#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqz n LYS 2 N 0.00 0.25 -2.05 0.00 4.81 -1.26 -4.92 118.16 114.99 1bqz n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1bqz n LYS 2 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1bqz n LYS 2 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 1bqz n GLN 3 N -0.91 -5.19 -5.18 1.64 6.02 -1.26 -5.00 117.38 107.50 1bqz n GLN 3 Ca 0.00 3.73 -0.32 0.00 -0.01 0.00 0.00 57.00 60.40 1bqz n GLN 3 Cb 0.00 -4.13 -0.16 0.00 1.02 0.00 0.00 30.24 26.97 1bqz n GLN 3 CO 0.00 0.00 0.00 0.16 -1.01 0.00 0.00 177.06 176.21 1bqz s ASP 4 N -0.50 3.25 -0.18 1.08 1.47 -1.26 -5.00 116.67 115.52 1bqz s ASP 4 Ca 0.00 -0.47 0.10 0.00 1.18 0.00 0.00 52.55 53.36 1bqz s ASP 4 Cb 0.00 -0.96 -0.18 0.00 -0.34 0.00 0.00 42.92 41.44 1bqz s ASP 4 CO 0.00 0.24 -0.04 -1.22 0.68 0.00 0.00 175.17 174.83 1bqz n TYR 5 N 2.99 0.00 0.28 2.11 4.01 -1.26 -2.13 117.16 123.16 1bqz n TYR 5 Ca -0.18 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.72 1bqz n TYR 5 Cb 0.52 -0.82 0.80 0.00 -0.31 0.00 0.00 39.34 39.53 1bqz n TYR 5 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1bqz h TYR 6 N 0.00 0.00 0.00 -0.72 0.05 -1.88 0.02 116.97 114.44 1bqz h TYR 6 Ca -0.46 0.00 -0.27 0.00 0.05 0.00 0.00 58.73 58.05 1bqz h TYR 6 Cb 1.92 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 39.61 1bqz h TYR 6 CO 0.01 0.07 -1.60 1.49 -1.05 0.00 0.00 178.16 177.08 1bqz h GLU 7 N 0.00 0.00 -0.77 4.88 4.81 -1.75 0.49 114.58 122.24 1bqz h GLU 7 Ca -0.00 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.40 1bqz h GLU 7 Cb 0.35 0.00 -0.14 0.00 0.63 0.00 0.00 28.75 29.59 1bqz h GLU 7 CO 0.01 0.53 -0.08 0.82 -0.73 0.00 0.00 179.01 179.55 1bqz h ILE 8 N 0.00 0.28 0.00 2.32 2.04 -0.45 0.76 117.51 122.46 1bqz h ILE 8 Ca -0.24 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.60 1bqz h ILE 8 Cb 1.95 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 38.25 1bqz h ILE 8 CO 0.08 0.01 -0.55 -0.07 0.00 0.00 0.00 178.15 177.62 1bqz h LEU 9 N 0.05 0.00 0.00 1.44 -0.00 -1.64 -3.47 115.31 111.68 1bqz h LEU 9 Ca 0.40 -0.02 0.00 0.00 -0.00 0.00 0.00 57.88 58.27 1bqz h LEU 9 Cb 0.68 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.34 1bqz h LEU 9 CO -0.73 0.01 0.00 0.61 -0.00 0.00 0.00 178.44 178.33 1bqz n GLY 10 N 1.16 0.66 1.62 0.83 0.00 0.26 -4.57 105.19 105.16 1bqz n GLY 10 Ca 0.02 -0.43 -0.10 0.00 0.00 0.00 0.00 46.02 45.50 1bqz n GLY 10 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1bqz n VAL 11 N -2.58 0.00 -2.96 1.61 0.31 0.17 -4.93 118.33 109.95 1bqz n VAL 11 Ca 0.00 -0.59 -0.37 0.00 -0.01 0.00 0.00 64.34 63.37 1bqz n VAL 11 Cb 0.00 -1.34 -0.06 0.00 -0.91 0.00 0.00 33.84 31.52 1bqz n VAL 11 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1bqz s SER 12 N -2.79 7.18 0.65 4.52 0.01 -1.26 -4.33 113.70 117.69 1bqz s SER 12 Ca 0.29 1.60 0.23 0.00 1.31 0.00 0.00 55.95 59.38 1bqz s SER 12 Cb -0.01 -2.49 1.24 0.00 0.21 0.00 0.00 66.02 64.96 1bqz s SER 12 CO 0.19 -0.00 1.70 0.07 0.41 0.00 0.00 173.24 175.61 1bqz h LYS 13 N 3.34 0.00 -0.47 12.44 2.10 -1.97 2.45 116.57 134.46 1bqz h LYS 13 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 1bqz h LYS 13 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1bqz h LYS 13 CO 0.65 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.35 1bqz n THR 14 N -2.91 1.66 0.00 0.07 -2.24 -1.26 -4.42 114.28 105.18 1bqz n THR 14 Ca 0.00 -1.29 0.00 0.00 -2.27 0.00 0.00 64.05 60.49 1bqz n THR 14 Cb 0.59 0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.98 1bqz n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1bqz n ALA 15 N 0.58 0.00 -2.50 6.98 0.00 0.82 -5.08 120.51 121.31 1bqz n ALA 15 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.64 1bqz n ALA 15 Cb 0.74 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.19 1bqz n ALA 15 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1bqz n GLU 16 N 0.00 0.00 0.00 0.00 1.02 -1.26 -4.99 120.64 115.41 1bqz n GLU 16 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1bqz n GLU 16 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1bqz n GLU 16 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1bqz n GLU 17 N 0.00 0.00 -0.36 3.49 1.02 -1.26 -3.78 120.64 119.75 1bqz n GLU 17 Ca 0.00 0.19 0.01 0.00 -0.02 0.00 0.00 57.16 57.34 1bqz n GLU 17 Cb 0.00 -0.64 0.06 0.00 -0.02 0.00 0.00 31.44 30.84 1bqz n GLU 17 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1bqz n ARG 18 N -1.99 -0.19 0.28 3.49 1.85 -1.26 0.26 116.66 119.10 1bqz n ARG 18 Ca 0.00 1.47 0.15 0.00 -1.00 0.00 0.00 57.85 58.47 1bqz n ARG 18 Cb 0.00 -2.18 0.80 0.00 -1.05 0.00 0.00 32.46 30.03 1bqz n ARG 18 CO 0.00 0.00 0.00 1.05 -0.01 0.00 0.00 177.63 178.67 1bqz h GLU 19 N 0.00 0.00 0.00 2.89 4.11 -1.98 1.89 114.58 121.50 1bqz h GLU 19 Ca 0.36 0.00 -0.15 0.00 0.07 0.00 0.00 59.36 59.64 1bqz h GLU 19 Cb 0.60 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 1bqz h GLU 19 CO -0.95 0.08 -0.84 0.82 0.07 0.00 0.00 179.01 178.19 1bqz h ILE 20 N 0.00 1.22 -0.74 -1.06 5.03 0.35 -2.88 117.51 119.42 1bqz h ILE 20 Ca -0.00 -2.24 -0.05 0.00 -0.12 0.00 0.00 64.86 62.45 1bqz h ILE 20 Cb 0.31 2.63 -0.03 0.00 -3.03 0.00 0.00 36.82 36.70 1bqz h ILE 20 CO 0.01 0.42 0.26 0.08 -0.68 0.00 0.00 178.15 178.24 1bqz h ARG 21 N -0.98 1.12 -0.55 2.37 -0.00 0.36 -0.90 114.38 115.80 1bqz h ARG 21 Ca -0.23 -0.22 0.11 0.00 -0.00 0.00 0.00 59.98 59.64 1bqz h ARG 21 Cb 1.21 -0.18 -0.09 0.00 -0.00 0.00 0.00 29.97 30.92 1bqz h ARG 21 CO -0.13 0.93 0.05 -0.22 -0.00 0.00 0.00 179.97 180.60 1bqz h LYS 22 N 1.09 0.17 -0.06 0.08 1.63 0.28 2.10 116.57 121.87 1bqz h LYS 22 Ca 0.24 -0.01 -0.07 0.00 -0.85 0.00 0.00 60.65 59.96 1bqz h LYS 22 Cb 0.25 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 1bqz h LYS 22 CO -0.01 0.11 -0.30 0.00 -3.45 0.00 0.00 179.45 175.80 1bqz h ALA 23 N 1.47 1.40 0.12 5.00 0.00 -1.07 0.41 119.26 126.59 1bqz h ALA 23 Ca 0.29 -0.30 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 1bqz h ALA 23 Cb 0.43 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.17 1bqz h ALA 23 CO -0.42 0.43 -0.99 -0.92 0.00 0.00 0.00 179.25 177.34 1bqz h TYR 24 N 0.09 0.46 0.00 0.00 3.20 0.53 -2.83 116.97 118.42 1bqz h TYR 24 Ca 0.01 -0.33 0.00 0.00 3.14 0.00 0.00 58.73 61.55 1bqz h TYR 24 Cb 0.58 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.83 1bqz h TYR 24 CO 0.00 1.39 0.00 1.17 -1.64 0.00 0.00 178.16 179.08 1bqz n LYS 25 N -4.09 0.05 -0.09 1.82 0.00 0.68 0.17 118.16 116.70 1bqz n LYS 25 Ca -0.18 0.22 -0.14 0.00 0.00 0.00 0.00 58.31 58.20 1bqz n LYS 25 Cb 0.82 -1.50 -0.08 0.00 0.00 0.00 0.00 35.03 34.27 1bqz n LYS 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bqz h ARG 26 N 0.00 0.00 0.22 1.64 3.08 -0.14 -3.07 114.38 116.12 1bqz h ARG 26 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.76 1bqz h ARG 26 Cb 0.23 0.00 0.03 0.00 0.08 0.00 0.00 29.97 30.31 1bqz h ARG 26 CO 0.00 0.65 -1.26 1.37 -1.07 0.00 0.00 179.97 179.66 1bqz h LEU 27 N -1.00 0.73 -0.79 3.04 -0.00 -1.43 -3.31 115.31 112.55 1bqz h LEU 27 Ca -0.17 -0.93 -0.08 0.00 -0.00 0.00 0.00 57.88 56.70 1bqz h LEU 27 Cb 0.93 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.33 1bqz h LEU 27 CO -0.10 1.61 0.06 0.00 -0.00 0.00 0.00 178.44 180.01 1bqz h ALA 28 N 0.13 1.00 -0.49 0.17 0.00 -0.49 0.67 119.26 120.24 1bqz h ALA 28 Ca -0.22 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.47 1bqz h ALA 28 Cb 2.00 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.53 1bqz h ALA 28 CO 0.24 0.63 0.33 0.00 0.00 0.00 0.00 179.25 180.44 1bqz h MET 29 N 0.91 0.47 0.00 0.00 -0.00 -1.62 0.55 114.93 115.23 1bqz h MET 29 Ca 0.18 -0.03 0.00 0.00 -0.00 0.00 0.00 59.70 59.85 1bqz h MET 29 Cb 0.45 -0.11 0.00 0.00 -0.00 0.00 0.00 31.60 31.94 1bqz h MET 29 CO 0.02 0.31 -0.66 0.87 -0.00 0.00 0.00 176.91 177.44 1bqz h LYS 30 N 0.48 0.00 -0.59 -0.10 1.57 -1.42 -3.30 116.57 113.21 1bqz h LYS 30 Ca 0.21 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.99 1bqz h LYS 30 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1bqz h LYS 30 CO -0.05 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.49 1bqz n TYR 31 N -2.15 1.01 0.00 -1.35 4.01 0.23 -4.82 117.16 114.09 1bqz n TYR 31 Ca 0.03 -0.56 0.00 0.00 -0.16 0.00 0.00 57.90 57.21 1bqz n TYR 31 Cb 0.45 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.38 1bqz n TYR 31 CO 0.00 0.00 0.00 -2.39 -0.46 0.00 0.00 176.86 174.01 1bqz n HIS 32 N 1.09 -0.09 -0.44 -0.72 1.44 0.15 -4.11 115.22 112.54 1bqz n HIS 32 Ca 0.22 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.83 1bqz n HIS 32 Cb 0.67 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.74 1bqz n HIS 32 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 1bqz n PRO 33 N 0.00 1.07 -0.07 -1.40 -0.04 -1.26 -3.25 135.00 130.05 1bqz n PRO 33 Ca 0.00 -0.73 -0.09 0.00 -0.04 0.00 0.00 63.50 62.65 1bqz n PRO 33 Cb 0.00 -1.96 -0.08 0.00 -0.04 0.00 0.00 33.50 31.41 1bqz n PRO 33 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1bqz n ASP 34 N 3.52 2.41 0.00 3.54 5.75 -1.26 -4.82 116.55 125.69 1bqz n ASP 34 Ca 0.23 -0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.96 1bqz n ASP 34 Cb 0.24 0.23 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 1bqz n ASP 34 CO 0.00 0.00 0.00 -2.11 -0.11 0.00 0.00 177.20 174.98 1bqz n ARG 35 N -2.73 0.64 -0.68 0.11 -4.01 -1.20 -4.78 116.66 104.01 1bqz n ARG 35 Ca -0.24 0.00 0.52 0.00 -1.04 0.00 0.00 57.85 57.09 1bqz n ARG 35 Cb 0.84 -0.57 0.82 0.00 -3.04 0.00 0.00 32.46 30.51 1bqz n ARG 35 CO 0.00 0.00 0.00 -0.91 -3.04 0.00 0.00 177.63 173.68 1bqz h ASN 36 N 0.00 0.01 -0.09 2.89 -0.26 -1.71 1.64 115.58 118.06 1bqz h ASN 36 Ca 0.00 0.01 0.03 0.00 -0.56 0.00 0.00 56.30 55.77 1bqz h ASN 36 Cb 0.13 0.01 -0.00 0.00 -1.06 0.00 0.00 38.32 37.39 1bqz h ASN 36 CO 0.00 -0.01 0.41 1.56 -1.06 0.00 0.00 177.43 178.33 1bqz h GLN 37 N 0.00 0.00 -1.37 0.81 4.20 -1.86 0.14 115.11 117.04 1bqz h GLN 37 Ca 0.92 0.00 -0.64 0.00 0.06 0.00 0.00 58.65 58.98 1bqz h GLN 37 Cb 3.66 0.00 -0.36 0.00 0.30 0.00 0.00 27.48 31.08 1bqz h GLN 37 CO -0.03 0.00 0.01 0.41 -0.67 0.00 0.00 178.83 178.55 1bqz n GLY 38 N -1.30 5.95 2.81 3.46 0.00 0.56 -4.89 105.19 111.79 1bqz n GLY 38 Ca 0.00 -2.59 -0.42 0.00 0.00 0.00 0.00 46.02 43.01 1bqz n GLY 38 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1bqz n ASP 39 N -0.63 5.35 -0.89 1.61 5.75 0.49 -4.69 116.55 123.54 1bqz n ASP 39 Ca 0.48 -3.10 0.03 0.00 -0.01 0.00 0.00 54.79 52.20 1bqz n ASP 39 Cb 0.62 -1.47 0.15 0.00 -1.03 0.00 0.00 41.12 39.39 1bqz n ASP 39 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1bqz n LYS 40 N 3.73 2.27 0.00 0.11 5.02 -1.26 -4.16 118.16 123.87 1bqz n LYS 40 Ca 0.43 -1.17 0.00 0.00 -2.02 0.00 0.00 58.31 55.55 1bqz n LYS 40 Cb 0.35 -1.63 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1bqz n LYS 40 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 1bqz n GLU 41 N 0.27 0.00 0.11 1.97 0.28 -1.26 -4.90 120.64 117.11 1bqz n GLU 41 Ca 0.10 0.00 0.08 0.00 -0.16 0.00 0.00 57.16 57.19 1bqz n GLU 41 Cb 0.51 0.00 0.43 0.00 1.43 0.00 0.00 31.44 33.80 1bqz n GLU 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1bqz n ALA 42 N 0.00 1.16 -0.34 -1.84 0.00 -1.26 -2.87 120.51 115.35 1bqz n ALA 42 Ca 0.00 0.13 0.32 0.00 0.00 0.00 0.00 53.44 53.88 1bqz n ALA 42 Cb 0.00 -1.25 0.56 0.00 0.00 0.00 0.00 19.45 18.76 1bqz n ALA 42 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1bqz n GLU 43 N -2.04 -0.05 -0.02 0.00 0.28 -1.26 0.35 120.64 117.90 1bqz n GLU 43 Ca -0.00 1.20 -0.13 0.00 -0.16 0.00 0.00 57.16 58.07 1bqz n GLU 43 Cb 0.06 -2.24 -0.09 0.00 1.43 0.00 0.00 31.44 30.60 1bqz n GLU 43 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1bqz h ALA 44 N 1.66 0.04 -1.41 -1.84 0.00 -1.88 -2.69 119.26 113.15 1bqz h ALA 44 Ca 0.78 -0.25 0.41 0.00 0.00 0.00 0.00 54.91 55.84 1bqz h ALA 44 Cb 2.25 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.97 1bqz h ALA 44 CO -0.58 -0.19 1.18 -0.22 0.00 0.00 0.00 179.25 179.43 1bqz h LYS 45 N -0.38 0.00 0.15 0.00 3.64 -0.35 2.63 116.57 122.26 1bqz h LYS 45 Ca 0.01 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 1bqz h LYS 45 Cb 0.51 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1bqz h LYS 45 CO 0.01 0.00 -0.07 0.74 -2.27 0.00 0.00 179.45 177.86 1bqz h PHE 46 N 0.00 -0.18 0.00 1.91 0.04 -1.41 -2.75 116.94 114.55 1bqz h PHE 46 Ca 0.67 -0.00 -0.21 0.00 2.80 0.00 0.00 57.97 61.22 1bqz h PHE 46 Cb 3.02 0.06 -0.03 0.00 2.20 0.00 0.00 35.95 41.19 1bqz h PHE 46 CO 0.00 0.19 -1.23 1.57 -0.60 0.00 0.00 178.31 178.24 1bqz h LYS 47 N -0.60 0.00 -1.03 1.51 -0.00 0.09 -3.17 116.57 113.36 1bqz h LYS 47 Ca -0.02 0.00 0.29 0.00 -0.00 0.00 0.00 60.65 60.92 1bqz h LYS 47 Cb 0.46 0.00 -0.13 0.00 -0.00 0.00 0.00 32.23 32.56 1bqz h LYS 47 CO 0.03 0.63 0.62 0.93 -0.00 0.00 0.00 179.45 181.66 1bqz h GLU 48 N 0.00 0.42 -0.04 0.07 4.39 0.42 2.15 114.58 121.99 1bqz h GLU 48 Ca -0.13 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 1bqz h GLU 48 Cb 1.76 -0.09 -0.00 0.00 -0.10 0.00 0.00 28.75 30.31 1bqz h GLU 48 CO 0.09 0.28 -0.03 0.82 -1.16 0.00 0.00 179.01 179.01 1bqz h ILE 49 N 0.43 1.37 -0.09 3.13 2.04 -1.49 -2.65 117.51 120.26 1bqz h ILE 49 Ca 0.67 -1.15 -0.01 0.00 1.00 0.00 0.00 64.86 65.37 1bqz h ILE 49 Cb 1.51 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 39.65 1bqz h ILE 49 CO -0.47 0.31 -0.01 0.50 0.00 0.00 0.00 178.15 178.47 1bqz h LYS 50 N -0.36 0.12 -0.40 2.37 3.11 0.66 -1.98 116.57 120.09 1bqz h LYS 50 Ca 0.01 -0.01 -0.02 0.00 -2.81 0.00 0.00 60.65 57.81 1bqz h LYS 50 Cb 0.52 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.71 1bqz h LYS 50 CO 0.01 0.15 0.17 1.49 -2.81 0.00 0.00 179.45 178.46 1bqz h GLU 51 N 0.12 0.58 -1.47 1.90 4.81 0.33 -2.78 114.58 118.08 1bqz h GLU 51 Ca 0.03 -0.10 0.43 0.00 -0.13 0.00 0.00 59.36 59.59 1bqz h GLU 51 Cb 0.11 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 1bqz h GLU 51 CO 0.00 0.54 1.05 0.00 -0.73 0.00 0.00 179.01 179.87 1bqz n ALA 52 N -2.29 1.41 0.01 2.92 0.00 -0.74 0.17 120.51 121.99 1bqz n ALA 52 Ca -0.00 0.50 0.07 0.00 0.00 0.00 0.00 53.44 54.01 1bqz n ALA 52 Cb 0.13 -0.86 0.48 0.00 0.00 0.00 0.00 19.45 19.20 1bqz n ALA 52 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1bqz h TYR 53 N 0.00 0.42 0.00 0.00 0.05 -1.64 0.49 116.97 116.28 1bqz h TYR 53 Ca 0.71 0.01 0.00 0.00 0.05 0.00 0.00 58.73 59.50 1bqz h TYR 53 Cb 2.81 -0.14 0.00 0.00 1.01 0.00 0.00 36.73 40.41 1bqz h TYR 53 CO -0.00 0.24 0.13 1.05 -1.05 0.00 0.00 178.16 178.53 1bqz h GLU 54 N 0.43 0.00 0.00 4.88 -0.00 0.16 0.05 114.58 120.09 1bqz h GLU 54 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.53 1bqz h GLU 54 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.89 1bqz h GLU 54 CO -0.04 0.00 -0.71 0.28 -0.00 0.00 0.00 179.01 178.54 1bqz n VAL 55 N -2.79 1.40 0.12 -1.06 0.31 0.16 -4.55 118.33 111.93 1bqz n VAL 55 Ca -0.02 0.22 -0.01 0.00 -0.01 0.00 0.00 64.34 64.51 1bqz n VAL 55 Cb 0.18 -2.13 0.09 0.00 -0.91 0.00 0.00 33.84 31.07 1bqz n VAL 55 CO 0.00 0.00 0.00 0.17 -1.32 0.00 0.00 176.83 175.68 1bqz h LEU 56 N -0.71 0.00 -2.56 7.52 8.10 -1.12 -1.53 115.31 125.02 1bqz h LEU 56 Ca 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 57.88 57.86 1bqz h LEU 56 Cb 0.71 0.00 -0.08 0.00 -0.44 0.00 0.00 40.66 40.86 1bqz h LEU 56 CO 0.00 0.67 0.16 0.35 -4.11 0.00 0.00 178.44 175.52 1bqz n THR 57 N -3.51 1.65 -3.63 0.15 -2.24 -0.00 -4.46 114.28 102.24 1bqz n THR 57 Ca -0.00 -0.75 -0.18 0.00 -2.27 0.00 0.00 64.05 60.86 1bqz n THR 57 Cb 0.72 -0.61 -0.15 0.00 -2.10 0.00 0.00 70.33 68.19 1bqz n THR 57 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 1bqz s ASP 58 N -0.16 0.97 0.29 3.42 1.01 -1.16 -4.94 116.67 116.11 1bqz s ASP 58 Ca 0.25 0.17 0.14 0.00 0.71 0.00 0.00 52.55 53.81 1bqz s ASP 58 Cb 0.20 0.29 0.74 0.00 1.01 0.00 0.00 42.92 45.16 1bqz s ASP 58 CO 0.06 -0.27 1.33 -1.20 0.21 0.00 0.00 175.17 175.30 1bqz n SER 59 N 5.32 0.35 0.00 0.27 7.64 -1.26 -2.11 113.62 123.83 1bqz n SER 59 Ca -0.05 0.58 -0.12 0.00 1.01 0.00 0.00 58.87 60.29 1bqz n SER 59 Cb 0.50 -0.55 -0.09 0.00 -1.01 0.00 0.00 64.21 63.05 1bqz n SER 59 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1bqz h GLN 60 N 0.00 -0.09 0.02 1.43 4.15 -1.94 -3.06 115.11 115.61 1bqz h GLN 60 Ca 0.00 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.37 1bqz h GLN 60 Cb 0.45 0.02 0.01 0.00 0.21 0.00 0.00 27.48 28.17 1bqz h GLN 60 CO 0.00 0.47 -0.22 0.87 -1.93 0.00 0.00 178.83 178.02 1bqz h LYS 61 N -0.79 0.11 -0.21 1.69 1.79 -1.54 -2.28 116.57 115.35 1bqz h LYS 61 Ca -0.01 -0.15 0.06 0.00 -2.18 0.00 0.00 60.65 58.37 1bqz h LYS 61 Cb 0.61 0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.30 1bqz h LYS 61 CO 0.02 0.98 0.34 0.07 -1.08 0.00 0.00 179.45 179.78 1bqz h ARG 62 N -0.69 0.00 0.00 3.15 0.11 -0.95 1.87 114.38 117.87 1bqz h ARG 62 Ca -0.03 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.97 1bqz h ARG 62 Cb 1.07 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.14 1bqz h ARG 62 CO 0.04 0.00 -0.94 0.00 0.10 0.00 0.00 179.97 179.17 1bqz h ALA 63 N 1.51 0.64 0.11 0.08 0.00 -1.50 -2.88 119.26 117.22 1bqz h ALA 63 Ca 0.10 -0.37 -0.27 0.00 0.00 0.00 0.00 54.91 54.37 1bqz h ALA 63 Cb 0.78 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1bqz h ALA 63 CO -0.00 0.42 -1.38 0.00 0.00 0.00 0.00 179.25 178.29 1bqz h ALA 64 N 1.72 0.18 -0.35 0.00 0.00 0.28 -3.26 119.26 117.82 1bqz h ALA 64 Ca -0.06 -1.09 -0.00 0.00 0.00 0.00 0.00 54.91 53.77 1bqz h ALA 64 Cb 1.27 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 1bqz h ALA 64 CO 0.03 0.81 0.22 -0.92 0.00 0.00 0.00 179.25 179.38 1bqz h TYR 65 N -0.35 0.45 -0.12 0.00 3.20 0.19 -0.60 116.97 119.74 1bqz h TYR 65 Ca -0.30 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.61 1bqz h TYR 65 Cb 1.73 -0.15 -0.00 0.00 1.54 0.00 0.00 36.73 39.84 1bqz h TYR 65 CO 0.13 0.31 0.18 0.38 -1.64 0.00 0.00 178.16 177.52 1bqz h ASP 66 N 0.46 0.00 0.40 -2.11 3.04 -1.65 0.34 116.42 116.89 1bqz h ASP 66 Ca 0.13 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.92 1bqz h ASP 66 Cb -0.01 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.28 1bqz h ASP 66 CO -0.02 0.00 -0.46 0.00 -2.04 0.00 0.00 179.24 176.71 1bqz n GLN 67 N -3.59 0.23 -3.78 4.15 1.13 -0.31 -4.95 117.38 110.26 1bqz n GLN 67 Ca 0.00 -0.14 -0.27 0.00 -1.94 0.00 0.00 57.00 54.65 1bqz n GLN 67 Cb 0.28 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.18 1bqz n GLN 67 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1bqz n TYR 68 N -1.26 -2.53 0.00 1.08 4.01 0.12 -4.05 117.16 114.52 1bqz n TYR 68 Ca 0.07 0.95 0.00 0.00 -0.16 0.00 0.00 57.90 58.76 1bqz n TYR 68 Cb 0.34 -4.43 0.00 0.00 -0.31 0.00 0.00 39.34 34.94 1bqz n TYR 68 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1bqz n GLY 69 N -1.81 2.03 0.00 2.72 0.00 -1.21 -4.59 105.19 102.33 1bqz n GLY 69 Ca 0.02 -1.94 0.10 0.00 0.00 0.00 0.00 46.02 44.20 1bqz n GLY 69 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 1bqz n HIS 70 N 1.75 0.00 -0.20 1.61 1.44 -1.26 -3.15 115.22 115.40 1bqz n HIS 70 Ca 0.00 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.64 1bqz n HIS 70 Cb 0.00 -0.10 0.07 0.00 0.12 0.00 0.00 29.99 30.07 1bqz n HIS 70 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1bqz h ALA 71 N 3.17 0.94 0.00 1.59 0.00 -1.81 -0.02 119.26 123.13 1bqz h ALA 71 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1bqz h ALA 71 Cb 0.07 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1bqz h ALA 71 CO 0.00 0.65 0.00 0.00 0.00 0.00 0.00 179.25 179.90 1bqz n ALA 72 N -2.47 1.27 -0.06 0.00 0.00 -1.19 -2.47 120.51 115.58 1bqz n ALA 72 Ca 0.04 0.11 -0.06 0.00 0.00 0.00 0.00 53.44 53.53 1bqz n ALA 72 Cb 0.31 -1.28 -0.10 0.00 0.00 0.00 0.00 19.45 18.38 1bqz n ALA 72 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1bqz n PHE 73 N -2.06 0.00 -4.27 0.00 3.72 -0.74 -5.06 117.46 109.05 1bqz n PHE 73 Ca 0.00 0.00 -0.19 0.00 -0.05 0.00 0.00 57.45 57.21 1bqz n PHE 73 Cb 0.10 -0.61 -0.08 0.00 -0.94 0.00 0.00 39.48 37.95 1bqz n PHE 73 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 1bqz s GLU 74 N -2.33 1.80 0.20 -1.08 2.02 -0.10 -5.15 118.70 114.06 1bqz s GLU 74 Ca -0.06 -2.01 0.08 0.00 0.02 0.00 0.00 54.97 53.00 1bqz s GLU 74 Cb 0.04 0.34 -0.05 0.00 0.10 0.00 0.00 34.13 34.56 1bqz s GLU 74 CO 0.52 -0.68 -0.16 -0.65 0.02 0.00 0.00 175.26 174.31 1bqz s GLN 75 N -3.36 1.34 0.98 1.61 -1.52 -1.26 -4.34 119.66 113.10 1bqz s GLN 75 Ca 0.40 -1.55 -0.12 0.00 -1.95 0.00 0.00 55.36 52.14 1bqz s GLN 75 Cb 0.02 -1.23 0.18 0.00 -0.22 0.00 0.00 33.01 31.76 1bqz s GLN 75 CO 0.28 0.22 1.10 0.20 -0.25 0.00 0.00 175.29 176.84 1bqz s GLY 76 N -3.14 1.57 0.00 3.09 0.00 -1.26 -5.11 107.32 102.48 1bqz s GLY 76 Ca 0.21 -0.37 0.24 0.00 0.00 0.00 0.00 44.72 44.80 1bqz s GLY 76 CO 0.07 0.23 1.26 0.61 0.00 0.00 0.00 173.10 175.27