#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 4.12 -0.07 2.12 1.02 -1.26 -5.07 119.74 120.60 1bw5 s LYS 2 Ca 0.00 -0.25 -0.22 0.00 0.02 0.00 0.00 55.97 55.52 1bw5 s LYS 2 Cb 0.00 -3.47 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 1bw5 s LYS 2 CO 0.00 0.18 0.64 0.95 -0.92 0.00 0.00 175.35 176.20 1bw5 s THR 3 N 0.71 5.07 -0.34 2.17 -4.23 -1.26 -4.97 115.64 112.79 1bw5 s THR 3 Ca 0.08 1.31 -0.38 0.00 -1.18 0.00 0.00 61.69 61.51 1bw5 s THR 3 Cb -0.12 -3.98 -0.14 0.00 1.34 0.00 0.00 72.50 69.60 1bw5 s THR 3 CO 0.01 0.28 2.03 1.07 -0.54 0.00 0.00 174.62 177.48 1bw5 n THR 4 N 3.66 0.21 -1.22 3.99 5.66 -1.26 -4.90 114.28 120.41 1bw5 n THR 4 Ca -0.03 -0.15 -0.30 0.00 -3.05 0.00 0.00 64.05 60.52 1bw5 n THR 4 Cb 0.51 -1.35 0.23 0.00 -1.55 0.00 0.00 70.33 68.17 1bw5 n THR 4 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1bw5 s ARG 5 N 5.29 -0.83 -0.04 1.09 1.81 -1.26 -4.52 118.95 120.48 1bw5 s ARG 5 Ca 1.07 -0.09 -0.04 0.00 -1.72 0.00 0.00 55.73 54.95 1bw5 s ARG 5 Cb -1.02 -1.64 0.01 0.00 -0.45 0.00 0.00 34.95 31.84 1bw5 s ARG 5 CO 0.57 -3.45 0.07 1.55 -0.68 0.00 0.00 175.30 173.36 1bw5 n VAL 6 N -4.57 -2.03 -1.68 3.52 3.14 -1.26 -4.70 118.33 110.76 1bw5 n VAL 6 Ca 0.13 0.42 -0.46 0.00 -2.96 0.00 0.00 64.34 61.47 1bw5 n VAL 6 Cb 0.59 -2.82 -0.04 0.00 -1.06 0.00 0.00 33.84 30.51 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 1.08 2.26 -3.54 1.45 1.74 -1.26 -4.95 116.66 113.44 1bw5 n ARG 7 Ca -0.01 0.82 -0.33 0.00 -0.77 0.00 0.00 57.85 57.56 1bw5 n ARG 7 Cb 0.48 -2.63 -0.05 0.00 -1.02 0.00 0.00 32.46 29.24 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1bw5 s THR 8 N 2.13 5.04 0.00 0.55 -4.23 -1.26 -4.97 115.64 112.90 1bw5 s THR 8 Ca 0.83 0.34 0.05 0.00 -1.18 0.00 0.00 61.69 61.73 1bw5 s THR 8 Cb -0.65 -3.63 0.09 0.00 1.34 0.00 0.00 72.50 69.64 1bw5 s THR 8 CO 0.42 0.06 0.90 1.33 -0.54 0.00 0.00 174.62 176.79 1bw5 n VAL 9 N 0.22 0.00 -2.74 2.29 0.24 -1.26 -5.09 118.33 111.98 1bw5 n VAL 9 Ca -0.03 -0.21 -0.42 0.00 -2.04 0.00 0.00 64.34 61.65 1bw5 n VAL 9 Cb 0.52 0.47 -0.03 0.00 -1.47 0.00 0.00 33.84 33.33 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 0.00 4.33 0.00 1.34 2.01 -1.26 -4.97 118.68 120.13 1bw5 s LEU 10 Ca 0.07 1.57 0.00 0.00 0.01 0.00 0.00 54.13 55.78 1bw5 s LEU 10 Cb 0.08 -3.51 0.00 0.00 0.01 0.00 0.00 46.19 42.77 1bw5 s LEU 10 CO -0.03 -0.29 0.00 -0.46 1.01 0.00 0.00 176.35 176.58 1bw5 n ASN 11 N 4.15 0.00 0.03 2.29 0.23 -1.26 -4.96 115.26 115.74 1bw5 n ASN 11 Ca 0.06 -0.42 0.19 0.00 -0.53 0.00 0.00 54.58 53.88 1bw5 n ASN 11 Cb 0.51 0.00 0.47 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 4.81 -1.98 -0.89 114.58 112.69 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 -3.16 0.00 0.26 1.92 4.01 -1.26 -3.76 118.16 116.16 1bw5 n LYS 13 Ca 0.12 0.00 0.08 0.00 -0.51 0.00 0.00 58.31 58.00 1bw5 n LYS 13 Cb 1.08 -0.65 0.65 0.00 -0.51 0.00 0.00 35.03 35.59 1bw5 n LYS 13 CO 0.00 0.00 0.00 1.96 -1.11 0.00 0.00 177.40 178.25 1bw5 h GLN 14 N 0.00 0.00 -0.36 1.97 4.20 -1.92 -3.07 115.11 115.94 1bw5 h GLN 14 Ca 0.00 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.78 1bw5 h GLN 14 Cb 0.00 0.00 -0.09 0.00 0.30 0.00 0.00 27.48 27.69 1bw5 h GLN 14 CO 0.00 0.04 -0.35 1.25 -0.67 0.00 0.00 178.83 179.10 1bw5 h LEU 15 N 0.00 -1.14 -0.55 1.46 7.12 -1.31 -2.12 115.31 118.76 1bw5 h LEU 15 Ca -0.00 0.19 0.11 0.00 0.13 0.00 0.00 57.88 58.30 1bw5 h LEU 15 Cb 0.08 0.52 -0.11 0.00 -0.53 0.00 0.00 40.66 40.62 1bw5 h LEU 15 CO 0.01 -0.34 -0.28 -0.74 -0.13 0.00 0.00 178.44 176.96 1bw5 h HIS 16 N -0.29 -0.73 0.25 1.25 2.76 -1.62 0.91 115.15 117.67 1bw5 h HIS 16 Ca 0.15 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.38 1bw5 h HIS 16 Cb 0.55 0.41 -0.01 0.00 1.55 0.00 0.00 27.41 29.91 1bw5 h HIS 16 CO -0.54 -0.35 -0.24 1.15 -1.30 0.00 0.00 177.93 176.65 1bw5 h THR 17 N -0.14 0.00 -1.00 6.26 2.02 -1.55 -2.56 112.91 115.94 1bw5 h THR 17 Ca 0.24 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.63 1bw5 h THR 17 Cb 0.52 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.82 1bw5 h THR 17 CO -0.64 0.00 0.61 -0.07 0.37 0.00 0.00 175.52 175.79 1bw5 h LEU 18 N -0.49 0.73 -0.90 2.58 3.38 -1.23 -1.60 115.31 117.78 1bw5 h LEU 18 Ca -0.03 0.10 0.25 0.00 0.09 0.00 0.00 57.88 58.30 1bw5 h LEU 18 Cb 0.42 -0.02 -0.15 0.00 0.09 0.00 0.00 40.66 41.00 1bw5 h LEU 18 CO -0.02 0.22 0.24 0.03 0.09 0.00 0.00 178.44 178.99 1bw5 h ARG 19 N 0.68 0.17 -0.05 1.13 3.08 -0.39 0.61 114.38 119.61 1bw5 h ARG 19 Ca 0.59 -0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.57 1bw5 h ARG 19 Cb 1.03 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.03 1bw5 h ARG 19 CO -0.40 0.11 -0.27 0.00 -1.07 0.00 0.00 179.97 178.35 1bw5 h THR 20 N 0.18 1.22 0.78 2.04 1.03 -1.25 -2.99 112.91 113.91 1bw5 h THR 20 Ca 0.58 -1.02 -0.04 0.00 -0.01 0.00 0.00 66.41 65.92 1bw5 h THR 20 Cb 1.21 1.47 0.01 0.00 -1.07 0.00 0.00 68.15 69.77 1bw5 h THR 20 CO -0.69 0.30 -0.38 0.00 -0.01 0.00 0.00 175.52 174.74 1bw5 h TYR 22 N -1.22 1.02 -0.19 0.00 3.20 -1.50 0.46 116.97 118.75 1bw5 h TYR 22 Ca -0.11 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.85 1bw5 h TYR 22 Cb 0.80 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.77 1bw5 h TYR 22 CO 0.01 0.10 0.39 0.00 -1.64 0.00 0.00 178.16 177.03 1bw5 h ALA 23 N 1.71 1.70 0.00 1.82 0.00 -1.41 -2.69 119.26 120.39 1bw5 h ALA 23 Ca 0.63 -0.01 -0.38 0.00 0.00 0.00 0.00 54.91 55.16 1bw5 h ALA 23 Cb 1.17 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 1bw5 h ALA 23 CO -0.45 -0.49 -2.07 0.00 0.00 0.00 0.00 179.25 176.24 1bw5 n ALA 24 N -2.09 1.05 -3.57 0.00 0.00 0.16 -5.01 120.51 111.05 1bw5 n ALA 24 Ca 0.02 -0.87 -0.11 0.00 0.00 0.00 0.00 53.44 52.48 1bw5 n ALA 24 Cb 0.50 -0.14 -0.09 0.00 0.00 0.00 0.00 19.45 19.72 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 -7.23 -0.64 0.00 0.00 -0.87 -1.01 -5.02 114.94 100.17 1bw5 s ASN 25 Ca -0.35 1.13 0.10 0.00 -1.57 0.00 0.00 52.86 52.17 1bw5 s ASN 25 Cb 0.11 1.07 0.59 0.00 -0.02 0.00 0.00 41.25 43.00 1bw5 s ASN 25 CO 0.54 -0.20 1.37 -0.81 -2.57 0.00 0.00 177.10 175.43 1bw5 n PRO 26 N 3.64 0.99 -3.35 -0.60 -0.04 -1.26 -4.33 135.00 130.05 1bw5 n PRO 26 Ca -0.18 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.15 1bw5 n PRO 26 Cb 0.57 -1.16 -0.07 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.41 0.63 0.54 3.52 -1.26 -5.06 118.95 115.73 1bw5 s ARG 27 Ca 0.15 -0.11 -0.11 0.00 -0.13 0.00 0.00 55.73 55.54 1bw5 s ARG 27 Cb 0.07 -0.48 0.15 0.00 -1.56 0.00 0.00 34.95 33.12 1bw5 s ARG 27 CO 0.12 -1.06 0.77 -0.35 -0.81 0.00 0.00 175.30 173.96 1bw5 n PRO 28 N 5.19 -1.15 -0.38 5.12 -0.04 -1.26 -5.09 135.00 137.38 1bw5 n PRO 28 Ca 0.01 -1.19 0.00 0.00 -0.04 0.00 0.00 63.50 62.28 1bw5 n PRO 28 Cb 0.48 -0.86 0.00 0.00 -0.04 0.00 0.00 33.50 33.07 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 -3.67 0.00 -0.32 3.54 2.03 -1.26 -5.00 116.55 111.87 1bw5 n ASP 29 Ca 0.10 -0.34 0.35 0.00 0.52 0.00 0.00 54.79 55.43 1bw5 n ASP 29 Cb 0.35 0.00 0.74 0.00 -0.72 0.00 0.00 41.12 41.48 1bw5 n ASP 29 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1bw5 h ALA 30 N 2.00 3.10 -3.00 -1.67 0.00 -1.99 -1.50 119.26 116.20 1bw5 h ALA 30 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bw5 h ALA 30 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1bw5 h ALA 30 CO 0.00 -1.52 0.00 1.28 0.00 0.00 0.00 179.25 179.01 1bw5 n LEU 31 N -4.02 1.44 -0.05 0.00 7.99 -1.26 -4.12 117.00 116.97 1bw5 n LEU 31 Ca 0.26 0.21 0.15 0.00 -0.01 0.00 0.00 56.01 56.62 1bw5 n LEU 31 Cb 1.30 0.00 0.58 0.00 -0.11 0.00 0.00 43.42 45.18 1bw5 n LEU 31 CO 0.38 0.00 1.18 0.24 -1.51 0.00 0.00 177.39 177.69 1bw5 h MET 32 N 0.00 0.24 -0.72 3.23 2.86 -1.95 -2.33 114.93 116.26 1bw5 h MET 32 Ca 0.00 -0.01 0.21 0.00 -2.06 0.00 0.00 59.70 57.84 1bw5 h MET 32 Cb 0.00 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 1bw5 h MET 32 CO 0.00 0.16 0.70 1.57 1.06 0.00 0.00 176.91 180.40 1bw5 h LYS 33 N 0.24 0.00 0.27 1.72 5.09 -1.42 -0.26 116.57 122.21 1bw5 h LYS 33 Ca 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 60.65 60.99 1bw5 h LYS 33 Cb 0.73 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.06 1bw5 h LYS 33 CO -0.05 0.00 -0.13 1.49 -2.09 0.00 0.00 179.45 178.67 1bw5 h GLU 34 N 0.00 -0.35 0.00 0.07 4.81 -1.57 -3.32 114.58 114.22 1bw5 h GLU 34 Ca 0.34 0.02 -0.06 0.00 -0.13 0.00 0.00 59.36 59.54 1bw5 h GLU 34 Cb 1.74 0.08 -0.01 0.00 0.63 0.00 0.00 28.75 31.19 1bw5 h GLU 34 CO -0.00 -0.23 -0.27 1.96 -0.73 0.00 0.00 179.01 179.73 1bw5 h GLN 35 N -0.55 0.00 -0.89 1.92 4.20 -1.64 -3.10 115.11 115.05 1bw5 h GLN 35 Ca -0.04 0.00 0.21 0.00 0.06 0.00 0.00 58.65 58.88 1bw5 h GLN 35 Cb 0.28 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 27.94 1bw5 h GLN 35 CO 0.06 0.27 0.41 -0.07 -0.67 0.00 0.00 178.83 178.84 1bw5 h LEU 36 N 0.00 0.38 0.40 1.46 -0.00 -1.15 -1.13 115.31 115.28 1bw5 h LEU 36 Ca -0.00 0.14 -0.02 0.00 -0.00 0.00 0.00 57.88 58.00 1bw5 h LEU 36 Cb 0.50 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 1bw5 h LEU 36 CO 0.04 0.04 -0.19 0.58 -0.00 0.00 0.00 178.44 178.91 1bw5 h VAL 37 N 0.45 0.61 -0.19 1.22 2.07 -1.64 -2.65 116.25 116.11 1bw5 h VAL 37 Ca 0.55 -0.16 0.06 0.00 0.82 0.00 0.00 66.70 67.96 1bw5 h VAL 37 Cb 0.99 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 1bw5 h VAL 37 CO -0.50 0.03 0.15 -0.08 0.02 0.00 0.00 177.57 177.20 1bw5 h GLU 38 N -0.63 0.00 -0.13 1.57 4.57 -1.41 0.61 114.58 119.16 1bw5 h GLU 38 Ca -0.06 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1bw5 h GLU 38 Cb 0.46 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.05 1bw5 h GLU 38 CO 0.09 0.00 0.05 0.52 -1.18 0.00 0.00 179.01 178.49 1bw5 h MET 39 N 0.00 0.19 0.00 1.92 2.86 -0.88 -3.32 114.93 115.70 1bw5 h MET 39 Ca 0.09 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1bw5 h MET 39 Cb 0.40 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1bw5 h MET 39 CO -0.00 0.30 -1.26 -2.37 1.06 0.00 0.00 176.91 174.64 1bw5 n THR 40 N -4.89 0.00 -0.13 2.22 5.66 -1.02 -4.98 114.28 111.15 1bw5 n THR 40 Ca -0.05 -0.26 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 1bw5 n THR 40 Cb 0.12 0.55 0.00 0.00 -1.55 0.00 0.00 70.33 69.45 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 2.65 3.84 1.09 0.00 0.21 -5.00 105.19 109.46 1bw5 n GLY 41 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 3.60 0.93 0.99 1.02 -1.26 -4.99 118.68 118.97 1bw5 s LEU 42 Ca 0.00 1.59 -0.11 0.00 0.02 0.00 0.00 54.13 55.63 1bw5 s LEU 42 Cb 0.00 -4.51 0.15 0.00 0.02 0.00 0.00 46.19 41.85 1bw5 s LEU 42 CO 0.00 -0.65 1.11 -0.44 0.02 0.00 0.00 176.35 176.39 1bw5 s SER 43 N -3.09 2.94 0.45 2.29 0.01 -1.26 -4.77 113.70 110.27 1bw5 s SER 43 Ca 0.59 1.90 0.23 0.00 1.31 0.00 0.00 55.95 59.99 1bw5 s SER 43 Cb -0.10 -2.46 1.03 0.00 0.21 0.00 0.00 66.02 64.70 1bw5 s SER 43 CO 0.33 -3.04 1.88 1.55 0.41 0.00 0.00 173.24 174.37 1bw5 h PRO 44 N -1.82 0.00 -0.07 12.44 0.13 -1.97 -3.17 132.00 137.54 1bw5 h PRO 44 Ca -0.47 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.67 1bw5 h PRO 44 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.39 1bw5 h PRO 44 CO 0.47 0.23 -0.15 0.00 -0.23 0.00 0.00 178.00 178.32 1bw5 h ARG 45 N 0.00 -0.13 -0.50 0.86 2.47 -2.01 -0.52 114.38 114.55 1bw5 h ARG 45 Ca -0.00 0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.73 1bw5 h ARG 45 Cb 0.64 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.97 1bw5 h ARG 45 CO 0.03 -0.09 0.33 0.28 0.56 0.00 0.00 179.97 181.08 1bw5 h VAL 46 N -0.14 1.13 -0.72 2.04 2.07 -1.94 -2.09 116.25 116.59 1bw5 h VAL 46 Ca 0.01 -0.25 0.09 0.00 0.82 0.00 0.00 66.70 67.38 1bw5 h VAL 46 Cb 0.18 0.40 -0.07 0.00 -1.52 0.00 0.00 31.29 30.28 1bw5 h VAL 46 CO -0.14 0.13 0.37 0.40 0.02 0.00 0.00 177.57 178.35 1bw5 h ILE 47 N 0.68 0.85 0.40 4.57 1.08 -1.25 -2.59 117.51 121.25 1bw5 h ILE 47 Ca 0.18 -0.21 -0.01 0.00 -0.39 0.00 0.00 64.86 64.43 1bw5 h ILE 47 Cb -0.07 0.18 -0.02 0.00 -3.07 0.00 0.00 36.82 33.84 1bw5 h ILE 47 CO -0.04 0.11 -0.36 -0.09 -0.69 0.00 0.00 178.15 177.09 1bw5 h ARG 48 N 0.62 -0.74 -0.64 2.37 2.43 -0.40 -2.75 114.38 115.26 1bw5 h ARG 48 Ca 0.36 0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.72 1bw5 h ARG 48 Cb 0.37 0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 1bw5 h ARG 48 CO -0.27 -0.49 0.44 -0.24 -1.51 0.00 0.00 179.97 177.90 1bw5 h VAL 49 N -0.76 0.79 0.58 0.20 3.04 -1.46 -2.81 116.25 115.82 1bw5 h VAL 49 Ca -0.03 -0.09 -0.03 0.00 -1.01 0.00 0.00 66.70 65.55 1bw5 h VAL 49 Cb 0.67 0.51 0.00 0.00 -2.01 0.00 0.00 31.29 30.47 1bw5 h VAL 49 CO -0.04 0.05 -0.32 -0.25 -1.01 0.00 0.00 177.57 175.99 1bw5 h TRP 50 N 0.25 -0.86 0.02 3.17 7.01 -1.17 -3.28 115.95 121.08 1bw5 h TRP 50 Ca 0.31 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.30 1bw5 h TRP 50 Cb 0.87 0.30 -0.02 0.00 -2.10 0.00 0.00 29.16 28.21 1bw5 h TRP 50 CO -0.00 -0.50 -0.20 0.74 -2.79 0.00 0.00 178.44 175.69 1bw5 h PHE 51 N -0.84 -0.58 0.00 2.65 0.04 -1.52 0.33 116.94 117.02 1bw5 h PHE 51 Ca -0.08 0.02 0.00 0.00 2.80 0.00 0.00 57.97 60.71 1bw5 h PHE 51 Cb 0.66 0.25 0.00 0.00 2.20 0.00 0.00 35.95 39.06 1bw5 h PHE 51 CO 0.01 -0.22 0.77 0.94 -0.60 0.00 0.00 178.31 179.21 1bw5 n GLN 52 N -3.59 0.00 0.00 1.51 7.27 -1.08 -1.90 117.38 119.59 1bw5 n GLN 52 Ca -0.03 -0.28 0.00 0.00 0.07 0.00 0.00 57.00 56.76 1bw5 n GLN 52 Cb 0.15 -1.77 0.00 0.00 2.41 0.00 0.00 30.24 31.03 1bw5 n GLN 52 CO 0.00 0.00 0.00 -1.71 0.07 0.00 0.00 177.06 175.42 1bw5 n ASN 53 N 4.11 0.00 0.01 1.69 2.85 -1.07 -4.91 115.26 117.93 1bw5 n ASN 53 Ca 0.00 0.00 0.23 0.00 -0.11 0.00 0.00 54.58 54.70 1bw5 n ASN 53 Cb 0.00 0.00 0.70 0.00 1.24 0.00 0.00 39.78 41.72 1bw5 n ASN 53 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1bw5 h LYS 54 N 0.00 0.00 -0.00 1.20 1.63 -0.21 -2.71 116.57 116.48 1bw5 h LYS 54 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 1bw5 h LYS 54 Cb 0.00 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.63 1bw5 h LYS 54 CO 0.00 0.00 -0.02 0.00 -3.45 0.00 0.00 179.45 175.98 1bw5 h ARG 55 N 0.00 -0.02 -0.85 1.90 3.08 -1.85 0.55 114.38 117.19 1bw5 h ARG 55 Ca 0.28 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.43 1bw5 h ARG 55 Cb 1.48 0.01 -0.08 0.00 0.08 0.00 0.00 29.97 31.46 1bw5 h ARG 55 CO -0.00 -0.02 0.48 0.00 -1.07 0.00 0.00 179.97 179.36 1bw5 h LYS 57 N 0.79 0.00 0.00 0.00 1.57 -1.41 -2.37 116.57 115.14 1bw5 h LYS 57 Ca 0.42 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.20 1bw5 h LYS 57 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1bw5 h LYS 57 CO -0.27 0.22 0.00 -0.25 -0.57 0.00 0.00 179.45 178.58 1bw5 n ASP 58 N -4.16 0.54 -4.64 0.86 8.00 0.19 -4.70 116.55 112.63 1bw5 n ASP 58 Ca -0.02 0.69 -0.42 0.00 0.71 0.00 0.00 54.79 55.75 1bw5 n ASP 58 Cb 0.28 -0.78 -0.03 0.00 -0.02 0.00 0.00 41.12 40.57 1bw5 n ASP 58 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1bw5 s LYS 59 N -3.39 3.85 0.07 -1.24 2.20 -0.90 -4.37 119.74 115.96 1bw5 s LYS 59 Ca 0.01 2.33 0.00 0.00 -0.36 0.00 0.00 55.97 57.95 1bw5 s LYS 59 Cb 0.07 -4.19 0.00 0.00 -1.51 0.00 0.00 37.83 32.20 1bw5 s LYS 59 CO 0.27 -1.28 0.00 1.17 -0.36 0.00 0.00 175.35 175.15 1bw5 n LYS 60 N 7.83 -4.64 0.00 4.03 4.81 -1.26 -5.04 118.16 123.90 1bw5 n LYS 60 Ca 0.22 3.40 0.00 0.00 -0.87 0.00 0.00 58.31 61.07 1bw5 n LYS 60 Cb 0.43 -4.04 0.00 0.00 0.02 0.00 0.00 35.03 31.43 1bw5 n LYS 60 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1bw5 n ARG 61 N 1.61 0.00 -2.53 1.64 0.63 -1.26 -5.12 116.66 111.63 1bw5 n ARG 61 Ca 0.00 0.00 -0.26 0.00 -0.92 0.00 0.00 57.85 56.67 1bw5 n ARG 61 Cb 0.00 0.00 0.02 0.00 0.45 0.00 0.00 32.46 32.93 1bw5 n ARG 61 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1bw5 s SER 62 N -1.72 5.74 -0.08 6.15 1.04 -1.26 -5.06 113.70 118.52 1bw5 s SER 62 Ca 0.00 0.67 -0.16 0.00 0.48 0.00 0.00 55.95 56.94 1bw5 s SER 62 Cb 0.00 -1.76 -0.05 0.00 0.10 0.00 0.00 66.02 64.31 1bw5 s SER 62 CO 0.00 -0.92 0.42 -0.63 0.98 0.00 0.00 173.24 173.09 1bw5 s ILE 63 N -2.88 5.14 0.00 -1.02 -1.09 -1.26 -4.96 121.20 115.13 1bw5 s ILE 63 Ca 0.52 0.85 0.00 0.00 -2.23 0.00 0.00 60.65 59.79 1bw5 s ILE 63 Cb -0.10 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.03 1bw5 s ILE 63 CO 0.44 0.44 0.86 0.23 -1.23 0.00 0.00 174.94 175.68 1bw5 n MET 64 N 2.90 1.90 -1.90 2.79 2.81 -1.26 -4.99 117.12 119.37 1bw5 n MET 64 Ca -0.11 -1.22 -0.40 0.00 -1.81 0.00 0.00 57.70 54.16 1bw5 n MET 64 Cb 0.52 -1.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.01 1bw5 n MET 64 CO 0.00 0.00 0.00 1.41 1.51 0.00 0.00 175.97 178.89 1bw5 s MET 65 N -0.72 2.89 0.00 0.03 0.00 -1.26 -5.32 119.30 114.92 1bw5 s MET 65 Ca 0.00 1.24 0.29 0.00 0.00 0.00 0.00 55.69 57.22 1bw5 s MET 65 Cb 0.00 -4.34 1.22 0.00 0.00 0.00 0.00 34.83 31.72 1bw5 s MET 65 CO 0.00 -2.38 1.84 1.63 0.00 0.00 0.00 175.02 176.11