#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 -2.26 -1.71 3.17 5.02 -1.26 -4.71 118.16 116.41 1bw5 n LYS 2 Ca 0.00 1.56 -0.29 0.00 -2.02 0.00 0.00 58.31 57.56 1bw5 n LYS 2 Cb 0.00 -2.78 0.14 0.00 -0.02 0.00 0.00 35.03 32.37 1bw5 n LYS 2 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 1bw5 s THR 3 N -2.39 1.97 0.00 -0.18 -1.32 -1.26 -4.63 115.64 107.84 1bw5 s THR 3 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1bw5 s THR 3 Cb 0.00 -2.87 0.00 0.00 -1.51 0.00 0.00 72.50 68.12 1bw5 s THR 3 CO 0.00 0.00 0.00 0.35 -2.21 0.00 0.00 174.62 172.76 1bw5 n THR 4 N -3.67 -1.17 -1.63 5.08 -2.24 -1.26 -4.85 114.28 104.53 1bw5 n THR 4 Ca 0.09 0.11 -0.32 0.00 -2.27 0.00 0.00 64.05 61.66 1bw5 n THR 4 Cb 0.60 -2.48 0.06 0.00 -2.10 0.00 0.00 70.33 66.41 1bw5 n THR 4 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1bw5 s ARG 5 N -0.22 2.69 -1.12 -0.78 0.52 -1.26 -4.92 118.95 113.86 1bw5 s ARG 5 Ca 0.00 1.30 -0.20 0.00 -0.52 0.00 0.00 55.73 56.31 1bw5 s ARG 5 Cb 0.00 -1.94 0.08 0.00 0.52 0.00 0.00 34.95 33.61 1bw5 s ARG 5 CO 0.00 -1.32 1.49 0.08 0.02 0.00 0.00 175.30 175.56 1bw5 s VAL 6 N -2.54 4.25 -0.41 3.52 1.01 -1.26 -4.65 120.40 120.33 1bw5 s VAL 6 Ca 0.65 -1.49 0.09 0.00 0.00 0.00 0.00 61.98 61.22 1bw5 s VAL 6 Cb -0.19 -5.04 0.37 0.00 0.00 0.00 0.00 36.38 31.52 1bw5 s VAL 6 CO 0.46 -1.86 1.23 -1.14 0.00 0.00 0.00 175.10 173.79 1bw5 n ARG 7 N 7.95 1.13 -1.56 2.72 0.63 -1.26 -5.14 116.66 121.13 1bw5 n ARG 7 Ca 0.37 -2.05 -0.29 0.00 -0.92 0.00 0.00 57.85 54.96 1bw5 n ARG 7 Cb 0.48 -0.51 0.17 0.00 0.45 0.00 0.00 32.46 33.05 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1bw5 s THR 8 N -0.20 1.91 -0.05 5.15 -4.23 -1.26 -5.01 115.64 111.96 1bw5 s THR 8 Ca 0.23 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 60.97 1bw5 s THR 8 Cb 0.37 -2.77 0.41 0.00 1.34 0.00 0.00 72.50 71.85 1bw5 s THR 8 CO -0.07 0.00 1.15 1.33 -0.54 0.00 0.00 174.62 176.50 1bw5 n VAL 9 N -3.95 0.21 -2.63 2.29 0.24 -1.26 -5.10 118.33 108.13 1bw5 n VAL 9 Ca 0.10 -1.23 -0.41 0.00 -2.04 0.00 0.00 64.34 60.76 1bw5 n VAL 9 Cb 0.59 1.01 -0.05 0.00 -1.47 0.00 0.00 33.84 33.93 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 -0.70 4.56 0.00 1.34 1.98 -1.26 -5.04 118.68 119.57 1bw5 s LEU 10 Ca 0.30 2.02 0.00 0.00 -2.89 0.00 0.00 54.13 53.56 1bw5 s LEU 10 Cb 0.35 -3.61 0.00 0.00 0.66 0.00 0.00 46.19 43.59 1bw5 s LEU 10 CO -0.13 -0.04 0.00 -0.46 -1.89 0.00 0.00 176.35 173.82 1bw5 n ASN 11 N 1.91 0.00 0.27 3.68 0.23 -1.26 -4.96 115.26 115.13 1bw5 n ASN 11 Ca 0.00 -0.50 0.16 0.00 -0.53 0.00 0.00 54.58 53.71 1bw5 n ASN 11 Cb 0.47 0.00 0.74 0.00 -2.08 0.00 0.00 39.78 38.91 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 4.22 -1.97 -2.15 114.58 110.85 1bw5 h GLU 12 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1bw5 h GLU 12 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1bw5 h GLU 12 CO 0.00 0.00 0.00 1.63 -2.18 0.00 0.00 179.01 178.46 1bw5 n LYS 13 N -3.06 0.00 -0.15 1.92 5.02 -1.26 -3.02 118.16 117.60 1bw5 n LYS 13 Ca 0.01 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.23 1bw5 n LYS 13 Cb 0.49 -0.58 0.10 0.00 -0.02 0.00 0.00 35.03 35.02 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 0.91 0.26 1.97 7.50 -1.96 -3.09 115.11 120.69 1bw5 h GLN 14 Ca 0.00 -0.27 0.00 0.00 0.50 0.00 0.00 58.65 58.89 1bw5 h GLN 14 Cb 0.00 -0.09 -0.02 0.00 0.05 0.00 0.00 27.48 27.42 1bw5 h GLN 14 CO 0.00 0.91 -0.26 1.25 -1.50 0.00 0.00 178.83 179.23 1bw5 h LEU 15 N 0.84 -0.70 -0.74 1.46 7.12 -1.59 -2.57 115.31 119.14 1bw5 h LEU 15 Ca 0.16 0.06 0.13 0.00 0.13 0.00 0.00 57.88 58.36 1bw5 h LEU 15 Cb 0.51 0.24 -0.09 0.00 -0.53 0.00 0.00 40.66 40.79 1bw5 h LEU 15 CO 0.03 -0.38 0.32 -0.74 -0.13 0.00 0.00 178.44 177.53 1bw5 h HIS 16 N -0.55 0.55 0.12 1.25 2.76 -1.52 -1.73 115.15 116.02 1bw5 h HIS 16 Ca -0.01 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.19 1bw5 h HIS 16 Cb 0.51 -0.13 -0.01 0.00 1.55 0.00 0.00 27.41 29.33 1bw5 h HIS 16 CO -0.17 0.12 -0.13 1.15 -1.30 0.00 0.00 177.93 177.59 1bw5 h THR 17 N 0.49 0.00 -1.00 6.26 2.02 -1.39 -2.59 112.91 116.71 1bw5 h THR 17 Ca 0.39 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.79 1bw5 h THR 17 Cb 0.54 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.85 1bw5 h THR 17 CO -0.36 0.00 0.62 -0.07 0.37 0.00 0.00 175.52 176.08 1bw5 h LEU 18 N -0.25 0.68 -0.99 2.58 3.38 -1.35 -1.28 115.31 118.08 1bw5 h LEU 18 Ca -0.01 0.10 0.32 0.00 0.09 0.00 0.00 57.88 58.38 1bw5 h LEU 18 Cb 0.22 -0.02 -0.15 0.00 0.09 0.00 0.00 40.66 40.80 1bw5 h LEU 18 CO -0.02 0.20 0.54 -0.09 0.09 0.00 0.00 178.44 179.16 1bw5 h ARG 19 N 0.64 0.30 -0.42 1.13 2.43 -0.90 0.52 114.38 118.07 1bw5 h ARG 19 Ca 0.59 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.67 1bw5 h ARG 19 Cb 1.09 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.56 1bw5 h ARG 19 CO -0.38 0.20 -0.02 1.15 -1.51 0.00 0.00 179.97 179.41 1bw5 h THR 20 N 0.31 1.23 0.74 0.20 2.02 -1.20 -3.18 112.91 113.03 1bw5 h THR 20 Ca 0.73 -0.97 -0.04 0.00 0.77 0.00 0.00 66.41 66.90 1bw5 h THR 20 Cb 1.65 0.94 0.01 0.00 -1.74 0.00 0.00 68.15 69.01 1bw5 h THR 20 CO -0.62 0.34 -0.35 0.00 0.37 0.00 0.00 175.52 175.26 1bw5 h TYR 22 N -1.05 -0.16 -0.80 0.00 3.20 -1.48 1.14 116.97 117.83 1bw5 h TYR 22 Ca -0.10 0.06 0.13 0.00 3.14 0.00 0.00 58.73 61.96 1bw5 h TYR 22 Cb 0.77 0.19 -0.06 0.00 1.54 0.00 0.00 36.73 39.18 1bw5 h TYR 22 CO -0.01 -0.27 0.52 0.00 -1.64 0.00 0.00 178.16 176.76 1bw5 h ALA 23 N 1.73 1.92 -0.01 1.82 0.00 -1.53 -1.43 119.26 121.76 1bw5 h ALA 23 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1bw5 h ALA 23 Cb 0.69 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1bw5 h ALA 23 CO -0.71 -0.12 -0.78 0.00 0.00 0.00 0.00 179.25 177.65 1bw5 n ALA 24 N -2.47 4.25 -3.00 0.00 0.00 0.12 -4.81 120.51 114.59 1bw5 n ALA 24 Ca 0.15 -0.61 -0.00 0.00 0.00 0.00 0.00 53.44 52.98 1bw5 n ALA 24 Cb 0.44 -0.76 -0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 -2.75 -1.24 0.00 0.00 3.04 0.35 -4.98 114.94 109.35 1bw5 s ASN 25 Ca 0.12 -0.87 0.27 0.00 0.04 0.00 0.00 52.86 52.42 1bw5 s ASN 25 Cb 0.16 1.60 1.57 0.00 -1.54 0.00 0.00 41.25 43.04 1bw5 s ASN 25 CO 0.74 -0.11 1.94 -0.81 -3.04 0.00 0.00 177.10 175.82 1bw5 n PRO 26 N 3.85 0.78 -3.17 0.43 -0.04 -1.04 -4.06 135.00 131.76 1bw5 n PRO 26 Ca 0.12 0.01 -0.11 0.00 -0.04 0.00 0.00 63.50 63.47 1bw5 n PRO 26 Cb 0.58 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.50 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 -2.07 0.85 0.58 0.54 3.52 -1.26 -5.07 118.95 116.03 1bw5 s ARG 27 Ca 0.38 -1.01 -0.06 0.00 -0.13 0.00 0.00 55.73 54.91 1bw5 s ARG 27 Cb 0.18 -0.48 0.13 0.00 -1.56 0.00 0.00 34.95 33.22 1bw5 s ARG 27 CO 0.32 -1.27 0.79 -0.35 -0.81 0.00 0.00 175.30 173.98 1bw5 n PRO 28 N 3.67 -0.44 -0.28 5.12 -0.04 -1.26 -5.11 135.00 136.66 1bw5 n PRO 28 Ca 0.16 -1.54 0.00 0.00 -0.04 0.00 0.00 63.50 62.08 1bw5 n PRO 28 Cb 0.51 -0.71 0.00 0.00 -0.04 0.00 0.00 33.50 33.26 1bw5 n PRO 28 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1bw5 n ASP 29 N -3.30 0.00 -0.42 3.54 -0.08 -1.26 -4.98 116.55 110.04 1bw5 n ASP 29 Ca 0.11 -0.26 0.40 0.00 -1.51 0.00 0.00 54.79 53.52 1bw5 n ASP 29 Cb 0.38 0.00 0.77 0.00 2.34 0.00 0.00 41.12 44.61 1bw5 n ASP 29 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1bw5 h ALA 30 N 1.95 3.30 -3.00 -1.67 0.00 -1.99 0.06 119.26 117.90 1bw5 h ALA 30 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1bw5 h ALA 30 Cb 0.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1bw5 h ALA 30 CO 0.00 -1.69 0.00 -0.11 0.00 0.00 0.00 179.25 177.45 1bw5 n LEU 31 N -4.13 0.58 0.19 0.00 7.94 -1.26 -3.62 117.00 116.70 1bw5 n LEU 31 Ca 0.30 0.24 0.16 0.00 -1.11 0.00 0.00 56.01 55.60 1bw5 n LEU 31 Cb 1.43 0.00 0.78 0.00 0.53 0.00 0.00 43.42 46.16 1bw5 n LEU 31 CO 0.41 0.00 1.14 0.24 -1.11 0.00 0.00 177.39 178.07 1bw5 h MET 32 N 0.00 0.00 -0.82 1.96 2.86 -1.93 -2.54 114.93 114.45 1bw5 h MET 32 Ca 0.00 0.00 0.20 0.00 -2.06 0.00 0.00 59.70 57.84 1bw5 h MET 32 Cb 0.00 0.00 -0.13 0.00 0.06 0.00 0.00 31.60 31.53 1bw5 h MET 32 CO 0.00 0.00 0.18 -0.22 1.06 0.00 0.00 176.91 177.93 1bw5 h LYS 33 N 0.00 0.20 0.53 1.72 3.64 -1.07 0.13 116.57 121.72 1bw5 h LYS 33 Ca 0.09 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1bw5 h LYS 33 Cb 0.45 -0.05 0.01 0.00 -0.41 0.00 0.00 32.23 32.23 1bw5 h LYS 33 CO -0.00 0.13 -0.25 1.49 -2.27 0.00 0.00 179.45 178.55 1bw5 h GLU 34 N 0.21 -0.68 -0.81 1.90 4.81 -1.51 -3.07 114.58 115.42 1bw5 h GLU 34 Ca 0.49 0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.74 1bw5 h GLU 34 Cb 0.93 0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.43 1bw5 h GLU 34 CO -0.62 -0.41 0.41 1.96 -0.73 0.00 0.00 179.01 179.62 1bw5 h GLN 35 N -0.81 1.15 -1.00 1.92 4.20 -1.51 -2.45 115.11 116.61 1bw5 h GLN 35 Ca -0.07 -0.15 0.21 0.00 0.06 0.00 0.00 58.65 58.70 1bw5 h GLN 35 Cb 0.59 -0.22 -0.10 0.00 0.30 0.00 0.00 27.48 28.05 1bw5 h GLN 35 CO 0.12 0.87 0.62 -0.07 -0.67 0.00 0.00 178.83 179.69 1bw5 h LEU 36 N 1.15 0.67 -0.71 1.46 -0.00 -0.71 0.15 115.31 117.32 1bw5 h LEU 36 Ca 0.28 0.09 0.01 0.00 -0.00 0.00 0.00 57.88 58.26 1bw5 h LEU 36 Cb 0.08 -0.02 -0.04 0.00 -0.00 0.00 0.00 40.66 40.68 1bw5 h LEU 36 CO -0.04 0.21 0.47 0.58 -0.00 0.00 0.00 178.44 179.65 1bw5 h VAL 37 N 0.64 1.19 -0.88 1.22 2.07 -1.34 -2.65 116.25 116.49 1bw5 h VAL 37 Ca 0.58 -0.35 0.12 0.00 0.82 0.00 0.00 66.70 67.87 1bw5 h VAL 37 Cb 1.08 0.14 -0.07 0.00 -1.52 0.00 0.00 31.29 30.92 1bw5 h VAL 37 CO -0.36 0.18 0.57 -0.08 0.02 0.00 0.00 177.57 177.90 1bw5 h GLU 38 N 0.97 0.77 0.62 1.57 4.81 -0.74 1.54 114.58 124.12 1bw5 h GLU 38 Ca 0.26 -0.05 -0.03 0.00 -0.13 0.00 0.00 59.36 59.42 1bw5 h GLU 38 Cb -0.10 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.11 1bw5 h GLU 38 CO -0.06 0.51 -0.35 0.52 -0.73 0.00 0.00 179.01 178.90 1bw5 h MET 39 N 0.79 -0.87 -0.01 1.92 2.86 -1.37 -3.19 114.93 115.06 1bw5 h MET 39 Ca 0.43 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 58.13 1bw5 h MET 39 Cb 0.55 0.20 0.00 0.00 0.06 0.00 0.00 31.60 32.40 1bw5 h MET 39 CO -0.19 -0.58 -0.26 -2.37 1.06 0.00 0.00 176.91 174.57 1bw5 n THR 40 N -4.59 0.00 -0.71 2.22 5.66 -1.16 -4.92 114.28 110.78 1bw5 n THR 40 Ca -0.11 -0.18 -0.00 0.00 -3.05 0.00 0.00 64.05 60.70 1bw5 n THR 40 Cb 0.37 0.63 -0.00 0.00 -1.55 0.00 0.00 70.33 69.77 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 1.34 0.04 3.94 1.09 0.00 0.52 -4.92 105.19 107.21 1bw5 n GLY 41 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.13 2.77 0.81 0.99 1.02 -1.25 -4.99 118.68 117.90 1bw5 s LEU 42 Ca 0.00 0.19 -0.11 0.00 0.02 0.00 0.00 54.13 54.23 1bw5 s LEU 42 Cb 0.00 -2.42 0.08 0.00 0.02 0.00 0.00 46.19 43.87 1bw5 s LEU 42 CO 0.00 -2.32 1.09 -0.44 0.02 0.00 0.00 176.35 174.70 1bw5 s SER 43 N -4.78 4.33 0.31 2.29 0.01 -1.26 -4.85 113.70 109.75 1bw5 s SER 43 Ca 0.69 1.46 0.26 0.00 1.31 0.00 0.00 55.95 59.67 1bw5 s SER 43 Cb -0.06 -2.19 0.94 0.00 0.21 0.00 0.00 66.02 64.92 1bw5 s SER 43 CO 0.50 -2.09 1.77 1.55 0.41 0.00 0.00 173.24 175.37 1bw5 h PRO 44 N -1.17 0.00 0.01 12.44 0.13 -1.97 -3.26 132.00 138.19 1bw5 h PRO 44 Ca -0.47 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 1bw5 h PRO 44 Cb 1.26 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.34 1bw5 h PRO 44 CO 0.57 0.00 -0.33 0.00 -0.23 0.00 0.00 178.00 178.01 1bw5 h ARG 45 N 0.00 -0.47 -0.81 0.86 2.47 -2.01 -1.19 114.38 113.23 1bw5 h ARG 45 Ca 0.00 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.75 1bw5 h ARG 45 Cb 0.56 0.11 -0.04 0.00 -1.65 0.00 0.00 29.97 28.94 1bw5 h ARG 45 CO 0.00 -0.31 0.48 0.28 0.56 0.00 0.00 179.97 180.97 1bw5 h VAL 46 N -0.49 1.23 -0.03 2.04 2.07 -1.96 -2.87 116.25 116.24 1bw5 h VAL 46 Ca 0.06 -0.51 0.03 0.00 0.82 0.00 0.00 66.70 67.10 1bw5 h VAL 46 Cb 0.57 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 1bw5 h VAL 46 CO -0.26 0.24 -0.18 0.40 0.02 0.00 0.00 177.57 177.78 1bw5 h ILE 47 N 1.11 0.55 0.14 4.57 1.08 -1.37 -0.45 117.51 123.15 1bw5 h ILE 47 Ca 0.29 0.00 -0.00 0.00 -0.39 0.00 0.00 64.86 64.76 1bw5 h ILE 47 Cb -0.03 0.55 -0.01 0.00 -3.07 0.00 0.00 36.82 34.26 1bw5 h ILE 47 CO -0.05 0.00 -0.14 -0.09 -0.69 0.00 0.00 178.15 177.18 1bw5 h ARG 48 N -0.28 -0.27 -0.44 2.37 2.43 -1.03 -2.74 114.38 114.41 1bw5 h ARG 48 Ca 0.06 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.38 1bw5 h ARG 48 Cb 0.37 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1bw5 h ARG 48 CO -0.19 -0.18 0.34 -0.24 -1.51 0.00 0.00 179.97 178.18 1bw5 h VAL 49 N -0.28 0.71 0.29 0.20 3.04 -1.56 -3.05 116.25 115.60 1bw5 h VAL 49 Ca -0.02 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.66 1bw5 h VAL 49 Cb 0.24 0.76 -0.01 0.00 -2.01 0.00 0.00 31.29 30.28 1bw5 h VAL 49 CO -0.01 0.00 -0.25 -0.25 -1.01 0.00 0.00 177.57 176.05 1bw5 h TRP 50 N 0.00 -0.68 -0.81 3.17 7.01 -0.75 -2.09 115.95 121.80 1bw5 h TRP 50 Ca 0.21 0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.34 1bw5 h TRP 50 Cb 0.88 0.26 -0.09 0.00 -2.10 0.00 0.00 29.16 28.11 1bw5 h TRP 50 CO 0.00 -0.34 0.42 0.74 -2.79 0.00 0.00 178.44 176.47 1bw5 h PHE 51 N -0.52 0.74 -0.01 2.65 0.04 -1.50 -2.15 116.94 116.18 1bw5 h PHE 51 Ca -0.04 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1bw5 h PHE 51 Cb 0.44 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.38 1bw5 h PHE 51 CO -0.11 0.21 -0.03 0.37 -0.60 0.00 0.00 178.31 178.15 1bw5 h GLN 52 N 0.63 -0.02 -0.64 1.51 -0.00 -1.39 -1.87 115.11 113.33 1bw5 h GLN 52 Ca 0.43 0.00 0.14 0.00 -0.00 0.00 0.00 58.65 59.21 1bw5 h GLN 52 Cb 0.55 0.01 -0.11 0.00 0.00 0.00 0.00 27.48 27.92 1bw5 h GLN 52 CO -0.33 -0.02 -0.02 -0.91 0.00 0.00 0.00 178.83 177.55 1bw5 h ASN 53 N -0.02 -0.34 -0.78 -0.69 2.35 -1.14 -1.25 115.58 113.70 1bw5 h ASN 53 Ca 0.00 0.17 0.18 0.00 -0.55 0.00 0.00 56.30 56.10 1bw5 h ASN 53 Cb 0.03 0.30 -0.13 0.00 0.05 0.00 0.00 38.32 38.58 1bw5 h ASN 53 CO -0.03 -0.14 0.14 0.50 -1.65 0.00 0.00 177.43 176.25 1bw5 h LYS 54 N 0.09 0.19 -0.08 0.81 3.11 -0.71 -0.59 116.57 119.39 1bw5 h LYS 54 Ca 0.34 -0.01 0.04 0.00 -2.81 0.00 0.00 60.65 58.20 1bw5 h LYS 54 Cb 0.55 -0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 31.69 1bw5 h LYS 54 CO -0.57 0.13 -0.19 -0.09 -2.81 0.00 0.00 179.45 175.91 1bw5 h ARG 55 N 0.20 -0.26 -0.55 1.90 2.43 -0.46 0.46 114.38 118.10 1bw5 h ARG 55 Ca 0.45 0.02 0.07 0.00 -0.81 0.00 0.00 59.98 59.71 1bw5 h ARG 55 Cb 0.83 0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.38 1bw5 h ARG 55 CO -0.60 -0.17 0.25 0.00 -1.51 0.00 0.00 179.97 177.93 1bw5 h LYS 57 N 0.47 0.62 -3.88 0.00 1.79 -0.71 -3.28 116.57 111.58 1bw5 h LYS 57 Ca 0.26 -0.22 -0.46 0.00 -2.18 0.00 0.00 60.65 58.05 1bw5 h LYS 57 Cb 0.24 -0.05 0.03 0.00 -1.58 0.00 0.00 32.23 30.87 1bw5 h LYS 57 CO -0.22 0.77 2.38 -0.25 -1.08 0.00 0.00 179.45 181.05 1bw5 n ASP 58 N -4.48 3.68 -4.57 0.86 9.92 0.16 -4.83 116.55 117.28 1bw5 n ASP 58 Ca -0.02 -2.44 -0.28 0.00 -0.53 0.00 0.00 54.79 51.52 1bw5 n ASP 58 Cb 0.30 -1.06 -0.05 0.00 -0.64 0.00 0.00 41.12 39.67 1bw5 n ASP 58 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1bw5 s LYS 59 N 4.15 2.59 -0.33 -1.24 1.02 -1.24 -4.40 119.74 120.30 1bw5 s LYS 59 Ca 0.44 -0.76 -0.24 0.00 0.02 0.00 0.00 55.97 55.43 1bw5 s LYS 59 Cb 0.11 -5.17 0.04 0.00 -0.52 0.00 0.00 37.83 32.29 1bw5 s LYS 59 CO 0.03 -3.60 0.45 1.17 -0.92 0.00 0.00 175.35 172.49 1bw5 n LYS 60 N 8.58 -1.70 -1.53 1.68 4.81 -1.26 -4.57 118.16 124.17 1bw5 n LYS 60 Ca 0.42 1.46 -0.13 0.00 -0.87 0.00 0.00 58.31 59.19 1bw5 n LYS 60 Cb 0.47 -2.52 -0.10 0.00 0.02 0.00 0.00 35.03 32.90 1bw5 n LYS 60 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1bw5 n ARG 61 N 0.22 0.22 -0.97 1.64 3.00 -1.26 -4.66 116.66 114.85 1bw5 n ARG 61 Ca -0.03 -1.27 -0.11 0.00 -0.01 0.00 0.00 57.85 56.43 1bw5 n ARG 61 Cb 0.56 -3.56 0.21 0.00 0.00 0.00 0.00 32.46 29.68 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 18.07 3.43 -4.64 0.55 2.88 -1.26 -4.99 113.62 127.66 1bw5 n SER 62 Ca 0.41 -3.57 -0.43 0.00 -1.33 0.00 0.00 58.87 53.95 1bw5 n SER 62 Cb 0.45 -0.72 -0.03 0.00 -0.75 0.00 0.00 64.21 63.16 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 -3.20 3.38 -0.40 2.46 1.01 -1.26 -4.86 121.20 118.32 1bw5 s ILE 63 Ca 0.51 0.43 0.10 0.00 0.00 0.00 0.00 60.65 61.69 1bw5 s ILE 63 Cb 0.43 -3.37 0.33 0.00 0.01 0.00 0.00 42.46 39.87 1bw5 s ILE 63 CO 0.07 -0.13 0.84 0.80 0.00 0.00 0.00 174.94 176.51 1bw5 n MET 64 N 7.78 0.96 -2.43 2.79 1.56 -1.26 -5.12 117.12 121.39 1bw5 n MET 64 Ca 0.21 -2.87 -0.37 0.00 -0.27 0.00 0.00 57.70 54.40 1bw5 n MET 64 Cb 0.44 -1.46 -0.03 0.00 2.15 0.00 0.00 33.22 34.32 1bw5 n MET 64 CO 0.00 0.00 0.00 -1.64 -0.73 0.00 0.00 175.97 173.60 1bw5 s MET 65 N -1.40 4.12 0.00 2.12 -1.94 -1.26 -5.36 119.30 115.57 1bw5 s MET 65 Ca 0.34 1.65 0.00 0.00 -1.71 0.00 0.00 55.69 55.97 1bw5 s MET 65 Cb 0.31 -2.61 0.00 0.00 2.01 0.00 0.00 34.83 34.55 1bw5 s MET 65 CO -0.08 -0.22 0.00 1.17 -0.01 0.00 0.00 175.02 175.88