#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 -3.91 0.03 2.85 -1.26 -5.11 118.16 110.76 1bw5 n LYS 2 Ca 0.00 -0.18 -0.35 0.00 -1.05 0.00 0.00 58.31 56.73 1bw5 n LYS 2 Cb 0.00 -0.11 -0.05 0.00 -0.65 0.00 0.00 35.03 34.22 1bw5 n LYS 2 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 177.40 177.27 1bw5 s THR 3 N 0.00 5.43 -1.00 0.58 -1.32 -1.26 -5.02 115.64 113.04 1bw5 s THR 3 Ca 0.00 -0.02 -0.01 0.00 -1.21 0.00 0.00 61.69 60.45 1bw5 s THR 3 Cb 0.00 -3.46 0.31 0.00 -1.51 0.00 0.00 72.50 67.84 1bw5 s THR 3 CO 0.00 0.45 1.58 0.41 -2.21 0.00 0.00 174.62 174.85 1bw5 n THR 4 N 1.39 5.43 -1.07 5.08 -1.04 -1.26 -5.02 114.28 117.78 1bw5 n THR 4 Ca -0.15 -5.91 0.14 0.00 -2.04 0.00 0.00 64.05 56.09 1bw5 n THR 4 Cb 0.54 -1.78 -0.04 0.00 -1.82 0.00 0.00 70.33 67.23 1bw5 n THR 4 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 1bw5 n ARG 5 N 0.53 -2.11 -3.67 -2.82 5.12 -1.26 -4.71 116.66 107.75 1bw5 n ARG 5 Ca 0.37 1.46 -0.36 0.00 -1.93 0.00 0.00 57.85 57.39 1bw5 n ARG 5 Cb 0.30 -2.60 -0.08 0.00 -1.16 0.00 0.00 32.46 28.93 1bw5 n ARG 5 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1bw5 s VAL 6 N -2.33 5.37 -0.42 1.55 0.11 -1.26 -5.03 120.40 118.40 1bw5 s VAL 6 Ca 0.00 0.30 0.04 0.00 -2.93 0.00 0.00 61.98 59.39 1bw5 s VAL 6 Cb 0.00 -3.52 0.18 0.00 -1.53 0.00 0.00 36.38 31.50 1bw5 s VAL 6 CO 0.00 0.42 0.39 0.54 -3.33 0.00 0.00 175.10 173.12 1bw5 n ARG 7 N 3.60 0.24 -3.15 1.54 1.74 -1.26 -5.05 116.66 114.32 1bw5 n ARG 7 Ca -0.15 -3.04 0.06 0.00 -0.77 0.00 0.00 57.85 53.95 1bw5 n ARG 7 Cb 0.52 -1.63 -0.02 0.00 -1.02 0.00 0.00 32.46 30.31 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 0.11 -0.13 -0.25 0.55 -4.23 -1.26 -5.14 115.64 105.28 1bw5 s THR 8 Ca 0.33 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.75 1bw5 s THR 8 Cb 0.04 -0.89 -0.04 0.00 1.34 0.00 0.00 72.50 72.95 1bw5 s THR 8 CO -0.18 0.00 0.13 0.68 -0.54 0.00 0.00 174.62 174.71 1bw5 s VAL 9 N 2.98 4.94 -0.15 2.29 -7.23 -1.26 -5.07 120.40 116.91 1bw5 s VAL 9 Ca -0.03 0.04 -0.24 0.00 -1.81 0.00 0.00 61.98 59.94 1bw5 s VAL 9 Cb -0.08 -3.31 -0.02 0.00 0.56 0.00 0.00 36.38 33.53 1bw5 s VAL 9 CO -0.10 0.33 0.76 -0.76 -0.31 0.00 0.00 175.10 175.02 1bw5 s LEU 10 N 1.34 4.21 0.00 1.32 2.01 -1.26 -4.96 118.68 121.34 1bw5 s LEU 10 Ca 0.06 1.11 0.00 0.00 0.01 0.00 0.00 54.13 55.31 1bw5 s LEU 10 Cb -0.15 -3.13 0.00 0.00 0.01 0.00 0.00 46.19 42.93 1bw5 s LEU 10 CO 0.06 -0.29 0.00 -0.46 1.01 0.00 0.00 176.35 176.66 1bw5 n ASN 11 N 4.79 0.00 0.27 2.29 6.94 -1.26 -4.97 115.26 123.33 1bw5 n ASN 11 Ca 0.02 -0.50 0.18 0.00 -0.02 0.00 0.00 54.58 54.26 1bw5 n ASN 11 Cb 0.50 0.00 0.94 0.00 -2.36 0.00 0.00 39.78 38.86 1bw5 n ASN 11 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 1bw5 h GLU 12 N 0.00 0.00 0.00 -3.83 4.81 -1.97 -1.87 114.58 111.72 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 -3.43 0.00 -0.06 1.92 5.02 -1.26 -3.00 118.16 117.35 1bw5 n LYS 13 Ca -0.01 0.15 -0.10 0.00 -2.02 0.00 0.00 58.31 56.33 1bw5 n LYS 13 Cb 0.25 -0.89 -0.04 0.00 -0.02 0.00 0.00 35.03 34.33 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 0.30 -0.36 1.97 4.20 -1.93 -3.03 115.11 116.26 1bw5 h GLN 14 Ca 0.00 -0.04 0.08 0.00 0.06 0.00 0.00 58.65 58.74 1bw5 h GLN 14 Cb 0.00 -0.05 -0.08 0.00 0.30 0.00 0.00 27.48 27.64 1bw5 h GLN 14 CO 0.00 0.32 -0.20 1.25 -0.67 0.00 0.00 178.83 179.53 1bw5 h LEU 15 N 0.21 -0.67 -0.71 1.46 7.12 -1.53 -1.03 115.31 120.16 1bw5 h LEU 15 Ca 0.07 0.15 0.11 0.00 0.13 0.00 0.00 57.88 58.34 1bw5 h LEU 15 Cb 0.11 0.35 -0.08 0.00 -0.53 0.00 0.00 40.66 40.52 1bw5 h LEU 15 CO -0.01 -0.23 0.32 -0.74 -0.13 0.00 0.00 178.44 177.65 1bw5 h HIS 16 N -0.15 0.56 0.54 1.25 2.76 -1.48 -1.64 115.15 117.00 1bw5 h HIS 16 Ca 0.18 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.36 1bw5 h HIS 16 Cb 0.42 -0.14 -0.00 0.00 1.55 0.00 0.00 27.41 29.23 1bw5 h HIS 16 CO -0.42 0.16 -0.34 1.15 -1.30 0.00 0.00 177.93 177.18 1bw5 h THR 17 N 0.52 0.00 -1.02 6.26 2.02 -1.09 -2.69 112.91 116.92 1bw5 h THR 17 Ca 0.36 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.80 1bw5 h THR 17 Cb 0.45 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.75 1bw5 h THR 17 CO -0.32 0.00 0.62 -0.07 0.37 0.00 0.00 175.52 176.12 1bw5 h LEU 18 N -0.83 0.61 -1.82 2.58 3.38 -1.24 0.22 115.31 118.22 1bw5 h LEU 18 Ca -0.07 0.12 0.27 0.00 0.09 0.00 0.00 57.88 58.28 1bw5 h LEU 18 Cb 0.66 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 1bw5 h LEU 18 CO 0.07 0.10 0.68 -0.09 0.09 0.00 0.00 178.44 179.29 1bw5 h ARG 19 N 0.53 0.13 -0.38 1.13 9.65 -0.95 0.11 114.38 124.60 1bw5 h ARG 19 Ca 0.63 -0.01 -0.13 0.00 -1.10 0.00 0.00 59.98 59.37 1bw5 h ARG 19 Cb 1.31 -0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 29.85 1bw5 h ARG 19 CO -0.42 0.08 -0.29 1.79 2.80 0.00 0.00 179.97 183.93 1bw5 h THR 20 N 0.13 1.28 0.52 0.20 1.35 -0.53 -2.98 112.91 112.87 1bw5 h THR 20 Ca 0.49 -1.44 -0.03 0.00 -0.55 0.00 0.00 66.41 64.88 1bw5 h THR 20 Cb 1.70 1.30 0.01 0.00 -1.73 0.00 0.00 68.15 69.42 1bw5 h THR 20 CO -0.08 0.48 -0.25 0.00 -0.25 0.00 0.00 175.52 175.42 1bw5 h TYR 22 N -0.72 0.80 -0.09 0.00 5.03 -1.64 0.62 116.97 120.98 1bw5 h TYR 22 Ca -0.07 0.04 0.03 0.00 2.58 0.00 0.00 58.73 61.30 1bw5 h TYR 22 Cb 0.53 -0.20 -0.00 0.00 1.55 0.00 0.00 36.73 38.61 1bw5 h TYR 22 CO 0.10 -0.01 0.46 0.00 -1.32 0.00 0.00 178.16 177.39 1bw5 h ALA 23 N 1.73 1.58 0.05 1.82 0.00 -1.45 -0.64 119.26 122.35 1bw5 h ALA 23 Ca 0.60 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 55.16 1bw5 h ALA 23 Cb 1.15 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.91 1bw5 h ALA 23 CO -0.51 -0.50 -1.93 0.00 0.00 0.00 0.00 179.25 176.31 1bw5 n ALA 24 N -1.92 0.99 -3.60 0.00 0.00 0.21 -5.00 120.51 111.20 1bw5 n ALA 24 Ca 0.00 -0.72 -0.12 0.00 0.00 0.00 0.00 53.44 52.61 1bw5 n ALA 24 Cb 0.52 -0.43 -0.08 0.00 0.00 0.00 0.00 19.45 19.47 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 -6.97 -0.75 0.00 0.00 3.84 -0.25 -5.03 114.94 105.78 1bw5 s ASN 25 Ca -0.29 1.36 0.10 0.00 0.21 0.00 0.00 52.86 54.25 1bw5 s ASN 25 Cb 0.08 1.34 0.52 0.00 -0.55 0.00 0.00 41.25 42.64 1bw5 s ASN 25 CO 0.64 -0.23 1.35 -0.81 -2.79 0.00 0.00 177.10 175.26 1bw5 n PRO 26 N 3.20 1.18 -3.31 0.43 -0.04 -1.26 -4.16 135.00 131.04 1bw5 n PRO 26 Ca -0.16 -0.27 -0.10 0.00 -0.04 0.00 0.00 63.50 62.93 1bw5 n PRO 26 Cb 0.56 -1.18 -0.06 0.00 -0.04 0.00 0.00 33.50 32.78 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 -1.92 0.40 0.50 0.54 3.52 -1.26 -5.09 118.95 115.63 1bw5 s ARG 27 Ca 0.17 0.10 -0.04 0.00 -0.13 0.00 0.00 55.73 55.82 1bw5 s ARG 27 Cb 0.08 -0.34 0.11 0.00 -1.56 0.00 0.00 34.95 33.23 1bw5 s ARG 27 CO 0.13 -1.04 0.68 -0.35 -0.81 0.00 0.00 175.30 173.91 1bw5 n PRO 28 N 5.35 -0.19 -0.70 5.12 -0.04 -1.26 -5.12 135.00 138.15 1bw5 n PRO 28 Ca 0.00 -1.48 0.00 0.00 -0.04 0.00 0.00 63.50 61.99 1bw5 n PRO 28 Cb 0.49 -0.56 0.00 0.00 -0.04 0.00 0.00 33.50 33.39 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 -3.17 0.00 0.02 3.54 8.00 -1.26 -4.99 116.55 118.69 1bw5 n ASP 29 Ca 0.10 -0.61 0.22 0.00 0.71 0.00 0.00 54.79 55.21 1bw5 n ASP 29 Cb 0.35 0.00 0.66 0.00 -0.02 0.00 0.00 41.12 42.12 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 1.86 2.31 -3.00 2.24 0.00 -2.00 -0.28 119.26 120.39 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 -0.94 0.00 1.28 0.00 0.00 0.00 179.25 179.59 1bw5 n LEU 31 N -3.54 0.05 0.29 0.00 4.77 -1.26 -3.32 117.00 113.99 1bw5 n LEU 31 Ca 0.11 0.43 0.16 0.00 -0.03 0.00 0.00 56.01 56.68 1bw5 n LEU 31 Cb 0.86 0.00 0.88 0.00 -2.33 0.00 0.00 43.42 42.83 1bw5 n LEU 31 CO 0.26 0.00 1.07 0.24 -1.33 0.00 0.00 177.39 177.62 1bw5 h MET 32 N 0.00 0.00 -1.03 3.23 2.86 -1.94 -2.69 114.93 115.36 1bw5 h MET 32 Ca 0.00 0.00 0.26 0.00 -2.06 0.00 0.00 59.70 57.90 1bw5 h MET 32 Cb 0.00 0.00 -0.11 0.00 0.06 0.00 0.00 31.60 31.55 1bw5 h MET 32 CO 0.00 0.05 0.63 -0.22 1.06 0.00 0.00 176.91 178.43 1bw5 h LYS 33 N 0.00 0.48 0.10 1.72 1.63 -1.06 0.59 116.57 120.02 1bw5 h LYS 33 Ca -0.00 -0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.77 1bw5 h LYS 33 Cb 0.17 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.70 1bw5 h LYS 33 CO 0.01 0.32 -0.05 0.93 -3.45 0.00 0.00 179.45 177.21 1bw5 h GLU 34 N 0.49 -0.12 -0.22 1.90 5.08 -1.47 -3.17 114.58 117.07 1bw5 h GLU 34 Ca 0.64 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 59.07 1bw5 h GLU 34 Cb 1.38 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.65 1bw5 h GLU 34 CO -0.42 -0.08 0.18 1.96 -1.00 0.00 0.00 179.01 179.65 1bw5 h GLN 35 N -0.16 0.00 -1.30 2.33 7.50 -1.64 -1.60 115.11 120.24 1bw5 h GLN 35 Ca -0.01 0.00 0.38 0.00 0.50 0.00 0.00 58.65 59.52 1bw5 h GLN 35 Cb 0.10 0.00 -0.07 0.00 0.05 0.00 0.00 27.48 27.55 1bw5 h GLN 35 CO 0.02 0.00 0.91 -0.07 -1.50 0.00 0.00 178.83 178.19 1bw5 h LEU 36 N 0.00 0.13 0.72 1.46 -0.00 0.21 -1.19 115.31 116.63 1bw5 h LEU 36 Ca 0.11 0.04 -0.04 0.00 -0.00 0.00 0.00 57.88 57.99 1bw5 h LEU 36 Cb 0.47 0.02 0.01 0.00 -0.00 0.00 0.00 40.66 41.16 1bw5 h LEU 36 CO -0.00 -0.01 -0.34 0.58 -0.00 0.00 0.00 178.44 178.66 1bw5 h VAL 37 N 0.09 0.00 -0.61 1.22 2.07 -1.38 -3.05 116.25 114.60 1bw5 h VAL 37 Ca 0.67 -0.16 0.18 0.00 0.82 0.00 0.00 66.70 68.21 1bw5 h VAL 37 Cb 2.40 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 1bw5 h VAL 37 CO -0.13 0.00 0.44 -0.33 0.02 0.00 0.00 177.57 177.57 1bw5 h GLU 38 N -1.12 0.00 0.47 1.57 3.07 -1.41 1.54 114.58 118.70 1bw5 h GLU 38 Ca -0.10 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.74 1bw5 h GLU 38 Cb 0.74 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.65 1bw5 h GLU 38 CO 0.16 0.00 -0.23 0.52 -1.40 0.00 0.00 179.01 178.06 1bw5 h MET 39 N 0.00 -0.61 -0.02 2.33 2.86 -1.35 -3.26 114.93 114.87 1bw5 h MET 39 Ca 0.29 0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.97 1bw5 h MET 39 Cb 1.16 0.14 0.00 0.00 0.06 0.00 0.00 31.60 32.96 1bw5 h MET 39 CO -0.00 -0.41 -0.23 -2.37 1.06 0.00 0.00 176.91 174.95 1bw5 n THR 40 N -3.74 0.00 -0.86 2.22 5.66 -1.12 -4.93 114.28 111.51 1bw5 n THR 40 Ca -0.08 -0.29 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 1bw5 n THR 40 Cb 0.25 1.02 0.00 0.00 -1.55 0.00 0.00 70.33 70.05 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 1.35 0.11 3.94 1.09 0.00 0.53 -4.96 105.19 107.24 1bw5 n GLY 41 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 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 2.92 1.02 0.99 1.02 -1.24 -4.96 118.68 118.42 1bw5 s LEU 42 Ca 0.00 0.41 -0.12 0.00 0.02 0.00 0.00 54.13 54.44 1bw5 s LEU 42 Cb 0.00 -3.11 0.20 0.00 0.02 0.00 0.00 46.19 43.30 1bw5 s LEU 42 CO 0.00 -1.48 1.08 -0.94 0.02 0.00 0.00 176.35 175.03 1bw5 s SER 43 N -4.48 2.37 0.31 2.29 1.04 -1.26 -4.73 113.70 109.24 1bw5 s SER 43 Ca 0.59 1.38 0.13 0.00 0.48 0.00 0.00 55.95 58.53 1bw5 s SER 43 Cb -0.11 -2.07 0.49 0.00 0.10 0.00 0.00 66.02 64.43 1bw5 s SER 43 CO 0.44 -3.32 1.67 1.55 0.98 0.00 0.00 173.24 174.56 1bw5 h PRO 44 N -2.02 0.00 0.38 4.02 0.13 -1.97 -3.24 132.00 129.30 1bw5 h PRO 44 Ca -0.55 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.57 1bw5 h PRO 44 Cb 1.32 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.42 1bw5 h PRO 44 CO 0.54 0.53 -0.45 0.00 -0.23 0.00 0.00 178.00 178.39 1bw5 h ARG 45 N 0.00 -0.82 0.00 0.86 3.08 -2.02 -2.40 114.38 113.08 1bw5 h ARG 45 Ca -0.01 0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.09 1bw5 h ARG 45 Cb 0.98 0.19 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 1bw5 h ARG 45 CO 0.07 -0.55 -0.03 0.28 -1.07 0.00 0.00 179.97 178.67 1bw5 h VAL 46 N -0.85 0.69 0.80 2.04 2.07 -1.95 -3.15 116.25 115.90 1bw5 h VAL 46 Ca -0.05 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.32 1bw5 h VAL 46 Cb 0.75 1.07 0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1bw5 h VAL 46 CO -0.09 0.03 -0.39 0.40 0.02 0.00 0.00 177.57 177.54 1bw5 h ILE 47 N 0.00 0.00 -0.26 4.57 1.08 -1.46 -2.74 117.51 118.69 1bw5 h ILE 47 Ca -0.00 -0.02 0.06 0.00 -0.39 0.00 0.00 64.86 64.51 1bw5 h ILE 47 Cb 0.07 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 33.74 1bw5 h ILE 47 CO 0.00 0.00 -0.23 -0.09 -0.69 0.00 0.00 178.15 177.14 1bw5 h ARG 48 N -1.10 -0.22 -0.58 2.37 2.43 -1.49 -2.04 114.38 113.75 1bw5 h ARG 48 Ca -0.11 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.16 1bw5 h ARG 48 Cb 0.83 0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 30.39 1bw5 h ARG 48 CO 0.18 -0.15 0.39 -0.24 -1.51 0.00 0.00 179.97 178.64 1bw5 h VAL 49 N -0.23 0.93 0.26 0.20 3.04 -1.60 -2.85 116.25 116.00 1bw5 h VAL 49 Ca 0.14 -0.15 0.01 0.00 -1.01 0.00 0.00 66.70 65.69 1bw5 h VAL 49 Cb 0.45 0.44 -0.04 0.00 -2.01 0.00 0.00 31.29 30.14 1bw5 h VAL 49 CO -0.40 0.08 -0.44 -0.25 -1.01 0.00 0.00 177.57 175.56 1bw5 h TRP 50 N 0.45 -1.22 -0.86 3.17 7.01 -1.04 -2.17 115.95 121.28 1bw5 h TRP 50 Ca 0.26 0.02 0.17 0.00 2.11 0.00 0.00 58.89 61.45 1bw5 h TRP 50 Cb 0.45 0.50 -0.10 0.00 -2.10 0.00 0.00 29.16 27.91 1bw5 h TRP 50 CO -0.00 -0.56 0.42 0.74 -2.79 0.00 0.00 178.44 176.25 1bw5 h PHE 51 N -0.77 0.72 0.03 2.65 0.04 -1.55 -1.71 116.94 116.35 1bw5 h PHE 51 Ca -0.01 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1bw5 h PHE 51 Cb 0.74 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.69 1bw5 h PHE 51 CO -0.32 0.11 -0.08 0.37 -0.60 0.00 0.00 178.31 177.79 1bw5 h GLN 52 N 0.55 -0.13 -0.96 1.51 4.15 -1.36 -1.79 115.11 117.08 1bw5 h GLN 52 Ca 0.49 0.01 0.25 0.00 0.77 0.00 0.00 58.65 60.16 1bw5 h GLN 52 Cb 0.77 0.03 -0.06 0.00 0.21 0.00 0.00 27.48 28.43 1bw5 h GLN 52 CO -0.41 -0.08 0.65 -0.91 -1.93 0.00 0.00 178.83 176.14 1bw5 h ASN 53 N -0.13 0.27 -0.81 -0.69 2.35 -1.24 -1.36 115.58 113.97 1bw5 h ASN 53 Ca -0.00 0.04 0.15 0.00 -0.55 0.00 0.00 56.30 55.94 1bw5 h ASN 53 Cb 0.13 -0.01 -0.10 0.00 0.05 0.00 0.00 38.32 38.39 1bw5 h ASN 53 CO -0.04 0.08 0.36 0.50 -1.65 0.00 0.00 177.43 176.68 1bw5 h LYS 54 N 0.26 0.48 -0.39 0.81 3.11 -0.41 -2.64 116.57 117.78 1bw5 h LYS 54 Ca 0.50 -0.03 0.06 0.00 -2.81 0.00 0.00 60.65 58.36 1bw5 h LYS 54 Cb 1.50 -0.11 -0.08 0.00 -1.00 0.00 0.00 32.23 32.53 1bw5 h LYS 54 CO -0.14 0.32 -0.52 0.00 -2.81 0.00 0.00 179.45 176.30 1bw5 h ARG 55 N 0.50 -0.37 -0.33 1.90 3.08 -1.10 0.34 114.38 118.39 1bw5 h ARG 55 Ca 0.45 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.53 1bw5 h ARG 55 Cb 0.70 0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.82 1bw5 h ARG 55 CO -0.41 -0.25 0.21 0.00 -1.07 0.00 0.00 179.97 178.45 1bw5 h LYS 57 N 0.44 0.00 -1.14 0.00 1.57 -1.01 -3.45 116.57 112.98 1bw5 h LYS 57 Ca 0.12 0.00 0.26 0.00 -1.87 0.00 0.00 60.65 59.16 1bw5 h LYS 57 Cb -0.03 0.00 -0.24 0.00 0.08 0.00 0.00 32.23 32.04 1bw5 h LYS 57 CO -0.02 0.06 0.92 0.34 -0.57 0.00 0.00 179.45 180.17 1bw5 s ASP 58 N -6.68 -0.06 0.01 0.86 -1.08 0.11 -5.09 116.67 104.74 1bw5 s ASP 58 Ca -0.05 0.04 0.00 0.00 -0.52 0.00 0.00 52.55 52.03 1bw5 s ASP 58 Cb 0.16 0.06 0.00 0.00 -1.46 0.00 0.00 42.92 41.67 1bw5 s ASP 58 CO 0.63 -0.07 0.00 1.17 0.52 0.00 0.00 175.17 177.42 1bw5 n LYS 59 N 0.30 0.00 0.00 4.34 4.81 -1.25 -3.73 118.16 122.63 1bw5 n LYS 59 Ca 0.01 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 1bw5 n LYS 59 Cb 0.58 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.63 1bw5 n LYS 59 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 1bw5 n LYS 60 N -1.83 1.16 -1.00 1.64 2.85 -1.26 -4.95 118.16 114.76 1bw5 n LYS 60 Ca 0.00 0.00 -0.31 0.00 -1.05 0.00 0.00 58.31 56.95 1bw5 n LYS 60 Cb 0.00 -0.92 0.13 0.00 -0.65 0.00 0.00 35.03 33.59 1bw5 n LYS 60 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 1bw5 s ARG 61 N -1.83 1.60 1.21 -1.58 3.00 -1.26 -4.26 118.95 115.83 1bw5 s ARG 61 Ca 0.00 1.45 0.00 0.00 0.00 0.00 0.00 55.73 57.18 1bw5 s ARG 61 Cb 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 34.95 33.15 1bw5 s ARG 61 CO 0.00 -2.18 0.00 0.43 0.00 0.00 0.00 175.30 173.55 1bw5 n SER 62 N -3.76 0.00 -4.60 0.23 7.64 -1.26 -4.61 113.62 107.25 1bw5 n SER 62 Ca 0.11 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.56 1bw5 n SER 62 Cb 0.52 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 1bw5 n SER 62 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1bw5 s ILE 63 N 0.00 3.22 0.00 0.44 -1.09 -1.26 -4.78 121.20 117.72 1bw5 s ILE 63 Ca 0.00 0.23 0.00 0.00 -2.23 0.00 0.00 60.65 58.65 1bw5 s ILE 63 Cb 0.00 -3.28 0.00 0.00 -1.58 0.00 0.00 42.46 37.60 1bw5 s ILE 63 CO 0.00 -0.17 0.90 0.23 -1.23 0.00 0.00 174.94 174.66 1bw5 n MET 64 N 8.53 2.34 -1.39 2.79 2.81 -1.26 -4.64 117.12 126.30 1bw5 n MET 64 Ca 0.26 -1.30 0.19 0.00 -1.81 0.00 0.00 57.70 55.04 1bw5 n MET 64 Cb 0.45 -0.93 -0.05 0.00 -0.71 0.00 0.00 33.22 31.98 1bw5 n MET 64 CO 0.00 0.00 0.00 -1.33 1.51 0.00 0.00 175.97 176.15 1bw5 n MET 65 N -0.40 -2.82 0.00 0.03 2.81 -1.26 -5.18 117.12 110.30 1bw5 n MET 65 Ca 0.00 1.90 0.06 0.00 -1.81 0.00 0.00 57.70 57.85 1bw5 n MET 65 Cb 0.27 -3.43 0.38 0.00 -0.71 0.00 0.00 33.22 29.73 1bw5 n MET 65 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84