#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 -2.33 -0.07 0.03 5.02 -1.26 -4.75 118.16 114.79 1bw5 n LYS 2 Ca 0.00 0.38 -0.08 0.00 -2.02 0.00 0.00 58.31 56.59 1bw5 n LYS 2 Cb 0.00 -4.88 -0.11 0.00 -0.02 0.00 0.00 35.03 30.02 1bw5 n LYS 2 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1bw5 n THR 3 N -2.83 1.02 -2.15 -0.18 -1.04 -1.26 -4.59 114.28 103.25 1bw5 n THR 3 Ca -0.09 -0.61 -0.29 0.00 -2.04 0.00 0.00 64.05 61.03 1bw5 n THR 3 Cb 0.52 -0.66 0.02 0.00 -1.82 0.00 0.00 70.33 68.40 1bw5 n THR 3 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1bw5 n THR 4 N -2.59 2.73 -2.51 12.58 -2.24 -1.26 -5.04 114.28 115.94 1bw5 n THR 4 Ca -0.25 -4.44 -0.23 0.00 -2.27 0.00 0.00 64.05 56.86 1bw5 n THR 4 Cb 0.97 -1.22 0.05 0.00 -2.10 0.00 0.00 70.33 68.03 1bw5 n THR 4 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1bw5 s ARG 5 N -3.67 2.39 0.33 -0.78 3.52 -1.26 -5.05 118.95 114.43 1bw5 s ARG 5 Ca 0.51 -0.65 -0.27 0.00 -0.13 0.00 0.00 55.73 55.18 1bw5 s ARG 5 Cb 0.42 -2.39 -0.09 0.00 -1.56 0.00 0.00 34.95 31.33 1bw5 s ARG 5 CO -0.14 -0.91 1.09 0.54 -0.81 0.00 0.00 175.30 175.07 1bw5 s VAL 6 N -2.92 3.51 0.00 7.11 0.11 -1.26 -4.89 120.40 122.05 1bw5 s VAL 6 Ca 0.59 1.36 0.00 0.00 -2.93 0.00 0.00 61.98 61.00 1bw5 s VAL 6 Cb -0.10 -3.81 0.00 0.00 -1.53 0.00 0.00 36.38 30.94 1bw5 s VAL 6 CO 0.40 0.21 0.36 -2.11 -3.33 0.00 0.00 175.10 170.63 1bw5 n ARG 7 N 0.64 0.00 -2.00 1.54 1.85 -1.26 -5.15 116.66 112.28 1bw5 n ARG 7 Ca 0.02 -0.13 -0.29 0.00 -1.00 0.00 0.00 57.85 56.44 1bw5 n ARG 7 Cb 0.46 0.11 0.18 0.00 -1.05 0.00 0.00 32.46 32.16 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.95 -0.01 0.00 0.00 177.63 178.57 1bw5 s THR 8 N 0.00 2.01 -0.12 8.89 -4.23 -1.26 -5.03 115.64 115.90 1bw5 s THR 8 Ca 0.00 -0.06 0.12 0.00 -1.18 0.00 0.00 61.69 60.57 1bw5 s THR 8 Cb 0.00 -2.95 0.27 0.00 1.34 0.00 0.00 72.50 71.16 1bw5 s THR 8 CO 0.00 0.00 1.19 1.33 -0.54 0.00 0.00 174.62 176.60 1bw5 n VAL 9 N -3.66 0.19 -2.95 2.29 0.24 -1.26 -5.12 118.33 108.06 1bw5 n VAL 9 Ca 0.15 -0.90 -0.33 0.00 -2.04 0.00 0.00 64.34 61.22 1bw5 n VAL 9 Cb 0.60 0.85 -0.07 0.00 -1.47 0.00 0.00 33.84 33.75 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 -1.56 3.99 0.00 1.34 2.01 -1.26 -5.02 118.68 118.18 1bw5 s LEU 10 Ca 0.14 1.51 0.00 0.00 0.01 0.00 0.00 54.13 55.79 1bw5 s LEU 10 Cb 0.25 -4.35 0.00 0.00 0.01 0.00 0.00 46.19 42.10 1bw5 s LEU 10 CO -0.08 -0.30 0.00 -0.46 1.01 0.00 0.00 176.35 176.52 1bw5 n ASN 11 N -0.54 0.00 0.16 2.29 0.23 -1.26 -5.00 115.26 111.13 1bw5 n ASN 11 Ca 0.06 -0.85 0.19 0.00 -0.53 0.00 0.00 54.58 53.45 1bw5 n ASN 11 Cb 0.54 0.00 0.77 0.00 -2.08 0.00 0.00 39.78 39.00 1bw5 n ASN 11 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1bw5 h GLU 12 N 0.00 0.00 0.00 -3.83 5.08 -1.99 -2.00 114.58 111.84 1bw5 h GLU 12 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 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 -1.00 0.00 0.00 179.01 179.64 1bw5 n LYS 13 N -3.52 0.00 0.15 2.33 5.02 -1.26 -3.26 118.16 117.62 1bw5 n LYS 13 Ca 0.05 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.49 1bw5 n LYS 13 Cb 0.55 -0.73 0.72 0.00 -0.02 0.00 0.00 35.03 35.55 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 0.00 0.06 1.97 4.20 -1.95 -2.61 115.11 116.78 1bw5 h GLN 14 Ca 0.00 0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1bw5 h GLN 14 Cb 0.00 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1bw5 h GLN 14 CO 0.00 0.00 -0.18 1.25 -0.67 0.00 0.00 178.83 179.23 1bw5 h LEU 15 N 0.00 -0.51 -0.73 1.46 7.12 -1.49 -2.84 115.31 118.32 1bw5 h LEU 15 Ca 0.12 0.07 0.16 0.00 0.13 0.00 0.00 57.88 58.35 1bw5 h LEU 15 Cb 0.52 0.20 -0.13 0.00 -0.53 0.00 0.00 40.66 40.72 1bw5 h LEU 15 CO -0.00 -0.25 -0.07 0.45 -0.13 0.00 0.00 178.44 178.44 1bw5 h HIS 16 N -0.32 -0.18 0.37 1.25 3.86 -1.44 -1.92 115.15 116.77 1bw5 h HIS 16 Ca 0.04 0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.29 1bw5 h HIS 16 Cb 0.36 0.20 -0.00 0.00 1.06 0.00 0.00 27.41 29.03 1bw5 h HIS 16 CO -0.20 -0.27 -0.22 1.15 0.86 0.00 0.00 177.93 179.25 1bw5 h THR 17 N 0.06 0.00 -1.22 2.45 2.02 -1.63 -2.66 112.91 111.93 1bw5 h THR 17 Ca 0.38 0.00 0.35 0.00 0.77 0.00 0.00 66.41 67.91 1bw5 h THR 17 Cb 0.64 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.96 1bw5 h THR 17 CO -0.69 0.00 0.83 -0.07 0.37 0.00 0.00 175.52 175.96 1bw5 h LEU 18 N -0.55 0.22 -0.66 2.58 3.38 -1.43 -1.07 115.31 117.78 1bw5 h LEU 18 Ca -0.05 0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.11 1bw5 h LEU 18 Cb 0.44 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.13 1bw5 h LEU 18 CO 0.05 -0.01 0.15 -0.09 0.09 0.00 0.00 178.44 178.64 1bw5 h ARG 19 N 0.16 0.26 0.00 1.13 2.43 -0.98 -0.79 114.38 116.60 1bw5 h ARG 19 Ca 0.66 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.73 1bw5 h ARG 19 Cb 2.17 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 31.64 1bw5 h ARG 19 CO -0.20 0.17 -0.41 1.15 -1.51 0.00 0.00 179.97 179.17 1bw5 h THR 20 N 0.27 1.24 0.92 0.20 2.02 -1.25 -3.21 112.91 113.10 1bw5 h THR 20 Ca 0.36 -1.45 -0.05 0.00 0.77 0.00 0.00 66.41 66.04 1bw5 h THR 20 Cb 0.56 1.79 0.01 0.00 -1.74 0.00 0.00 68.15 68.77 1bw5 h THR 20 CO -0.45 0.41 -0.44 0.00 0.37 0.00 0.00 175.52 175.41 1bw5 h TYR 22 N -1.30 -0.32 -0.14 0.00 3.20 -1.53 0.93 116.97 117.80 1bw5 h TYR 22 Ca -0.13 0.07 0.04 0.00 3.14 0.00 0.00 58.73 61.85 1bw5 h TYR 22 Cb 0.95 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 39.47 1bw5 h TYR 22 CO 0.01 -0.32 0.20 0.00 -1.64 0.00 0.00 178.16 176.41 1bw5 h ALA 23 N 1.77 1.65 0.00 1.82 0.00 -1.55 -1.37 119.26 121.57 1bw5 h ALA 23 Ca 0.39 -0.00 -0.31 0.00 0.00 0.00 0.00 54.91 54.98 1bw5 h ALA 23 Cb 0.63 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 1bw5 h ALA 23 CO -0.77 -0.28 -2.10 0.00 0.00 0.00 0.00 179.25 176.10 1bw5 n ALA 24 N -2.24 1.61 -3.20 0.00 0.00 0.29 -4.87 120.51 112.10 1bw5 n ALA 24 Ca 0.01 -1.07 -0.00 0.00 0.00 0.00 0.00 53.44 52.38 1bw5 n ALA 24 Cb 0.31 -0.46 -0.02 0.00 0.00 0.00 0.00 19.45 19.28 1bw5 n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1bw5 s ASN 25 N -5.61 -0.97 0.00 0.00 2.20 0.85 -4.99 114.94 106.42 1bw5 s ASN 25 Ca -0.08 0.16 0.15 0.00 -0.94 0.00 0.00 52.86 52.16 1bw5 s ASN 25 Cb 0.07 1.77 0.92 0.00 -2.00 0.00 0.00 41.25 42.01 1bw5 s ASN 25 CO 0.83 -0.31 1.48 -0.81 -2.94 0.00 0.00 177.10 175.35 1bw5 n PRO 26 N 5.40 0.84 -3.07 3.55 -0.04 -1.09 -4.16 135.00 136.42 1bw5 n PRO 26 Ca 0.02 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.38 1bw5 n PRO 26 Cb 0.52 -1.29 -0.03 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.92 0.45 0.54 3.00 -1.26 -5.08 118.95 115.51 1bw5 s ARG 27 Ca 0.23 -1.13 -0.06 0.00 -1.00 0.00 0.00 55.73 53.77 1bw5 s ARG 27 Cb 0.11 -0.44 0.10 0.00 0.00 0.00 0.00 34.95 34.72 1bw5 s ARG 27 CO 0.18 -1.30 0.61 -0.35 0.00 0.00 0.00 175.30 174.44 1bw5 n PRO 28 N 3.39 -0.43 -0.11 5.12 -0.04 -1.26 -5.11 135.00 136.56 1bw5 n PRO 28 Ca 0.18 -1.07 0.00 0.00 -0.04 0.00 0.00 63.50 62.58 1bw5 n PRO 28 Cb 0.52 -0.59 0.00 0.00 -0.04 0.00 0.00 33.50 33.40 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 -3.31 0.00 0.11 3.54 2.03 -1.26 -4.99 116.55 112.67 1bw5 n ASP 29 Ca 0.08 -0.09 0.19 0.00 0.52 0.00 0.00 54.79 55.49 1bw5 n ASP 29 Cb 0.28 0.00 0.63 0.00 -0.72 0.00 0.00 41.12 41.31 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 2.09 -3.00 -1.67 0.00 -1.99 -1.81 119.26 114.89 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 0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1bw5 h ALA 30 CO 0.00 -0.84 0.00 -0.11 0.00 0.00 0.00 179.25 178.30 1bw5 n LEU 31 N -3.30 0.75 0.28 0.00 7.94 -1.26 -3.52 117.00 117.90 1bw5 n LEU 31 Ca 0.08 0.33 0.19 0.00 -1.11 0.00 0.00 56.01 55.49 1bw5 n LEU 31 Cb 0.79 0.00 0.99 0.00 0.53 0.00 0.00 43.42 45.73 1bw5 n LEU 31 CO 0.21 0.00 1.07 -0.03 -1.11 0.00 0.00 177.39 177.53 1bw5 h MET 32 N 0.00 0.00 -0.94 1.96 4.05 -1.96 -2.67 114.93 115.37 1bw5 h MET 32 Ca 0.00 0.00 0.23 0.00 -0.28 0.00 0.00 59.70 59.65 1bw5 h MET 32 Cb 0.00 0.00 -0.12 0.00 -0.80 0.00 0.00 31.60 30.68 1bw5 h MET 32 CO 0.00 0.00 0.48 -0.22 0.23 0.00 0.00 176.91 177.40 1bw5 h LYS 33 N 0.00 0.47 0.60 0.39 1.63 -1.37 0.63 116.57 118.93 1bw5 h LYS 33 Ca 0.00 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 59.74 1bw5 h LYS 33 Cb 0.07 -0.11 0.01 0.00 -0.60 0.00 0.00 32.23 31.60 1bw5 h LYS 33 CO 0.00 0.31 -0.29 0.93 -3.45 0.00 0.00 179.45 176.95 1bw5 h GLU 34 N 0.49 -0.78 -0.29 1.90 4.39 -1.58 -3.20 114.58 115.51 1bw5 h GLU 34 Ca 0.59 0.05 -0.03 0.00 0.34 0.00 0.00 59.36 60.32 1bw5 h GLU 34 Cb 1.12 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.93 1bw5 h GLU 34 CO -0.50 -0.52 0.05 1.96 -1.16 0.00 0.00 179.01 178.85 1bw5 h GLN 35 N -0.92 0.42 -0.91 2.33 7.50 -1.62 -2.94 115.11 118.96 1bw5 h GLN 35 Ca -0.08 -0.06 0.25 0.00 0.50 0.00 0.00 58.65 59.25 1bw5 h GLN 35 Cb 0.62 -0.07 -0.14 0.00 0.05 0.00 0.00 27.48 27.94 1bw5 h GLN 35 CO 0.14 0.41 0.36 -0.07 -1.50 0.00 0.00 178.83 178.17 1bw5 h LEU 36 N 0.41 0.23 -0.42 1.46 -0.00 0.26 0.39 115.31 117.65 1bw5 h LEU 36 Ca 0.10 0.18 0.00 0.00 -0.00 0.00 0.00 57.88 58.16 1bw5 h LEU 36 Cb 0.19 0.19 -0.02 0.00 -0.00 0.00 0.00 40.66 41.02 1bw5 h LEU 36 CO -0.00 -0.10 0.27 0.58 -0.00 0.00 0.00 178.44 179.19 1bw5 h VAL 37 N 0.30 1.12 -0.71 1.22 2.07 -1.57 -2.69 116.25 115.99 1bw5 h VAL 37 Ca 0.60 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.87 1bw5 h VAL 37 Cb 1.22 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 1bw5 h VAL 37 CO -0.60 0.11 0.36 -0.08 0.02 0.00 0.00 177.57 177.38 1bw5 h GLU 38 N 0.57 0.99 -0.43 1.57 4.81 -0.39 0.15 114.58 121.85 1bw5 h GLU 38 Ca 0.15 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.24 1bw5 h GLU 38 Cb -0.05 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.12 1bw5 h GLU 38 CO -0.03 0.75 0.18 0.52 -0.73 0.00 0.00 179.01 179.70 1bw5 h MET 39 N 0.99 0.60 0.00 1.92 2.86 -0.89 -3.32 114.93 117.09 1bw5 h MET 39 Ca 0.25 -0.08 -0.33 0.00 -2.06 0.00 0.00 59.70 57.49 1bw5 h MET 39 Cb 0.07 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 31.56 1bw5 h MET 39 CO -0.04 0.49 -2.14 -2.37 1.06 0.00 0.00 176.91 173.92 1bw5 n THR 40 N -4.38 1.13 0.00 2.22 5.66 -1.15 -5.01 114.28 112.74 1bw5 n THR 40 Ca 0.03 -0.34 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 1bw5 n THR 40 Cb 0.14 -1.54 0.00 0.00 -1.55 0.00 0.00 70.33 67.38 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 2.05 0.60 2.23 1.09 0.00 0.51 -5.09 105.19 106.59 1bw5 n GLY 41 Ca -0.38 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 1bw5 n GLY 41 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1bw5 n LEU 42 N 0.00 0.00 -4.78 0.99 -0.00 -1.26 -5.02 117.00 106.94 1bw5 n LEU 42 Ca 0.00 -1.06 -0.30 0.00 -0.00 0.00 0.00 56.01 54.66 1bw5 n LEU 42 Cb 0.00 -0.47 0.11 0.00 -0.00 0.00 0.00 43.42 43.07 1bw5 n LEU 42 CO 0.00 -0.90 0.70 -0.94 -0.00 0.00 0.00 177.39 176.26 1bw5 s SER 43 N -3.54 4.05 0.41 1.45 1.04 -1.26 -4.85 113.70 111.00 1bw5 s SER 43 Ca 0.40 1.28 0.25 0.00 0.48 0.00 0.00 55.95 58.36 1bw5 s SER 43 Cb -0.02 -1.97 0.57 0.00 0.10 0.00 0.00 66.02 64.70 1bw5 s SER 43 CO 0.28 -2.24 1.69 1.55 0.98 0.00 0.00 173.24 175.49 1bw5 h PRO 44 N -1.28 0.00 -0.13 4.02 0.13 -1.97 -3.29 132.00 129.48 1bw5 h PRO 44 Ca -0.48 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.69 1bw5 h PRO 44 Cb 1.28 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.37 1bw5 h PRO 44 CO 0.59 0.00 -0.15 0.00 -0.23 0.00 0.00 178.00 178.21 1bw5 h ARG 45 N 0.00 -0.18 0.00 0.86 3.08 -2.02 -1.16 114.38 114.95 1bw5 h ARG 45 Ca 0.00 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.02 1bw5 h ARG 45 Cb 0.87 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.96 1bw5 h ARG 45 CO 0.00 -0.12 -0.20 0.28 -1.07 0.00 0.00 179.97 178.86 1bw5 h VAL 46 N -0.19 0.83 1.01 2.04 2.07 -1.97 -3.18 116.25 116.87 1bw5 h VAL 46 Ca 0.09 -0.76 -0.05 0.00 0.82 0.00 0.00 66.70 66.81 1bw5 h VAL 46 Cb 0.32 1.45 0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1bw5 h VAL 46 CO -0.24 0.19 -0.49 0.40 0.02 0.00 0.00 177.57 177.46 1bw5 h ILE 47 N 0.00 0.00 -0.07 4.57 1.08 -1.32 -2.04 117.51 119.73 1bw5 h ILE 47 Ca -0.00 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.50 1bw5 h ILE 47 Cb 0.43 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 34.14 1bw5 h ILE 47 CO 0.03 0.00 -0.15 -0.09 -0.69 0.00 0.00 178.15 177.25 1bw5 h ARG 48 N -1.36 -0.20 -0.66 2.37 2.43 -1.54 -2.69 114.38 112.72 1bw5 h ARG 48 Ca -0.14 0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.12 1bw5 h ARG 48 Cb 1.04 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 1bw5 h ARG 48 CO 0.23 -0.13 0.43 -0.24 -1.51 0.00 0.00 179.97 178.75 1bw5 h VAL 49 N -0.21 0.99 0.34 0.20 3.04 -1.57 -3.12 116.25 115.92 1bw5 h VAL 49 Ca 0.07 -0.21 -0.01 0.00 -1.01 0.00 0.00 66.70 65.54 1bw5 h VAL 49 Cb 0.31 0.31 -0.01 0.00 -2.01 0.00 0.00 31.29 29.89 1bw5 h VAL 49 CO -0.19 0.11 -0.28 -0.25 -1.01 0.00 0.00 177.57 175.96 1bw5 h TRP 50 N 0.62 -0.76 -0.65 3.17 7.01 -1.01 -2.84 115.95 121.49 1bw5 h TRP 50 Ca 0.29 0.00 0.14 0.00 2.11 0.00 0.00 58.89 61.42 1bw5 h TRP 50 Cb 0.33 0.29 -0.10 0.00 -2.10 0.00 0.00 29.16 27.57 1bw5 h TRP 50 CO -0.00 -0.38 0.09 0.74 -2.79 0.00 0.00 178.44 176.10 1bw5 h PHE 51 N -0.60 0.13 0.00 2.65 0.04 -1.61 -1.58 116.94 115.97 1bw5 h PHE 51 Ca -0.04 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1bw5 h PHE 51 Cb 0.50 0.05 0.00 0.00 2.20 0.00 0.00 35.95 38.70 1bw5 h PHE 51 CO -0.11 -0.11 0.00 1.04 -0.60 0.00 0.00 178.31 178.53 1bw5 n GLN 52 N -5.20 0.00 -0.20 1.51 1.13 -1.14 -1.64 117.38 111.83 1bw5 n GLN 52 Ca 0.11 0.81 0.00 0.00 -1.94 0.00 0.00 57.00 55.97 1bw5 n GLN 52 Cb 0.38 -1.49 0.08 0.00 0.11 0.00 0.00 30.24 29.33 1bw5 n GLN 52 CO 0.00 0.00 0.00 -0.91 -1.44 0.00 0.00 177.06 174.71 1bw5 h ASN 53 N 0.00 -0.39 -0.74 1.08 2.35 -1.31 -1.69 115.58 114.89 1bw5 h ASN 53 Ca 0.00 0.16 0.16 0.00 -0.55 0.00 0.00 56.30 56.08 1bw5 h ASN 53 Cb 0.00 0.31 -0.13 0.00 0.05 0.00 0.00 38.32 38.55 1bw5 h ASN 53 CO 0.00 -0.15 -0.03 0.50 -1.65 0.00 0.00 177.43 176.10 1bw5 h LYS 54 N 0.07 0.08 -0.85 0.81 3.11 -0.70 0.16 116.57 119.25 1bw5 h LYS 54 Ca 0.31 -0.00 0.13 0.00 -2.81 0.00 0.00 60.65 58.28 1bw5 h LYS 54 Cb 0.49 -0.02 -0.09 0.00 -1.00 0.00 0.00 32.23 31.61 1bw5 h LYS 54 CO -0.56 0.05 0.45 -0.09 -2.81 0.00 0.00 179.45 176.49 1bw5 h ARG 55 N 0.08 0.66 0.06 1.90 2.43 -0.34 0.15 114.38 119.31 1bw5 h ARG 55 Ca 0.40 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.55 1bw5 h ARG 55 Cb 0.68 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.05 1bw5 h ARG 55 CO -0.67 0.43 -0.23 0.00 -1.51 0.00 0.00 179.97 178.00 1bw5 h LYS 57 N -0.39 0.80 -6.27 0.00 1.63 -1.27 -3.40 116.57 107.67 1bw5 h LYS 57 Ca 0.04 -0.09 -0.58 0.00 -0.85 0.00 0.00 60.65 59.17 1bw5 h LYS 57 Cb 0.44 -0.16 -0.03 0.00 -0.60 0.00 0.00 32.23 31.89 1bw5 h LYS 57 CO -0.16 0.61 1.25 0.34 -3.45 0.00 0.00 179.45 178.04 1bw5 s ASP 58 N -5.88 5.98 -0.30 4.20 -1.08 -0.03 -4.90 116.67 114.66 1bw5 s ASP 58 Ca -0.13 1.40 -0.16 0.00 -0.52 0.00 0.00 52.55 53.14 1bw5 s ASP 58 Cb 0.13 -2.53 0.18 0.00 -1.46 0.00 0.00 42.92 39.24 1bw5 s ASP 58 CO 0.77 -1.62 1.13 -0.54 0.52 0.00 0.00 175.17 175.43 1bw5 s LYS 59 N 5.47 0.14 -0.70 4.34 1.02 -1.26 -4.87 119.74 123.88 1bw5 s LYS 59 Ca 0.79 0.27 -0.07 0.00 0.02 0.00 0.00 55.97 56.98 1bw5 s LYS 59 Cb -0.23 0.15 0.01 0.00 -0.52 0.00 0.00 37.83 37.24 1bw5 s LYS 59 CO 0.33 -0.12 0.65 1.17 -0.92 0.00 0.00 175.35 176.46 1bw5 n LYS 60 N 5.27 -1.62 -3.12 1.68 4.81 -1.26 -4.90 118.16 119.02 1bw5 n LYS 60 Ca -0.08 1.28 -0.41 0.00 -0.87 0.00 0.00 58.31 58.24 1bw5 n LYS 60 Cb 0.54 -3.93 -0.06 0.00 0.02 0.00 0.00 35.03 31.60 1bw5 n LYS 60 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 1bw5 s ARG 61 N -3.63 4.08 0.55 1.64 3.52 -1.26 -4.95 118.95 118.90 1bw5 s ARG 61 Ca 0.08 0.50 0.00 0.00 -0.13 0.00 0.00 55.73 56.18 1bw5 s ARG 61 Cb -0.01 -3.66 0.00 0.00 -1.56 0.00 0.00 34.95 29.72 1bw5 s ARG 61 CO 0.83 -0.43 0.00 -1.13 -0.81 0.00 0.00 175.30 173.76 1bw5 n SER 62 N 5.72 -0.38 -0.38 -2.12 3.41 -1.26 -3.89 113.62 114.72 1bw5 n SER 62 Ca -0.01 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.69 1bw5 n SER 62 Cb 0.49 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.43 1bw5 n SER 62 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1bw5 n ILE 63 N 0.00 0.00 -1.62 -1.33 -0.00 -1.26 -4.88 119.36 110.27 1bw5 n ILE 63 Ca 0.00 -0.31 -0.15 0.00 -0.00 0.00 0.00 62.75 62.29 1bw5 n ILE 63 Cb 0.00 1.20 -0.07 0.00 -0.00 0.00 0.00 39.64 40.77 1bw5 n ILE 63 CO 0.00 0.00 0.00 -0.04 -0.00 0.00 0.00 176.55 176.51 1bw5 s MET 64 N -2.06 1.71 0.96 0.38 -1.94 -1.25 -4.77 119.30 112.33 1bw5 s MET 64 Ca 0.14 0.41 0.00 0.00 -1.71 0.00 0.00 55.69 54.53 1bw5 s MET 64 Cb 0.14 -4.81 0.00 0.00 2.01 0.00 0.00 34.83 32.17 1bw5 s MET 64 CO 0.45 -4.33 0.00 -1.33 -0.01 0.00 0.00 175.02 169.81 1bw5 n MET 65 N 8.83 0.00 -0.20 2.03 2.81 -1.26 -4.96 117.12 124.36 1bw5 n MET 65 Ca 0.46 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.35 1bw5 n MET 65 Cb 0.44 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.95 1bw5 n MET 65 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11