#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 -3.99 -0.04 0.03 3.00 -1.26 -4.52 118.16 111.37 1bw5 n LYS 2 Ca 0.00 3.09 0.07 0.00 -0.00 0.00 0.00 58.31 61.47 1bw5 n LYS 2 Cb 0.00 -3.83 0.31 0.00 0.00 0.00 0.00 35.03 31.51 1bw5 n LYS 2 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.40 175.03 1bw5 n THR 3 N -2.43 0.11 -3.51 3.15 5.66 -1.26 -4.76 114.28 111.25 1bw5 n THR 3 Ca 0.00 -0.14 -0.39 0.00 -3.05 0.00 0.00 64.05 60.47 1bw5 n THR 3 Cb 0.43 -0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.10 1bw5 n THR 3 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1bw5 s THR 4 N -1.89 5.26 0.05 1.09 2.01 -1.26 -5.06 115.64 115.83 1bw5 s THR 4 Ca 0.21 0.07 -0.12 0.00 0.31 0.00 0.00 61.69 62.16 1bw5 s THR 4 Cb 0.10 -3.67 -0.06 0.00 0.01 0.00 0.00 72.50 68.88 1bw5 s THR 4 CO 0.16 0.08 0.42 -0.13 -0.69 0.00 0.00 174.62 174.46 1bw5 s ARG 5 N 1.84 3.85 -0.66 4.92 0.52 -1.26 -5.00 118.95 123.16 1bw5 s ARG 5 Ca 0.09 0.31 -0.26 0.00 -0.52 0.00 0.00 55.73 55.34 1bw5 s ARG 5 Cb -0.17 -3.09 -0.01 0.00 0.52 0.00 0.00 34.95 32.20 1bw5 s ARG 5 CO 0.11 0.61 1.75 0.08 0.02 0.00 0.00 175.30 177.87 1bw5 s VAL 6 N -1.26 3.44 -0.33 3.52 1.01 -1.26 -4.71 120.40 120.81 1bw5 s VAL 6 Ca 0.29 0.19 0.16 0.00 0.00 0.00 0.00 61.98 62.62 1bw5 s VAL 6 Cb -0.15 -4.15 0.44 0.00 0.00 0.00 0.00 36.38 32.52 1bw5 s VAL 6 CO 0.16 -1.11 1.25 0.54 0.00 0.00 0.00 175.10 175.94 1bw5 n ARG 7 N 9.20 1.36 -1.12 2.72 1.74 -1.26 -5.13 116.66 124.17 1bw5 n ARG 7 Ca 0.18 -2.41 -0.15 0.00 -0.77 0.00 0.00 57.85 54.70 1bw5 n ARG 7 Cb 0.51 -0.58 0.10 0.00 -1.02 0.00 0.00 32.46 31.47 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 1bw5 n THR 8 N -0.72 0.00 -2.23 0.55 -2.24 -1.26 -5.04 114.28 103.34 1bw5 n THR 8 Ca -0.02 -0.57 -0.03 0.00 -2.27 0.00 0.00 64.05 61.17 1bw5 n THR 8 Cb 0.84 -1.63 -0.03 0.00 -2.10 0.00 0.00 70.33 67.41 1bw5 n THR 8 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1bw5 n VAL 9 N -2.83 0.03 -2.60 2.28 0.24 -1.26 -5.06 118.33 109.12 1bw5 n VAL 9 Ca 0.09 -0.47 -0.41 0.00 -2.04 0.00 0.00 64.34 61.50 1bw5 n VAL 9 Cb 0.31 0.72 -0.03 0.00 -1.47 0.00 0.00 33.84 33.37 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 -0.22 3.56 0.63 1.34 2.01 -1.26 -4.93 118.68 119.82 1bw5 s LEU 10 Ca 0.14 -1.18 0.06 0.00 0.01 0.00 0.00 54.13 53.15 1bw5 s LEU 10 Cb 0.17 -2.55 0.10 0.00 0.01 0.00 0.00 46.19 43.92 1bw5 s LEU 10 CO -0.07 -1.57 0.87 0.54 1.01 0.00 0.00 176.35 177.13 1bw5 s ASN 11 N 4.45 4.80 0.56 2.29 2.20 -1.26 -4.78 114.94 123.19 1bw5 s ASN 11 Ca 0.41 -0.66 0.30 0.00 -0.94 0.00 0.00 52.86 51.97 1bw5 s ASN 11 Cb -0.04 0.18 1.46 0.00 -2.00 0.00 0.00 41.25 40.85 1bw5 s ASN 11 CO -0.02 -1.55 1.88 -0.33 -2.94 0.00 0.00 177.10 174.14 1bw5 h GLU 12 N -0.10 0.00 0.37 3.55 4.39 -1.97 0.43 114.58 121.24 1bw5 h GLU 12 Ca -0.32 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.36 1bw5 h GLU 12 Cb 1.28 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.93 1bw5 h GLU 12 CO 0.40 0.00 -0.18 -0.22 -1.16 0.00 0.00 179.01 177.86 1bw5 h LYS 13 N 0.00 -0.48 -0.36 2.33 1.63 -1.97 -1.35 116.57 116.38 1bw5 h LYS 13 Ca 0.33 0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.15 1bw5 h LYS 13 Cb 1.48 0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 33.20 1bw5 h LYS 13 CO -0.00 -0.32 0.20 0.37 -3.45 0.00 0.00 179.45 176.25 1bw5 h GLN 14 N -0.57 0.49 -0.38 1.90 5.75 -1.83 -3.02 115.11 117.46 1bw5 h GLN 14 Ca -0.05 -0.06 0.08 0.00 -0.15 0.00 0.00 58.65 58.47 1bw5 h GLN 14 Cb 0.38 -0.10 -0.09 0.00 1.07 0.00 0.00 27.48 28.74 1bw5 h GLN 14 CO 0.08 0.40 -0.27 -0.07 -2.65 0.00 0.00 178.83 176.32 1bw5 h LEU 15 N 0.45 -0.91 -0.75 -2.39 -0.00 -0.97 -1.61 115.31 109.13 1bw5 h LEU 15 Ca 0.13 0.17 0.16 0.00 -0.00 0.00 0.00 57.88 58.34 1bw5 h LEU 15 Cb 0.05 0.44 -0.10 0.00 -0.00 0.00 0.00 40.66 41.05 1bw5 h LEU 15 CO -0.02 -0.29 0.23 -0.74 -0.00 0.00 0.00 178.44 177.62 1bw5 h HIS 16 N -0.22 0.38 0.06 1.13 2.76 -1.11 -2.49 115.15 115.67 1bw5 h HIS 16 Ca 0.18 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1bw5 h HIS 16 Cb 0.50 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 29.40 1bw5 h HIS 16 CO -0.49 -0.03 -0.07 1.15 -1.30 0.00 0.00 177.93 177.19 1bw5 h THR 17 N 0.34 0.00 -0.96 6.26 2.02 -1.29 -2.85 112.91 116.43 1bw5 h THR 17 Ca 0.42 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.85 1bw5 h THR 17 Cb 0.70 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.98 1bw5 h THR 17 CO -0.47 0.00 0.51 -0.07 0.37 0.00 0.00 175.52 175.86 1bw5 h LEU 18 N -0.13 0.50 -0.89 2.58 3.38 -1.51 -2.02 115.31 117.21 1bw5 h LEU 18 Ca -0.01 0.16 0.33 0.00 0.09 0.00 0.00 57.88 58.45 1bw5 h LEU 18 Cb 0.12 0.10 -0.16 0.00 0.09 0.00 0.00 40.66 40.80 1bw5 h LEU 18 CO -0.01 0.01 0.31 -1.14 0.09 0.00 0.00 178.44 177.70 1bw5 n ARG 19 N -4.99 -0.06 0.11 1.13 0.63 -0.95 0.17 116.66 112.70 1bw5 n ARG 19 Ca 0.26 1.27 -0.03 0.00 -0.92 0.00 0.00 57.85 58.44 1bw5 n ARG 19 Cb 0.76 -2.19 0.19 0.00 0.45 0.00 0.00 32.46 31.67 1bw5 n ARG 19 CO 0.00 0.00 0.00 1.79 -2.51 0.00 0.00 177.63 176.91 1bw5 h THR 20 N 0.00 1.36 0.30 5.15 1.35 -1.45 -3.07 112.91 116.55 1bw5 h THR 20 Ca 0.68 -1.78 -0.01 0.00 -0.55 0.00 0.00 66.41 64.74 1bw5 h THR 20 Cb 1.68 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.99 1bw5 h THR 20 CO -0.75 0.52 -0.14 0.00 -0.25 0.00 0.00 175.52 174.90 1bw5 h TYR 22 N -0.53 0.21 -0.68 0.00 3.20 -1.58 1.91 116.97 119.50 1bw5 h TYR 22 Ca -0.04 0.05 0.08 0.00 3.14 0.00 0.00 58.73 61.95 1bw5 h TYR 22 Cb 0.31 0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.55 1bw5 h TYR 22 CO 0.09 -0.17 0.35 0.00 -1.64 0.00 0.00 178.16 176.79 1bw5 h ALA 23 N 1.70 0.92 -0.07 1.82 0.00 -1.60 -2.17 119.26 119.86 1bw5 h ALA 23 Ca 0.46 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.41 1bw5 h ALA 23 Cb 0.85 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1bw5 h ALA 23 CO -0.61 -0.01 0.00 0.00 0.00 0.00 0.00 179.25 178.63 1bw5 n ALA 24 N -2.38 2.46 -2.74 0.00 0.00 -0.10 -4.73 120.51 113.02 1bw5 n ALA 24 Ca 0.10 -0.71 -0.05 0.00 0.00 0.00 0.00 53.44 52.77 1bw5 n ALA 24 Cb 0.22 -0.74 0.03 0.00 0.00 0.00 0.00 19.45 18.96 1bw5 n ALA 24 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1bw5 n ASN 25 N 1.24 -2.87 0.00 0.00 3.02 0.63 -4.99 115.26 112.30 1bw5 n ASN 25 Ca 0.13 -2.66 0.06 0.00 -0.03 0.00 0.00 54.58 52.09 1bw5 n ASN 25 Cb 0.55 1.56 0.39 0.00 -0.61 0.00 0.00 39.78 41.66 1bw5 n ASN 25 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1bw5 n PRO 26 N 2.43 0.52 -3.10 3.52 -0.04 -0.86 -3.79 135.00 133.68 1bw5 n PRO 26 Ca 0.13 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.48 1bw5 n PRO 26 Cb 0.60 -1.39 -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 -0.98 -0.04 0.00 0.00 175.50 174.48 1bw5 s ARG 27 N -2.00 0.90 0.11 0.54 1.70 -1.26 -5.02 118.95 113.92 1bw5 s ARG 27 Ca 0.19 -1.12 -0.02 0.00 -0.47 0.00 0.00 55.73 54.31 1bw5 s ARG 27 Cb 0.09 -0.47 0.03 0.00 -0.57 0.00 0.00 34.95 34.03 1bw5 s ARG 27 CO 0.15 -1.29 0.11 -0.35 -1.08 0.00 0.00 175.30 172.83 1bw5 n PRO 28 N 3.44 -1.14 -1.23 3.89 -0.04 -1.26 -5.09 135.00 133.57 1bw5 n PRO 28 Ca 0.18 -0.17 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1bw5 n PRO 28 Cb 0.52 -0.15 0.00 0.00 -0.04 0.00 0.00 33.50 33.83 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 -3.17 0.00 -0.32 3.54 5.68 -1.26 -4.99 116.55 116.03 1bw5 n ASP 29 Ca 0.01 -0.91 0.32 0.00 -0.50 0.00 0.00 54.79 53.71 1bw5 n ASP 29 Cb 0.06 0.00 0.68 0.00 -1.14 0.00 0.00 41.12 40.72 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 2.86 -3.00 2.12 0.00 -1.98 0.76 119.26 122.02 1bw5 h ALA 30 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1bw5 h ALA 30 Cb 0.00 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1bw5 h ALA 30 CO 0.00 -1.23 0.00 1.28 0.00 0.00 0.00 179.25 179.30 1bw5 n LEU 31 N -4.32 0.76 0.02 0.00 4.32 -1.26 -3.76 117.00 112.77 1bw5 n LEU 31 Ca 0.26 0.32 0.20 0.00 -0.02 0.00 0.00 56.01 56.76 1bw5 n LEU 31 Cb 1.14 0.00 0.70 0.00 -1.62 0.00 0.00 43.42 43.64 1bw5 n LEU 31 CO 0.36 0.00 1.18 0.24 -1.22 0.00 0.00 177.39 177.95 1bw5 h MET 32 N 0.00 0.00 -1.05 3.23 2.86 -1.93 -2.11 114.93 115.93 1bw5 h MET 32 Ca 0.00 0.00 0.31 0.00 -2.06 0.00 0.00 59.70 57.95 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 0.63 0.87 1.06 0.00 0.00 176.91 179.47 1bw5 h LYS 33 N 0.00 0.36 0.00 1.72 1.57 -0.93 0.24 116.57 119.54 1bw5 h LYS 33 Ca 0.23 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1bw5 h LYS 33 Cb 0.97 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.19 1bw5 h LYS 33 CO -0.00 0.24 0.00 0.39 -0.57 0.00 0.00 179.45 179.51 1bw5 n GLU 34 N -4.89 0.00 -0.34 3.15 -0.58 -0.79 -3.34 120.64 113.85 1bw5 n GLU 34 Ca 0.30 0.48 0.11 0.00 -0.42 0.00 0.00 57.16 57.63 1bw5 n GLU 34 Cb 0.96 -1.38 0.31 0.00 -0.57 0.00 0.00 31.44 30.76 1bw5 n GLU 34 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 1bw5 h GLN 35 N 0.00 0.79 -1.25 3.49 4.20 -1.64 -0.86 115.11 119.85 1bw5 h GLN 35 Ca 0.00 -0.05 0.41 0.00 0.06 0.00 0.00 58.65 59.07 1bw5 h GLN 35 Cb 0.00 -0.18 -0.13 0.00 0.30 0.00 0.00 27.48 27.47 1bw5 h GLN 35 CO 0.00 0.52 0.79 -0.07 -0.67 0.00 0.00 178.83 179.41 1bw5 h LEU 36 N 0.82 0.29 0.20 1.46 -0.00 -0.53 0.34 115.31 117.88 1bw5 h LEU 36 Ca 0.53 0.14 -0.01 0.00 -0.00 0.00 0.00 57.88 58.54 1bw5 h LEU 36 Cb 0.75 0.13 0.00 0.00 -0.00 0.00 0.00 40.66 41.54 1bw5 h LEU 36 CO -0.30 -0.17 -0.09 0.58 -0.00 0.00 0.00 178.44 178.45 1bw5 h VAL 37 N 0.13 0.82 -0.24 1.22 2.07 -1.15 -2.59 116.25 116.51 1bw5 h VAL 37 Ca 0.79 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 68.26 1bw5 h VAL 37 Cb 2.38 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.99 1bw5 h VAL 37 CO -0.45 0.01 0.10 -0.08 0.02 0.00 0.00 177.57 177.17 1bw5 h GLU 38 N -0.28 0.33 0.84 1.57 4.81 -0.47 1.66 114.58 123.03 1bw5 h GLU 38 Ca -0.03 -0.03 -0.04 0.00 -0.13 0.00 0.00 59.36 59.13 1bw5 h GLU 38 Cb 0.22 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.53 1bw5 h GLU 38 CO 0.04 0.27 -0.48 0.52 -0.73 0.00 0.00 179.01 178.63 1bw5 h MET 39 N 0.33 -1.19 0.00 1.92 2.86 -0.97 -3.27 114.93 114.61 1bw5 h MET 39 Ca 0.08 0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.81 1bw5 h MET 39 Cb 0.07 0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.00 1bw5 h MET 39 CO -0.01 -0.79 -0.90 -2.37 1.06 0.00 0.00 176.91 173.90 1bw5 n THR 40 N -5.55 0.01 -0.11 2.22 5.66 -1.15 -4.94 114.28 110.42 1bw5 n THR 40 Ca -0.15 -0.03 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1bw5 n THR 40 Cb 0.50 0.72 0.00 0.00 -1.55 0.00 0.00 70.33 70.01 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 0.82 3.83 1.09 0.00 0.57 -4.94 105.19 108.03 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 3.17 0.70 0.99 1.02 -1.26 -4.97 118.68 118.34 1bw5 s LEU 42 Ca 0.00 1.60 -0.14 0.00 0.02 0.00 0.00 54.13 55.61 1bw5 s LEU 42 Cb 0.00 -4.49 0.02 0.00 0.02 0.00 0.00 46.19 41.74 1bw5 s LEU 42 CO 0.00 -1.34 1.11 -0.94 0.02 0.00 0.00 176.35 175.21 1bw5 s SER 43 N -3.78 4.81 0.52 2.29 1.04 -1.26 -4.81 113.70 112.51 1bw5 s SER 43 Ca 0.58 1.99 0.17 0.00 0.48 0.00 0.00 55.95 59.17 1bw5 s SER 43 Cb -0.14 -2.55 1.32 0.00 0.10 0.00 0.00 66.02 64.75 1bw5 s SER 43 CO 0.54 -1.83 2.15 1.55 0.98 0.00 0.00 173.24 176.62 1bw5 h PRO 44 N -0.36 0.00 -0.33 4.02 0.13 -1.97 -3.00 132.00 130.49 1bw5 h PRO 44 Ca -0.46 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.74 1bw5 h PRO 44 Cb 1.25 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.29 1bw5 h PRO 44 CO 0.53 0.01 -0.28 -0.09 -0.23 0.00 0.00 178.00 177.94 1bw5 h ARG 45 N 0.00 -0.24 -0.15 0.86 2.43 -2.01 -1.91 114.38 113.36 1bw5 h ARG 45 Ca -0.00 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1bw5 h ARG 45 Cb 0.02 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.62 1bw5 h ARG 45 CO 0.00 -0.16 0.08 0.28 -1.51 0.00 0.00 179.97 178.66 1bw5 h VAL 46 N -0.25 1.11 -0.74 0.20 2.07 -1.91 -3.00 116.25 113.74 1bw5 h VAL 46 Ca 0.16 -0.32 0.11 0.00 0.82 0.00 0.00 66.70 67.47 1bw5 h VAL 46 Cb 0.50 1.05 -0.08 0.00 -1.52 0.00 0.00 31.29 31.24 1bw5 h VAL 46 CO -0.47 0.10 0.36 0.40 0.02 0.00 0.00 177.57 177.98 1bw5 h ILE 47 N 0.13 0.81 -0.04 4.57 2.04 -1.53 -1.65 117.51 121.83 1bw5 h ILE 47 Ca 0.05 -0.20 0.03 0.00 1.00 0.00 0.00 64.86 65.74 1bw5 h ILE 47 Cb 0.10 0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 36.28 1bw5 h ILE 47 CO -0.01 0.11 -0.47 -0.09 0.00 0.00 0.00 178.15 177.69 1bw5 h ARG 48 N 0.59 -0.57 -0.14 2.37 1.12 -1.21 -1.90 114.38 114.64 1bw5 h ARG 48 Ca 0.38 0.04 -0.05 0.00 -1.11 0.00 0.00 59.98 59.24 1bw5 h ARG 48 Cb 0.44 0.13 -0.01 0.00 -0.01 0.00 0.00 29.97 30.52 1bw5 h ARG 48 CO -0.30 -0.38 -0.13 -0.24 -3.11 0.00 0.00 179.97 175.80 1bw5 h VAL 49 N -0.60 1.18 0.19 0.20 3.04 -1.49 -3.19 116.25 115.57 1bw5 h VAL 49 Ca 0.04 -0.78 -0.00 0.00 -1.01 0.00 0.00 66.70 64.94 1bw5 h VAL 49 Cb 0.68 1.22 -0.01 0.00 -2.01 0.00 0.00 31.29 31.17 1bw5 h VAL 49 CO -0.36 0.24 -0.23 -0.25 -1.01 0.00 0.00 177.57 175.97 1bw5 h TRP 50 N 0.22 -0.64 -0.53 3.17 7.01 -0.46 0.11 115.95 124.82 1bw5 h TRP 50 Ca 0.04 0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.16 1bw5 h TRP 50 Cb 0.38 0.25 -0.09 0.00 -2.10 0.00 0.00 29.16 27.60 1bw5 h TRP 50 CO 0.01 -0.29 -0.05 0.74 -2.79 0.00 0.00 178.44 176.06 1bw5 h PHE 51 N -0.42 -0.13 0.03 2.65 0.04 -1.61 0.21 116.94 117.71 1bw5 h PHE 51 Ca -0.02 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.79 1bw5 h PHE 51 Cb 0.38 0.14 -0.00 0.00 2.20 0.00 0.00 35.95 38.66 1bw5 h PHE 51 CO -0.20 -0.17 -0.03 0.37 -0.60 0.00 0.00 178.31 177.69 1bw5 h GLN 52 N 0.07 -0.05 -1.00 1.51 4.15 -1.49 -2.61 115.11 115.70 1bw5 h GLN 52 Ca 0.27 0.00 0.25 0.00 0.77 0.00 0.00 58.65 59.94 1bw5 h GLN 52 Cb 0.42 0.01 -0.08 0.00 0.21 0.00 0.00 27.48 28.04 1bw5 h GLN 52 CO -0.49 -0.03 0.66 -0.97 -1.93 0.00 0.00 178.83 176.07 1bw5 h ASN 53 N -0.05 0.36 -1.02 -0.69 -0.73 -0.57 -1.19 115.58 111.69 1bw5 h ASN 53 Ca -0.00 0.05 0.26 0.00 1.87 0.00 0.00 56.30 58.48 1bw5 h ASN 53 Cb 0.04 -0.01 -0.12 0.00 0.27 0.00 0.00 38.32 38.50 1bw5 h ASN 53 CO -0.00 0.10 0.61 0.50 -0.37 0.00 0.00 177.43 178.27 1bw5 h LYS 54 N 0.33 0.50 0.00 6.67 1.63 -0.18 0.16 116.57 125.69 1bw5 h LYS 54 Ca 0.53 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.30 1bw5 h LYS 54 Cb 1.47 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 32.99 1bw5 h LYS 54 CO -0.20 0.33 0.00 -2.13 -3.45 0.00 0.00 179.45 173.99 1bw5 n ARG 55 N -4.86 0.00 0.03 1.90 0.63 -0.45 -0.15 116.66 113.75 1bw5 n ARG 55 Ca 0.28 0.66 0.06 0.00 -0.92 0.00 0.00 57.85 57.93 1bw5 n ARG 55 Cb 0.81 -1.49 0.48 0.00 0.45 0.00 0.00 32.46 32.71 1bw5 n ARG 55 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1bw5 h LYS 57 N 0.42 1.13 -1.43 0.00 3.11 -0.27 -3.44 116.57 116.09 1bw5 h LYS 57 Ca 0.15 -0.11 0.13 0.00 -2.81 0.00 0.00 60.65 58.01 1bw5 h LYS 57 Cb 0.08 -0.23 -0.28 0.00 -1.00 0.00 0.00 32.23 30.81 1bw5 h LYS 57 CO -0.03 0.81 0.42 0.34 -2.81 0.00 0.00 179.45 178.17 1bw5 s ASP 58 N -6.09 -0.45 0.00 4.20 2.15 0.78 -5.06 116.67 112.21 1bw5 s ASP 58 Ca -0.13 0.72 -0.07 0.00 0.43 0.00 0.00 52.55 53.50 1bw5 s ASP 58 Cb 0.16 1.21 -0.04 0.00 -0.30 0.00 0.00 42.92 43.95 1bw5 s ASP 58 CO 0.81 -0.11 0.85 0.50 -0.17 0.00 0.00 175.17 177.04 1bw5 h LYS 59 N 6.05 -0.24 0.00 4.34 1.63 -1.79 -3.39 116.57 123.16 1bw5 h LYS 59 Ca -0.27 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.55 1bw5 h LYS 59 Cb 1.18 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.87 1bw5 h LYS 59 CO 0.19 -0.16 0.00 1.63 -3.45 0.00 0.00 179.45 177.66 1bw5 n LYS 60 N -2.86 0.00 -0.93 1.90 5.02 -1.26 -5.00 118.16 115.02 1bw5 n LYS 60 Ca -0.03 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.23 1bw5 n LYS 60 Cb 0.10 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.10 1bw5 n LYS 60 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 1bw5 n ARG 61 N -0.66 -1.92 -3.24 1.97 0.63 -1.26 -4.89 116.66 107.29 1bw5 n ARG 61 Ca 0.00 0.51 -0.46 0.00 -0.92 0.00 0.00 57.85 56.98 1bw5 n ARG 61 Cb 0.00 -4.71 -0.03 0.00 0.45 0.00 0.00 32.46 28.17 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 -1.80 6.56 0.00 6.15 0.01 -1.26 -4.78 113.70 118.59 1bw5 s SER 62 Ca 0.00 -2.27 0.00 0.00 1.31 0.00 0.00 55.95 54.99 1bw5 s SER 62 Cb 0.00 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.98 1bw5 s SER 62 CO 0.00 -0.76 0.71 -0.38 0.41 0.00 0.00 173.24 173.22 1bw5 n ILE 63 N 4.62 0.48 -3.16 1.44 5.41 -1.26 -5.07 119.36 121.82 1bw5 n ILE 63 Ca 0.07 -0.68 -0.18 0.00 1.00 0.00 0.00 62.75 62.96 1bw5 n ILE 63 Cb 0.45 0.81 0.02 0.00 -0.71 0.00 0.00 39.64 40.22 1bw5 n ILE 63 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 176.55 176.78 1bw5 n MET 64 N -0.24 -1.01 -2.19 0.38 2.81 -1.26 -4.72 117.12 110.90 1bw5 n MET 64 Ca 0.00 1.01 -0.42 0.00 -1.81 0.00 0.00 57.70 56.48 1bw5 n MET 64 Cb 0.17 -1.37 -0.03 0.00 -0.71 0.00 0.00 33.22 31.28 1bw5 n MET 64 CO 0.00 0.00 0.00 -1.64 1.51 0.00 0.00 175.97 175.84 1bw5 s MET 65 N -1.60 3.25 0.00 0.03 -1.94 -1.26 -5.33 119.30 112.46 1bw5 s MET 65 Ca 0.18 0.92 0.00 0.00 -1.71 0.00 0.00 55.69 55.08 1bw5 s MET 65 Cb -0.02 -4.17 0.00 0.00 2.01 0.00 0.00 34.83 32.65 1bw5 s MET 65 CO 0.41 -1.97 0.00 1.17 -0.01 0.00 0.00 175.02 174.62