#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 -1.96 0.03 5.02 -1.26 -4.79 118.16 115.20 1bw5 n LYS 2 Ca 0.00 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.12 1bw5 n LYS 2 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 34.97 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 -0.66 -0.40 -1.04 -0.18 -1.04 -1.26 -4.63 114.28 105.08 1bw5 n THR 3 Ca 0.00 0.00 0.14 0.00 -2.04 0.00 0.00 64.05 62.15 1bw5 n THR 3 Cb 0.00 -1.99 -0.04 0.00 -1.82 0.00 0.00 70.33 66.49 1bw5 n THR 3 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1bw5 n THR 4 N -2.91 0.00 -3.05 12.58 -1.04 -1.26 -4.82 114.28 113.78 1bw5 n THR 4 Ca -0.18 0.04 -0.24 0.00 -2.04 0.00 0.00 64.05 61.63 1bw5 n THR 4 Cb 0.60 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.73 1bw5 n THR 4 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 1bw5 s ARG 5 N -2.01 3.20 0.40 -2.82 3.00 -1.26 -5.05 118.95 114.41 1bw5 s ARG 5 Ca 0.00 -0.39 -0.26 0.00 0.00 0.00 0.00 55.73 55.08 1bw5 s ARG 5 Cb 0.00 -2.57 -0.09 0.00 0.00 0.00 0.00 34.95 32.30 1bw5 s ARG 5 CO 0.00 -0.17 1.29 0.08 0.00 0.00 0.00 175.30 176.50 1bw5 s VAL 6 N -2.52 2.67 -0.15 3.52 1.01 -1.26 -4.91 120.40 118.77 1bw5 s VAL 6 Ca 0.46 0.60 0.03 0.00 0.00 0.00 0.00 61.98 63.08 1bw5 s VAL 6 Cb -0.10 -3.36 0.11 0.00 0.00 0.00 0.00 36.38 33.03 1bw5 s VAL 6 CO 0.38 0.09 0.85 -2.11 0.00 0.00 0.00 175.10 174.32 1bw5 n ARG 7 N 0.19 0.35 -0.78 2.72 1.85 -1.26 -5.15 116.66 114.58 1bw5 n ARG 7 Ca 0.03 -0.45 -0.34 0.00 -1.00 0.00 0.00 57.85 56.10 1bw5 n ARG 7 Cb 0.44 0.08 0.13 0.00 -1.05 0.00 0.00 32.46 32.06 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 -0.44 0.00 -2.01 8.89 -2.24 -1.26 -4.96 114.28 112.26 1bw5 n THR 8 Ca -0.09 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.45 1bw5 n THR 8 Cb 0.62 -0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.39 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 -3.95 0.04 -2.27 2.28 0.24 -1.26 -5.07 118.33 108.35 1bw5 n VAL 9 Ca 0.01 -0.11 -0.43 0.00 -2.04 0.00 0.00 64.34 61.77 1bw5 n VAL 9 Cb 0.62 0.51 -0.02 0.00 -1.47 0.00 0.00 33.84 33.48 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 -0.06 4.24 0.29 1.34 2.01 -1.26 -5.01 118.68 120.23 1bw5 s LEU 10 Ca 0.03 1.90 0.05 0.00 0.01 0.00 0.00 54.13 56.13 1bw5 s LEU 10 Cb 0.03 -3.54 -0.02 0.00 0.01 0.00 0.00 46.19 42.67 1bw5 s LEU 10 CO -0.01 -0.82 0.43 0.54 1.01 0.00 0.00 176.35 177.50 1bw5 s ASN 11 N 2.45 6.14 0.66 2.29 4.22 -1.26 -4.95 114.94 124.49 1bw5 s ASN 11 Ca 0.62 -0.03 0.20 0.00 -2.14 0.00 0.00 52.86 51.50 1bw5 s ASN 11 Cb -0.26 -1.56 1.06 0.00 1.28 0.00 0.00 41.25 41.77 1bw5 s ASN 11 CO 0.20 -0.27 1.59 1.05 -2.04 0.00 0.00 177.10 177.64 1bw5 h GLU 12 N 1.00 0.00 0.19 3.55 4.11 -2.01 -2.66 114.58 118.77 1bw5 h GLU 12 Ca -0.49 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.93 1bw5 h GLU 12 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1bw5 h GLU 12 CO 0.57 0.00 -0.09 -0.22 0.07 0.00 0.00 179.01 179.34 1bw5 h LYS 13 N 0.00 -0.25 -0.91 1.06 3.64 -2.00 -3.31 116.57 114.80 1bw5 h LYS 13 Ca 0.02 0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.52 1bw5 h LYS 13 Cb 1.20 0.06 -0.07 0.00 -0.41 0.00 0.00 32.23 33.01 1bw5 h LYS 13 CO -0.00 -0.16 0.59 1.96 -2.27 0.00 0.00 179.45 179.56 1bw5 h GLN 14 N -0.47 0.89 -0.68 1.90 4.20 -1.87 -1.73 115.11 117.36 1bw5 h GLN 14 Ca -0.03 -0.05 0.19 0.00 0.06 0.00 0.00 58.65 58.82 1bw5 h GLN 14 Cb 0.20 -0.20 -0.03 0.00 0.30 0.00 0.00 27.48 27.75 1bw5 h GLN 14 CO 0.04 0.59 0.49 1.25 -0.67 0.00 0.00 178.83 180.53 1bw5 h LEU 15 N 0.92 0.01 -0.49 1.46 6.46 -1.65 -2.28 115.31 119.74 1bw5 h LEU 15 Ca 0.42 0.00 0.10 0.00 -0.12 0.00 0.00 57.88 58.28 1bw5 h LEU 15 Cb 0.40 -0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 40.23 1bw5 h LEU 15 CO -0.19 0.01 -0.18 -0.74 -0.62 0.00 0.00 178.44 176.72 1bw5 h HIS 16 N 0.01 -0.44 0.64 1.25 2.76 -1.40 -1.78 115.15 116.20 1bw5 h HIS 16 Ca 0.32 0.05 -0.03 0.00 -2.20 0.00 0.00 60.37 58.51 1bw5 h HIS 16 Cb 1.28 0.27 0.01 0.00 1.55 0.00 0.00 27.41 30.51 1bw5 h HIS 16 CO -0.00 -0.27 -0.31 1.15 -1.30 0.00 0.00 177.93 177.20 1bw5 h THR 17 N -0.07 0.36 -0.89 6.26 2.02 -1.60 -2.97 112.91 116.02 1bw5 h THR 17 Ca 0.23 -0.05 0.20 0.00 0.77 0.00 0.00 66.41 67.57 1bw5 h THR 17 Cb 0.43 0.38 -0.12 0.00 -1.74 0.00 0.00 68.15 67.10 1bw5 h THR 17 CO -0.54 0.01 0.40 -0.07 0.37 0.00 0.00 175.52 175.69 1bw5 h LEU 18 N -0.89 0.37 -0.75 2.58 3.38 -1.56 -0.80 115.31 117.64 1bw5 h LEU 18 Ca -0.09 0.14 0.17 0.00 0.09 0.00 0.00 57.88 58.19 1bw5 h LEU 18 Cb 0.67 0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.42 1bw5 h LEU 18 CO 0.14 0.04 0.19 -0.09 0.09 0.00 0.00 178.44 178.82 1bw5 h ARG 19 N 0.45 0.27 -0.39 1.13 1.12 -1.16 -0.17 114.38 115.62 1bw5 h ARG 19 Ca 0.54 -0.02 -0.12 0.00 -1.11 0.00 0.00 59.98 59.27 1bw5 h ARG 19 Cb 0.98 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.86 1bw5 h ARG 19 CO -0.49 0.18 -0.25 1.79 -3.11 0.00 0.00 179.97 178.09 1bw5 h THR 20 N 0.28 1.27 0.70 0.20 1.35 -1.18 -3.01 112.91 112.52 1bw5 h THR 20 Ca 0.43 -1.38 -0.03 0.00 -0.55 0.00 0.00 66.41 64.88 1bw5 h THR 20 Cb 0.74 1.24 0.01 0.00 -1.73 0.00 0.00 68.15 68.41 1bw5 h THR 20 CO -0.52 0.46 -0.34 0.00 -0.25 0.00 0.00 175.52 174.87 1bw5 h TYR 22 N -1.08 0.88 0.14 0.00 5.03 -1.37 1.07 116.97 121.63 1bw5 h TYR 22 Ca -0.10 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.26 1bw5 h TYR 22 Cb 0.72 -0.26 -0.02 0.00 1.55 0.00 0.00 36.73 38.72 1bw5 h TYR 22 CO 0.03 0.10 -0.20 0.00 -1.32 0.00 0.00 178.16 176.77 1bw5 h ALA 23 N 1.67 -0.36 -0.07 1.82 0.00 -1.49 -2.69 119.26 118.14 1bw5 h ALA 23 Ca 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.48 1bw5 h ALA 23 Cb 1.27 0.31 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1bw5 h ALA 23 CO -0.38 -0.74 0.00 0.00 0.00 0.00 0.00 179.25 178.13 1bw5 n ALA 24 N -2.49 2.49 -2.87 0.00 0.00 -0.71 -4.66 120.51 112.27 1bw5 n ALA 24 Ca -0.07 -0.66 -0.08 0.00 0.00 0.00 0.00 53.44 52.63 1bw5 n ALA 24 Cb 0.24 -0.92 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 1bw5 n ALA 24 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1bw5 n ASN 25 N 1.03 -2.92 -0.69 0.00 2.85 0.36 -4.98 115.26 110.91 1bw5 n ASN 25 Ca 0.16 -2.84 0.01 0.00 -0.11 0.00 0.00 54.58 51.80 1bw5 n ASN 25 Cb 0.53 1.35 0.06 0.00 1.24 0.00 0.00 39.78 42.96 1bw5 n ASN 25 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1bw5 n PRO 26 N 2.87 1.59 -2.86 1.20 -0.04 -1.03 -3.73 135.00 133.00 1bw5 n PRO 26 Ca 0.20 -0.48 -0.12 0.00 -0.04 0.00 0.00 63.50 63.06 1bw5 n PRO 26 Cb 0.55 -1.59 0.04 0.00 -0.04 0.00 0.00 33.50 32.46 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 0.08 0.89 -1.79 0.54 0.63 -1.26 -5.07 116.66 110.68 1bw5 n ARG 27 Ca 0.04 -2.22 -0.29 0.00 -0.92 0.00 0.00 57.85 54.46 1bw5 n ARG 27 Cb 0.38 -1.30 0.15 0.00 0.45 0.00 0.00 32.46 32.14 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 -0.12 0.93 0.00 -0.14 0.04 -1.26 -5.08 135.00 129.37 1bw5 s PRO 28 Ca 0.30 -0.12 0.00 0.00 0.04 0.00 0.00 61.00 61.22 1bw5 s PRO 28 Cb 0.26 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.95 1bw5 s PRO 28 CO -0.13 -2.26 0.00 -0.25 0.04 0.00 0.00 177.00 174.40 1bw5 n ASP 29 N -3.73 0.00 -0.37 6.66 8.00 -1.26 -4.98 116.55 120.87 1bw5 n ASP 29 Ca 0.12 -0.08 0.29 0.00 0.71 0.00 0.00 54.79 55.82 1bw5 n ASP 29 Cb 0.60 0.00 0.58 0.00 -0.02 0.00 0.00 41.12 42.28 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 1.97 2.48 0.81 2.24 0.00 -1.99 -0.14 119.26 124.62 1bw5 h ALA 30 Ca 0.00 0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1bw5 h ALA 30 Cb 0.00 0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.90 1bw5 h ALA 30 CO 0.00 -0.97 -0.39 1.25 0.00 0.00 0.00 179.25 179.14 1bw5 h LEU 31 N 0.25 -0.92 -1.46 0.00 5.85 -2.01 -3.05 115.31 113.97 1bw5 h LEU 31 Ca 0.68 0.02 -0.03 0.00 0.84 0.00 0.00 57.88 59.39 1bw5 h LEU 31 Cb 1.97 0.24 -0.01 0.00 0.37 0.00 0.00 40.66 43.23 1bw5 h LEU 31 CO -0.33 -0.60 -0.01 -0.03 -0.34 0.00 0.00 178.44 177.13 1bw5 h MET 32 N -1.19 0.34 -1.11 1.25 4.05 -1.62 -2.88 114.93 113.77 1bw5 h MET 32 Ca -0.11 -0.06 0.32 0.00 -0.28 0.00 0.00 59.70 59.58 1bw5 h MET 32 Cb 0.84 -0.06 -0.12 0.00 -0.80 0.00 0.00 31.60 31.47 1bw5 h MET 32 CO 0.18 0.37 0.69 -0.22 0.23 0.00 0.00 176.91 178.17 1bw5 h LYS 33 N 0.33 0.30 0.53 0.39 3.64 -0.96 0.53 116.57 121.34 1bw5 h LYS 33 Ca 0.08 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1bw5 h LYS 33 Cb 0.24 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 32.00 1bw5 h LYS 33 CO 0.01 0.20 -0.26 1.49 -2.27 0.00 0.00 179.45 178.62 1bw5 h GLU 34 N 0.31 -0.69 -0.75 1.90 4.57 -1.57 -1.27 114.58 117.07 1bw5 h GLU 34 Ca 0.69 0.05 -0.00 0.00 -1.18 0.00 0.00 59.36 58.92 1bw5 h GLU 34 Cb 1.82 0.16 -0.04 0.00 -0.16 0.00 0.00 28.75 30.53 1bw5 h GLU 34 CO -0.41 -0.46 0.47 1.96 -1.18 0.00 0.00 179.01 179.39 1bw5 h GLN 35 N -0.73 1.01 -0.58 1.92 7.50 -1.60 -2.51 115.11 120.12 1bw5 h GLN 35 Ca -0.07 -0.08 0.12 0.00 0.50 0.00 0.00 58.65 59.11 1bw5 h GLN 35 Cb 0.55 -0.22 -0.09 0.00 0.05 0.00 0.00 27.48 27.77 1bw5 h GLN 35 CO 0.12 0.70 0.03 -0.07 -1.50 0.00 0.00 178.83 178.11 1bw5 h LEU 36 N 1.02 -0.20 -0.16 1.46 -0.00 -0.88 0.13 115.31 116.68 1bw5 h LEU 36 Ca 0.27 0.13 0.05 0.00 -0.00 0.00 0.00 57.88 58.34 1bw5 h LEU 36 Cb -0.06 0.23 -0.06 0.00 -0.00 0.00 0.00 40.66 40.77 1bw5 h LEU 36 CO -0.05 -0.08 -0.28 0.58 -0.00 0.00 0.00 178.44 178.61 1bw5 h VAL 37 N 0.14 0.34 0.00 1.22 2.07 -0.77 -0.73 116.25 118.52 1bw5 h VAL 37 Ca 0.30 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.78 1bw5 h VAL 37 Cb 0.47 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 1bw5 h VAL 37 CO -0.47 0.00 -0.17 -0.33 0.02 0.00 0.00 177.57 176.62 1bw5 h GLU 38 N -0.34 0.00 -0.39 1.57 4.39 -1.17 0.57 114.58 119.21 1bw5 h GLU 38 Ca 0.11 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.80 1bw5 h GLU 38 Cb 0.51 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1bw5 h GLU 38 CO -0.35 0.17 0.22 0.52 -1.16 0.00 0.00 179.01 178.41 1bw5 h MET 39 N 0.00 0.54 0.00 2.33 2.86 0.76 -3.35 114.93 118.07 1bw5 h MET 39 Ca -0.00 -0.06 -0.39 0.00 -2.06 0.00 0.00 59.70 57.19 1bw5 h MET 39 Cb 0.42 -0.11 -0.06 0.00 0.06 0.00 0.00 31.60 31.91 1bw5 h MET 39 CO 0.02 0.42 -2.32 -2.37 1.06 0.00 0.00 176.91 173.73 1bw5 n THR 40 N -4.75 1.30 0.00 2.22 5.66 -1.11 -5.01 114.28 112.58 1bw5 n THR 40 Ca 0.00 -0.36 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 1bw5 n THR 40 Cb 0.07 -1.73 0.00 0.00 -1.55 0.00 0.00 70.33 67.12 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 1.67 0.82 3.92 1.09 0.00 0.20 -5.10 105.19 107.79 1bw5 n GLY 41 Ca -0.46 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 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 0.00 2.67 0.70 0.99 2.34 -1.25 -4.97 118.68 119.15 1bw5 s LEU 42 Ca 0.00 0.40 -0.11 0.00 0.06 0.00 0.00 54.13 54.48 1bw5 s LEU 42 Cb 0.00 -2.59 0.01 0.00 -0.56 0.00 0.00 46.19 43.05 1bw5 s LEU 42 CO 0.00 -2.44 1.07 -0.94 -1.06 0.00 0.00 176.35 172.98 1bw5 s SER 43 N -4.79 5.26 0.39 1.48 1.04 -1.26 -4.76 113.70 111.05 1bw5 s SER 43 Ca 0.70 1.67 0.20 0.00 0.48 0.00 0.00 55.95 59.00 1bw5 s SER 43 Cb -0.06 -2.50 0.66 0.00 0.10 0.00 0.00 66.02 64.21 1bw5 s SER 43 CO 0.51 -1.53 1.71 1.55 0.98 0.00 0.00 173.24 176.47 1bw5 h PRO 44 N -0.72 0.00 -0.31 4.02 0.13 -1.96 -3.29 132.00 129.87 1bw5 h PRO 44 Ca -0.44 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.76 1bw5 h PRO 44 Cb 1.21 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 1bw5 h PRO 44 CO 0.56 0.33 -0.29 0.00 -0.23 0.00 0.00 178.00 178.36 1bw5 h ARG 45 N 0.00 -0.26 -0.38 0.86 3.08 -2.01 -0.87 114.38 114.80 1bw5 h ARG 45 Ca -0.00 0.02 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1bw5 h ARG 45 Cb 0.93 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.02 1bw5 h ARG 45 CO 0.04 -0.17 0.08 0.28 -1.07 0.00 0.00 179.97 179.13 1bw5 h VAL 46 N -0.27 1.18 -0.47 2.04 2.07 -1.97 -2.91 116.25 115.92 1bw5 h VAL 46 Ca 0.15 -0.65 0.08 0.00 0.82 0.00 0.00 66.70 67.10 1bw5 h VAL 46 Cb 0.51 0.81 -0.06 0.00 -1.52 0.00 0.00 31.29 31.03 1bw5 h VAL 46 CO -0.46 0.23 0.10 0.40 0.02 0.00 0.00 177.57 177.86 1bw5 h ILE 47 N 0.55 0.75 0.26 4.57 1.08 -1.27 -2.89 117.51 120.56 1bw5 h ILE 47 Ca 0.13 -0.08 -0.00 0.00 -0.39 0.00 0.00 64.86 64.52 1bw5 h ILE 47 Cb 0.23 0.50 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 1bw5 h ILE 47 CO -0.00 0.04 -0.43 -0.09 -0.69 0.00 0.00 178.15 176.98 1bw5 h ARG 48 N 0.23 -0.71 -0.26 2.37 2.43 -1.28 -2.79 114.38 114.38 1bw5 h ARG 48 Ca 0.23 0.05 0.08 0.00 -0.81 0.00 0.00 59.98 59.52 1bw5 h ARG 48 Cb 0.30 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 30.00 1bw5 h ARG 48 CO -0.30 -0.47 0.20 -0.24 -1.51 0.00 0.00 179.97 177.64 1bw5 h VAL 49 N -0.74 0.79 0.44 0.20 3.04 -1.62 -3.03 116.25 115.34 1bw5 h VAL 49 Ca -0.03 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.65 1bw5 h VAL 49 Cb 0.68 0.86 -0.01 0.00 -2.01 0.00 0.00 31.29 30.81 1bw5 h VAL 49 CO -0.15 0.00 -0.40 -0.25 -1.01 0.00 0.00 177.57 175.77 1bw5 h TRP 50 N 0.00 -1.10 0.03 3.17 7.01 -1.28 0.38 115.95 124.16 1bw5 h TRP 50 Ca 0.12 0.00 0.03 0.00 2.11 0.00 0.00 58.89 61.15 1bw5 h TRP 50 Cb 0.52 0.42 -0.04 0.00 -2.10 0.00 0.00 29.16 27.96 1bw5 h TRP 50 CO 0.00 -0.54 -0.23 0.74 -2.79 0.00 0.00 178.44 175.62 1bw5 h PHE 51 N -0.83 -0.62 0.07 2.65 0.04 -1.61 0.13 116.94 116.78 1bw5 h PHE 51 Ca -0.06 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.73 1bw5 h PHE 51 Cb 0.71 0.27 -0.01 0.00 2.20 0.00 0.00 35.95 39.12 1bw5 h PHE 51 CO -0.19 -0.32 -0.11 0.37 -0.60 0.00 0.00 178.31 177.46 1bw5 h GLN 52 N -0.38 -0.19 -0.40 1.51 4.15 -1.41 -1.65 115.11 116.74 1bw5 h GLN 52 Ca 0.05 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.57 1bw5 h GLN 52 Cb 0.45 0.04 -0.08 0.00 0.21 0.00 0.00 27.48 28.10 1bw5 h GLN 52 CO -0.19 -0.13 -0.16 -0.97 -1.93 0.00 0.00 178.83 175.46 1bw5 h ASN 53 N -0.20 -0.55 -0.17 -0.69 -0.73 -0.21 -2.78 115.58 110.25 1bw5 h ASN 53 Ca -0.01 0.14 0.05 0.00 1.87 0.00 0.00 56.30 58.35 1bw5 h ASN 53 Cb 0.18 0.32 -0.07 0.00 0.27 0.00 0.00 38.32 39.02 1bw5 h ASN 53 CO -0.04 -0.19 -0.32 0.50 -0.37 0.00 0.00 177.43 177.01 1bw5 h LYS 54 N -0.08 -0.36 -0.20 6.67 1.63 -0.62 -2.42 116.57 121.19 1bw5 h LYS 54 Ca 0.20 0.02 0.03 0.00 -0.85 0.00 0.00 60.65 60.05 1bw5 h LYS 54 Cb 0.38 0.08 -0.06 0.00 -0.60 0.00 0.00 32.23 32.03 1bw5 h LYS 54 CO -0.46 -0.24 -0.47 -0.09 -3.45 0.00 0.00 179.45 174.74 1bw5 h ARG 55 N -0.38 -0.43 0.34 1.90 2.43 -1.01 1.00 114.38 118.24 1bw5 h ARG 55 Ca 0.11 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1bw5 h ARG 55 Cb 0.54 0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.16 1bw5 h ARG 55 CO -0.38 -0.29 -0.46 0.00 -1.51 0.00 0.00 179.97 177.34 1bw5 h LYS 57 N -0.84 0.00 -3.45 0.00 3.64 -1.21 -3.30 116.57 111.41 1bw5 h LYS 57 Ca -0.03 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.05 1bw5 h LYS 57 Cb 0.77 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.60 1bw5 h LYS 57 CO -0.13 0.12 2.17 -0.25 -2.27 0.00 0.00 179.45 179.09 1bw5 n ASP 58 N -4.11 4.01 -4.42 4.20 9.92 0.35 -4.80 116.55 121.70 1bw5 n ASP 58 Ca -0.02 -2.24 -0.31 0.00 -0.53 0.00 0.00 54.79 51.68 1bw5 n ASP 58 Cb 0.20 -0.97 -0.06 0.00 -0.64 0.00 0.00 41.12 39.65 1bw5 n ASP 58 CO 0.00 0.00 0.00 2.29 0.13 0.00 0.00 177.20 179.62 1bw5 n LYS 59 N 4.21 1.62 -3.01 -1.24 -0.00 -1.24 -4.32 118.16 114.18 1bw5 n LYS 59 Ca 0.36 -2.38 -0.12 0.00 -0.00 0.00 0.00 58.31 56.17 1bw5 n LYS 59 Cb 0.13 -3.59 0.01 0.00 -0.00 0.00 0.00 35.03 31.59 1bw5 n LYS 59 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 1bw5 n LYS 60 N 8.06 -2.30 -1.16 -1.58 4.81 -1.26 -4.86 118.16 119.87 1bw5 n LYS 60 Ca 0.46 1.97 -0.36 0.00 -0.87 0.00 0.00 58.31 59.51 1bw5 n LYS 60 Cb 0.45 -4.24 0.07 0.00 0.02 0.00 0.00 35.03 31.34 1bw5 n LYS 60 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1bw5 n ARG 61 N 0.16 0.16 -2.60 1.64 0.63 -1.26 -4.87 116.66 110.52 1bw5 n ARG 61 Ca 0.03 0.09 -0.42 0.00 -0.92 0.00 0.00 57.85 56.63 1bw5 n ARG 61 Cb 0.40 -1.75 -0.03 0.00 0.45 0.00 0.00 32.46 31.54 1bw5 n ARG 61 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 1bw5 s SER 62 N -1.52 7.17 -0.08 6.15 1.04 -1.26 -4.99 113.70 120.20 1bw5 s SER 62 Ca 0.62 1.63 -0.30 0.00 0.48 0.00 0.00 55.95 58.38 1bw5 s SER 62 Cb -0.32 -2.56 -0.03 0.00 0.10 0.00 0.00 66.02 63.21 1bw5 s SER 62 CO 0.62 -0.51 1.26 -0.63 0.98 0.00 0.00 173.24 174.96 1bw5 s ILE 63 N 2.15 4.16 -2.13 -1.02 1.01 -1.26 -4.90 121.20 119.21 1bw5 s ILE 63 Ca 0.51 1.47 0.19 0.00 0.00 0.00 0.00 60.65 62.82 1bw5 s ILE 63 Cb -0.20 -3.95 0.09 0.00 0.01 0.00 0.00 42.46 38.41 1bw5 s ILE 63 CO 0.19 -0.04 1.05 0.80 0.00 0.00 0.00 174.94 176.93 1bw5 n MET 64 N 5.70 1.63 -1.60 2.79 1.56 -1.26 -4.94 117.12 121.00 1bw5 n MET 64 Ca 0.12 -1.35 -0.44 0.00 -0.27 0.00 0.00 57.70 55.76 1bw5 n MET 64 Cb 0.45 -1.36 -0.04 0.00 2.15 0.00 0.00 33.22 34.42 1bw5 n MET 64 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 1bw5 n MET 65 N 0.62 2.04 0.00 2.12 2.81 -1.26 -5.37 117.12 118.08 1bw5 n MET 65 Ca 0.10 0.62 0.00 0.00 -1.81 0.00 0.00 57.70 56.61 1bw5 n MET 65 Cb 0.45 -3.07 0.00 0.00 -0.71 0.00 0.00 33.22 29.89 1bw5 n MET 65 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65