#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 0.00 -1.65 3.17 4.81 -1.26 -4.75 118.16 118.48 1bw5 n LYS 2 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 58.31 57.12 1bw5 n LYS 2 Cb 0.00 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.10 1bw5 n LYS 2 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1bw5 s THR 3 N 0.00 3.46 0.28 3.15 -4.23 -1.26 -4.98 115.64 112.07 1bw5 s THR 3 Ca 0.00 0.60 -0.29 0.00 -1.18 0.00 0.00 61.69 60.82 1bw5 s THR 3 Cb 0.00 -3.14 -0.10 0.00 1.34 0.00 0.00 72.50 70.61 1bw5 s THR 3 CO 0.00 -0.50 1.17 -0.89 -0.54 0.00 0.00 174.62 173.86 1bw5 s THR 4 N -2.60 3.28 0.01 3.99 2.01 -1.26 -5.04 115.64 116.04 1bw5 s THR 4 Ca 0.64 1.26 -0.00 0.00 0.31 0.00 0.00 61.69 63.90 1bw5 s THR 4 Cb -0.18 -3.80 0.00 0.00 0.01 0.00 0.00 72.50 68.53 1bw5 s THR 4 CO 0.46 0.29 0.02 0.54 -0.69 0.00 0.00 174.62 175.24 1bw5 n ARG 5 N 1.26 0.61 -3.41 4.92 5.12 -1.26 -4.99 116.66 118.92 1bw5 n ARG 5 Ca -0.00 -0.05 -0.43 0.00 -1.93 0.00 0.00 57.85 55.44 1bw5 n ARG 5 Cb 0.44 -0.01 -0.09 0.00 -1.16 0.00 0.00 32.46 31.63 1bw5 n ARG 5 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1bw5 s VAL 6 N 0.19 5.19 -0.49 1.55 1.01 -1.26 -4.94 120.40 121.65 1bw5 s VAL 6 Ca 0.01 -0.50 0.06 0.00 0.00 0.00 0.00 61.98 61.56 1bw5 s VAL 6 Cb -0.00 -3.96 0.21 0.00 0.00 0.00 0.00 36.38 32.63 1bw5 s VAL 6 CO 0.01 -0.34 0.74 -1.14 0.00 0.00 0.00 175.10 174.37 1bw5 n ARG 7 N 5.34 0.59 -3.43 2.72 0.63 -1.26 -5.12 116.66 116.12 1bw5 n ARG 7 Ca -0.10 -2.10 -0.39 0.00 -0.92 0.00 0.00 57.85 54.35 1bw5 n ARG 7 Cb 0.47 -1.47 -0.09 0.00 0.45 0.00 0.00 32.46 31.82 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 0.64 5.21 -0.24 5.15 -4.23 -1.26 -4.94 115.64 115.97 1bw5 s THR 8 Ca 0.31 0.51 0.12 0.00 -1.18 0.00 0.00 61.69 61.45 1bw5 s THR 8 Cb 0.08 -3.67 0.46 0.00 1.34 0.00 0.00 72.50 70.72 1bw5 s THR 8 CO -0.13 0.19 1.18 1.33 -0.54 0.00 0.00 174.62 176.66 1bw5 n VAL 9 N 4.95 2.04 -2.54 2.29 0.24 -1.26 -5.04 118.33 119.01 1bw5 n VAL 9 Ca -0.10 -3.52 -0.43 0.00 -2.04 0.00 0.00 64.34 58.26 1bw5 n VAL 9 Cb 0.51 -0.34 -0.02 0.00 -1.47 0.00 0.00 33.84 32.52 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 -3.27 4.01 0.48 1.34 1.98 -1.26 -5.03 118.68 116.92 1bw5 s LEU 10 Ca 0.42 1.29 -0.01 0.00 -2.89 0.00 0.00 54.13 52.94 1bw5 s LEU 10 Cb 0.38 -3.54 -0.00 0.00 0.66 0.00 0.00 46.19 43.69 1bw5 s LEU 10 CO -0.02 -0.86 0.72 0.54 -1.89 0.00 0.00 176.35 174.84 1bw5 s ASN 11 N 1.92 5.83 0.57 3.68 4.22 -1.26 -4.84 114.94 125.06 1bw5 s ASN 11 Ca 0.50 0.43 0.30 0.00 -2.14 0.00 0.00 52.86 51.94 1bw5 s ASN 11 Cb -0.16 -1.64 1.45 0.00 1.28 0.00 0.00 41.25 42.18 1bw5 s ASN 11 CO 0.15 -0.75 1.86 -0.08 -2.04 0.00 0.00 177.10 176.24 1bw5 h GLU 12 N 0.28 0.00 0.43 3.55 4.22 -1.98 -0.43 114.58 120.65 1bw5 h GLU 12 Ca -0.46 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 58.96 1bw5 h GLU 12 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 1bw5 h GLU 12 CO 0.58 0.00 -0.21 -0.22 -2.18 0.00 0.00 179.01 176.99 1bw5 h LYS 13 N 0.00 -0.56 -0.76 1.92 1.63 -2.00 -1.90 116.57 114.91 1bw5 h LYS 13 Ca 0.30 0.04 -0.04 0.00 -0.85 0.00 0.00 60.65 60.10 1bw5 h LYS 13 Cb 1.44 0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 33.16 1bw5 h LYS 13 CO -0.00 -0.37 0.32 1.96 -3.45 0.00 0.00 179.45 177.91 1bw5 h GLN 14 N -0.71 1.11 -0.36 1.90 4.20 -1.85 -2.84 115.11 116.56 1bw5 h GLN 14 Ca -0.06 -0.18 0.06 0.00 0.06 0.00 0.00 58.65 58.53 1bw5 h GLN 14 Cb 0.44 -0.19 -0.06 0.00 0.30 0.00 0.00 27.48 27.98 1bw5 h GLN 14 CO 0.10 0.89 0.01 1.25 -0.67 0.00 0.00 178.83 180.40 1bw5 h LEU 15 N 1.09 -0.13 -0.64 1.46 7.12 -1.13 -2.00 115.31 121.09 1bw5 h LEU 15 Ca 0.26 0.08 0.13 0.00 0.13 0.00 0.00 57.88 58.48 1bw5 h LEU 15 Cb 0.18 0.14 -0.10 0.00 -0.53 0.00 0.00 40.66 40.34 1bw5 h LEU 15 CO -0.03 -0.03 0.08 -0.74 -0.13 0.00 0.00 178.44 177.59 1bw5 h HIS 16 N 0.11 0.10 0.07 1.25 2.76 -1.09 -1.89 115.15 116.46 1bw5 h HIS 16 Ca 0.17 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 1bw5 h HIS 16 Cb 0.24 0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.24 1bw5 h HIS 16 CO -0.24 -0.11 -0.16 1.15 -1.30 0.00 0.00 177.93 177.27 1bw5 h THR 17 N 0.19 0.00 -0.92 6.26 2.02 -1.35 -2.35 112.91 116.75 1bw5 h THR 17 Ca 0.34 0.00 0.20 0.00 0.77 0.00 0.00 66.41 67.73 1bw5 h THR 17 Cb 0.55 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.85 1bw5 h THR 17 CO -0.49 0.00 0.48 -0.07 0.37 0.00 0.00 175.52 175.81 1bw5 h LEU 18 N -0.25 0.52 -1.24 2.58 3.38 -1.46 0.59 115.31 119.43 1bw5 h LEU 18 Ca -0.01 0.13 0.39 0.00 0.09 0.00 0.00 57.88 58.48 1bw5 h LEU 18 Cb 0.24 0.06 -0.14 0.00 0.09 0.00 0.00 40.66 40.91 1bw5 h LEU 18 CO -0.06 0.11 0.72 -0.09 0.09 0.00 0.00 178.44 179.21 1bw5 h ARG 19 N 0.54 0.16 -0.47 1.13 9.65 -0.79 1.25 114.38 125.85 1bw5 h ARG 19 Ca 0.56 -0.01 -0.10 0.00 -1.10 0.00 0.00 59.98 59.33 1bw5 h ARG 19 Cb 0.98 -0.04 -0.02 0.00 -1.39 0.00 0.00 29.97 29.51 1bw5 h ARG 19 CO -0.46 0.11 -0.08 1.15 2.80 0.00 0.00 179.97 183.49 1bw5 h THR 20 N 0.17 1.27 0.92 0.20 2.02 -0.78 -2.45 112.91 114.26 1bw5 h THR 20 Ca 0.78 -1.19 -0.04 0.00 0.77 0.00 0.00 66.41 66.72 1bw5 h THR 20 Cb 2.19 1.07 0.01 0.00 -1.74 0.00 0.00 68.15 69.68 1bw5 h THR 20 CO -0.50 0.41 -0.44 0.00 0.37 0.00 0.00 175.52 175.36 1bw5 h TYR 22 N -1.31 1.02 -0.23 0.00 5.03 -1.41 0.37 116.97 120.44 1bw5 h TYR 22 Ca -0.13 0.03 0.07 0.00 2.58 0.00 0.00 58.73 61.29 1bw5 h TYR 22 Cb 0.94 -0.30 -0.01 0.00 1.55 0.00 0.00 36.73 38.91 1bw5 h TYR 22 CO 0.00 0.21 0.26 0.00 -1.32 0.00 0.00 178.16 177.31 1bw5 h ALA 23 N 1.64 1.86 0.05 1.82 0.00 -1.30 -2.04 119.26 121.30 1bw5 h ALA 23 Ca 0.57 -0.01 -0.35 0.00 0.00 0.00 0.00 54.91 55.12 1bw5 h ALA 23 Cb 0.90 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.66 1bw5 h ALA 23 CO -0.39 -0.38 -2.07 0.00 0.00 0.00 0.00 179.25 176.41 1bw5 n ALA 24 N -2.32 1.22 -3.59 0.00 0.00 0.12 -5.00 120.51 110.94 1bw5 n ALA 24 Ca 0.03 -0.83 -0.15 0.00 0.00 0.00 0.00 53.44 52.49 1bw5 n ALA 24 Cb 0.39 -0.55 -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 -6.51 -0.71 0.00 0.00 2.47 -0.74 -5.02 114.94 104.44 1bw5 s ASN 25 Ca -0.19 1.18 0.20 0.00 0.42 0.00 0.00 52.86 54.48 1bw5 s ASN 25 Cb 0.07 1.14 0.87 0.00 -1.45 0.00 0.00 41.25 41.88 1bw5 s ASN 25 CO 0.76 -0.37 1.65 -0.81 -3.72 0.00 0.00 177.10 174.61 1bw5 n PRO 26 N 2.07 0.00 -3.69 0.43 -0.04 -1.26 -4.14 135.00 128.37 1bw5 n PRO 26 Ca -0.16 0.15 -0.12 0.00 -0.04 0.00 0.00 63.50 63.34 1bw5 n PRO 26 Cb 0.56 -1.51 -0.12 0.00 -0.04 0.00 0.00 33.50 32.39 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 -3.00 0.25 0.43 0.54 3.52 -1.26 -5.05 118.95 114.37 1bw5 s ARG 27 Ca 0.10 0.76 -0.07 0.00 -0.13 0.00 0.00 55.73 56.39 1bw5 s ARG 27 Cb 0.13 0.02 0.10 0.00 -1.56 0.00 0.00 34.95 33.64 1bw5 s ARG 27 CO 0.37 -0.22 0.58 -0.35 -0.81 0.00 0.00 175.30 174.88 1bw5 n PRO 28 N 4.84 -0.54 -0.81 5.12 -0.04 -1.26 -5.11 135.00 137.19 1bw5 n PRO 28 Ca -0.15 -0.92 0.00 0.00 -0.04 0.00 0.00 63.50 62.39 1bw5 n PRO 28 Cb 0.52 -0.59 0.00 0.00 -0.04 0.00 0.00 33.50 33.38 1bw5 n PRO 28 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1bw5 n ASP 29 N -3.36 0.00 -0.00 3.54 8.00 -1.26 -5.01 116.55 118.46 1bw5 n ASP 29 Ca 0.07 -0.75 0.22 0.00 0.71 0.00 0.00 54.79 55.04 1bw5 n ASP 29 Cb 0.26 0.00 0.72 0.00 -0.02 0.00 0.00 41.12 42.07 1bw5 n ASP 29 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1bw5 h ALA 30 N 1.92 2.43 -3.00 2.24 0.00 -1.99 -0.80 119.26 120.06 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 -0.73 0.00 1.28 0.00 0.00 0.00 179.25 179.80 1bw5 n LEU 31 N -4.15 1.09 -0.13 0.00 4.32 -1.26 -3.83 117.00 113.04 1bw5 n LEU 31 Ca 0.10 0.27 0.19 0.00 -0.02 0.00 0.00 56.01 56.56 1bw5 n LEU 31 Cb 0.67 0.00 0.59 0.00 -1.62 0.00 0.00 43.42 43.06 1bw5 n LEU 31 CO 0.34 0.00 1.21 -0.03 -1.22 0.00 0.00 177.39 177.69 1bw5 h MET 32 N 0.00 0.23 -0.92 3.23 4.05 -1.96 -2.51 114.93 117.05 1bw5 h MET 32 Ca 0.00 -0.01 0.26 0.00 -0.28 0.00 0.00 59.70 59.66 1bw5 h MET 32 Cb 0.00 -0.05 -0.16 0.00 -0.80 0.00 0.00 31.60 30.59 1bw5 h MET 32 CO 0.00 0.15 0.16 0.87 0.23 0.00 0.00 176.91 178.33 1bw5 h LYS 33 N 0.24 0.11 0.39 0.39 1.79 -1.25 0.21 116.57 118.45 1bw5 h LYS 33 Ca 0.36 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.80 1bw5 h LYS 33 Cb 1.05 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.68 1bw5 h LYS 33 CO -0.08 0.07 -0.19 0.93 -1.08 0.00 0.00 179.45 179.10 1bw5 h GLU 34 N 0.11 -0.51 -0.56 3.15 5.08 -1.55 -3.21 114.58 117.09 1bw5 h GLU 34 Ca 0.58 0.03 0.03 0.00 -1.00 0.00 0.00 59.36 59.01 1bw5 h GLU 34 Cb 1.21 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.55 1bw5 h GLU 34 CO -0.76 -0.34 0.37 1.96 -1.00 0.00 0.00 179.01 179.24 1bw5 h GLN 35 N -0.57 0.63 -0.92 2.33 7.50 -1.60 -2.88 115.11 119.59 1bw5 h GLN 35 Ca -0.05 -0.04 0.27 0.00 0.50 0.00 0.00 58.65 59.32 1bw5 h GLN 35 Cb 0.40 -0.14 -0.15 0.00 0.05 0.00 0.00 27.48 27.65 1bw5 h GLN 35 CO 0.09 0.41 0.33 -0.07 -1.50 0.00 0.00 178.83 178.09 1bw5 h LEU 36 N 0.65 0.13 0.22 1.46 -0.00 -0.59 -1.08 115.31 116.09 1bw5 h LEU 36 Ca 0.23 0.20 -0.00 0.00 -0.00 0.00 0.00 57.88 58.30 1bw5 h LEU 36 Cb 0.10 0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 40.98 1bw5 h LEU 36 CO -0.06 -0.17 -0.28 0.58 -0.00 0.00 0.00 178.44 178.52 1bw5 h VAL 37 N 0.23 0.00 -0.10 1.22 2.07 -1.59 -2.20 116.25 115.87 1bw5 h VAL 37 Ca 0.61 0.00 0.03 0.00 0.82 0.00 0.00 66.70 68.16 1bw5 h VAL 37 Cb 1.30 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.07 1bw5 h VAL 37 CO -0.66 0.00 0.09 -0.08 0.02 0.00 0.00 177.57 176.94 1bw5 h GLU 38 N -0.51 0.00 -0.41 1.57 4.81 -1.56 0.61 114.58 119.09 1bw5 h GLU 38 Ca -0.03 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1bw5 h GLU 38 Cb 0.46 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 1bw5 h GLU 38 CO -0.07 0.00 0.07 1.98 -0.73 0.00 0.00 179.01 180.26 1bw5 h MET 39 N 0.00 0.67 0.00 1.92 4.05 -0.62 -3.26 114.93 117.70 1bw5 h MET 39 Ca 0.05 -0.18 -0.18 0.00 -0.28 0.00 0.00 59.70 59.11 1bw5 h MET 39 Cb 0.23 -0.08 -0.03 0.00 -0.80 0.00 0.00 31.60 30.92 1bw5 h MET 39 CO -0.00 0.72 -1.71 -2.37 0.23 0.00 0.00 176.91 173.78 1bw5 n THR 40 N -4.51 1.00 -1.81 -0.77 5.66 -0.97 -4.99 114.28 107.89 1bw5 n THR 40 Ca -0.00 -0.69 0.00 0.00 -3.05 0.00 0.00 64.05 60.31 1bw5 n THR 40 Cb 0.24 -0.54 0.00 0.00 -1.55 0.00 0.00 70.33 68.48 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 1.44 0.78 3.67 1.09 0.00 0.17 -5.04 105.19 107.30 1bw5 n GLY 41 Ca -0.13 -0.66 -0.09 0.00 0.00 0.00 0.00 46.02 45.14 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 -0.33 0.17 0.93 0.99 0.05 -1.23 -5.06 118.68 114.19 1bw5 s LEU 42 Ca 0.00 -0.86 -0.11 0.00 0.05 0.00 0.00 54.13 53.21 1bw5 s LEU 42 Cb 0.00 2.06 0.15 0.00 -2.05 0.00 0.00 46.19 46.35 1bw5 s LEU 42 CO 0.00 -1.22 1.12 -0.44 -0.55 0.00 0.00 176.35 175.26 1bw5 s SER 43 N -3.00 2.90 0.25 1.48 0.01 -1.26 -4.75 113.70 109.32 1bw5 s SER 43 Ca 0.19 2.02 0.23 0.00 1.31 0.00 0.00 55.95 59.71 1bw5 s SER 43 Cb -0.02 -2.51 0.96 0.00 0.21 0.00 0.00 66.02 64.66 1bw5 s SER 43 CO 0.09 -3.09 1.71 -0.81 0.41 0.00 0.00 173.24 171.55 1bw5 n PRO 44 N -4.22 0.19 -0.09 12.44 -0.04 -1.26 -3.56 135.00 138.46 1bw5 n PRO 44 Ca 0.10 0.41 -0.11 0.00 -0.04 0.00 0.00 63.50 63.86 1bw5 n PRO 44 Cb 0.53 -1.86 -0.06 0.00 -0.04 0.00 0.00 33.50 32.07 1bw5 n PRO 44 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1bw5 h ARG 45 N 0.00 -0.37 -0.37 0.54 9.65 -2.02 -1.69 114.38 120.12 1bw5 h ARG 45 Ca 0.00 0.03 -0.09 0.00 -1.10 0.00 0.00 59.98 58.81 1bw5 h ARG 45 Cb 0.38 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.03 1bw5 h ARG 45 CO 0.00 -0.25 -0.15 0.28 2.80 0.00 0.00 179.97 182.65 1bw5 h VAL 46 N -0.39 1.26 -0.19 0.20 2.07 -1.95 -3.22 116.25 114.03 1bw5 h VAL 46 Ca 0.11 -1.18 0.04 0.00 0.82 0.00 0.00 66.70 66.50 1bw5 h VAL 46 Cb 0.60 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1bw5 h VAL 46 CO -0.53 0.39 -0.07 0.40 0.02 0.00 0.00 177.57 177.78 1bw5 h ILE 47 N 0.60 0.76 -0.00 4.57 1.08 -1.47 -2.45 117.51 120.59 1bw5 h ILE 47 Ca 0.10 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.57 1bw5 h ILE 47 Cb 0.60 0.76 -0.00 0.00 -3.07 0.00 0.00 36.82 35.11 1bw5 h ILE 47 CO 0.04 0.00 -0.01 0.03 -0.69 0.00 0.00 178.15 177.52 1bw5 h ARG 48 N -0.04 -0.01 -0.57 2.37 3.08 -1.44 -2.69 114.38 115.08 1bw5 h ARG 48 Ca 0.10 0.00 0.11 0.00 0.07 0.00 0.00 59.98 60.26 1bw5 h ARG 48 Cb 0.18 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.20 1bw5 h ARG 48 CO -0.21 -0.01 0.39 -0.24 -1.07 0.00 0.00 179.97 178.82 1bw5 h VAL 49 N -0.01 0.86 0.34 2.04 3.04 -1.68 -3.11 116.25 117.73 1bw5 h VAL 49 Ca 0.00 -0.11 -0.01 0.00 -1.01 0.00 0.00 66.70 65.58 1bw5 h VAL 49 Cb 0.01 0.52 -0.02 0.00 -2.01 0.00 0.00 31.29 29.79 1bw5 h VAL 49 CO -0.01 0.06 -0.42 -0.25 -1.01 0.00 0.00 177.57 175.94 1bw5 h TRP 50 N 0.31 -1.18 -0.40 3.17 7.01 -1.09 0.12 115.95 123.89 1bw5 h TRP 50 Ca 0.27 0.01 0.08 0.00 2.11 0.00 0.00 58.89 61.36 1bw5 h TRP 50 Cb 0.63 0.47 -0.07 0.00 -2.10 0.00 0.00 29.16 28.08 1bw5 h TRP 50 CO -0.00 -0.54 -0.08 0.74 -2.79 0.00 0.00 178.44 175.78 1bw5 h PHE 51 N -0.78 -0.17 0.14 2.65 0.04 -1.49 0.14 116.94 117.47 1bw5 h PHE 51 Ca -0.04 0.03 -0.00 0.00 2.80 0.00 0.00 57.97 60.76 1bw5 h PHE 51 Cb 0.69 0.14 -0.01 0.00 2.20 0.00 0.00 35.95 38.97 1bw5 h PHE 51 CO -0.27 -0.15 -0.21 0.37 -0.60 0.00 0.00 178.31 177.44 1bw5 h GLN 52 N 0.02 -0.36 -0.73 1.51 5.75 -1.50 -2.82 115.11 116.99 1bw5 h GLN 52 Ca 0.19 0.02 0.11 0.00 -0.15 0.00 0.00 58.65 58.83 1bw5 h GLN 52 Cb 0.29 0.08 -0.08 0.00 1.07 0.00 0.00 27.48 28.84 1bw5 h GLN 52 CO -0.39 -0.24 0.34 -0.97 -2.65 0.00 0.00 178.83 174.92 1bw5 h ASN 53 N -0.37 0.40 -0.22 -0.69 -0.73 -0.80 -2.89 115.58 110.28 1bw5 h ASN 53 Ca -0.02 0.08 0.05 0.00 1.87 0.00 0.00 56.30 58.29 1bw5 h ASN 53 Cb 0.34 0.02 -0.07 0.00 0.27 0.00 0.00 38.32 38.88 1bw5 h ASN 53 CO -0.07 0.20 -0.41 0.50 -0.37 0.00 0.00 177.43 177.29 1bw5 h LYS 54 N 0.54 -0.41 -0.44 6.67 1.63 -0.77 -1.39 116.57 122.40 1bw5 h LYS 54 Ca 0.38 0.03 0.09 0.00 -0.85 0.00 0.00 60.65 60.30 1bw5 h LYS 54 Cb 0.48 0.09 -0.09 0.00 -0.60 0.00 0.00 32.23 32.11 1bw5 h LYS 54 CO -0.32 -0.27 -0.22 -0.09 -3.45 0.00 0.00 179.45 175.10 1bw5 h ARG 55 N -0.43 -0.12 0.12 1.90 2.43 -1.28 0.50 114.38 117.50 1bw5 h ARG 55 Ca 0.10 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1bw5 h ARG 55 Cb 0.60 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 1bw5 h ARG 55 CO -0.45 -0.08 -0.18 0.00 -1.51 0.00 0.00 179.97 177.75 1bw5 h LYS 57 N -0.36 0.08 -6.13 0.00 6.56 -0.41 -3.40 116.57 112.92 1bw5 h LYS 57 Ca 0.02 -0.00 -0.55 0.00 -1.06 0.00 0.00 60.65 59.05 1bw5 h LYS 57 Cb 0.37 -0.02 -0.02 0.00 -0.57 0.00 0.00 32.23 31.99 1bw5 h LYS 57 CO -0.09 0.05 1.34 -0.51 -2.06 0.00 0.00 179.45 178.19 1bw5 s ASP 58 N -7.01 5.59 -0.29 0.86 1.01 0.17 -4.91 116.67 112.09 1bw5 s ASP 58 Ca -0.05 1.15 -0.29 0.00 0.71 0.00 0.00 52.55 54.07 1bw5 s ASP 58 Cb 0.17 -2.52 -0.02 0.00 1.01 0.00 0.00 42.92 41.55 1bw5 s ASP 58 CO 0.68 -1.97 1.80 -0.75 0.21 0.00 0.00 175.17 175.14 1bw5 s LYS 59 N 6.23 3.44 0.09 8.23 2.20 -1.26 -4.59 119.74 134.08 1bw5 s LYS 59 Ca 0.81 1.56 0.00 0.00 -0.36 0.00 0.00 55.97 57.98 1bw5 s LYS 59 Cb -0.21 -4.18 0.00 0.00 -1.51 0.00 0.00 37.83 31.93 1bw5 s LYS 59 CO 0.30 -1.73 0.00 1.63 -0.36 0.00 0.00 175.35 175.19 1bw5 n LYS 60 N 8.28 0.00 0.00 4.03 5.02 -1.26 -4.86 118.16 129.37 1bw5 n LYS 60 Ca 0.23 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1bw5 n LYS 60 Cb 0.46 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.47 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 0.00 0.00 -1.57 1.97 0.63 -1.26 -4.58 116.66 111.85 1bw5 n ARG 61 Ca 0.00 0.00 -0.49 0.00 -0.92 0.00 0.00 57.85 56.44 1bw5 n ARG 61 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 1bw5 n ARG 61 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 1bw5 n SER 62 N -2.27 2.82 -4.77 6.15 2.88 -1.26 -4.90 113.62 112.27 1bw5 n SER 62 Ca 0.00 0.58 -0.39 0.00 -1.33 0.00 0.00 58.87 57.73 1bw5 n SER 62 Cb 0.00 -1.36 -0.01 0.00 -0.75 0.00 0.00 64.21 62.10 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 6.31 2.71 -0.84 2.46 -1.09 -1.26 -4.81 121.20 124.69 1bw5 s ILE 63 Ca 1.02 0.64 -0.21 0.00 -2.23 0.00 0.00 60.65 59.87 1bw5 s ILE 63 Cb -0.70 -3.38 -0.19 0.00 -1.58 0.00 0.00 42.46 36.61 1bw5 s ILE 63 CO 0.48 0.09 2.25 0.80 -1.23 0.00 0.00 174.94 177.34 1bw5 n MET 64 N 0.19 0.35 -0.95 2.79 0.00 -1.26 -4.89 117.12 113.34 1bw5 n MET 64 Ca 0.03 -0.72 -0.29 0.00 -0.00 0.00 0.00 57.70 56.73 1bw5 n MET 64 Cb 0.44 -2.98 0.21 0.00 0.00 0.00 0.00 33.22 30.89 1bw5 n MET 64 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 1bw5 s MET 65 N 8.26 -0.36 0.00 2.12 -1.94 -1.26 -5.32 119.30 120.81 1bw5 s MET 65 Ca 0.96 0.50 0.23 0.00 -1.71 0.00 0.00 55.69 55.67 1bw5 s MET 65 Cb -0.28 -1.65 1.36 0.00 2.01 0.00 0.00 34.83 36.27 1bw5 s MET 65 CO 0.20 -3.26 1.73 1.63 -0.01 0.00 0.00 175.02 175.31