#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 0.00 3.17 4.81 -1.26 -4.77 118.16 120.11 1bw5 n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1bw5 n LYS 2 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 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 0.00 0.00 -2.95 3.15 -1.04 -1.26 -4.81 114.28 107.37 1bw5 n THR 3 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1bw5 n THR 3 Cb 0.00 0.00 0.01 0.00 -1.82 0.00 0.00 70.33 68.52 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 0.00 -9.28 -0.80 12.58 -1.04 -1.26 -4.95 114.28 109.53 1bw5 n THR 4 Ca 0.00 1.05 -0.29 0.00 -2.04 0.00 0.00 64.05 62.77 1bw5 n THR 4 Cb 0.00 -6.11 0.24 0.00 -1.82 0.00 0.00 70.33 62.64 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 -2.07 -1.30 -0.64 -2.82 0.52 -1.26 -4.99 118.95 106.39 1bw5 s ARG 5 Ca 0.16 0.29 0.03 0.00 -0.52 0.00 0.00 55.73 55.69 1bw5 s ARG 5 Cb -0.03 -1.55 0.16 0.00 0.52 0.00 0.00 34.95 34.04 1bw5 s ARG 5 CO 0.70 -3.84 0.43 0.54 0.02 0.00 0.00 175.30 173.15 1bw5 s VAL 6 N -2.69 3.04 -0.03 3.52 0.11 -1.26 -4.80 120.40 118.28 1bw5 s VAL 6 Ca 0.69 -3.71 0.05 0.00 -2.93 0.00 0.00 61.98 56.08 1bw5 s VAL 6 Cb -0.16 -3.02 0.08 0.00 -1.53 0.00 0.00 36.38 31.75 1bw5 s VAL 6 CO 0.59 -0.92 0.93 -1.14 -3.33 0.00 0.00 175.10 171.23 1bw5 n ARG 7 N 2.63 1.47 -1.88 1.54 0.63 -1.26 -5.07 116.66 114.72 1bw5 n ARG 7 Ca 0.13 -1.49 -0.30 0.00 -0.92 0.00 0.00 57.85 55.27 1bw5 n ARG 7 Cb 0.34 -0.95 0.17 0.00 0.45 0.00 0.00 32.46 32.47 1bw5 n ARG 7 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1bw5 s THR 8 N -1.13 1.98 0.00 5.15 -4.23 -1.26 -5.10 115.64 111.05 1bw5 s THR 8 Ca 0.08 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 1bw5 s THR 8 Cb 0.07 -2.97 0.00 0.00 1.34 0.00 0.00 72.50 70.94 1bw5 s THR 8 CO 0.01 0.00 0.00 1.33 -0.54 0.00 0.00 174.62 175.42 1bw5 n VAL 9 N -3.71 0.00 -3.41 2.29 0.24 -1.26 -5.15 118.33 107.33 1bw5 n VAL 9 Ca 0.13 0.00 -0.18 0.00 -2.04 0.00 0.00 64.34 62.26 1bw5 n VAL 9 Cb 0.60 0.00 -0.10 0.00 -1.47 0.00 0.00 33.84 32.87 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 0.00 -0.21 0.00 1.34 1.98 -1.26 -5.10 118.68 115.44 1bw5 s LEU 10 Ca 0.00 -0.70 0.02 0.00 -2.89 0.00 0.00 54.13 50.56 1bw5 s LEU 10 Cb 0.00 0.48 0.04 0.00 0.66 0.00 0.00 46.19 47.36 1bw5 s LEU 10 CO 0.00 -0.38 0.27 -0.46 -1.89 0.00 0.00 176.35 173.89 1bw5 n ASN 11 N 5.31 0.58 0.18 3.68 6.94 -1.26 -4.86 115.26 125.84 1bw5 n ASN 11 Ca -0.03 -1.44 0.18 0.00 -0.02 0.00 0.00 54.58 53.28 1bw5 n ASN 11 Cb 0.47 -0.16 0.81 0.00 -2.36 0.00 0.00 39.78 38.54 1bw5 n ASN 11 CO 0.00 0.00 0.00 1.05 -1.03 0.00 0.00 177.26 177.28 1bw5 h GLU 12 N 0.00 0.00 0.16 -3.83 -0.00 -2.01 -2.14 114.58 106.76 1bw5 h GLU 12 Ca -0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 59.36 59.26 1bw5 h GLU 12 Cb 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.14 1bw5 h GLU 12 CO 0.12 0.00 -0.08 -0.22 -0.00 0.00 0.00 179.01 178.83 1bw5 h LYS 13 N 0.00 -0.21 -0.55 1.06 3.11 -2.01 -2.93 116.57 115.03 1bw5 h LYS 13 Ca 0.11 0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.94 1bw5 h LYS 13 Cb 0.73 0.05 -0.03 0.00 -1.00 0.00 0.00 32.23 31.99 1bw5 h LYS 13 CO -0.00 -0.14 0.24 1.96 -2.81 0.00 0.00 179.45 178.70 1bw5 h GLN 14 N -0.34 0.78 0.29 1.90 7.50 -1.93 -3.13 115.11 120.19 1bw5 h GLN 14 Ca -0.02 -0.10 0.00 0.00 0.50 0.00 0.00 58.65 59.03 1bw5 h GLN 14 Cb 0.17 -0.15 -0.03 0.00 0.05 0.00 0.00 27.48 27.52 1bw5 h GLN 14 CO 0.04 0.62 -0.36 -0.07 -1.50 0.00 0.00 178.83 177.56 1bw5 h LEU 15 N 0.78 -1.00 -0.77 1.46 -0.00 -1.49 -2.45 115.31 111.85 1bw5 h LEU 15 Ca 0.19 0.09 0.16 0.00 -0.00 0.00 0.00 57.88 58.32 1bw5 h LEU 15 Cb 0.12 0.35 -0.10 0.00 -0.00 0.00 0.00 40.66 41.02 1bw5 h LEU 15 CO -0.02 -0.49 0.27 -0.74 -0.00 0.00 0.00 178.44 177.46 1bw5 h HIS 16 N -0.70 0.44 0.43 1.13 2.76 -1.45 -0.19 115.15 117.57 1bw5 h HIS 16 Ca -0.01 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 1bw5 h HIS 16 Cb 0.66 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.54 1bw5 h HIS 16 CO -0.24 -0.01 -0.25 1.15 -1.30 0.00 0.00 177.93 177.29 1bw5 h THR 17 N 0.37 0.00 -0.99 6.26 2.02 -1.51 -2.80 112.91 116.26 1bw5 h THR 17 Ca 0.43 0.00 0.27 0.00 0.77 0.00 0.00 66.41 67.88 1bw5 h THR 17 Cb 0.72 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.00 1bw5 h THR 17 CO -0.46 0.00 0.57 -0.07 0.37 0.00 0.00 175.52 175.93 1bw5 h LEU 18 N -0.63 0.59 -1.78 2.58 3.38 -1.04 0.33 115.31 118.74 1bw5 h LEU 18 Ca -0.06 0.16 0.37 0.00 0.09 0.00 0.00 57.88 58.44 1bw5 h LEU 18 Cb 0.50 0.08 -0.07 0.00 0.09 0.00 0.00 40.66 41.25 1bw5 h LEU 18 CO 0.07 0.01 0.88 0.03 0.09 0.00 0.00 178.44 179.53 1bw5 h ARG 19 N 0.48 0.10 -0.12 1.13 2.47 -0.76 0.89 114.38 118.57 1bw5 h ARG 19 Ca 0.67 -0.01 -0.17 0.00 -1.26 0.00 0.00 59.98 59.22 1bw5 h ARG 19 Cb 1.36 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 29.65 1bw5 h ARG 19 CO -0.53 0.06 -0.63 1.15 0.56 0.00 0.00 179.97 180.59 1bw5 h THR 20 N 0.10 1.36 0.90 2.04 2.02 -0.35 -3.19 112.91 115.78 1bw5 h THR 20 Ca 0.65 -1.96 -0.04 0.00 0.77 0.00 0.00 66.41 65.83 1bw5 h THR 20 Cb 2.33 1.95 0.01 0.00 -1.74 0.00 0.00 68.15 70.69 1bw5 h THR 20 CO -0.12 0.59 -0.46 0.00 0.37 0.00 0.00 175.52 175.90 1bw5 h TYR 22 N -1.25 0.75 -0.01 0.00 3.20 -1.63 0.63 116.97 118.65 1bw5 h TYR 22 Ca -0.12 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.78 1bw5 h TYR 22 Cb 0.97 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.02 1bw5 h TYR 22 CO -0.02 0.05 0.02 0.00 -1.64 0.00 0.00 178.16 176.57 1bw5 h ALA 23 N 1.65 1.34 0.06 1.82 0.00 -1.47 -2.80 119.26 119.87 1bw5 h ALA 23 Ca 0.62 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 55.18 1bw5 h ALA 23 Cb 1.49 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 1bw5 h ALA 23 CO -0.35 -0.03 -1.97 0.00 0.00 0.00 0.00 179.25 176.90 1bw5 n ALA 24 N -2.22 0.99 -3.66 0.00 0.00 0.21 -4.97 120.51 110.87 1bw5 n ALA 24 Ca -0.03 -0.71 -0.07 0.00 0.00 0.00 0.00 53.44 52.63 1bw5 n ALA 24 Cb 0.10 -0.46 -0.08 0.00 0.00 0.00 0.00 19.45 19.01 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 -6.95 -0.80 -0.00 0.00 3.84 -0.91 -5.02 114.94 105.10 1bw5 s ASN 25 Ca -0.28 1.32 0.00 0.00 0.21 0.00 0.00 52.86 54.11 1bw5 s ASN 25 Cb 0.08 1.35 0.01 0.00 -0.55 0.00 0.00 41.25 42.14 1bw5 s ASN 25 CO 0.67 -0.22 0.81 -0.81 -2.79 0.00 0.00 177.10 174.75 1bw5 n PRO 26 N 4.56 1.02 -3.22 0.43 -0.04 -1.25 -4.33 135.00 132.17 1bw5 n PRO 26 Ca -0.19 -0.02 -0.01 0.00 -0.04 0.00 0.00 63.50 63.24 1bw5 n PRO 26 Cb 0.56 -1.20 -0.02 0.00 -0.04 0.00 0.00 33.50 32.80 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 -1.61 0.67 0.72 0.54 6.06 -1.26 -5.11 118.95 118.96 1bw5 s ARG 27 Ca 0.00 -0.03 -0.06 0.00 -2.50 0.00 0.00 55.73 53.14 1bw5 s ARG 27 Cb 0.00 0.01 0.15 0.00 0.06 0.00 0.00 34.95 35.17 1bw5 s ARG 27 CO 0.00 -1.13 0.98 -0.35 -2.50 0.00 0.00 175.30 172.30 1bw5 n PRO 28 N 4.82 -0.49 -0.78 5.12 -0.04 -1.26 -5.11 135.00 137.26 1bw5 n PRO 28 Ca 0.08 -2.08 0.00 0.00 -0.04 0.00 0.00 63.50 61.46 1bw5 n PRO 28 Cb 0.54 -0.83 0.00 0.00 -0.04 0.00 0.00 33.50 33.17 1bw5 n PRO 28 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1bw5 n ASP 29 N -3.28 0.00 -0.30 3.54 5.68 -1.26 -5.00 116.55 115.93 1bw5 n ASP 29 Ca 0.14 -0.76 0.34 0.00 -0.50 0.00 0.00 54.79 54.02 1bw5 n ASP 29 Cb 0.50 0.00 0.75 0.00 -1.14 0.00 0.00 41.12 41.23 1bw5 n ASP 29 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1bw5 h ALA 30 N 2.00 3.09 -3.00 2.12 0.00 -1.99 0.93 119.26 122.41 1bw5 h ALA 30 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1bw5 h ALA 30 Cb 0.00 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1bw5 h ALA 30 CO 0.00 -1.43 0.00 1.28 0.00 0.00 0.00 179.25 179.10 1bw5 n LEU 31 N -4.16 0.80 -0.17 0.00 7.99 -1.26 -3.52 117.00 116.68 1bw5 n LEU 31 Ca 0.25 0.32 0.18 0.00 -0.01 0.00 0.00 56.01 56.75 1bw5 n LEU 31 Cb 1.22 0.00 0.55 0.00 -0.11 0.00 0.00 43.42 45.08 1bw5 n LEU 31 CO 0.40 0.00 1.21 -0.03 -1.51 0.00 0.00 177.39 177.46 1bw5 h MET 32 N 0.00 0.31 -1.23 3.23 4.05 -1.93 -1.37 114.93 117.99 1bw5 h MET 32 Ca 0.00 -0.02 0.35 0.00 -0.28 0.00 0.00 59.70 59.76 1bw5 h MET 32 Cb 0.00 -0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 30.65 1bw5 h MET 32 CO 0.00 0.21 0.84 0.87 0.23 0.00 0.00 176.91 179.06 1bw5 h LYS 33 N 0.32 0.14 0.37 0.39 1.57 -0.89 -0.00 116.57 118.46 1bw5 h LYS 33 Ca 0.39 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.14 1bw5 h LYS 33 Cb 1.04 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1bw5 h LYS 33 CO -0.11 0.09 -0.18 1.49 -0.57 0.00 0.00 179.45 180.18 1bw5 h GLU 34 N 0.14 -0.47 -0.32 3.15 4.81 -1.28 -3.16 114.58 117.44 1bw5 h GLU 34 Ca 0.65 0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.98 1bw5 h GLU 34 Cb 2.20 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 31.67 1bw5 h GLU 34 CO -0.17 -0.32 0.23 1.96 -0.73 0.00 0.00 179.01 179.98 1bw5 h GLN 35 N -0.60 0.11 -0.85 1.92 7.50 -1.55 -2.20 115.11 119.44 1bw5 h GLN 35 Ca -0.05 -0.01 0.21 0.00 0.50 0.00 0.00 58.65 59.30 1bw5 h GLN 35 Cb 0.38 -0.03 -0.13 0.00 0.05 0.00 0.00 27.48 27.75 1bw5 h GLN 35 CO 0.08 0.07 0.25 -0.07 -1.50 0.00 0.00 178.83 177.66 1bw5 h LEU 36 N 0.12 0.06 -0.21 1.46 -0.00 -0.98 0.15 115.31 115.91 1bw5 h LEU 36 Ca 0.15 0.18 0.05 0.00 -0.00 0.00 0.00 57.88 58.26 1bw5 h LEU 36 Cb 0.45 0.23 -0.06 0.00 -0.00 0.00 0.00 40.66 41.27 1bw5 h LEU 36 CO -0.02 -0.10 -0.17 0.58 -0.00 0.00 0.00 178.44 178.73 1bw5 h VAL 37 N 0.26 0.53 -0.76 1.22 2.07 -1.45 -2.48 116.25 115.63 1bw5 h VAL 37 Ca 0.52 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.07 1bw5 h VAL 37 Cb 0.99 0.53 -0.05 0.00 -1.52 0.00 0.00 31.29 31.24 1bw5 h VAL 37 CO -0.60 0.00 0.48 -0.08 0.02 0.00 0.00 177.57 177.39 1bw5 h GLU 38 N -0.18 0.89 -0.11 1.57 4.57 -0.84 2.87 114.58 123.34 1bw5 h GLU 38 Ca 0.12 -0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.29 1bw5 h GLU 38 Cb 0.37 -0.20 -0.04 0.00 -0.16 0.00 0.00 28.75 28.71 1bw5 h GLU 38 CO -0.31 0.59 -0.13 1.98 -1.18 0.00 0.00 179.01 179.95 1bw5 h MET 39 N 0.92 -0.16 0.00 1.92 4.05 -0.95 -3.16 114.93 117.55 1bw5 h MET 39 Ca 0.31 0.01 0.00 0.00 -0.28 0.00 0.00 59.70 59.74 1bw5 h MET 39 Cb 0.05 0.04 0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1bw5 h MET 39 CO -0.12 -0.11 -1.27 -2.37 0.23 0.00 0.00 176.91 173.27 1bw5 n THR 40 N -5.28 0.00 -0.67 -0.77 5.66 -1.15 -4.96 114.28 107.11 1bw5 n THR 40 Ca -0.03 -0.20 0.00 0.00 -3.05 0.00 0.00 64.05 60.76 1bw5 n THR 40 Cb 0.20 0.64 0.00 0.00 -1.55 0.00 0.00 70.33 69.62 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 1.43 0.79 3.91 1.09 0.00 0.96 -4.98 105.19 108.38 1bw5 n GLY 41 Ca 0.01 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 2.78 1.11 0.99 1.02 -1.24 -4.95 118.68 118.39 1bw5 s LEU 42 Ca 0.00 0.76 -0.15 0.00 0.02 0.00 0.00 54.13 54.76 1bw5 s LEU 42 Cb 0.00 -3.41 0.24 0.00 0.02 0.00 0.00 46.19 43.04 1bw5 s LEU 42 CO 0.00 -1.58 1.09 -0.94 0.02 0.00 0.00 176.35 174.93 1bw5 s SER 43 N -4.48 1.64 0.28 2.29 1.04 -1.26 -4.68 113.70 108.54 1bw5 s SER 43 Ca 0.60 0.98 0.08 0.00 0.48 0.00 0.00 55.95 58.09 1bw5 s SER 43 Cb -0.11 -1.50 0.41 0.00 0.10 0.00 0.00 66.02 64.92 1bw5 s SER 43 CO 0.48 -3.72 1.65 1.55 0.98 0.00 0.00 173.24 174.18 1bw5 h PRO 44 N -2.30 0.11 -0.02 4.02 0.13 -1.97 -3.24 132.00 128.73 1bw5 h PRO 44 Ca -0.52 -0.06 0.03 0.00 -0.87 0.00 0.00 66.00 64.58 1bw5 h PRO 44 Cb 1.32 0.01 -0.06 0.00 0.13 0.00 0.00 31.00 32.40 1bw5 h PRO 44 CO 0.48 0.62 -0.42 0.00 -0.23 0.00 0.00 178.00 178.45 1bw5 h ARG 45 N 0.08 -0.54 -0.79 0.86 3.08 -2.00 -0.11 114.38 114.97 1bw5 h ARG 45 Ca -0.00 0.04 -0.02 0.00 0.07 0.00 0.00 59.98 60.07 1bw5 h ARG 45 Cb 0.97 0.12 -0.04 0.00 0.08 0.00 0.00 29.97 31.11 1bw5 h ARG 45 CO 0.08 -0.36 0.42 0.28 -1.07 0.00 0.00 179.97 179.32 1bw5 h VAL 46 N -0.56 1.24 0.32 2.04 2.07 -1.95 -2.66 116.25 116.75 1bw5 h VAL 46 Ca 0.05 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 1bw5 h VAL 46 Cb 0.64 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1bw5 h VAL 46 CO -0.33 0.27 -0.27 0.40 0.02 0.00 0.00 177.57 177.66 1bw5 h ILE 47 N 1.09 0.00 -0.02 4.57 1.08 -1.41 -2.15 117.51 120.68 1bw5 h ILE 47 Ca 0.27 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.76 1bw5 h ILE 47 Cb 0.05 0.00 -0.05 0.00 -3.07 0.00 0.00 36.82 33.76 1bw5 h ILE 47 CO -0.04 0.00 -0.44 -0.09 -0.69 0.00 0.00 178.15 176.89 1bw5 h ARG 48 N -0.58 -0.52 -0.65 2.37 2.43 -1.02 -2.19 114.38 114.22 1bw5 h ARG 48 Ca -0.04 0.04 0.15 0.00 -0.81 0.00 0.00 59.98 59.31 1bw5 h ARG 48 Cb 0.49 0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 30.12 1bw5 h ARG 48 CO -0.01 -0.35 0.45 -0.24 -1.51 0.00 0.00 179.97 178.32 1bw5 h VAL 49 N -0.54 0.77 0.24 0.20 3.04 -1.53 -2.88 116.25 115.55 1bw5 h VAL 49 Ca 0.01 -0.08 0.01 0.00 -1.01 0.00 0.00 66.70 65.63 1bw5 h VAL 49 Cb 0.58 0.52 -0.03 0.00 -2.01 0.00 0.00 31.29 30.35 1bw5 h VAL 49 CO -0.30 0.04 -0.37 -0.25 -1.01 0.00 0.00 177.57 175.68 1bw5 h TRP 50 N 0.23 -1.02 -0.41 3.17 7.01 -0.71 0.15 115.95 124.37 1bw5 h TRP 50 Ca 0.31 0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.41 1bw5 h TRP 50 Cb 0.91 0.42 -0.07 0.00 -2.10 0.00 0.00 29.16 28.31 1bw5 h TRP 50 CO -0.00 -0.50 -0.04 0.74 -2.79 0.00 0.00 178.44 175.85 1bw5 h PHE 51 N -0.68 -0.10 0.00 2.65 0.04 -1.54 1.15 116.94 118.45 1bw5 h PHE 51 Ca 0.00 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.80 1bw5 h PHE 51 Cb 0.66 0.11 0.00 0.00 2.20 0.00 0.00 35.95 38.92 1bw5 h PHE 51 CO -0.27 -0.12 0.00 0.94 -0.60 0.00 0.00 178.31 178.25 1bw5 n GLN 52 N -5.25 0.00 -0.20 1.51 7.27 -1.00 -2.66 117.38 117.05 1bw5 n GLN 52 Ca 0.03 0.56 0.25 0.00 0.07 0.00 0.00 57.00 57.91 1bw5 n GLN 52 Cb 0.22 -1.48 0.65 0.00 2.41 0.00 0.00 30.24 32.04 1bw5 n GLN 52 CO 0.00 0.00 0.00 -0.97 0.07 0.00 0.00 177.06 176.16 1bw5 h ASN 53 N 0.00 0.14 -0.94 1.69 -0.73 -0.53 -2.86 115.58 112.35 1bw5 h ASN 53 Ca 0.00 0.02 0.18 0.00 1.87 0.00 0.00 56.30 58.37 1bw5 h ASN 53 Cb 0.00 -0.01 -0.17 0.00 0.27 0.00 0.00 38.32 38.41 1bw5 h ASN 53 CO 0.00 0.05 -0.27 0.50 -0.37 0.00 0.00 177.43 177.34 1bw5 h LYS 54 N 0.14 -0.01 -0.08 6.67 3.64 0.16 1.05 116.57 128.14 1bw5 h LYS 54 Ca 0.44 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.85 1bw5 h LYS 54 Cb 1.52 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.34 1bw5 h LYS 54 CO -0.07 -0.00 0.29 -0.09 -2.27 0.00 0.00 179.45 177.30 1bw5 h ARG 55 N -0.01 0.00 -0.52 1.90 2.43 -1.62 -0.02 114.38 116.54 1bw5 h ARG 55 Ca 0.42 0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.69 1bw5 h ARG 55 Cb 0.67 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 1bw5 h ARG 55 CO -0.96 0.00 0.35 0.00 -1.51 0.00 0.00 179.97 177.85 1bw5 n LYS 57 N -4.46 0.00 -0.69 0.00 4.81 -0.75 -5.00 118.16 112.06 1bw5 n LYS 57 Ca 0.08 0.00 -0.26 0.00 -0.87 0.00 0.00 58.31 57.26 1bw5 n LYS 57 Cb 0.37 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.39 1bw5 n LYS 57 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1bw5 n ASP 58 N -0.07 2.93 0.00 3.14 -0.08 -0.10 -2.76 116.55 119.61 1bw5 n ASP 58 Ca 0.00 -2.38 0.00 0.00 -1.51 0.00 0.00 54.79 50.90 1bw5 n ASP 58 Cb 0.00 -0.93 0.00 0.00 2.34 0.00 0.00 41.12 42.53 1bw5 n ASP 58 CO 0.00 0.00 0.00 1.17 0.12 0.00 0.00 177.20 178.49 1bw5 n LYS 59 N 5.52 0.00 -0.01 -0.67 4.81 -1.26 -4.69 118.16 121.86 1bw5 n LYS 59 Ca 0.38 0.00 -0.21 0.00 -0.87 0.00 0.00 58.31 57.61 1bw5 n LYS 59 Cb 0.21 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.12 1bw5 n LYS 59 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1bw5 n LYS 60 N -0.60 0.75 -3.41 1.64 3.00 -1.11 -4.81 118.16 113.62 1bw5 n LYS 60 Ca 0.00 0.25 -0.38 0.00 -0.00 0.00 0.00 58.31 58.18 1bw5 n LYS 60 Cb 0.00 -1.69 -0.08 0.00 0.00 0.00 0.00 35.03 33.26 1bw5 n LYS 60 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 1bw5 s ARG 61 N -2.56 4.12 0.89 1.64 3.52 -1.22 -5.07 118.95 120.27 1bw5 s ARG 61 Ca -0.23 0.12 -0.12 0.00 -0.13 0.00 0.00 55.73 55.36 1bw5 s ARG 61 Cb 0.07 -3.58 0.12 0.00 -1.56 0.00 0.00 34.95 30.01 1bw5 s ARG 61 CO 0.76 -0.11 1.12 -1.54 -0.81 0.00 0.00 175.30 174.72 1bw5 s SER 62 N 1.23 3.69 0.00 -2.12 1.04 -1.26 -4.84 113.70 111.44 1bw5 s SER 62 Ca 0.17 1.09 0.27 0.00 0.48 0.00 0.00 55.95 57.96 1bw5 s SER 62 Cb -0.15 -1.72 0.84 0.00 0.10 0.00 0.00 66.02 65.09 1bw5 s SER 62 CO 0.08 -2.45 1.62 -0.38 0.98 0.00 0.00 173.24 173.09 1bw5 n ILE 63 N -3.72 0.00 -2.61 -1.02 5.41 -1.26 -4.89 119.36 111.27 1bw5 n ILE 63 Ca 0.07 -0.15 -0.40 0.00 1.00 0.00 0.00 62.75 63.27 1bw5 n ILE 63 Cb 0.58 0.38 -0.05 0.00 -0.71 0.00 0.00 39.64 39.84 1bw5 n ILE 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1bw5 s MET 64 N -2.41 4.71 -0.05 0.38 0.23 -1.26 -4.97 119.30 115.94 1bw5 s MET 64 Ca 0.27 1.63 -0.30 0.00 -1.03 0.00 0.00 55.69 56.27 1bw5 s MET 64 Cb 0.20 -3.18 -0.05 0.00 -1.53 0.00 0.00 34.83 30.26 1bw5 s MET 64 CO 0.48 0.33 1.58 1.41 -2.03 0.00 0.00 175.02 176.80 1bw5 s MET 65 N -1.40 4.20 0.00 3.16 1.75 -1.26 -5.21 119.30 120.53 1bw5 s MET 65 Ca 0.44 2.12 0.26 0.00 -1.25 0.00 0.00 55.69 57.26 1bw5 s MET 65 Cb -0.28 -3.88 0.65 0.00 2.84 0.00 0.00 34.83 34.15 1bw5 s MET 65 CO 0.36 -0.79 1.52 0.36 -0.65 0.00 0.00 175.02 175.82