#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 2.35 -0.83 3.17 2.20 -1.26 -4.90 119.74 120.48 1bw5 s LYS 2 Ca 0.00 0.96 -0.25 0.00 -0.36 0.00 0.00 55.97 56.32 1bw5 s LYS 2 Cb 0.00 -4.50 -0.01 0.00 -1.51 0.00 0.00 37.83 31.80 1bw5 s LYS 2 CO 0.00 -3.04 1.76 0.95 -0.36 0.00 0.00 175.35 174.66 1bw5 s THR 3 N 10.69 3.53 0.66 3.43 -4.23 -1.26 -4.96 115.64 123.51 1bw5 s THR 3 Ca 0.82 -0.20 -0.17 0.00 -1.18 0.00 0.00 61.69 60.96 1bw5 s THR 3 Cb -0.14 -4.27 -0.06 0.00 1.34 0.00 0.00 72.50 69.36 1bw5 s THR 3 CO 0.22 -1.21 0.48 1.07 -0.54 0.00 0.00 174.62 174.65 1bw5 n THR 4 N 7.36 1.91 -3.72 3.99 5.66 -1.26 -4.96 114.28 123.26 1bw5 n THR 4 Ca 0.29 -0.44 -0.35 0.00 -3.05 0.00 0.00 64.05 60.50 1bw5 n THR 4 Cb 0.49 -0.68 -0.08 0.00 -1.55 0.00 0.00 70.33 68.51 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 -2.42 4.19 -1.19 1.09 0.52 -1.26 -5.02 118.95 114.85 1bw5 s ARG 5 Ca 0.66 -0.21 -0.10 0.00 -0.52 0.00 0.00 55.73 55.56 1bw5 s ARG 5 Cb -0.39 -3.42 0.21 0.00 0.52 0.00 0.00 34.95 31.88 1bw5 s ARG 5 CO 0.57 0.30 1.50 1.55 0.02 0.00 0.00 175.30 179.24 1bw5 n VAL 6 N 3.52 4.52 -1.54 3.52 3.14 -1.26 -4.79 118.33 125.44 1bw5 n VAL 6 Ca -0.16 -4.96 -0.28 0.00 -2.96 0.00 0.00 64.34 55.98 1bw5 n VAL 6 Cb 0.52 -2.40 0.08 0.00 -1.06 0.00 0.00 33.84 30.98 1bw5 n VAL 6 CO 0.00 0.00 0.00 -2.11 -6.46 0.00 0.00 176.83 168.26 1bw5 n ARG 7 N 3.88 2.84 -0.49 1.45 1.85 -1.26 -5.00 116.66 119.94 1bw5 n ARG 7 Ca 0.33 -3.52 -0.03 0.00 -1.00 0.00 0.00 57.85 53.64 1bw5 n ARG 7 Cb 0.39 -2.23 0.02 0.00 -1.05 0.00 0.00 32.46 29.58 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1bw5 n THR 8 N -0.90 0.00 -2.42 8.89 -2.24 -1.26 -5.06 114.28 111.30 1bw5 n THR 8 Ca 0.54 -0.13 -0.01 0.00 -2.27 0.00 0.00 64.05 62.19 1bw5 n THR 8 Cb 0.87 -1.65 0.01 0.00 -2.10 0.00 0.00 70.33 67.46 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 -1.87 0.20 -2.59 2.28 0.24 -1.26 -5.09 118.33 110.24 1bw5 n VAL 9 Ca 0.02 -0.99 -0.43 0.00 -2.04 0.00 0.00 64.34 60.90 1bw5 n VAL 9 Cb 0.06 0.89 -0.02 0.00 -1.47 0.00 0.00 33.84 33.29 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 -1.13 4.21 0.00 1.34 1.98 -1.26 -4.93 118.68 118.89 1bw5 s LEU 10 Ca 0.19 1.58 0.00 0.00 -2.89 0.00 0.00 54.13 53.01 1bw5 s LEU 10 Cb 0.26 -3.55 0.00 0.00 0.66 0.00 0.00 46.19 43.56 1bw5 s LEU 10 CO -0.09 -0.58 0.00 -0.46 -1.89 0.00 0.00 176.35 173.33 1bw5 n ASN 11 N 5.59 0.00 0.08 3.68 0.23 -1.26 -4.95 115.26 118.63 1bw5 n ASN 11 Ca 0.11 -0.35 0.21 0.00 -0.53 0.00 0.00 54.58 54.01 1bw5 n ASN 11 Cb 0.47 0.00 0.72 0.00 -2.08 0.00 0.00 39.78 38.89 1bw5 n ASN 11 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1bw5 h GLU 12 N 0.00 0.00 0.00 -3.83 4.11 -1.98 -1.19 114.58 111.69 1bw5 h GLU 12 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 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 0.07 0.00 0.00 179.01 180.71 1bw5 n LYS 13 N -3.61 0.00 0.06 1.06 5.02 -1.26 -3.35 118.16 116.08 1bw5 n LYS 13 Ca 0.08 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.39 1bw5 n LYS 13 Cb 0.69 -0.70 0.38 0.00 -0.02 0.00 0.00 35.03 35.39 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 0.38 -0.09 1.97 4.20 -1.92 -3.02 115.11 116.63 1bw5 h GLN 14 Ca 0.00 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.68 1bw5 h GLN 14 Cb 0.00 -0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.67 1bw5 h GLN 14 CO 0.00 0.41 -0.16 1.25 -0.67 0.00 0.00 178.83 179.65 1bw5 h LEU 15 N 0.37 -0.49 -0.82 1.46 7.12 -1.39 -2.39 115.31 119.18 1bw5 h LEU 15 Ca 0.09 0.08 0.09 0.00 0.13 0.00 0.00 57.88 58.27 1bw5 h LEU 15 Cb 0.24 0.23 -0.07 0.00 -0.53 0.00 0.00 40.66 40.53 1bw5 h LEU 15 CO 0.01 -0.21 0.47 0.45 -0.13 0.00 0.00 178.44 179.02 1bw5 h HIS 16 N -0.22 0.85 0.51 1.25 3.86 -1.53 -2.86 115.15 117.01 1bw5 h HIS 16 Ca 0.08 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1bw5 h HIS 16 Cb 0.34 -0.26 -0.00 0.00 1.06 0.00 0.00 27.41 28.54 1bw5 h HIS 16 CO -0.26 0.36 -0.31 1.15 0.86 0.00 0.00 177.93 179.73 1bw5 h THR 17 N 0.80 0.00 -1.04 2.45 2.02 -1.45 -2.81 112.91 112.88 1bw5 h THR 17 Ca 0.39 0.00 0.28 0.00 0.77 0.00 0.00 66.41 67.84 1bw5 h THR 17 Cb 0.33 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 66.62 1bw5 h THR 17 CO -0.23 0.00 0.64 -0.07 0.37 0.00 0.00 175.52 176.23 1bw5 h LEU 18 N -0.77 0.53 -1.88 2.58 3.38 -1.47 0.06 115.31 117.74 1bw5 h LEU 18 Ca -0.07 0.12 0.51 0.00 0.09 0.00 0.00 57.88 58.54 1bw5 h LEU 18 Cb 0.62 0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.33 1bw5 h LEU 18 CO 0.07 0.04 1.22 0.03 0.09 0.00 0.00 178.44 179.89 1bw5 h ARG 19 N 0.44 0.01 -0.15 1.13 2.47 -1.26 1.48 114.38 118.51 1bw5 h ARG 19 Ca 0.65 -0.00 -0.15 0.00 -1.26 0.00 0.00 59.98 59.22 1bw5 h ARG 19 Cb 1.49 -0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.80 1bw5 h ARG 19 CO -0.42 0.01 -0.54 0.00 0.56 0.00 0.00 179.97 179.58 1bw5 h THR 20 N 0.01 1.34 0.77 2.04 1.03 -1.09 -3.05 112.91 113.96 1bw5 h THR 20 Ca 0.86 -1.80 -0.04 0.00 -0.01 0.00 0.00 66.41 65.42 1bw5 h THR 20 Cb 3.31 1.81 0.00 0.00 -1.07 0.00 0.00 68.15 72.20 1bw5 h THR 20 CO -0.09 0.55 -0.39 0.00 -0.01 0.00 0.00 175.52 175.58 1bw5 h TYR 22 N -1.06 1.06 -0.04 0.00 5.03 -1.61 0.18 116.97 120.53 1bw5 h TYR 22 Ca -0.10 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.25 1bw5 h TYR 22 Cb 0.83 -0.33 -0.00 0.00 1.55 0.00 0.00 36.73 38.78 1bw5 h TYR 22 CO -0.04 0.30 0.28 0.00 -1.32 0.00 0.00 178.16 177.38 1bw5 h ALA 23 N 1.61 1.36 0.00 1.82 0.00 -1.37 -2.14 119.26 120.54 1bw5 h ALA 23 Ca 0.55 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 55.23 1bw5 h ALA 23 Cb 0.78 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 1bw5 h ALA 23 CO -0.33 -0.30 -1.26 0.00 0.00 0.00 0.00 179.25 177.36 1bw5 n ALA 24 N -1.98 0.78 -3.62 0.00 0.00 0.63 -4.99 120.51 111.32 1bw5 n ALA 24 Ca -0.01 -0.51 -0.10 0.00 0.00 0.00 0.00 53.44 52.82 1bw5 n ALA 24 Cb 0.34 -0.49 -0.07 0.00 0.00 0.00 0.00 19.45 19.23 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 -6.80 -0.82 0.00 0.00 3.84 -0.81 -5.01 114.94 105.34 1bw5 s ASN 25 Ca -0.28 1.42 0.00 0.00 0.21 0.00 0.00 52.86 54.21 1bw5 s ASN 25 Cb 0.06 1.35 0.00 0.00 -0.55 0.00 0.00 41.25 42.11 1bw5 s ASN 25 CO 0.56 -0.24 0.65 -0.81 -2.79 0.00 0.00 177.10 174.47 1bw5 n PRO 26 N 3.65 0.98 -2.89 0.43 -0.04 -1.25 -4.17 135.00 131.70 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 -1.33 0.01 0.00 -0.04 0.00 0.00 33.50 32.71 1bw5 n PRO 26 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 1bw5 n ARG 27 N -0.15 0.76 -1.81 0.54 0.63 -1.26 -5.12 116.66 110.25 1bw5 n ARG 27 Ca 0.00 -2.23 -0.29 0.00 -0.92 0.00 0.00 57.85 54.41 1bw5 n ARG 27 Cb 0.17 -1.38 0.15 0.00 0.45 0.00 0.00 32.46 31.85 1bw5 n ARG 27 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 1bw5 s PRO 28 N 0.06 1.03 0.00 -0.14 0.04 -1.26 -5.08 135.00 129.65 1bw5 s PRO 28 Ca 0.33 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.25 1bw5 s PRO 28 Cb 0.21 -1.86 0.00 0.00 0.04 0.00 0.00 34.50 32.89 1bw5 s PRO 28 CO -0.20 -2.19 0.00 -3.47 0.04 0.00 0.00 177.00 171.18 1bw5 n ASP 29 N -3.68 0.00 0.01 6.66 2.03 -1.26 -4.98 116.55 115.34 1bw5 n ASP 29 Ca 0.11 0.00 0.21 0.00 0.52 0.00 0.00 54.79 55.63 1bw5 n ASP 29 Cb 0.60 0.00 0.53 0.00 -0.72 0.00 0.00 41.12 41.53 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 2.40 -3.00 -1.67 0.00 -1.98 -2.03 119.26 114.97 1bw5 h ALA 30 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1bw5 h ALA 30 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1bw5 h ALA 30 CO 0.00 -1.15 0.00 -0.11 0.00 0.00 0.00 179.25 177.99 1bw5 n LEU 31 N -3.26 0.84 0.22 0.00 7.94 -1.26 -3.73 117.00 117.75 1bw5 n LEU 31 Ca 0.12 0.31 0.15 0.00 -1.11 0.00 0.00 56.01 55.49 1bw5 n LEU 31 Cb 1.04 0.00 0.76 0.00 0.53 0.00 0.00 43.42 45.75 1bw5 n LEU 31 CO 0.21 0.00 0.95 0.24 -1.11 0.00 0.00 177.39 177.67 1bw5 h MET 32 N 0.00 0.00 -0.93 1.96 2.86 -1.94 -2.80 114.93 114.08 1bw5 h MET 32 Ca 0.00 0.00 0.27 0.00 -2.06 0.00 0.00 59.70 57.91 1bw5 h MET 32 Cb 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 31.62 1bw5 h MET 32 CO 0.00 0.00 0.66 -0.22 1.06 0.00 0.00 176.91 178.41 1bw5 h LYS 33 N 0.00 0.03 0.00 1.72 3.64 -1.45 -1.07 116.57 119.44 1bw5 h LYS 33 Ca 0.00 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1bw5 h LYS 33 Cb 0.10 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1bw5 h LYS 33 CO 0.00 0.02 0.00 0.39 -2.27 0.00 0.00 179.45 177.59 1bw5 n GLU 34 N -4.28 0.00 0.10 1.90 1.02 -1.06 -3.08 120.64 115.25 1bw5 n GLU 34 Ca 0.19 0.40 0.09 0.00 -0.02 0.00 0.00 57.16 57.82 1bw5 n GLU 34 Cb 0.98 -1.29 0.57 0.00 -0.02 0.00 0.00 31.44 31.68 1bw5 n GLU 34 CO 0.00 0.00 0.00 -0.56 1.18 0.00 0.00 177.13 177.75 1bw5 h GLN 35 N 0.00 0.21 -0.72 3.49 3.07 -1.76 -2.37 115.11 117.03 1bw5 h GLN 35 Ca 0.00 -0.01 0.14 0.00 0.09 0.00 0.00 58.65 58.87 1bw5 h GLN 35 Cb 0.00 -0.05 -0.10 0.00 0.08 0.00 0.00 27.48 27.41 1bw5 h GLN 35 CO 0.00 0.14 0.23 -0.07 0.09 0.00 0.00 178.83 179.22 1bw5 h LEU 36 N 0.22 0.15 -0.46 0.06 -0.00 -1.24 0.73 115.31 114.76 1bw5 h LEU 36 Ca 0.12 0.12 0.05 0.00 -0.00 0.00 0.00 57.88 58.16 1bw5 h LEU 36 Cb 0.19 0.13 -0.05 0.00 -0.00 0.00 0.00 40.66 40.94 1bw5 h LEU 36 CO -0.02 0.04 0.20 0.58 -0.00 0.00 0.00 178.44 179.24 1bw5 h VAL 37 N 0.35 0.91 -0.82 1.22 2.07 -1.35 -2.08 116.25 116.56 1bw5 h VAL 37 Ca 0.40 -0.14 0.05 0.00 0.82 0.00 0.00 66.70 67.83 1bw5 h VAL 37 Cb 0.63 0.48 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 1bw5 h VAL 37 CO -0.44 0.07 0.54 -0.33 0.02 0.00 0.00 177.57 177.44 1bw5 h GLU 38 N 0.40 0.94 0.53 1.57 5.08 -0.97 1.29 114.58 123.42 1bw5 h GLU 38 Ca 0.21 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.50 1bw5 h GLU 38 Cb 0.16 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.18 1bw5 h GLU 38 CO -0.18 0.62 -0.49 0.52 -1.00 0.00 0.00 179.01 178.48 1bw5 h MET 39 N 0.96 -0.97 0.00 2.33 2.86 -0.58 -3.26 114.93 116.27 1bw5 h MET 39 Ca 0.34 0.07 0.00 0.00 -2.06 0.00 0.00 59.70 58.05 1bw5 h MET 39 Cb 0.13 0.22 0.00 0.00 0.06 0.00 0.00 31.60 32.01 1bw5 h MET 39 CO -0.11 -0.65 -1.36 -2.37 1.06 0.00 0.00 176.91 173.48 1bw5 n THR 40 N -5.56 0.02 -0.78 2.22 5.66 -1.19 -4.96 114.28 109.70 1bw5 n THR 40 Ca -0.12 -0.21 0.00 0.00 -3.05 0.00 0.00 64.05 60.66 1bw5 n THR 40 Cb 0.46 0.53 0.00 0.00 -1.55 0.00 0.00 70.33 69.76 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 1.40 1.12 3.81 1.09 0.00 0.44 -5.00 105.19 108.04 1bw5 n GLY 41 Ca 0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.74 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 2.16 1.18 0.99 1.02 -1.25 -4.97 118.68 117.81 1bw5 s LEU 42 Ca 0.00 0.97 -0.18 0.00 0.02 0.00 0.00 54.13 54.94 1bw5 s LEU 42 Cb 0.00 -3.36 0.27 0.00 0.02 0.00 0.00 46.19 43.13 1bw5 s LEU 42 CO 0.00 -2.38 1.10 -0.44 0.02 0.00 0.00 176.35 174.65 1bw5 s SER 43 N -4.10 1.11 0.26 2.29 0.01 -1.26 -4.77 113.70 107.23 1bw5 s SER 43 Ca 0.63 0.74 0.11 0.00 1.31 0.00 0.00 55.95 58.74 1bw5 s SER 43 Cb -0.14 -1.07 0.27 0.00 0.21 0.00 0.00 66.02 65.29 1bw5 s SER 43 CO 0.53 -4.02 1.55 1.55 0.41 0.00 0.00 173.24 173.26 1bw5 h PRO 44 N -2.51 0.00 0.44 12.44 0.13 -1.97 -3.31 132.00 137.22 1bw5 h PRO 44 Ca -0.47 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 1bw5 h PRO 44 Cb 1.30 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.41 1bw5 h PRO 44 CO 0.38 0.66 -0.49 0.00 -0.23 0.00 0.00 178.00 178.31 1bw5 h ARG 45 N 0.00 -0.92 -0.21 0.86 3.08 -2.01 -1.97 114.38 113.21 1bw5 h ARG 45 Ca -0.01 0.06 0.06 0.00 0.07 0.00 0.00 59.98 60.17 1bw5 h ARG 45 Cb 1.23 0.21 -0.01 0.00 0.08 0.00 0.00 29.97 31.48 1bw5 h ARG 45 CO 0.09 -0.61 0.15 0.28 -1.07 0.00 0.00 179.97 178.81 1bw5 h VAL 46 N -0.95 0.86 0.59 2.04 2.07 -1.95 -2.86 116.25 116.05 1bw5 h VAL 46 Ca -0.05 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1bw5 h VAL 46 Cb 0.84 0.89 0.01 0.00 -1.52 0.00 0.00 31.29 31.51 1bw5 h VAL 46 CO -0.09 0.00 -0.28 0.40 0.02 0.00 0.00 177.57 177.61 1bw5 h ILE 47 N 0.00 0.30 -0.07 4.57 1.08 -1.46 -3.08 117.51 118.85 1bw5 h ILE 47 Ca 0.10 -0.30 0.04 0.00 -0.39 0.00 0.00 64.86 64.31 1bw5 h ILE 47 Cb 0.41 0.39 -0.06 0.00 -3.07 0.00 0.00 36.82 34.49 1bw5 h ILE 47 CO -0.00 0.03 -0.37 -0.09 -0.69 0.00 0.00 178.15 177.03 1bw5 h ARG 48 N -1.02 -0.46 -0.57 2.37 2.43 -1.22 -2.43 114.38 113.48 1bw5 h ARG 48 Ca -0.08 0.03 0.15 0.00 -0.81 0.00 0.00 59.98 59.27 1bw5 h ARG 48 Cb 0.66 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.29 1bw5 h ARG 48 CO 0.13 -0.31 0.41 -0.24 -1.51 0.00 0.00 179.97 178.45 1bw5 h VAL 49 N -0.48 0.74 0.39 0.20 3.04 -1.61 -3.02 116.25 115.51 1bw5 h VAL 49 Ca 0.07 -0.02 -0.01 0.00 -1.01 0.00 0.00 66.70 65.73 1bw5 h VAL 49 Cb 0.60 0.67 -0.03 0.00 -2.01 0.00 0.00 31.29 30.52 1bw5 h VAL 49 CO -0.34 0.01 -0.49 -0.25 -1.01 0.00 0.00 177.57 175.50 1bw5 h TRP 50 N 0.07 -1.36 -0.76 3.17 7.01 -1.34 -2.27 115.95 120.46 1bw5 h TRP 50 Ca 0.27 0.02 0.16 0.00 2.11 0.00 0.00 58.89 61.45 1bw5 h TRP 50 Cb 1.00 0.54 -0.11 0.00 -2.10 0.00 0.00 29.16 28.49 1bw5 h TRP 50 CO -0.00 -0.62 0.25 0.74 -2.79 0.00 0.00 178.44 176.02 1bw5 h PHE 51 N -0.90 0.41 0.13 2.65 0.04 -1.66 0.63 116.94 118.24 1bw5 h PHE 51 Ca -0.05 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1bw5 h PHE 51 Cb 0.80 -0.06 -0.02 0.00 2.20 0.00 0.00 35.95 38.87 1bw5 h PHE 51 CO -0.30 -0.03 -0.26 0.37 -0.60 0.00 0.00 178.31 177.49 1bw5 h GLN 52 N 0.35 -0.41 -0.03 1.51 4.15 -1.53 -1.92 115.11 117.23 1bw5 h GLN 52 Ca 0.43 0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.88 1bw5 h GLN 52 Cb 0.73 0.09 -0.00 0.00 0.21 0.00 0.00 27.48 28.51 1bw5 h GLN 52 CO -0.48 -0.27 0.02 -0.91 -1.93 0.00 0.00 178.83 175.26 1bw5 h ASN 53 N -0.43 0.03 -0.46 -0.69 2.35 -0.85 -3.05 115.58 112.49 1bw5 h ASN 53 Ca -0.01 -0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.83 1bw5 h ASN 53 Cb 0.40 -0.01 -0.10 0.00 0.05 0.00 0.00 38.32 38.67 1bw5 h ASN 53 CO -0.11 0.03 -0.20 0.50 -1.65 0.00 0.00 177.43 176.00 1bw5 h LYS 54 N 0.04 -0.10 -0.81 0.81 3.64 0.11 0.35 116.57 120.61 1bw5 h LYS 54 Ca 0.01 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.53 1bw5 h LYS 54 Cb -0.00 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 31.75 1bw5 h LYS 54 CO -0.00 -0.07 0.40 -0.09 -2.27 0.00 0.00 179.45 177.42 1bw5 h ARG 55 N -0.10 0.58 0.25 1.90 2.43 -1.43 -1.70 114.38 116.31 1bw5 h ARG 55 Ca 0.22 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1bw5 h ARG 55 Cb 0.44 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1bw5 h ARG 55 CO -0.53 0.38 -0.34 0.00 -1.51 0.00 0.00 179.97 177.97 1bw5 h LYS 57 N -0.65 1.07 -6.71 0.00 3.64 -0.93 -3.41 116.57 109.58 1bw5 h LYS 57 Ca -0.00 -0.06 -0.52 0.00 -1.27 0.00 0.00 60.65 58.79 1bw5 h LYS 57 Cb 0.62 -0.24 0.07 0.00 -0.41 0.00 0.00 32.23 32.27 1bw5 h LYS 57 CO -0.12 0.71 0.95 -0.51 -2.27 0.00 0.00 179.45 178.21 1bw5 s ASP 58 N -5.91 6.39 -0.30 4.20 1.11 -0.69 -4.96 116.67 116.53 1bw5 s ASP 58 Ca -0.13 2.88 -0.16 0.00 0.18 0.00 0.00 52.55 55.32 1bw5 s ASP 58 Cb 0.17 -2.61 0.18 0.00 1.07 0.00 0.00 42.92 41.73 1bw5 s ASP 58 CO 0.80 -0.94 1.15 -0.75 1.18 0.00 0.00 175.17 176.61 1bw5 s LYS 59 N 0.48 0.13 7.05 8.23 2.20 -1.26 -4.93 119.74 131.64 1bw5 s LYS 59 Ca 0.70 0.29 0.00 0.00 -0.36 0.00 0.00 55.97 56.60 1bw5 s LYS 59 Cb -0.48 0.17 0.00 0.00 -1.51 0.00 0.00 37.83 36.01 1bw5 s LYS 59 CO 0.38 -0.09 0.00 1.17 -0.36 0.00 0.00 175.35 176.46 1bw5 n LYS 60 N 5.06 0.00 -3.15 4.03 4.81 -1.26 -4.92 118.16 122.73 1bw5 n LYS 60 Ca -0.08 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.32 1bw5 n LYS 60 Cb 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 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 14.00 -1.42 -2.39 1.64 5.12 -1.26 -4.85 116.66 127.50 1bw5 n ARG 61 Ca 0.00 1.44 -0.41 0.00 -1.93 0.00 0.00 57.85 56.95 1bw5 n ARG 61 Cb 0.00 -5.26 -0.03 0.00 -1.16 0.00 0.00 32.46 26.02 1bw5 n ARG 61 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1bw5 s SER 62 N -2.96 5.94 -0.99 0.55 0.01 -1.26 -4.91 113.70 110.07 1bw5 s SER 62 Ca 0.02 -0.08 -0.26 0.00 1.31 0.00 0.00 55.95 56.94 1bw5 s SER 62 Cb -0.00 -2.55 -0.18 0.00 0.21 0.00 0.00 66.02 63.49 1bw5 s SER 62 CO 0.77 -1.94 2.19 -0.63 0.41 0.00 0.00 173.24 174.04 1bw5 s ILE 63 N 6.63 3.08 -1.76 1.44 1.01 -1.26 -4.64 121.20 125.70 1bw5 s ILE 63 Ca 0.47 -0.11 0.20 0.00 0.00 0.00 0.00 60.65 61.21 1bw5 s ILE 63 Cb -0.10 -3.74 0.57 0.00 0.01 0.00 0.00 42.46 39.21 1bw5 s ILE 63 CO 0.19 -0.15 1.48 0.23 0.00 0.00 0.00 174.94 176.69 1bw5 n MET 64 N 8.41 2.76 -2.90 2.79 2.81 -1.26 -4.95 117.12 124.78 1bw5 n MET 64 Ca 0.43 -2.54 -0.41 0.00 -1.81 0.00 0.00 57.70 53.38 1bw5 n MET 64 Cb 0.46 -1.51 -0.04 0.00 -0.71 0.00 0.00 33.22 31.42 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 -1.01 4.50 0.00 0.03 -1.94 -1.26 -5.35 119.30 114.27 1bw5 s MET 65 Ca 0.44 1.13 0.00 0.00 -1.71 0.00 0.00 55.69 55.54 1bw5 s MET 65 Cb 0.23 -3.45 0.00 0.00 2.01 0.00 0.00 34.83 33.62 1bw5 s MET 65 CO 0.30 0.03 0.00 1.17 -0.01 0.00 0.00 175.02 176.51