.44 3.03 -3.18 0.00 0.00 -0.61 -4.71 120.51 112.60 1bw5 n ALA 24 Ca -0.08 -0.49 0.01 0.00 0.00 0.00 0.00 53.44 52.88 1bw5 n ALA 24 Cb 0.23 -1.03 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 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 -2.35 -1.47 -0.02 0.00 3.84 0.59 -4.99 114.94 110.54 1bw5 s ASN 25 Ca 0.26 -0.71 0.03 0.00 0.21 0.00 0.00 52.86 52.65 1bw5 s ASN 25 Cb 0.19 1.88 0.11 0.00 -0.55 0.00 0.00 41.25 42.89 1bw5 s ASN 25 CO 0.47 -0.17 0.87 -0.81 -2.79 0.00 0.00 177.10 174.68 1bw5 n PRO 26 N 4.41 1.44 -3.26 0.43 -0.04 -1.12 -3.49 135.00 133.38 1bw5 n PRO 26 Ca 0.10 -0.44 -0.05 0.00 -0.04 0.00 0.00 63.50 63.07 1bw5 n PRO 26 Cb 0.57 -1.37 -0.03 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.53 0.70 0.85 0.54 6.06 -1.26 -5.05 118.95 119.25 1bw5 s ARG 27 Ca 0.08 -0.30 -0.12 0.00 -2.50 0.00 0.00 55.73 52.90 1bw5 s ARG 27 Cb 0.05 -0.16 0.19 0.00 0.06 0.00 0.00 34.95 35.10 1bw5 s ARG 27 CO 0.04 -1.16 1.16 -0.35 -2.50 0.00 0.00 175.30 172.48 1bw5 n PRO 28 N 4.58 -0.93 -1.70 5.12 -0.04 -1.26 -5.11 135.00 135.66 1bw5 n PRO 28 Ca 0.09 -2.04 -0.02 0.00 -0.04 0.00 0.00 63.50 61.50 1bw5 n PRO 28 Cb 0.53 -1.11 0.01 0.00 -0.04 0.00 0.00 33.50 32.88 1bw5 n PRO 28 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1bw5 n ASP 29 N -3.59 -0.47 -0.29 3.54 5.75 -1.26 -5.01 116.55 115.23 1bw5 n ASP 29 Ca 0.15 -1.31 0.32 0.00 -0.01 0.00 0.00 54.79 53.95 1bw5 n ASP 29 Cb 0.54 0.78 0.72 0.00 -1.03 0.00 0.00 41.12 42.13 1bw5 n ASP 29 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1bw5 h ALA 30 N 2.00 2.97 -3.00 2.12 0.00 -1.99 -0.67 119.26 120.69 1bw5 h ALA 30 Ca -0.07 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1bw5 h ALA 30 Cb 0.27 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.14 1bw5 h ALA 30 CO 0.09 -1.30 0.00 -0.11 0.00 0.00 0.00 179.25 177.93 1bw5 n LEU 31 N -4.24 1.04 0.28 0.00 7.94 -1.26 -3.76 117.00 117.00 1bw5 n LEU 31 Ca 0.24 0.27 0.13 0.00 -1.11 0.00 0.00 56.01 55.54 1bw5 n LEU 31 Cb 1.14 0.00 0.82 0.00 0.53 0.00 0.00 43.42 45.91 1bw5 n LEU 31 CO 0.39 0.00 1.09 -0.03 -1.11 0.00 0.00 177.39 177.72 1bw5 h MET 32 N 0.00 0.00 -0.67 1.96 4.05 -1.97 -2.89 114.93 115.41 1bw5 h MET 32 Ca 0.00 0.00 0.14 0.00 -0.28 0.00 0.00 59.70 59.56 1bw5 h MET 32 Cb 0.00 0.00 -0.11 0.00 -0.80 0.00 0.00 31.60 30.69 1bw5 h MET 32 CO 0.00 0.02 0.07 -0.22 0.23 0.00 0.00 176.91 177.01 1bw5 h LYS 33 N 0.00 0.17 0.76 0.39 3.64 -1.24 0.63 116.57 120.91 1bw5 h LYS 33 Ca -0.00 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1bw5 h LYS 33 Cb 0.06 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 31.84 1bw5 h LYS 33 CO 0.00 0.11 -0.36 1.49 -2.27 0.00 0.00 179.45 178.42 1bw5 h GLU 34 N 0.17 -0.98 -0.21 1.90 4.57 -1.60 -3.01 114.58 115.43 1bw5 h GLU 34 Ca 0.36 0.07 -0.02 0.00 -1.18 0.00 0.00 59.36 58.59 1bw5 h GLU 34 Cb 0.61 0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.41 1bw5 h GLU 34 CO -0.53 -0.64 0.04 1.96 -1.18 0.00 0.00 179.01 178.67 1bw5 h GLN 35 N -1.11 0.30 -0.93 1.92 7.50 -1.57 -2.84 115.11 118.38 1bw5 h GLN 35 Ca -0.10 -0.04 0.23 0.00 0.50 0.00 0.00 58.65 59.24 1bw5 h GLN 35 Cb 0.80 -0.06 -0.12 0.00 0.05 0.00 0.00 27.48 28.15 1bw5 h GLN 35 CO 0.17 0.29 0.47 -0.07 -1.50 0.00 0.00 178.83 178.19 1bw5 h LEU 36 N 0.30 0.45 -0.21 1.46 3.38 0.40 -1.36 115.31 119.73 1bw5 h LEU 36 Ca 0.07 0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.25 1bw5 h LEU 36 Cb 0.14 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1bw5 h LEU 36 CO -0.00 0.04 -0.23 0.58 0.09 0.00 0.00 178.44 178.91 1bw5 h VAL 37 N 0.46 0.41 -0.89 1.22 2.07 -1.55 -1.74 116.25 116.24 1bw5 h VAL 37 Ca 0.59 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.15 1bw5 h VAL 37 Cb 1.12 0.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.25 1bw5 h VAL 37 CO -0.51 0.00 0.57 -0.08 0.02 0.00 0.00 177.57 177.57 1bw5 h GLU 38 N -0.26 1.06 -0.09 1.57 4.22 -1.43 0.92 114.58 120.57 1bw5 h GLU 38 Ca 0.13 -0.06 -0.02 0.00 0.08 0.00 0.00 59.36 59.48 1bw5 h GLU 38 Cb 0.45 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1bw5 h GLU 38 CO -0.36 0.70 -0.05 1.98 -2.18 0.00 0.00 179.01 179.10 1bw5 h MET 39 N 1.09 0.13 0.00 1.92 4.05 -1.10 -3.16 114.93 117.87 1bw5 h MET 39 Ca 0.36 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.72 1bw5 h MET 39 Cb 0.05 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 1bw5 h MET 39 CO -0.13 0.19 -1.70 -2.37 0.23 0.00 0.00 176.91 173.13 1bw5 n THR 40 N -4.40 0.16 0.00 -0.77 5.66 -0.81 -4.93 114.28 109.19 1bw5 n THR 40 Ca -0.01 -0.37 0.00 0.00 -3.05 0.00 0.00 64.05 60.61 1bw5 n THR 40 Cb 0.17 0.03 0.00 0.00 -1.55 0.00 0.00 70.33 68.98 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 1.78 3.01 3.91 1.09 0.00 0.31 -4.98 105.19 110.31 1bw5 n GLY 41 Ca -0.06 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 44.85 1bw5 n GLY 41 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1bw5 s LEU 42 N 0.00 2.78 1.18 0.99 -0.00 -1.26 -4.88 118.68 117.50 1bw5 s LEU 42 Ca 0.00 0.76 -0.16 0.00 -0.00 0.00 0.00 54.13 54.73 1bw5 s LEU 42 Cb 0.00 -3.42 0.28 0.00 -0.00 0.00 0.00 46.19 43.05 1bw5 s LEU 42 CO 0.00 -1.57 1.04 -0.94 -0.00 0.00 0.00 176.35 174.88 1bw5 s SER 43 N -4.47 0.97 0.50 1.48 1.04 -1.26 -4.69 113.70 107.27 1bw5 s SER 43 Ca 0.59 1.07 0.29 0.00 0.48 0.00 0.00 55.95 58.39 1bw5 s SER 43 Cb -0.11 -1.62 0.96 0.00 0.10 0.00 0.00 66.02 65.34 1bw5 s SER 43 CO 0.48 -4.14 1.83 1.55 0.98 0.00 0.00 173.24 173.94 1bw5 h PRO 44 N -2.59 0.00 -0.39 4.02 0.13 -1.96 -3.30 132.00 127.90 1bw5 h PRO 44 Ca -0.53 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 64.68 1bw5 h PRO 44 Cb 1.33 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.37 1bw5 h PRO 44 CO 0.45 0.02 -0.32 -0.09 -0.23 0.00 0.00 178.00 177.83 1bw5 h ARG 45 N 0.00 -0.24 -0.44 0.86 9.65 -2.02 -0.54 114.38 121.64 1bw5 h ARG 45 Ca -0.00 0.02 -0.07 0.00 -1.10 0.00 0.00 59.98 58.83 1bw5 h ARG 45 Cb 0.71 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.33 1bw5 h ARG 45 CO 0.00 -0.16 -0.01 0.28 2.80 0.00 0.00 179.97 182.88 1bw5 h VAL 46 N -0.25 1.24 -0.08 0.20 2.07 -1.95 -3.18 116.25 114.29 1bw5 h VAL 46 Ca 0.17 -0.98 0.04 0.00 0.82 0.00 0.00 66.70 66.76 1bw5 h VAL 46 Cb 0.54 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 1bw5 h VAL 46 CO -0.53 0.34 -0.28 0.40 0.02 0.00 0.00 177.57 177.52 1bw5 h ILE 47 N 0.68 0.37 -0.02 4.57 1.08 -1.24 -1.55 117.51 121.40 1bw5 h ILE 47 Ca 0.13 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.61 1bw5 h ILE 47 Cb 0.44 0.37 -0.03 0.00 -3.07 0.00 0.00 36.82 34.53 1bw5 h ILE 47 CO 0.02 0.00 -0.23 -0.09 -0.69 0.00 0.00 178.15 177.16 1bw5 h ARG 48 N -0.37 -0.27 0.00 2.37 1.12 -1.42 -2.50 114.38 113.31 1bw5 h ARG 48 Ca 0.09 0.02 -0.00 0.00 -1.11 0.00 0.00 59.98 58.97 1bw5 h ARG 48 Cb 0.50 0.06 -0.00 0.00 -0.01 0.00 0.00 29.97 30.52 1bw5 h ARG 48 CO -0.29 -0.18 -0.00 -0.24 -3.11 0.00 0.00 179.97 176.14 1bw5 h VAL 49 N -0.28 1.00 0.23 0.20 3.04 -1.64 -3.23 116.25 115.57 1bw5 h VAL 49 Ca 0.01 -0.02 -0.00 0.00 -1.01 0.00 0.00 66.70 65.68 1bw5 h VAL 49 Cb 0.31 1.01 -0.02 0.00 -2.01 0.00 0.00 31.29 30.57 1bw5 h VAL 49 CO -0.17 0.00 -0.36 -0.25 -1.01 0.00 0.00 177.57 175.79 1bw5 h TRP 50 N 0.00 -1.02 -0.92 3.17 7.01 -0.80 -2.64 115.95 120.75 1bw5 h TRP 50 Ca -0.00 0.02 0.17 0.00 2.11 0.00 0.00 58.89 61.19 1bw5 h TRP 50 Cb 0.01 0.41 -0.10 0.00 -2.10 0.00 0.00 29.16 27.38 1bw5 h TRP 50 CO 0.00 -0.44 0.50 0.74 -2.79 0.00 0.00 178.44 176.45 1bw5 h PHE 51 N -0.62 0.87 0.00 2.65 0.04 -1.57 -1.74 116.94 116.57 1bw5 h PHE 51 Ca -0.03 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1bw5 h PHE 51 Cb 0.57 -0.25 0.00 0.00 2.20 0.00 0.00 35.95 38.47 1bw5 h PHE 51 CO -0.29 0.17 0.00 0.94 -0.60 0.00 0.00 178.31 178.53 1bw5 n GLN 52 N -4.85 0.00 -0.28 1.51 7.27 -1.01 -1.88 117.38 118.14 1bw5 n GLN 52 Ca 0.20 0.51 0.05 0.00 0.07 0.00 0.00 57.00 57.83 1bw5 n GLN 52 Cb 0.52 -1.27 0.19 0.00 2.41 0.00 0.00 30.24 32.09 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 -0.80 1.69 7.08 -1.47 -2.03 115.58 120.54 1bw5 h ASN 53 Ca 0.00 0.08 0.18 0.00 -3.08 0.00 0.00 56.30 53.48 1bw5 h ASN 53 Cb 0.00 0.01 -0.14 0.00 -2.08 0.00 0.00 38.32 36.10 1bw5 h ASN 53 CO 0.00 0.23 -0.04 0.50 -2.08 0.00 0.00 177.43 176.04 1bw5 h LYS 54 N 0.61 0.06 0.20 4.14 1.63 -1.06 0.17 116.57 122.32 1bw5 h LYS 54 Ca 0.42 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.21 1bw5 h LYS 54 Cb 0.55 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.16 1bw5 h LYS 54 CO -0.34 0.04 -0.20 -0.09 -3.45 0.00 0.00 179.45 175.42 1bw5 h ARG 55 N 0.07 -0.39 -0.61 1.90 2.43 -0.63 0.23 114.38 117.39 1bw5 h ARG 55 Ca 0.43 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.69 1bw5 h ARG 55 Cb 0.76 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.36 1bw5 h ARG 55 CO -0.74 -0.26 0.40 0.00 -1.51 0.00 0.00 179.97 177.87 1bw5 h LYS 57 N 0.58 -0.05 -3.14 0.00 3.11 -0.38 -3.24 116.57 113.47 1bw5 h LYS 57 Ca 0.26 0.00 -0.20 0.00 -2.81 0.00 0.00 60.65 57.90 1bw5 h LYS 57 Cb 0.29 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.53 1bw5 h LYS 57 CO -0.08 0.18 1.34 -0.40 -2.81 0.00 0.00 179.45 177.68 1bw5 n ASP 58 N -5.00 3.17 -4.57 4.20 5.68 0.04 -4.82 116.55 115.25 1bw5 n ASP 58 Ca -0.08 -2.11 -0.18 0.00 -0.50 0.00 0.00 54.79 51.92 1bw5 n ASP 58 Cb 0.14 -0.82 -0.08 0.00 -1.14 0.00 0.00 41.12 39.23 1bw5 n ASP 58 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1bw5 s LYS 59 N 3.07 1.75 0.30 0.11 2.20 -1.22 -4.73 119.74 121.21 1bw5 s LYS 59 Ca 0.30 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.87 1bw5 s LYS 59 Cb 0.10 -4.93 0.00 0.00 -1.51 0.00 0.00 37.83 31.50 1bw5 s LYS 59 CO -0.01 -4.47 0.00 1.63 -0.36 0.00 0.00 175.35 172.13 1bw5 n LYS 60 N 8.62 -2.25 -2.68 4.03 4.01 -1.26 -4.93 118.16 123.69 1bw5 n LYS 60 Ca 0.44 1.57 -0.05 0.00 -0.51 0.00 0.00 58.31 59.76 1bw5 n LYS 60 Cb 0.45 -2.78 0.09 0.00 -0.51 0.00 0.00 35.03 32.29 1bw5 n LYS 60 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1bw5 n ARG 61 N -3.47 0.37 0.00 1.97 3.00 -1.26 -5.16 116.66 112.11 1bw5 n ARG 61 Ca -0.01 -1.04 0.00 0.00 -0.00 0.00 0.00 57.85 56.80 1bw5 n ARG 61 Cb 0.63 -0.47 0.00 0.00 0.00 0.00 0.00 32.46 32.62 1bw5 n ARG 61 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1bw5 n SER 62 N 0.81 0.33 -4.63 6.15 3.41 -1.26 -5.04 113.62 113.39 1bw5 n SER 62 Ca -0.00 0.00 -0.49 0.00 -0.26 0.00 0.00 58.87 58.12 1bw5 n SER 62 Cb 0.72 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.63 1bw5 n SER 62 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1bw5 n ILE 63 N 0.00 0.16 -2.77 -1.33 5.41 -1.26 -4.93 119.36 114.64 1bw5 n ILE 63 Ca 0.00 -0.04 -0.33 0.00 1.00 0.00 0.00 62.75 63.38 1bw5 n ILE 63 Cb 0.00 -1.17 -0.06 0.00 -0.71 0.00 0.00 39.64 37.70 1bw5 n ILE 63 CO 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 176.55 176.51 1bw5 s MET 64 N 0.50 4.15 0.52 0.38 -1.94 -1.26 -5.05 119.30 116.60 1bw5 s MET 64 Ca 0.80 1.04 -0.12 0.00 -1.71 0.00 0.00 55.69 55.69 1bw5 s MET 64 Cb -0.81 -2.20 -0.06 0.00 2.01 0.00 0.00 34.83 33.78 1bw5 s MET 64 CO 0.44 -0.06 0.93 0.00 -0.01 0.00 0.00 175.02 176.32 1bw5 s MET 65 N -3.34 3.75 0.00 2.03 0.23 -1.26 -5.30 119.30 115.41 1bw5 s MET 65 Ca 0.61 0.69 0.00 0.00 -1.03 0.00 0.00 55.69 55.96 1bw5 s MET 65 Cb -0.09 -2.20 0.00 0.00 -1.53 0.00 0.00 34.83 31.01 1bw5 s MET 65 CO 0.17 -0.31 0.00 1.17 -2.03 0.00 0.00 175.02 174.02