#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 1.38 -3.67 0.03 3.00 -1.26 -4.93 118.16 112.71 1bw5 n LYS 2 Ca 0.00 -0.01 -0.39 0.00 -0.00 0.00 0.00 58.31 57.91 1bw5 n LYS 2 Cb 0.00 -0.93 -0.10 0.00 0.00 0.00 0.00 35.03 34.00 1bw5 n LYS 2 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 1bw5 s THR 3 N -1.88 3.84 0.99 3.15 -4.23 -1.26 -5.09 115.64 111.16 1bw5 s THR 3 Ca -0.00 -1.67 -0.13 0.00 -1.18 0.00 0.00 61.69 58.71 1bw5 s THR 3 Cb 0.01 -3.46 0.18 0.00 1.34 0.00 0.00 72.50 70.57 1bw5 s THR 3 CO 0.05 -0.58 1.12 0.42 -0.54 0.00 0.00 174.62 175.09 1bw5 s THR 4 N 1.31 1.96 0.11 3.99 -4.23 -1.26 -5.05 115.64 112.49 1bw5 s THR 4 Ca 0.04 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.56 1bw5 s THR 4 Cb -0.23 -2.62 -0.04 0.00 1.34 0.00 0.00 72.50 70.95 1bw5 s THR 4 CO -0.01 0.00 0.27 -0.60 -0.54 0.00 0.00 174.62 173.74 1bw5 s ARG 5 N -5.17 3.46 -0.73 3.99 3.52 -1.26 -5.01 118.95 117.74 1bw5 s ARG 5 Ca 0.66 -0.48 -0.26 0.00 -0.13 0.00 0.00 55.73 55.52 1bw5 s ARG 5 Cb -0.16 -2.98 -0.01 0.00 -1.56 0.00 0.00 34.95 30.24 1bw5 s ARG 5 CO 0.55 0.55 1.72 0.08 -0.81 0.00 0.00 175.30 177.39 1bw5 s VAL 6 N -1.65 3.50 -0.50 7.11 1.01 -1.26 -4.79 120.40 123.81 1bw5 s VAL 6 Ca 0.35 0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.42 1bw5 s VAL 6 Cb -0.12 -4.26 0.59 0.00 0.00 0.00 0.00 36.38 32.60 1bw5 s VAL 6 CO 0.28 -1.21 1.92 0.54 0.00 0.00 0.00 175.10 176.63 1bw5 n ARG 7 N 9.14 2.37 -2.55 2.72 1.74 -1.26 -4.98 116.66 123.85 1bw5 n ARG 7 Ca 0.21 -3.12 -0.28 0.00 -0.77 0.00 0.00 57.85 53.89 1bw5 n ARG 7 Cb 0.50 -2.19 -0.00 0.00 -1.02 0.00 0.00 32.46 29.75 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 -3.76 4.88 -0.06 0.55 -4.23 -1.26 -5.01 115.64 106.75 1bw5 s THR 8 Ca 0.58 0.31 0.22 0.00 -1.18 0.00 0.00 61.69 61.63 1bw5 s THR 8 Cb 0.48 -3.86 0.43 0.00 1.34 0.00 0.00 72.50 70.89 1bw5 s THR 8 CO 0.07 -0.87 1.18 1.33 -0.54 0.00 0.00 174.62 175.79 1bw5 n VAL 9 N -2.27 0.57 -2.61 2.29 0.24 -1.26 -5.03 118.33 110.26 1bw5 n VAL 9 Ca 0.01 -1.59 -0.41 0.00 -2.04 0.00 0.00 64.34 60.31 1bw5 n VAL 9 Cb 0.55 0.69 -0.03 0.00 -1.47 0.00 0.00 33.84 33.57 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 -0.86 3.43 0.47 1.34 2.01 -1.26 -4.94 118.68 118.86 1bw5 s LEU 10 Ca 0.35 -0.60 0.03 0.00 0.01 0.00 0.00 54.13 53.92 1bw5 s LEU 10 Cb 0.38 -2.53 0.01 0.00 0.01 0.00 0.00 46.19 44.07 1bw5 s LEU 10 CO -0.14 -1.74 0.66 0.20 1.01 0.00 0.00 176.35 176.34 1bw5 s ASN 11 N 3.77 5.59 0.46 2.29 0.01 -1.26 -4.82 114.94 120.98 1bw5 s ASN 11 Ca 0.33 -0.05 0.30 0.00 -0.71 0.00 0.00 52.86 52.73 1bw5 s ASN 11 Cb -0.09 -1.05 1.38 0.00 0.41 0.00 0.00 41.25 41.90 1bw5 s ASN 11 CO 0.13 -0.85 1.69 -0.08 -1.51 0.00 0.00 177.10 176.48 1bw5 h GLU 12 N 0.39 0.15 0.14 -0.60 4.81 -2.00 -0.96 114.58 116.52 1bw5 h GLU 12 Ca -0.43 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 1bw5 h GLU 12 Cb 1.28 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.62 1bw5 h GLU 12 CO 0.52 0.10 -0.07 0.87 -0.73 0.00 0.00 179.01 179.70 1bw5 h LYS 13 N 0.15 -0.19 -0.95 1.92 1.79 -1.99 -3.22 116.57 114.10 1bw5 h LYS 13 Ca 0.72 0.01 0.18 0.00 -2.18 0.00 0.00 60.65 59.39 1bw5 h LYS 13 Cb 2.32 0.04 -0.08 0.00 -1.58 0.00 0.00 32.23 32.93 1bw5 h LYS 13 CO -0.27 -0.12 0.60 1.96 -1.08 0.00 0.00 179.45 180.54 1bw5 h GLN 14 N -0.43 0.61 -0.57 3.15 1.08 -1.84 -1.41 115.11 115.71 1bw5 h GLN 14 Ca -0.02 -0.04 0.11 0.00 -1.45 0.00 0.00 58.65 57.25 1bw5 h GLN 14 Cb 0.15 -0.14 -0.08 0.00 -0.05 0.00 0.00 27.48 27.36 1bw5 h GLN 14 CO 0.03 0.40 0.09 1.25 -0.95 0.00 0.00 178.83 179.65 1bw5 h LEU 15 N 0.63 -0.07 -1.47 1.46 7.12 -1.28 -0.91 115.31 120.80 1bw5 h LEU 15 Ca 0.51 0.11 0.18 0.00 0.13 0.00 0.00 57.88 58.82 1bw5 h LEU 15 Cb 0.95 0.17 -0.07 0.00 -0.53 0.00 0.00 40.66 41.18 1bw5 h LEU 15 CO -0.26 -0.02 0.58 -0.74 -0.13 0.00 0.00 178.44 177.87 1bw5 h HIS 16 N 0.21 0.60 0.09 1.25 2.76 -1.26 -2.56 115.15 116.24 1bw5 h HIS 16 Ca 0.29 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.48 1bw5 h HIS 16 Cb 0.44 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 29.21 1bw5 h HIS 16 CO -0.27 0.18 -0.06 1.15 -1.30 0.00 0.00 177.93 177.63 1bw5 h THR 17 N 0.47 0.00 -0.97 6.26 2.02 -1.24 -2.70 112.91 116.75 1bw5 h THR 17 Ca 0.45 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.87 1bw5 h THR 17 Cb 1.04 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.37 1bw5 h THR 17 CO -0.18 0.00 0.64 -0.07 0.37 0.00 0.00 175.52 176.28 1bw5 h LEU 18 N -0.15 0.41 -0.84 2.58 3.38 -1.59 -0.93 115.31 118.18 1bw5 h LEU 18 Ca -0.01 0.06 0.21 0.00 0.09 0.00 0.00 57.88 58.22 1bw5 h LEU 18 Cb 0.12 -0.02 -0.13 0.00 0.09 0.00 0.00 40.66 40.73 1bw5 h LEU 18 CO 0.01 0.13 0.26 -0.09 0.09 0.00 0.00 178.44 178.84 1bw5 h ARG 19 N 0.39 0.28 -0.10 1.13 2.43 -1.12 0.22 114.38 117.60 1bw5 h ARG 19 Ca 0.52 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.58 1bw5 h ARG 19 Cb 1.34 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.82 1bw5 h ARG 19 CO -0.22 0.18 -0.35 1.15 -1.51 0.00 0.00 179.97 179.23 1bw5 h THR 20 N 0.29 1.28 0.35 0.20 2.02 -1.09 -3.21 112.91 112.75 1bw5 h THR 20 Ca 0.51 -1.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 1bw5 h THR 20 Cb 0.97 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 1bw5 h THR 20 CO -0.57 0.40 -0.17 0.00 0.37 0.00 0.00 175.52 175.55 1bw5 h TYR 22 N -0.58 0.24 0.00 0.00 3.20 -1.50 0.45 116.97 118.78 1bw5 h TYR 22 Ca -0.05 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1bw5 h TYR 22 Cb 0.43 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.71 1bw5 h TYR 22 CO -0.03 -0.13 0.03 0.00 -1.64 0.00 0.00 178.16 176.39 1bw5 h ALA 23 N 1.66 1.02 0.00 1.82 0.00 -1.59 -2.68 119.26 119.49 1bw5 h ALA 23 Ca 0.44 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.98 1bw5 h ALA 23 Cb 0.79 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 1bw5 h ALA 23 CO -0.56 -0.02 -2.39 0.00 0.00 0.00 0.00 179.25 176.28 1bw5 n ALA 24 N -2.02 1.50 -3.22 0.00 0.00 0.15 -4.89 120.51 112.02 1bw5 n ALA 24 Ca -0.03 -1.31 -0.02 0.00 0.00 0.00 0.00 53.44 52.09 1bw5 n ALA 24 Cb 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 19.45 19.35 1bw5 n ALA 24 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1bw5 s ASN 25 N -5.56 -0.89 0.00 0.00 0.01 -0.55 -4.99 114.94 102.96 1bw5 s ASN 25 Ca -0.12 -0.36 0.09 0.00 -0.71 0.00 0.00 52.86 51.77 1bw5 s ASN 25 Cb 0.06 1.67 0.55 0.00 0.41 0.00 0.00 41.25 43.95 1bw5 s ASN 25 CO 0.80 -0.28 1.07 -0.81 -1.51 0.00 0.00 177.10 176.38 1bw5 n PRO 26 N 5.04 0.63 -3.05 -0.60 -0.04 -1.20 -4.00 135.00 131.79 1bw5 n PRO 26 Ca 0.06 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.36 1bw5 n PRO 26 Cb 0.53 -1.23 -0.03 0.00 -0.04 0.00 0.00 33.50 32.73 1bw5 n PRO 26 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1bw5 n ARG 27 N -0.73 0.53 -2.15 0.54 1.85 -1.26 -5.11 116.66 110.32 1bw5 n ARG 27 Ca 0.07 -2.59 -0.27 0.00 -1.00 0.00 0.00 57.85 54.06 1bw5 n ARG 27 Cb 0.03 -1.47 0.11 0.00 -1.05 0.00 0.00 32.46 30.09 1bw5 n ARG 27 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 1bw5 s PRO 28 N 0.10 1.59 0.00 2.89 0.04 -1.26 -5.10 135.00 133.27 1bw5 s PRO 28 Ca 0.33 -0.42 0.00 0.00 0.04 0.00 0.00 61.00 60.95 1bw5 s PRO 28 Cb 0.10 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1bw5 s PRO 28 CO -0.15 -1.68 0.00 -0.25 0.04 0.00 0.00 177.00 174.96 1bw5 n ASP 29 N -3.21 0.00 -0.09 6.66 8.00 -1.26 -4.99 116.55 121.66 1bw5 n ASP 29 Ca 0.11 -0.31 0.24 0.00 0.71 0.00 0.00 54.79 55.55 1bw5 n ASP 29 Cb 0.60 0.00 0.50 0.00 -0.02 0.00 0.00 41.12 42.20 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 2.00 2.66 -3.00 2.24 0.00 -1.99 -1.00 119.26 120.18 1bw5 h ALA 30 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1bw5 h ALA 30 Cb 0.00 0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1bw5 h ALA 30 CO 0.00 -1.41 0.00 -0.11 0.00 0.00 0.00 179.25 177.73 1bw5 n LEU 31 N -3.30 0.62 0.27 0.00 0.00 -1.26 -3.82 117.00 109.50 1bw5 n LEU 31 Ca 0.17 0.35 0.12 0.00 0.00 0.00 0.00 56.01 56.65 1bw5 n LEU 31 Cb 1.25 0.00 0.76 0.00 0.00 0.00 0.00 43.42 45.43 1bw5 n LEU 31 CO 0.23 0.00 1.02 0.24 0.00 0.00 0.00 177.39 178.88 1bw5 h MET 32 N 0.00 0.00 -1.18 1.96 2.86 -1.91 -3.03 114.93 113.62 1bw5 h MET 32 Ca 0.00 0.00 0.36 0.00 -2.06 0.00 0.00 59.70 58.00 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 0.08 0.76 -0.22 1.06 0.00 0.00 176.91 178.60 1bw5 h LYS 33 N 0.00 0.22 0.18 1.72 3.64 -1.29 -0.59 116.57 120.45 1bw5 h LYS 33 Ca -0.00 -0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.36 1bw5 h LYS 33 Cb 0.21 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1bw5 h LYS 33 CO 0.01 0.14 -0.09 1.49 -2.27 0.00 0.00 179.45 178.74 1bw5 h GLU 34 N 0.22 -0.23 -0.25 1.90 4.81 -1.65 -3.25 114.58 116.13 1bw5 h GLU 34 Ca 0.71 0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.98 1bw5 h GLU 34 Cb 2.08 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.50 1bw5 h GLU 34 CO -0.36 -0.16 0.17 -0.56 -0.73 0.00 0.00 179.01 177.37 1bw5 h GLN 35 N -0.29 0.22 -0.78 1.92 3.07 -1.66 -2.73 115.11 114.86 1bw5 h GLN 35 Ca -0.02 -0.01 0.19 0.00 0.09 0.00 0.00 58.65 58.89 1bw5 h GLN 35 Cb 0.19 -0.05 -0.13 0.00 0.08 0.00 0.00 27.48 27.56 1bw5 h GLN 35 CO 0.04 0.14 0.08 -0.07 0.09 0.00 0.00 178.83 179.12 1bw5 h LEU 36 N 0.22 -0.22 -0.76 0.06 -0.00 -1.15 0.48 115.31 113.95 1bw5 h LEU 36 Ca 0.10 0.19 0.08 0.00 -0.00 0.00 0.00 57.88 58.25 1bw5 h LEU 36 Cb 0.14 0.31 -0.07 0.00 -0.00 0.00 0.00 40.66 41.04 1bw5 h LEU 36 CO -0.02 -0.16 0.42 0.58 -0.00 0.00 0.00 178.44 179.27 1bw5 h VAL 37 N 0.15 0.92 -0.05 1.22 2.07 -1.55 0.07 116.25 119.08 1bw5 h VAL 37 Ca 0.45 -0.25 0.01 0.00 0.82 0.00 0.00 66.70 67.73 1bw5 h VAL 37 Cb 0.82 0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1bw5 h VAL 37 CO -0.64 0.13 0.06 -0.08 0.02 0.00 0.00 177.57 177.06 1bw5 h GLU 38 N 0.74 0.00 0.33 1.57 4.57 -0.16 1.01 114.58 122.64 1bw5 h GLU 38 Ca 0.36 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.52 1bw5 h GLU 38 Cb 0.30 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.89 1bw5 h GLU 38 CO -0.23 0.00 -0.16 1.98 -1.18 0.00 0.00 179.01 179.43 1bw5 h MET 39 N 0.00 -0.42 -0.01 1.92 4.05 -0.59 -3.37 114.93 116.51 1bw5 h MET 39 Ca 0.02 0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 1bw5 h MET 39 Cb 0.15 0.10 0.00 0.00 -0.80 0.00 0.00 31.60 31.04 1bw5 h MET 39 CO -0.00 -0.10 -0.22 -2.37 0.23 0.00 0.00 176.91 174.45 1bw5 n THR 40 N -5.10 0.00 -1.26 -0.77 5.66 -1.13 -4.97 114.28 106.71 1bw5 n THR 40 Ca -0.09 -0.39 -0.09 0.00 -3.05 0.00 0.00 64.05 60.43 1bw5 n THR 40 Cb 0.27 1.19 -0.04 0.00 -1.55 0.00 0.00 70.33 70.19 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 0.98 0.94 3.87 1.09 0.00 0.35 -4.97 105.19 107.45 1bw5 n GLY 41 Ca 0.06 -0.11 -0.30 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.04 2.82 0.79 0.99 2.34 -1.26 -5.03 118.68 117.29 1bw5 s LEU 42 Ca 0.00 1.12 -0.11 0.00 0.06 0.00 0.00 54.13 55.21 1bw5 s LEU 42 Cb 0.00 -3.87 0.07 0.00 -0.56 0.00 0.00 46.19 41.83 1bw5 s LEU 42 CO 0.00 -1.47 1.09 -0.94 -1.06 0.00 0.00 176.35 173.96 1bw5 s SER 43 N -4.32 4.37 0.50 1.48 1.04 -1.26 -4.84 113.70 110.68 1bw5 s SER 43 Ca 0.59 1.70 0.29 0.00 0.48 0.00 0.00 55.95 59.01 1bw5 s SER 43 Cb -0.11 -2.42 1.16 0.00 0.10 0.00 0.00 66.02 64.75 1bw5 s SER 43 CO 0.52 -2.10 1.91 1.55 0.98 0.00 0.00 173.24 176.10 1bw5 h PRO 44 N -1.17 0.00 0.05 4.02 0.13 -1.98 -3.22 132.00 129.82 1bw5 h PRO 44 Ca -0.45 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1bw5 h PRO 44 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1bw5 h PRO 44 CO 0.53 0.11 -0.06 -0.09 -0.23 0.00 0.00 178.00 178.25 1bw5 h ARG 45 N 0.00 -0.13 -0.16 0.86 2.43 -2.02 -2.46 114.38 112.90 1bw5 h ARG 45 Ca -0.00 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.21 1bw5 h ARG 45 Cb 0.62 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1bw5 h ARG 45 CO 0.01 -0.09 0.11 0.28 -1.51 0.00 0.00 179.97 178.77 1bw5 h VAL 46 N -0.14 0.96 0.70 0.20 2.07 -1.95 -2.96 116.25 115.14 1bw5 h VAL 46 Ca 0.01 -0.03 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1bw5 h VAL 46 Cb 0.14 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1bw5 h VAL 46 CO -0.03 0.01 -0.50 0.40 0.02 0.00 0.00 177.57 177.47 1bw5 h ILE 47 N 0.07 0.00 0.09 4.57 1.08 -1.55 -0.43 117.51 121.34 1bw5 h ILE 47 Ca 0.07 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.55 1bw5 h ILE 47 Cb 0.19 0.00 -0.04 0.00 -3.07 0.00 0.00 36.82 33.89 1bw5 h ILE 47 CO -0.01 0.00 -0.48 -0.09 -0.69 0.00 0.00 178.15 176.88 1bw5 h ARG 48 N -1.15 -0.64 -0.70 2.37 9.65 -1.51 -1.90 114.38 120.51 1bw5 h ARG 48 Ca -0.09 0.04 0.12 0.00 -1.10 0.00 0.00 59.98 58.95 1bw5 h ARG 48 Cb 0.95 0.15 -0.04 0.00 -1.39 0.00 0.00 29.97 29.63 1bw5 h ARG 48 CO 0.04 -0.43 0.46 -0.24 2.80 0.00 0.00 179.97 182.61 1bw5 h VAL 49 N -0.67 0.86 0.07 0.20 3.04 -1.55 -3.09 116.25 115.12 1bw5 h VAL 49 Ca -0.00 -0.16 -0.00 0.00 -1.01 0.00 0.00 66.70 65.53 1bw5 h VAL 49 Cb 0.68 0.36 -0.00 0.00 -2.01 0.00 0.00 31.29 30.31 1bw5 h VAL 49 CO -0.27 0.08 -0.06 -0.25 -1.01 0.00 0.00 177.57 176.06 1bw5 h TRP 50 N 0.46 -0.17 -0.32 3.17 7.01 -0.22 -2.01 115.95 123.87 1bw5 h TRP 50 Ca 0.33 0.00 0.07 0.00 2.11 0.00 0.00 58.89 61.40 1bw5 h TRP 50 Cb 0.66 0.07 -0.08 0.00 -2.10 0.00 0.00 29.16 27.70 1bw5 h TRP 50 CO -0.00 -0.08 -0.27 0.74 -2.79 0.00 0.00 178.44 176.04 1bw5 h PHE 51 N -0.13 -0.72 -0.22 2.65 0.04 -1.51 0.71 116.94 117.76 1bw5 h PHE 51 Ca -0.01 0.05 0.03 0.00 2.80 0.00 0.00 57.97 60.83 1bw5 h PHE 51 Cb 0.11 0.36 -0.04 0.00 2.20 0.00 0.00 35.95 38.58 1bw5 h PHE 51 CO -0.07 -0.34 -0.30 0.37 -0.60 0.00 0.00 178.31 177.37 1bw5 h GLN 52 N -0.24 -0.21 -0.95 1.51 4.15 -1.52 -0.30 115.11 117.56 1bw5 h GLN 52 Ca 0.16 0.01 0.15 0.00 0.77 0.00 0.00 58.65 59.74 1bw5 h GLN 52 Cb 0.49 0.05 -0.09 0.00 0.21 0.00 0.00 27.48 28.13 1bw5 h GLN 52 CO -0.45 -0.14 0.56 -0.91 -1.93 0.00 0.00 178.83 175.95 1bw5 h ASN 53 N -0.22 0.74 -1.05 -0.69 2.35 -0.99 -2.16 115.58 113.57 1bw5 h ASN 53 Ca 0.04 0.08 0.30 0.00 -0.55 0.00 0.00 56.30 56.17 1bw5 h ASN 53 Cb 0.32 -0.06 -0.13 0.00 0.05 0.00 0.00 38.32 38.51 1bw5 h ASN 53 CO -0.32 0.33 0.63 0.50 -1.65 0.00 0.00 177.43 176.92 1bw5 h LYS 54 N 0.79 0.37 0.18 0.81 1.63 0.97 -1.88 116.57 119.44 1bw5 h LYS 54 Ca 0.51 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 60.30 1bw5 h LYS 54 Cb 0.67 -0.08 -0.04 0.00 -0.60 0.00 0.00 32.23 32.18 1bw5 h LYS 54 CO -0.33 0.24 -0.49 -0.09 -3.45 0.00 0.00 179.45 175.33 1bw5 h ARG 55 N 0.38 -0.73 -0.02 1.90 9.65 -1.22 0.30 114.38 124.64 1bw5 h ARG 55 Ca 0.69 0.05 0.01 0.00 -1.10 0.00 0.00 59.98 59.63 1bw5 h ARG 55 Cb 1.63 0.17 -0.01 0.00 -1.39 0.00 0.00 29.97 30.37 1bw5 h ARG 55 CO -0.48 -0.49 -0.01 0.00 2.80 0.00 0.00 179.97 181.78 1bw5 h LYS 57 N -0.01 0.66 -5.72 0.00 1.57 -1.27 -3.40 116.57 108.40 1bw5 h LYS 57 Ca 0.01 -0.04 -0.50 0.00 -1.87 0.00 0.00 60.65 58.26 1bw5 h LYS 57 Cb 0.03 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.20 1bw5 h LYS 57 CO -0.03 0.44 1.59 0.34 -0.57 0.00 0.00 179.45 181.22 1bw5 s ASP 58 N -6.44 4.72 -0.59 0.86 2.15 0.10 -4.86 116.67 112.60 1bw5 s ASP 58 Ca -0.09 1.29 -0.26 0.00 0.43 0.00 0.00 52.55 53.91 1bw5 s ASP 58 Cb 0.18 -2.50 -0.03 0.00 -0.30 0.00 0.00 42.92 40.26 1bw5 s ASP 58 CO 0.75 -2.63 2.00 -0.54 -0.17 0.00 0.00 175.17 174.59 1bw5 s LYS 59 N 7.73 2.48 0.50 4.34 1.02 -1.26 -4.69 119.74 129.86 1bw5 s LYS 59 Ca 0.98 0.78 0.00 0.00 0.02 0.00 0.00 55.97 57.75 1bw5 s LYS 59 Cb -0.21 -4.46 0.00 0.00 -0.52 0.00 0.00 37.83 32.64 1bw5 s LYS 59 CO 0.28 -2.91 0.00 1.63 -0.92 0.00 0.00 175.35 173.44 1bw5 n LYS 60 N 9.13 0.00 -2.33 1.68 5.02 -1.26 -4.84 118.16 125.56 1bw5 n LYS 60 Ca 0.25 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 1bw5 n LYS 60 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 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 -5.03 0.00 1.97 0.63 -1.26 -5.07 116.66 107.90 1bw5 n ARG 61 Ca 0.00 3.63 0.00 0.00 -0.92 0.00 0.00 57.85 60.56 1bw5 n ARG 61 Cb 0.00 -4.54 0.00 0.00 0.45 0.00 0.00 32.46 28.37 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 1.87 0.54 -4.72 6.15 2.88 -1.26 -5.13 113.62 113.96 1bw5 n SER 62 Ca 0.00 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.12 1bw5 n SER 62 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 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 -0.83 4.64 0.00 2.46 -1.09 -1.26 -4.87 121.20 120.25 1bw5 s ILE 63 Ca 0.00 1.97 0.00 0.00 -2.23 0.00 0.00 60.65 60.39 1bw5 s ILE 63 Cb 0.00 -4.26 0.00 0.00 -1.58 0.00 0.00 42.46 36.62 1bw5 s ILE 63 CO 0.00 0.19 0.23 1.15 -1.23 0.00 0.00 174.94 175.28 1bw5 n MET 64 N 3.61 0.00 -2.89 2.79 0.00 -1.26 -5.09 117.12 114.29 1bw5 n MET 64 Ca 0.05 -0.23 -0.01 0.00 0.00 0.00 0.00 57.70 57.51 1bw5 n MET 64 Cb 0.50 -0.26 0.00 0.00 0.00 0.00 0.00 33.22 33.46 1bw5 n MET 64 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 175.97 175.85 1bw5 n MET 65 N 0.00 -2.45 0.00 3.17 1.56 -1.26 -5.32 117.12 112.82 1bw5 n MET 65 Ca 0.00 2.13 0.16 0.00 -0.27 0.00 0.00 57.70 59.72 1bw5 n MET 65 Cb 0.47 -4.00 0.91 0.00 2.15 0.00 0.00 33.22 32.75 1bw5 n MET 65 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41