#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 -2.51 -0.05 0.03 4.81 -1.26 -4.90 118.16 114.28 1bw5 n LYS 2 Ca 0.00 0.56 -0.00 0.00 -0.87 0.00 0.00 58.31 58.00 1bw5 n LYS 2 Cb 0.00 -4.71 -0.13 0.00 0.02 0.00 0.00 35.03 30.20 1bw5 n LYS 2 CO 0.00 0.00 0.00 2.41 1.17 0.00 0.00 177.40 180.98 1bw5 n THR 3 N -4.06 0.61 -3.25 3.15 -1.04 -1.26 -5.06 114.28 103.37 1bw5 n THR 3 Ca -0.16 -0.56 -0.15 0.00 -2.04 0.00 0.00 64.05 61.13 1bw5 n THR 3 Cb 0.63 -0.26 0.02 0.00 -1.82 0.00 0.00 70.33 68.89 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 -2.38 -4.17 -0.90 12.58 -1.04 -1.26 -4.86 114.28 112.24 1bw5 n THR 4 Ca -0.16 0.49 -0.32 0.00 -2.04 0.00 0.00 64.05 62.02 1bw5 n THR 4 Cb 0.77 -3.82 0.14 0.00 -1.82 0.00 0.00 70.33 65.61 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 -1.69 1.38 -0.13 -2.82 3.00 -1.26 -5.00 118.95 112.42 1bw5 s ARG 5 Ca 0.16 1.53 -0.08 0.00 0.00 0.00 0.00 55.73 57.34 1bw5 s ARG 5 Cb -0.02 -1.77 -0.04 0.00 0.00 0.00 0.00 34.95 33.12 1bw5 s ARG 5 CO 0.44 -2.36 0.15 0.54 0.00 0.00 0.00 175.30 174.07 1bw5 s VAL 6 N -2.58 5.47 -0.98 3.52 0.11 -1.26 -4.57 120.40 120.11 1bw5 s VAL 6 Ca 0.67 0.23 -0.11 0.00 -2.93 0.00 0.00 61.98 59.85 1bw5 s VAL 6 Cb -0.23 -3.43 -0.01 0.00 -1.53 0.00 0.00 36.38 31.17 1bw5 s VAL 6 CO 0.56 0.57 0.76 0.54 -3.33 0.00 0.00 175.10 174.20 1bw5 n ARG 7 N 2.35 -1.44 -2.87 1.54 1.74 -1.26 -4.93 116.66 111.79 1bw5 n ARG 7 Ca -0.19 0.81 -0.40 0.00 -0.77 0.00 0.00 57.85 57.30 1bw5 n ARG 7 Cb 0.54 -4.48 -0.05 0.00 -1.02 0.00 0.00 32.46 27.45 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1bw5 s THR 8 N -3.27 4.58 0.35 0.55 2.01 -1.26 -5.06 115.64 113.54 1bw5 s THR 8 Ca 0.29 1.83 0.02 0.00 0.31 0.00 0.00 61.69 64.13 1bw5 s THR 8 Cb -0.09 -4.21 0.07 0.00 0.01 0.00 0.00 72.50 68.28 1bw5 s THR 8 CO 0.82 0.37 0.48 0.52 -0.69 0.00 0.00 174.62 176.12 1bw5 n VAL 9 N 2.63 0.00 -3.66 3.82 0.31 -1.26 -5.12 118.33 115.05 1bw5 n VAL 9 Ca -0.01 -0.87 -0.07 0.00 -0.01 0.00 0.00 64.34 63.38 1bw5 n VAL 9 Cb 0.50 -1.01 -0.08 0.00 -0.91 0.00 0.00 33.84 32.33 1bw5 n VAL 9 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1bw5 s LEU 10 N 0.00 -0.72 0.00 7.52 1.98 -1.26 -5.04 118.68 121.15 1bw5 s LEU 10 Ca 0.33 1.14 0.00 0.00 -2.89 0.00 0.00 54.13 52.71 1bw5 s LEU 10 Cb -0.02 1.61 0.00 0.00 0.66 0.00 0.00 46.19 48.44 1bw5 s LEU 10 CO 0.22 -0.23 0.00 -0.46 -1.89 0.00 0.00 176.35 173.99 1bw5 n ASN 11 N 5.27 0.00 0.01 3.68 0.23 -1.26 -4.97 115.26 118.21 1bw5 n ASN 11 Ca -0.11 -0.40 0.21 0.00 -0.53 0.00 0.00 54.58 53.75 1bw5 n ASN 11 Cb 0.50 0.00 0.53 0.00 -2.08 0.00 0.00 39.78 38.73 1bw5 n ASN 11 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1bw5 h GLU 12 N 0.00 0.00 0.00 -3.83 4.81 -2.02 -1.01 114.58 112.53 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 -3.27 0.00 0.03 1.92 4.81 -1.26 -3.22 118.16 117.17 1bw5 n LYS 13 Ca 0.13 0.46 0.01 0.00 -0.87 0.00 0.00 58.31 58.03 1bw5 n LYS 13 Cb 1.04 -1.13 0.34 0.00 0.02 0.00 0.00 35.03 35.30 1bw5 n LYS 13 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1bw5 h GLN 14 N 0.00 0.45 0.34 1.64 4.20 -1.90 -3.14 115.11 116.70 1bw5 h GLN 14 Ca 0.00 -0.09 -0.00 0.00 0.06 0.00 0.00 58.65 58.62 1bw5 h GLN 14 Cb 0.00 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.68 1bw5 h GLN 14 CO 0.00 0.48 -0.41 -0.07 -0.67 0.00 0.00 178.83 178.16 1bw5 h LEU 15 N 0.43 -1.15 -0.84 1.46 -0.00 -1.34 -2.22 115.31 111.66 1bw5 h LEU 15 Ca 0.10 0.10 0.20 0.00 -0.00 0.00 0.00 57.88 58.28 1bw5 h LEU 15 Cb 0.29 0.40 -0.15 0.00 -0.00 0.00 0.00 40.66 41.20 1bw5 h LEU 15 CO 0.01 -0.55 0.04 -0.74 -0.00 0.00 0.00 178.44 177.20 1bw5 h HIS 16 N -0.80 -0.01 0.28 1.13 2.76 -1.51 0.36 115.15 117.37 1bw5 h HIS 16 Ca -0.02 0.06 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 1bw5 h HIS 16 Cb 0.73 0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.83 1bw5 h HIS 16 CO -0.26 -0.29 -0.14 1.15 -1.30 0.00 0.00 177.93 177.10 1bw5 h THR 17 N 0.10 0.00 -1.03 6.26 2.02 -1.50 -2.97 112.91 115.78 1bw5 h THR 17 Ca 0.48 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.93 1bw5 h THR 17 Cb 0.90 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.23 1bw5 h THR 17 CO -0.74 0.00 0.68 -0.07 0.37 0.00 0.00 175.52 175.77 1bw5 h LEU 18 N -0.38 0.35 -1.42 2.58 3.38 -0.90 -1.37 115.31 117.55 1bw5 h LEU 18 Ca -0.04 0.06 0.39 0.00 0.09 0.00 0.00 57.88 58.38 1bw5 h LEU 18 Cb 0.30 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 40.93 1bw5 h LEU 18 CO 0.06 0.08 0.81 -0.09 0.09 0.00 0.00 178.44 179.39 1bw5 h ARG 19 N 0.31 0.16 -0.18 1.13 1.12 -0.77 0.40 114.38 116.55 1bw5 h ARG 19 Ca 0.56 -0.01 -0.11 0.00 -1.11 0.00 0.00 59.98 59.32 1bw5 h ARG 19 Cb 1.58 -0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 31.50 1bw5 h ARG 19 CO -0.22 0.10 -0.35 1.79 -3.11 0.00 0.00 179.97 178.19 1bw5 h THR 20 N 0.16 1.29 0.47 0.20 1.35 -1.35 -3.25 112.91 111.79 1bw5 h THR 20 Ca 0.75 -1.42 -0.02 0.00 -0.55 0.00 0.00 66.41 65.17 1bw5 h THR 20 Cb 2.30 1.53 0.00 0.00 -1.73 0.00 0.00 68.15 70.25 1bw5 h THR 20 CO -0.37 0.44 -0.23 0.00 -0.25 0.00 0.00 175.52 175.10 1bw5 h TYR 22 N -0.64 0.32 0.00 0.00 3.20 -1.58 0.44 116.97 118.71 1bw5 h TYR 22 Ca -0.06 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1bw5 h TYR 22 Cb 0.49 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.75 1bw5 h TYR 22 CO -0.05 -0.12 0.10 0.00 -1.64 0.00 0.00 178.16 176.45 1bw5 h ALA 23 N 1.68 1.07 0.05 1.82 0.00 -1.58 -1.64 119.26 120.65 1bw5 h ALA 23 Ca 0.47 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 55.04 1bw5 h ALA 23 Cb 0.87 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.61 1bw5 h ALA 23 CO -0.57 -0.07 -2.01 0.00 0.00 0.00 0.00 179.25 176.60 1bw5 n ALA 24 N -1.74 1.27 -3.52 0.00 0.00 0.15 -5.00 120.51 111.67 1bw5 n ALA 24 Ca -0.01 -0.82 -0.16 0.00 0.00 0.00 0.00 53.44 52.44 1bw5 n ALA 24 Cb 0.13 -0.60 -0.05 0.00 0.00 0.00 0.00 19.45 18.93 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 -6.41 -0.61 0.03 0.00 2.20 -0.62 -5.02 114.94 104.51 1bw5 s ASN 25 Ca -0.16 0.61 0.27 0.00 -0.94 0.00 0.00 52.86 52.64 1bw5 s ASN 25 Cb 0.07 0.52 1.12 0.00 -2.00 0.00 0.00 41.25 40.96 1bw5 s ASN 25 CO 0.78 -0.61 1.86 -0.81 -2.94 0.00 0.00 177.10 175.38 1bw5 n PRO 26 N 0.76 0.04 -3.70 3.55 -0.04 -1.26 -4.38 135.00 129.97 1bw5 n PRO 26 Ca -0.18 0.06 -0.10 0.00 -0.04 0.00 0.00 63.50 63.24 1bw5 n PRO 26 Cb 0.58 -1.55 -0.11 0.00 -0.04 0.00 0.00 33.50 32.38 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 -3.02 0.39 0.43 0.54 6.06 -1.26 -5.10 118.95 116.99 1bw5 s ARG 27 Ca 0.13 0.79 -0.07 0.00 -2.50 0.00 0.00 55.73 54.07 1bw5 s ARG 27 Cb 0.17 -0.02 0.10 0.00 0.06 0.00 0.00 34.95 35.26 1bw5 s ARG 27 CO 0.51 -0.16 0.55 -0.35 -2.50 0.00 0.00 175.30 173.35 1bw5 n PRO 28 N 4.27 -0.76 -3.83 5.12 -0.04 -1.26 -5.11 135.00 133.39 1bw5 n PRO 28 Ca -0.23 -0.85 -0.03 0.00 -0.04 0.00 0.00 63.50 62.34 1bw5 n PRO 28 Cb 0.55 -0.60 0.01 0.00 -0.04 0.00 0.00 33.50 33.42 1bw5 n PRO 28 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 1bw5 s ASP 29 N -3.02 -0.05 0.52 3.54 1.47 -1.26 -5.00 116.67 112.85 1bw5 s ASP 29 Ca 0.32 -0.54 0.37 0.00 1.18 0.00 0.00 52.55 53.88 1bw5 s ASP 29 Cb -0.01 0.46 1.54 0.00 -0.34 0.00 0.00 42.92 44.57 1bw5 s ASP 29 CO 0.23 -0.90 1.72 0.00 0.68 0.00 0.00 175.17 176.89 1bw5 h ALA 30 N 2.00 3.17 -3.00 2.11 0.00 -1.99 0.66 119.26 122.21 1bw5 h ALA 30 Ca -0.27 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1bw5 h ALA 30 Cb 1.22 0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1bw5 h ALA 30 CO 0.32 -1.61 0.00 1.28 0.00 0.00 0.00 179.25 179.24 1bw5 n LEU 31 N -4.24 0.83 0.14 0.00 7.99 -1.26 -3.74 117.00 116.72 1bw5 n LEU 31 Ca 0.32 0.31 0.17 0.00 -0.01 0.00 0.00 56.01 56.81 1bw5 n LEU 31 Cb 1.43 0.00 0.76 0.00 -0.11 0.00 0.00 43.42 45.50 1bw5 n LEU 31 CO 0.37 0.00 1.15 -0.03 -1.51 0.00 0.00 177.39 177.37 1bw5 h MET 32 N 0.00 0.00 -0.88 3.23 4.05 -1.93 -2.60 114.93 116.80 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 -0.14 0.00 -0.80 0.00 0.00 31.60 30.66 1bw5 h MET 32 CO 0.00 0.00 0.28 0.87 0.23 0.00 0.00 176.91 178.29 1bw5 h LYS 33 N 0.00 0.25 0.55 0.39 1.57 -0.95 0.72 116.57 119.09 1bw5 h LYS 33 Ca 0.13 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1bw5 h LYS 33 Cb 0.64 -0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.90 1bw5 h LYS 33 CO -0.00 0.16 -0.26 1.49 -0.57 0.00 0.00 179.45 180.27 1bw5 h GLU 34 N 0.26 -0.71 -0.72 3.15 4.22 -1.56 -2.95 114.58 116.26 1bw5 h GLU 34 Ca 0.55 0.05 -0.02 0.00 0.08 0.00 0.00 59.36 60.02 1bw5 h GLU 34 Cb 1.11 0.16 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 1bw5 h GLU 34 CO -0.62 -0.47 0.38 1.96 -2.18 0.00 0.00 179.01 178.08 1bw5 h GLN 35 N -0.74 1.02 -1.18 1.92 7.50 -1.47 -2.68 115.11 119.48 1bw5 h GLN 35 Ca -0.08 -0.13 0.35 0.00 0.50 0.00 0.00 58.65 59.29 1bw5 h GLN 35 Cb 0.57 -0.19 -0.11 0.00 0.05 0.00 0.00 27.48 27.80 1bw5 h GLN 35 CO 0.12 0.77 0.76 -0.07 -1.50 0.00 0.00 178.83 178.92 1bw5 h LEU 36 N 1.00 0.33 -0.11 1.46 -0.00 -0.73 0.69 115.31 117.96 1bw5 h LEU 36 Ca 0.25 0.11 -0.01 0.00 -0.00 0.00 0.00 57.88 58.23 1bw5 h LEU 36 Cb 0.07 0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 40.79 1bw5 h LEU 36 CO -0.04 -0.05 0.03 0.58 -0.00 0.00 0.00 178.44 178.96 1bw5 h VAL 37 N 0.23 1.19 -0.23 1.22 2.07 -1.36 -2.99 116.25 116.37 1bw5 h VAL 37 Ca 0.70 -0.58 -0.03 0.00 0.82 0.00 0.00 66.70 67.62 1bw5 h VAL 37 Cb 2.04 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 1bw5 h VAL 37 CO -0.35 0.17 0.03 -0.08 0.02 0.00 0.00 177.57 177.36 1bw5 h GLU 38 N -0.03 0.33 -0.22 1.57 4.81 -0.98 1.07 114.58 121.14 1bw5 h GLU 38 Ca 0.03 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1bw5 h GLU 38 Cb 0.24 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 1bw5 h GLU 38 CO -0.00 0.34 0.13 0.52 -0.73 0.00 0.00 179.01 179.26 1bw5 h MET 39 N 0.33 0.30 0.00 1.92 2.86 -1.28 -3.30 114.93 115.76 1bw5 h MET 39 Ca 0.08 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 1bw5 h MET 39 Cb 0.18 -0.06 0.00 0.00 0.06 0.00 0.00 31.60 31.78 1bw5 h MET 39 CO 0.00 0.26 -1.35 -2.37 1.06 0.00 0.00 176.91 174.51 1bw5 n THR 40 N -4.89 0.00 -0.54 2.22 5.66 -1.17 -4.98 114.28 110.58 1bw5 n THR 40 Ca -0.03 -0.28 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 1bw5 n THR 40 Cb 0.06 0.41 0.00 0.00 -1.55 0.00 0.00 70.33 69.25 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 1.61 1.64 3.87 1.09 0.00 0.37 -5.02 105.19 108.75 1bw5 n GLY 41 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 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 3.04 0.84 0.99 2.34 -1.24 -4.85 118.68 119.79 1bw5 s LEU 42 Ca 0.00 1.27 -0.11 0.00 0.06 0.00 0.00 54.13 55.35 1bw5 s LEU 42 Cb 0.00 -4.17 0.10 0.00 -0.56 0.00 0.00 46.19 41.55 1bw5 s LEU 42 CO 0.00 -1.16 1.09 -0.94 -1.06 0.00 0.00 176.35 174.28 1bw5 s SER 43 N -4.25 4.01 0.53 1.48 1.04 -1.26 -4.71 113.70 110.54 1bw5 s SER 43 Ca 0.57 1.43 0.32 0.00 0.48 0.00 0.00 55.95 58.75 1bw5 s SER 43 Cb -0.11 -2.14 1.29 0.00 0.10 0.00 0.00 66.02 65.16 1bw5 s SER 43 CO 0.53 -2.29 1.95 1.55 0.98 0.00 0.00 173.24 175.96 1bw5 h PRO 44 N -1.31 0.00 -0.05 4.02 0.13 -1.96 -3.27 132.00 129.57 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 1.27 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.36 1bw5 h PRO 44 CO 0.56 0.00 -0.23 -0.09 -0.23 0.00 0.00 178.00 178.01 1bw5 h ARG 45 N 0.00 -0.33 -0.20 0.86 2.43 -2.03 -2.20 114.38 112.92 1bw5 h ARG 45 Ca 0.00 0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 1bw5 h ARG 45 Cb 0.53 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1bw5 h ARG 45 CO 0.00 -0.22 -0.16 0.28 -1.51 0.00 0.00 179.97 178.36 1bw5 h VAL 46 N -0.34 1.22 -0.31 0.20 2.07 -1.96 -3.17 116.25 113.96 1bw5 h VAL 46 Ca 0.08 -0.97 0.07 0.00 0.82 0.00 0.00 66.70 66.69 1bw5 h VAL 46 Cb 0.44 1.25 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 1bw5 h VAL 46 CO -0.24 0.31 -0.17 0.40 0.02 0.00 0.00 177.57 177.88 1bw5 h ILE 47 N 0.31 0.49 0.63 4.57 1.08 -1.49 -2.13 117.51 120.97 1bw5 h ILE 47 Ca 0.06 0.00 -0.02 0.00 -0.39 0.00 0.00 64.86 64.50 1bw5 h ILE 47 Cb 0.48 0.49 -0.01 0.00 -3.07 0.00 0.00 36.82 34.70 1bw5 h ILE 47 CO 0.03 0.00 -0.49 -0.09 -0.69 0.00 0.00 178.15 176.91 1bw5 h ARG 48 N -0.13 -1.05 -0.14 2.37 2.43 -1.51 -2.77 114.38 113.58 1bw5 h ARG 48 Ca 0.16 0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.44 1bw5 h ARG 48 Cb 0.38 0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 30.16 1bw5 h ARG 48 CO -0.39 -0.70 0.12 -0.24 -1.51 0.00 0.00 179.97 177.25 1bw5 h VAL 49 N -1.09 0.75 0.34 0.20 3.04 -1.65 -3.05 116.25 114.80 1bw5 h VAL 49 Ca -0.08 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.60 1bw5 h VAL 49 Cb 0.91 0.91 -0.01 0.00 -2.01 0.00 0.00 31.29 31.09 1bw5 h VAL 49 CO 0.02 0.00 -0.32 -0.25 -1.01 0.00 0.00 177.57 176.00 1bw5 h TRP 50 N 0.00 -0.89 -1.02 3.17 7.01 -1.08 -2.33 115.95 120.80 1bw5 h TRP 50 Ca 0.07 0.00 0.25 0.00 2.11 0.00 0.00 58.89 61.32 1bw5 h TRP 50 Cb 0.30 0.34 -0.10 0.00 -2.10 0.00 0.00 29.16 27.60 1bw5 h TRP 50 CO 0.00 -0.43 0.64 0.74 -2.79 0.00 0.00 178.44 176.60 1bw5 h PHE 51 N -0.66 0.80 0.11 2.65 0.04 -1.57 -2.47 116.94 115.85 1bw5 h PHE 51 Ca -0.04 0.03 0.01 0.00 2.80 0.00 0.00 57.97 60.76 1bw5 h PHE 51 Cb 0.56 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.45 1bw5 h PHE 51 CO -0.17 0.08 -0.36 0.37 -0.60 0.00 0.00 178.31 177.64 1bw5 h GLN 52 N 0.49 -0.51 -0.78 1.51 5.75 -1.42 -1.67 115.11 118.48 1bw5 h GLN 52 Ca 0.60 0.03 0.15 0.00 -0.15 0.00 0.00 58.65 59.29 1bw5 h GLN 52 Cb 1.35 0.12 -0.05 0.00 1.07 0.00 0.00 27.48 29.96 1bw5 h GLN 52 CO -0.35 -0.34 0.52 -0.91 -2.65 0.00 0.00 178.83 175.09 1bw5 h ASN 53 N -0.53 0.43 -1.08 -0.69 2.35 -1.32 -2.09 115.58 112.64 1bw5 h ASN 53 Ca -0.01 0.03 0.31 0.00 -0.55 0.00 0.00 56.30 56.07 1bw5 h ASN 53 Cb 0.52 -0.06 -0.12 0.00 0.05 0.00 0.00 38.32 38.72 1bw5 h ASN 53 CO -0.18 0.22 0.68 0.11 -1.65 0.00 0.00 177.43 176.61 1bw5 h LYS 54 N 0.45 0.33 -0.55 0.81 1.79 -1.06 0.41 116.57 118.76 1bw5 h LYS 54 Ca 0.38 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.89 1bw5 h LYS 54 Cb 0.84 -0.08 -0.05 0.00 -1.58 0.00 0.00 32.23 31.37 1bw5 h LYS 54 CO -0.13 0.22 0.27 -0.09 -1.08 0.00 0.00 179.45 178.64 1bw5 h ARG 55 N 0.34 0.51 0.71 3.15 9.65 -1.37 0.20 114.38 127.57 1bw5 h ARG 55 Ca 0.68 -0.03 -0.03 0.00 -1.10 0.00 0.00 59.98 59.49 1bw5 h ARG 55 Cb 1.72 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 30.19 1bw5 h ARG 55 CO -0.41 0.33 -0.36 0.00 2.80 0.00 0.00 179.97 182.34 1bw5 h LYS 57 N -0.98 1.09 0.00 0.00 1.57 -1.44 -2.24 116.57 114.57 1bw5 h LYS 57 Ca -0.10 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.51 1bw5 h LYS 57 Cb 0.76 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1bw5 h LYS 57 CO 0.15 0.80 -0.28 -0.44 -0.57 0.00 0.00 179.45 179.11 1bw5 h ASP 58 N 1.09 0.00 0.00 0.86 5.19 -0.44 -3.47 116.42 119.65 1bw5 h ASP 58 Ca 0.28 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.69 1bw5 h ASP 58 Cb 0.02 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1bw5 h ASP 58 CO -0.05 0.28 0.00 1.17 -3.12 0.00 0.00 179.24 177.52 1bw5 n LYS 59 N -3.89 0.00 -0.01 3.56 3.00 0.76 -4.14 118.16 117.44 1bw5 n LYS 59 Ca -0.02 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.28 1bw5 n LYS 59 Cb 0.36 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.38 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 7.72 0.08 -3.01 1.64 5.02 -1.26 -5.01 118.16 123.35 1bw5 n LYS 60 Ca 0.00 0.24 -0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1bw5 n LYS 60 Cb 0.00 -0.86 -0.00 0.00 -0.02 0.00 0.00 35.03 34.15 1bw5 n LYS 60 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1bw5 n ARG 61 N -2.70 -1.60 -0.05 1.97 1.74 -1.26 -4.87 116.66 109.89 1bw5 n ARG 61 Ca -0.01 1.58 0.12 0.00 -0.77 0.00 0.00 57.85 58.77 1bw5 n ARG 61 Cb 0.05 -2.48 0.37 0.00 -1.02 0.00 0.00 32.46 29.38 1bw5 n ARG 61 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1bw5 n SER 62 N 1.30 2.00 -4.53 0.55 3.41 -1.26 -4.81 113.62 110.29 1bw5 n SER 62 Ca -0.03 -1.70 -0.42 0.00 -0.26 0.00 0.00 58.87 56.46 1bw5 n SER 62 Cb 0.31 -0.07 -0.08 0.00 -0.26 0.00 0.00 64.21 64.11 1bw5 n SER 62 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1bw5 s ILE 63 N -1.87 5.02 -0.00 -1.33 1.01 -1.26 -4.85 121.20 117.91 1bw5 s ILE 63 Ca 0.35 0.09 0.00 0.00 0.00 0.00 0.00 60.65 61.09 1bw5 s ILE 63 Cb 0.20 -4.01 -0.00 0.00 0.01 0.00 0.00 42.46 38.66 1bw5 s ILE 63 CO 0.30 -0.32 -0.00 1.15 0.00 0.00 0.00 174.94 176.07 1bw5 n MET 64 N 5.76 1.80 -1.68 2.79 0.00 -1.26 -5.00 117.12 119.53 1bw5 n MET 64 Ca -0.05 0.00 -0.47 0.00 0.00 0.00 0.00 57.70 57.17 1bw5 n MET 64 Cb 0.48 -1.00 -0.04 0.00 0.00 0.00 0.00 33.22 32.66 1bw5 n MET 64 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 1bw5 n MET 65 N -2.28 2.26 -0.27 3.17 2.81 -1.26 -5.32 117.12 116.23 1bw5 n MET 65 Ca -0.00 0.83 0.00 0.00 -1.81 0.00 0.00 57.70 56.71 1bw5 n MET 65 Cb 0.50 -2.68 0.00 0.00 -0.71 0.00 0.00 33.22 30.34 1bw5 n MET 65 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11