#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 -2.13 -3.39 2.12 0.00 -1.26 -4.46 118.16 109.04 1bw5 n LYS 2 Ca 0.00 1.40 -0.45 0.00 0.00 0.00 0.00 58.31 59.27 1bw5 n LYS 2 Cb 0.00 -2.60 -0.06 0.00 0.00 0.00 0.00 35.03 32.38 1bw5 n LYS 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.40 178.39 1bw5 s THR 3 N -1.86 4.97 -0.95 3.15 2.01 -1.26 -5.01 115.64 116.69 1bw5 s THR 3 Ca 0.00 -1.75 -0.21 0.00 0.31 0.00 0.00 61.69 60.04 1bw5 s THR 3 Cb 0.00 -4.19 0.09 0.00 0.01 0.00 0.00 72.50 68.42 1bw5 s THR 3 CO 0.00 -0.87 1.26 0.42 -0.69 0.00 0.00 174.62 174.74 1bw5 s THR 4 N 1.30 4.35 0.00 -0.82 -4.23 -1.26 -4.99 115.64 109.98 1bw5 s THR 4 Ca 0.06 -1.13 0.00 0.00 -1.18 0.00 0.00 61.69 59.44 1bw5 s THR 4 Cb -0.26 -4.89 0.00 0.00 1.34 0.00 0.00 72.50 68.69 1bw5 s THR 4 CO 0.00 -1.69 0.00 0.54 -0.54 0.00 0.00 174.62 172.93 1bw5 n ARG 5 N 7.64 0.91 -2.20 3.99 5.12 -1.26 -4.95 116.66 125.91 1bw5 n ARG 5 Ca 0.26 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.86 1bw5 n ARG 5 Cb 0.50 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 31.75 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 0.40 3.58 -0.27 1.55 1.01 -1.26 -4.74 120.40 120.67 1bw5 s VAL 6 Ca 0.00 -0.44 0.10 0.00 0.00 0.00 0.00 61.98 61.64 1bw5 s VAL 6 Cb 0.00 -4.32 0.50 0.00 0.00 0.00 0.00 36.38 32.56 1bw5 s VAL 6 CO 0.00 -1.24 1.43 0.54 0.00 0.00 0.00 175.10 175.83 1bw5 n ARG 7 N 8.89 1.90 -2.76 2.72 5.12 -1.26 -5.03 116.66 126.23 1bw5 n ARG 7 Ca 0.36 -3.15 -0.29 0.00 -1.93 0.00 0.00 57.85 52.85 1bw5 n ARG 7 Cb 0.48 -1.79 -0.02 0.00 -1.16 0.00 0.00 32.46 29.97 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.95 -1.93 0.00 0.00 177.63 176.65 1bw5 s THR 8 N -3.20 4.86 0.00 0.55 -4.23 -1.26 -5.00 115.64 107.36 1bw5 s THR 8 Ca 0.43 0.39 0.00 0.00 -1.18 0.00 0.00 61.69 61.33 1bw5 s THR 8 Cb 0.39 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 70.43 1bw5 s THR 8 CO 0.00 -0.68 0.65 1.33 -0.54 0.00 0.00 174.62 175.38 1bw5 n VAL 9 N -1.76 0.41 -2.52 2.29 0.24 -1.26 -5.03 118.33 110.71 1bw5 n VAL 9 Ca 0.01 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.39 1bw5 n VAL 9 Cb 0.54 0.91 -0.02 0.00 -1.47 0.00 0.00 33.84 33.81 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 -0.41 4.18 0.00 1.34 1.98 -1.26 -4.94 118.68 119.57 1bw5 s LEU 10 Ca 0.00 1.61 0.00 0.00 -2.89 0.00 0.00 54.13 52.85 1bw5 s LEU 10 Cb 0.00 -3.54 0.00 0.00 0.66 0.00 0.00 46.19 43.31 1bw5 s LEU 10 CO 0.00 -0.67 0.00 -0.46 -1.89 0.00 0.00 176.35 173.33 1bw5 n ASN 11 N 6.12 0.00 0.21 3.68 6.94 -1.26 -4.95 115.26 125.99 1bw5 n ASN 11 Ca 0.12 -0.49 0.13 0.00 -0.02 0.00 0.00 54.58 54.32 1bw5 n ASN 11 Cb 0.46 0.00 0.49 0.00 -2.36 0.00 0.00 39.78 38.37 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 -1.98 -0.26 114.58 113.33 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 1.17 -0.73 0.00 0.00 179.01 179.45 1bw5 n LYS 13 N -2.96 0.00 0.30 1.92 3.00 -1.26 -3.49 118.16 115.67 1bw5 n LYS 13 Ca 0.04 0.00 0.17 0.00 -0.00 0.00 0.00 58.31 58.52 1bw5 n LYS 13 Cb 0.79 -0.51 0.96 0.00 0.00 0.00 0.00 35.03 36.27 1bw5 n LYS 13 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1bw5 h GLN 14 N 0.00 0.00 -0.21 1.64 1.08 -1.90 -2.90 115.11 112.82 1bw5 h GLN 14 Ca 0.00 0.00 0.05 0.00 -1.45 0.00 0.00 58.65 57.25 1bw5 h GLN 14 Cb 0.00 0.00 -0.06 0.00 -0.05 0.00 0.00 27.48 27.37 1bw5 h GLN 14 CO 0.00 0.02 -0.18 1.25 -0.95 0.00 0.00 178.83 178.98 1bw5 h LEU 15 N 0.00 -0.57 -0.35 1.46 7.12 -1.17 -2.31 115.31 119.49 1bw5 h LEU 15 Ca -0.00 0.11 0.08 0.00 0.13 0.00 0.00 57.88 58.20 1bw5 h LEU 15 Cb 0.09 0.28 -0.08 0.00 -0.53 0.00 0.00 40.66 40.42 1bw5 h LEU 15 CO 0.00 -0.22 -0.27 -0.74 -0.13 0.00 0.00 178.44 177.09 1bw5 h HIS 16 N -0.19 -0.71 0.18 1.25 2.76 -1.54 -2.12 115.15 114.77 1bw5 h HIS 16 Ca 0.12 0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.34 1bw5 h HIS 16 Cb 0.37 0.37 -0.01 0.00 1.55 0.00 0.00 27.41 29.69 1bw5 h HIS 16 CO -0.33 -0.34 -0.21 1.15 -1.30 0.00 0.00 177.93 176.90 1bw5 h THR 17 N -0.22 0.00 -1.04 6.26 2.02 -1.57 -2.15 112.91 116.22 1bw5 h THR 17 Ca 0.17 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.65 1bw5 h THR 17 Cb 0.49 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 66.86 1bw5 h THR 17 CO -0.48 0.00 0.82 -0.07 0.37 0.00 0.00 175.52 176.16 1bw5 h LEU 18 N -0.40 0.00 -1.47 2.58 3.38 -1.32 -0.98 115.31 117.09 1bw5 h LEU 18 Ca -0.02 0.00 0.40 0.00 0.09 0.00 0.00 57.88 58.35 1bw5 h LEU 18 Cb 0.36 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.00 1bw5 h LEU 18 CO -0.04 0.00 0.84 -0.09 0.09 0.00 0.00 178.44 179.24 1bw5 h ARG 19 N 0.00 0.14 -0.27 1.13 2.43 -0.69 0.35 114.38 117.48 1bw5 h ARG 19 Ca 0.49 -0.01 -0.19 0.00 -0.81 0.00 0.00 59.98 59.47 1bw5 h ARG 19 Cb 2.12 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.64 1bw5 h ARG 19 CO -0.01 0.09 -0.57 0.00 -1.51 0.00 0.00 179.97 177.98 1bw5 h THR 20 N 0.14 1.28 0.37 0.20 1.03 -1.32 -3.23 112.91 111.38 1bw5 h THR 20 Ca 0.76 -1.76 -0.00 0.00 -0.01 0.00 0.00 66.41 65.39 1bw5 h THR 20 Cb 2.37 1.67 -0.02 0.00 -1.07 0.00 0.00 68.15 71.10 1bw5 h THR 20 CO -0.34 0.57 -0.39 0.00 -0.01 0.00 0.00 175.52 175.35 1bw5 h TYR 22 N -0.79 0.16 0.00 0.00 3.20 -1.63 0.73 116.97 118.64 1bw5 h TYR 22 Ca -0.03 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1bw5 h TYR 22 Cb 0.71 0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.02 1bw5 h TYR 22 CO -0.23 -0.10 0.00 0.00 -1.64 0.00 0.00 178.16 176.19 1bw5 h ALA 23 N 1.57 1.00 0.00 1.82 0.00 -1.48 -1.44 119.26 120.73 1bw5 h ALA 23 Ca 0.37 0.00 -0.24 0.00 0.00 0.00 0.00 54.91 55.04 1bw5 h ALA 23 Cb 0.60 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 1bw5 h ALA 23 CO -0.49 0.00 -1.62 0.00 0.00 0.00 0.00 179.25 177.13 1bw5 n ALA 24 N -1.82 1.72 -3.65 0.00 0.00 0.25 -4.92 120.51 112.08 1bw5 n ALA 24 Ca -0.01 -0.69 -0.08 0.00 0.00 0.00 0.00 53.44 52.65 1bw5 n ALA 24 Cb 0.07 -0.86 -0.08 0.00 0.00 0.00 0.00 19.45 18.58 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 -5.88 -0.81 0.16 0.00 3.84 -0.54 -5.01 114.94 106.69 1bw5 s ASN 25 Ca -0.04 1.32 0.25 0.00 0.21 0.00 0.00 52.86 54.60 1bw5 s ASN 25 Cb 0.08 1.20 0.92 0.00 -0.55 0.00 0.00 41.25 42.90 1bw5 s ASN 25 CO 0.82 -0.23 1.77 -0.81 -2.79 0.00 0.00 177.10 175.86 1bw5 n PRO 26 N 4.27 0.17 -3.20 0.43 -0.04 -1.25 -4.46 135.00 130.91 1bw5 n PRO 26 Ca -0.21 0.22 0.01 0.00 -0.04 0.00 0.00 63.50 63.48 1bw5 n PRO 26 Cb 0.58 -1.73 -0.01 0.00 -0.04 0.00 0.00 33.50 32.30 1bw5 n PRO 26 CO 0.00 0.00 0.00 -0.98 -0.04 0.00 0.00 175.50 174.48 1bw5 s ARG 27 N -3.12 0.71 0.73 0.54 1.70 -1.26 -5.13 118.95 113.12 1bw5 s ARG 27 Ca 0.10 -0.01 -0.10 0.00 -0.47 0.00 0.00 55.73 55.24 1bw5 s ARG 27 Cb 0.13 0.09 0.16 0.00 -0.57 0.00 0.00 34.95 34.76 1bw5 s ARG 27 CO 0.51 -1.14 0.99 -0.35 -1.08 0.00 0.00 175.30 174.23 1bw5 n PRO 28 N 4.77 -0.78 -0.28 3.89 -0.04 -1.26 -5.11 135.00 136.19 1bw5 n PRO 28 Ca 0.09 -1.76 0.00 0.00 -0.04 0.00 0.00 63.50 61.79 1bw5 n PRO 28 Cb 0.55 -0.95 0.00 0.00 -0.04 0.00 0.00 33.50 33.06 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 -3.50 0.00 0.12 3.54 8.00 -1.26 -5.00 116.55 118.45 1bw5 n ASP 29 Ca 0.13 -0.25 0.17 0.00 0.71 0.00 0.00 54.79 55.55 1bw5 n ASP 29 Cb 0.46 0.00 0.52 0.00 -0.02 0.00 0.00 41.12 42.08 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 1.87 2.13 -3.00 2.24 0.00 -1.99 -2.28 119.26 118.24 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 -0.95 0.00 1.28 0.00 0.00 0.00 179.25 179.58 1bw5 n LEU 31 N -3.12 0.81 0.01 0.00 4.77 -1.26 -3.80 117.00 114.40 1bw5 n LEU 31 Ca 0.08 0.29 0.19 0.00 -0.03 0.00 0.00 56.01 56.54 1bw5 n LEU 31 Cb 0.89 0.00 0.67 0.00 -2.33 0.00 0.00 43.42 42.65 1bw5 n LEU 31 CO 0.17 0.00 1.18 -0.03 -1.33 0.00 0.00 177.39 177.38 1bw5 h MET 32 N 0.00 0.04 -1.19 3.23 4.05 -1.95 -2.11 114.93 117.01 1bw5 h MET 32 Ca 0.00 -0.00 0.35 0.00 -0.28 0.00 0.00 59.70 59.76 1bw5 h MET 32 Cb 0.00 -0.01 -0.10 0.00 -0.80 0.00 0.00 31.60 30.69 1bw5 h MET 32 CO 0.00 0.03 0.78 0.87 0.23 0.00 0.00 176.91 178.82 1bw5 h LYS 33 N 0.05 0.21 0.16 0.39 1.79 -1.51 -0.54 116.57 117.12 1bw5 h LYS 33 Ca 0.24 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.69 1bw5 h LYS 33 Cb 0.90 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.51 1bw5 h LYS 33 CO -0.01 0.14 -0.08 1.49 -1.08 0.00 0.00 179.45 179.91 1bw5 h GLU 34 N 0.22 -0.21 -0.71 3.15 4.22 -1.47 -3.22 114.58 116.56 1bw5 h GLU 34 Ca 0.68 0.01 0.11 0.00 0.08 0.00 0.00 59.36 60.25 1bw5 h GLU 34 Cb 2.06 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 31.31 1bw5 h GLU 34 CO -0.30 -0.14 0.47 -0.56 -2.18 0.00 0.00 179.01 176.30 1bw5 h GLN 35 N -0.26 0.53 -0.92 1.92 3.07 -1.63 -2.19 115.11 115.63 1bw5 h GLN 35 Ca -0.02 -0.03 0.22 0.00 0.09 0.00 0.00 58.65 58.90 1bw5 h GLN 35 Cb 0.16 -0.12 -0.12 0.00 0.08 0.00 0.00 27.48 27.49 1bw5 h GLN 35 CO 0.04 0.35 0.46 -0.07 0.09 0.00 0.00 178.83 179.69 1bw5 h LEU 36 N 0.54 0.46 -0.08 0.06 -0.00 -1.13 -1.42 115.31 113.75 1bw5 h LEU 36 Ca 0.33 0.14 0.00 0.00 -0.00 0.00 0.00 57.88 58.35 1bw5 h LEU 36 Cb 0.56 0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 41.30 1bw5 h LEU 36 CO -0.11 0.06 0.05 0.58 -0.00 0.00 0.00 178.44 179.03 1bw5 h VAL 37 N 0.49 1.04 -0.93 1.22 2.07 -1.40 -2.77 116.25 115.98 1bw5 h VAL 37 Ca 0.57 -0.09 0.15 0.00 0.82 0.00 0.00 66.70 68.15 1bw5 h VAL 37 Cb 1.04 0.95 -0.08 0.00 -1.52 0.00 0.00 31.29 31.69 1bw5 h VAL 37 CO -0.49 0.03 0.59 -0.08 0.02 0.00 0.00 177.57 177.65 1bw5 h GLU 38 N 0.09 0.71 0.55 1.57 4.57 -1.38 2.18 114.58 122.88 1bw5 h GLU 38 Ca 0.03 -0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 1bw5 h GLU 38 Cb 0.01 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.43 1bw5 h GLU 38 CO -0.01 0.47 -0.42 0.52 -1.18 0.00 0.00 179.01 178.39 1bw5 h MET 39 N 0.74 -0.91 0.00 1.92 2.86 -1.31 -3.26 114.93 114.97 1bw5 h MET 39 Ca 0.47 0.06 0.00 0.00 -2.06 0.00 0.00 59.70 58.17 1bw5 h MET 39 Cb 0.73 0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.60 1bw5 h MET 39 CO -0.23 -0.60 -1.02 -2.37 1.06 0.00 0.00 176.91 173.74 1bw5 n THR 40 N -5.04 0.03 -1.09 2.22 5.66 -1.09 -4.95 114.28 110.02 1bw5 n THR 40 Ca -0.11 -0.09 -0.03 0.00 -3.05 0.00 0.00 64.05 60.76 1bw5 n THR 40 Cb 0.41 0.64 -0.01 0.00 -1.55 0.00 0.00 70.33 69.82 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 1.45 0.47 3.80 1.09 0.00 0.73 -4.97 105.19 107.77 1bw5 n GLY 41 Ca 0.03 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.73 4.40 1.28 0.99 1.02 -1.25 -5.00 118.68 119.40 1bw5 s LEU 42 Ca 0.00 1.52 -0.19 0.00 0.02 0.00 0.00 54.13 55.48 1bw5 s LEU 42 Cb 0.00 -3.56 0.29 0.00 0.02 0.00 0.00 46.19 42.94 1bw5 s LEU 42 CO 0.00 0.07 0.70 -1.54 0.02 0.00 0.00 176.35 175.60 1bw5 n SER 43 N 0.92 -3.22 0.18 2.29 3.41 -1.26 -4.76 113.62 111.19 1bw5 n SER 43 Ca -0.03 -0.54 0.05 0.00 -0.26 0.00 0.00 58.87 58.09 1bw5 n SER 43 Cb 0.50 -1.01 0.32 0.00 -0.26 0.00 0.00 64.21 63.76 1bw5 n SER 43 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 1bw5 h PRO 44 N -3.09 0.00 0.11 4.33 0.13 -1.98 -3.05 132.00 128.45 1bw5 h PRO 44 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 1bw5 h PRO 44 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1bw5 h PRO 44 CO 0.30 0.41 -0.27 -0.09 -0.23 0.00 0.00 178.00 178.12 1bw5 h ARG 45 N 0.00 -0.40 -0.91 0.86 2.43 -1.99 0.82 114.38 115.19 1bw5 h ARG 45 Ca -0.00 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1bw5 h ARG 45 Cb 0.90 0.09 -0.04 0.00 -0.42 0.00 0.00 29.97 30.50 1bw5 h ARG 45 CO 0.05 -0.27 0.52 0.28 -1.51 0.00 0.00 179.97 179.04 1bw5 h VAL 46 N -0.42 1.26 0.36 0.20 2.07 -1.92 -2.45 116.25 115.34 1bw5 h VAL 46 Ca -0.01 -0.60 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 1bw5 h VAL 46 Cb 0.41 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.18 1bw5 h VAL 46 CO -0.12 0.28 -0.17 0.40 0.02 0.00 0.00 177.57 177.98 1bw5 h ILE 47 N 1.26 0.65 0.33 4.57 1.08 -1.34 -2.39 117.51 121.68 1bw5 h ILE 47 Ca 0.32 -0.06 -0.01 0.00 -0.39 0.00 0.00 64.86 64.73 1bw5 h ILE 47 Cb -0.01 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 34.40 1bw5 h ILE 47 CO -0.06 0.01 -0.44 -0.09 -0.69 0.00 0.00 178.15 176.88 1bw5 h ARG 48 N -0.51 -0.77 -0.44 2.37 2.43 0.84 -2.35 114.38 115.95 1bw5 h ARG 48 Ca -0.05 0.05 0.13 0.00 -0.81 0.00 0.00 59.98 59.30 1bw5 h ARG 48 Cb 0.39 0.18 -0.02 0.00 -0.42 0.00 0.00 29.97 30.10 1bw5 h ARG 48 CO 0.08 -0.52 0.38 -0.24 -1.51 0.00 0.00 179.97 178.17 1bw5 h VAL 49 N -0.80 0.54 0.44 0.20 3.04 -1.48 -3.05 116.25 115.15 1bw5 h VAL 49 Ca -0.04 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.63 1bw5 h VAL 49 Cb 0.72 0.71 -0.01 0.00 -2.01 0.00 0.00 31.29 30.71 1bw5 h VAL 49 CO -0.11 0.00 -0.34 -0.25 -1.01 0.00 0.00 177.57 175.86 1bw5 h TRP 50 N 0.00 -0.92 -0.97 3.17 7.01 -0.87 -2.62 115.95 120.74 1bw5 h TRP 50 Ca 0.21 -0.00 0.18 0.00 2.11 0.00 0.00 58.89 61.39 1bw5 h TRP 50 Cb 0.97 0.35 -0.09 0.00 -2.10 0.00 0.00 29.16 28.28 1bw5 h TRP 50 CO 0.00 -0.48 0.61 0.74 -2.79 0.00 0.00 178.44 176.52 1bw5 h PHE 51 N -0.75 0.91 0.00 2.65 0.04 -1.60 -1.14 116.94 117.04 1bw5 h PHE 51 Ca -0.06 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.74 1bw5 h PHE 51 Cb 0.62 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 38.50 1bw5 h PHE 51 CO -0.12 0.25 0.00 1.04 -0.60 0.00 0.00 178.31 178.88 1bw5 n GLN 52 N -4.65 0.00 -0.19 1.51 1.13 -1.04 -2.80 117.38 111.35 1bw5 n GLN 52 Ca 0.21 0.65 -0.00 0.00 -1.94 0.00 0.00 57.00 55.91 1bw5 n GLN 52 Cb 0.57 -1.46 0.09 0.00 0.11 0.00 0.00 30.24 29.55 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 -0.12 -0.97 1.08 2.35 -1.19 -2.39 115.58 114.35 1bw5 h ASN 53 Ca 0.00 0.12 0.29 0.00 -0.55 0.00 0.00 56.30 56.17 1bw5 h ASN 53 Cb 0.00 0.19 -0.18 0.00 0.05 0.00 0.00 38.32 38.38 1bw5 h ASN 53 CO 0.00 -0.04 0.12 1.17 -1.65 0.00 0.00 177.43 177.03 1bw5 n LYS 54 N -5.19 -0.07 -0.13 0.81 3.00 -0.46 -0.33 118.16 115.79 1bw5 n LYS 54 Ca 0.08 1.42 -0.06 0.00 -0.00 0.00 0.00 58.31 59.75 1bw5 n LYS 54 Cb 0.31 -2.32 0.00 0.00 0.00 0.00 0.00 35.03 33.02 1bw5 n LYS 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.40 177.31 1bw5 h ARG 55 N 0.00 -0.18 -0.17 1.64 1.12 -1.30 0.12 114.38 115.60 1bw5 h ARG 55 Ca 0.63 0.01 0.02 0.00 -1.11 0.00 0.00 59.98 59.53 1bw5 h ARG 55 Cb 1.41 0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 31.39 1bw5 h ARG 55 CO -0.87 -0.12 0.06 0.00 -3.11 0.00 0.00 179.97 175.92 1bw5 h LYS 57 N 0.15 0.25 -6.94 0.00 3.64 -1.19 -3.43 116.57 109.04 1bw5 h LYS 57 Ca 0.07 -0.04 -0.56 0.00 -1.27 0.00 0.00 60.65 58.86 1bw5 h LYS 57 Cb 0.04 -0.05 0.14 0.00 -0.41 0.00 0.00 32.23 31.96 1bw5 h LYS 57 CO -0.07 0.28 0.45 -0.25 -2.27 0.00 0.00 179.45 177.59 1bw5 n ASP 58 N -4.39 2.12 -2.67 4.20 9.92 0.34 -4.94 116.55 121.14 1bw5 n ASP 58 Ca -0.00 0.95 -0.04 0.00 -0.53 0.00 0.00 54.79 55.17 1bw5 n ASP 58 Cb 0.17 -1.51 0.11 0.00 -0.64 0.00 0.00 41.12 39.25 1bw5 n ASP 58 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1bw5 n LYS 59 N -0.86 0.28 -3.61 -1.24 0.00 -1.26 -4.97 118.16 106.50 1bw5 n LYS 59 Ca 0.11 -0.89 -0.22 0.00 0.00 0.00 0.00 58.31 57.31 1bw5 n LYS 59 Cb 0.44 -0.30 0.07 0.00 0.00 0.00 0.00 35.03 35.24 1bw5 n LYS 59 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1bw5 n LYS 60 N 0.61 -6.54 -2.74 1.64 5.02 -1.26 -4.92 118.16 109.97 1bw5 n LYS 60 Ca -0.03 0.76 -0.43 0.00 -2.02 0.00 0.00 58.31 56.59 1bw5 n LYS 60 Cb 0.74 -5.68 -0.03 0.00 -0.02 0.00 0.00 35.03 30.04 1bw5 n LYS 60 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1bw5 s ARG 61 N -5.95 3.93 0.00 1.97 1.81 -1.26 -4.95 118.95 114.50 1bw5 s ARG 61 Ca 0.27 0.76 0.00 0.00 -1.72 0.00 0.00 55.73 55.05 1bw5 s ARG 61 Cb -0.13 -3.78 0.00 0.00 -0.45 0.00 0.00 34.95 30.60 1bw5 s ARG 61 CO 0.76 -0.94 0.00 0.43 -0.68 0.00 0.00 175.30 174.87 1bw5 n SER 62 N 6.83 0.50 -3.93 0.23 7.64 -1.26 -5.05 113.62 118.57 1bw5 n SER 62 Ca 0.09 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.54 1bw5 n SER 62 Cb 0.48 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.68 1bw5 n SER 62 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1bw5 n ILE 63 N 0.00 4.92 -2.33 0.44 2.08 -1.26 -4.97 119.36 118.23 1bw5 n ILE 63 Ca 0.00 -5.26 -0.41 0.00 0.56 0.00 0.00 62.75 57.64 1bw5 n ILE 63 Cb 0.00 -2.19 -0.03 0.00 -0.75 0.00 0.00 39.64 36.67 1bw5 n ILE 63 CO 0.00 0.00 0.00 -0.04 0.56 0.00 0.00 176.55 177.07 1bw5 s MET 64 N -1.42 3.16 0.23 0.38 -1.94 -1.26 -4.98 119.30 113.47 1bw5 s MET 64 Ca 0.35 0.42 -0.30 0.00 -1.71 0.00 0.00 55.69 54.45 1bw5 s MET 64 Cb 0.07 -4.19 -0.09 0.00 2.01 0.00 0.00 34.83 32.64 1bw5 s MET 64 CO 0.06 -2.12 1.06 1.41 -0.01 0.00 0.00 175.02 175.42 1bw5 s MET 65 N 5.84 4.67 0.00 2.03 1.75 -1.26 -5.28 119.30 127.04 1bw5 s MET 65 Ca 0.53 1.69 0.00 0.00 -1.25 0.00 0.00 55.69 56.67 1bw5 s MET 65 Cb -0.11 -3.25 0.00 0.00 2.84 0.00 0.00 34.83 34.31 1bw5 s MET 65 CO 0.23 0.23 0.00 1.63 -0.65 0.00 0.00 175.02 176.45