#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bqz s LYS 2 N 0.00 4.21 -0.22 0.00 2.36 -1.26 -4.99 119.74 119.85 1bqz s LYS 2 Ca 0.00 1.18 -0.29 0.00 -2.55 0.00 0.00 55.97 54.31 1bqz s LYS 2 Cb 0.00 -3.65 0.15 0.00 -1.05 0.00 0.00 37.83 33.28 1bqz s LYS 2 CO 0.00 -0.62 1.14 1.14 1.55 0.00 0.00 175.35 178.56 1bqz s GLN 3 N 3.12 0.38 -0.27 4.03 -2.07 -1.26 -5.15 119.66 118.44 1bqz s GLN 3 Ca 0.41 0.13 -0.03 0.00 -1.82 0.00 0.00 55.36 54.05 1bqz s GLN 3 Cb -0.15 0.18 0.16 0.00 -1.09 0.00 0.00 33.01 32.11 1bqz s GLN 3 CO 0.07 -0.11 0.51 -0.51 -1.32 0.00 0.00 175.29 173.94 1bqz s ASP 4 N -0.93 -0.73 0.12 12.60 1.11 -1.26 -5.02 116.67 122.57 1bqz s ASP 4 Ca 0.03 0.72 -0.24 0.00 0.18 0.00 0.00 52.55 53.24 1bqz s ASP 4 Cb -0.01 1.76 -0.05 0.00 1.07 0.00 0.00 42.92 45.68 1bqz s ASP 4 CO -0.03 -0.27 1.34 -1.22 1.18 0.00 0.00 175.17 176.17 1bqz n TYR 5 N 5.41 -0.34 -0.33 4.23 4.02 -1.26 0.37 117.16 129.26 1bqz n TYR 5 Ca -0.03 0.98 0.36 0.00 -0.01 0.00 0.00 57.90 59.19 1bqz n TYR 5 Cb 0.50 -0.56 0.75 0.00 -0.02 0.00 0.00 39.34 40.02 1bqz n TYR 5 CO 0.00 0.00 0.00 1.88 -1.01 0.00 0.00 176.86 177.73 1bqz h TYR 6 N 0.00 0.00 0.02 -0.72 0.05 -1.87 2.12 116.97 116.56 1bqz h TYR 6 Ca 0.12 0.00 -0.29 0.00 0.05 0.00 0.00 58.73 58.61 1bqz h TYR 6 Cb 0.32 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.02 1bqz h TYR 6 CO -0.93 0.00 -1.64 1.49 -1.05 0.00 0.00 178.16 176.03 1bqz h GLU 7 N 0.00 0.05 -0.77 4.88 4.81 0.67 0.90 114.58 125.12 1bqz h GLU 7 Ca 0.57 -0.08 0.14 0.00 -0.13 0.00 0.00 59.36 59.86 1bqz h GLU 7 Cb 2.35 0.03 -0.09 0.00 0.63 0.00 0.00 28.75 31.67 1bqz h GLU 7 CO -0.01 0.67 0.34 0.82 -0.73 0.00 0.00 179.01 180.11 1bqz h ILE 8 N 0.01 0.69 -0.25 2.32 1.08 2.15 1.25 117.51 124.77 1bqz h ILE 8 Ca -0.26 -0.17 0.00 0.00 -0.39 0.00 0.00 64.86 64.03 1bqz h ILE 8 Cb 1.99 0.15 0.00 0.00 -3.07 0.00 0.00 36.82 35.88 1bqz h ILE 8 CO 0.09 0.09 0.00 0.18 -0.69 0.00 0.00 178.15 177.82 1bqz n LEU 9 N -4.95 1.67 -1.89 1.44 4.77 -0.32 -4.86 117.00 112.86 1bqz n LEU 9 Ca 0.15 -0.84 -0.17 0.00 -0.03 0.00 0.00 56.01 55.12 1bqz n LEU 9 Cb 0.41 -0.26 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 1bqz n LEU 9 CO 0.20 0.36 -0.21 0.61 -1.33 0.00 0.00 177.39 177.01 1bqz n GLY 10 N 0.76 -0.19 3.17 -0.72 0.00 0.43 -4.50 105.19 104.14 1bqz n GLY 10 Ca 0.09 -0.18 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.91 0.00 -3.23 1.61 0.31 0.31 -4.95 118.33 108.46 1bqz n VAL 11 Ca -0.20 -1.93 -0.32 0.00 -0.01 0.00 0.00 64.34 61.87 1bqz n VAL 11 Cb 0.65 0.12 -0.06 0.00 -0.91 0.00 0.00 33.84 33.64 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 -3.58 6.73 0.65 4.52 0.01 -1.25 -3.62 113.70 117.17 1bqz s SER 12 Ca 0.15 1.16 0.26 0.00 1.31 0.00 0.00 55.95 58.82 1bqz s SER 12 Cb -0.01 -2.32 1.36 0.00 0.21 0.00 0.00 66.02 65.26 1bqz s SER 12 CO 0.09 -0.15 1.77 0.07 0.41 0.00 0.00 173.24 175.44 1bqz h LYS 13 N 2.41 0.00 -0.32 12.44 2.10 -1.88 2.17 116.57 133.49 1bqz h LYS 13 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1bqz h LYS 13 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1bqz h LYS 13 CO 0.67 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.37 1bqz n THR 14 N -3.00 2.24 0.00 0.07 -2.24 -1.26 -3.04 114.28 107.06 1bqz n THR 14 Ca 0.01 -1.74 0.00 0.00 -2.27 0.00 0.00 64.05 60.05 1bqz n THR 14 Cb 0.55 -0.19 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 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 -0.25 0.00 -3.63 6.98 0.00 0.73 -5.04 120.51 119.30 1bqz n ALA 15 Ca 0.22 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.61 1bqz n ALA 15 Cb 0.90 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.28 1bqz n ALA 15 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1bqz s GLU 16 N 0.00 0.57 0.24 0.00 0.41 -1.26 -4.98 118.70 113.68 1bqz s GLU 16 Ca 0.00 1.03 0.05 0.00 -0.41 0.00 0.00 54.97 55.64 1bqz s GLU 16 Cb 0.00 0.19 0.66 0.00 -1.78 0.00 0.00 34.13 33.21 1bqz s GLU 16 CO 0.00 -0.13 1.15 -0.85 -0.49 0.00 0.00 175.26 174.95 1bqz n GLU 17 N 4.24 -0.06 -0.23 1.61 0.28 -1.26 0.19 120.64 125.41 1bqz n GLU 17 Ca -0.18 1.08 0.02 0.00 -0.16 0.00 0.00 57.16 57.91 1bqz n GLU 17 Cb 0.57 -1.77 0.14 0.00 1.43 0.00 0.00 31.44 31.81 1bqz n GLU 17 CO 0.00 0.00 0.00 0.07 -0.16 0.00 0.00 177.13 177.04 1bqz h ARG 18 N 0.00 0.47 0.00 3.44 -0.00 -1.98 2.24 114.38 118.55 1bqz h ARG 18 Ca 0.49 -0.03 0.00 0.00 -0.00 0.00 0.00 59.98 60.44 1bqz h ARG 18 Cb 1.09 -0.11 0.00 0.00 -0.00 0.00 0.00 29.97 30.96 1bqz h ARG 18 CO -0.66 0.31 -0.47 1.05 -0.00 0.00 0.00 179.97 180.20 1bqz h GLU 19 N 0.48 0.00 0.03 0.08 4.11 -0.67 -1.78 114.58 116.83 1bqz h GLU 19 Ca 0.35 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.77 1bqz h GLU 19 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1bqz h GLU 19 CO -0.32 0.00 -0.01 0.82 0.07 0.00 0.00 179.01 179.57 1bqz h ILE 20 N 0.00 1.38 -0.69 -1.06 5.03 0.16 -1.23 117.51 121.10 1bqz h ILE 20 Ca 0.00 -1.74 -0.01 0.00 -0.12 0.00 0.00 64.86 62.99 1bqz h ILE 20 Cb 0.91 2.47 -0.03 0.00 -3.03 0.00 0.00 36.82 37.13 1bqz h ILE 20 CO 0.00 0.42 0.37 0.08 -0.68 0.00 0.00 178.15 178.34 1bqz h ARG 21 N -0.86 0.95 0.08 2.37 -0.00 0.35 -2.51 114.38 114.76 1bqz h ARG 21 Ca -0.00 -0.10 0.01 0.00 -0.00 0.00 0.00 59.98 59.89 1bqz h ARG 21 Cb 0.71 -0.19 -0.02 0.00 -0.00 0.00 0.00 29.97 30.47 1bqz h ARG 21 CO 0.01 0.70 -0.15 -0.22 -0.00 0.00 0.00 179.97 180.31 1bqz h LYS 22 N 0.96 -0.28 -0.75 0.08 1.63 -1.29 0.54 116.57 117.46 1bqz h LYS 22 Ca 0.24 0.02 0.12 0.00 -0.85 0.00 0.00 60.65 60.19 1bqz h LYS 22 Cb 0.03 0.06 -0.09 0.00 -0.60 0.00 0.00 32.23 31.64 1bqz h LYS 22 CO -0.04 -0.19 0.33 0.00 -3.45 0.00 0.00 179.45 176.11 1bqz h ALA 23 N 0.59 1.05 -0.09 5.00 0.00 -0.78 0.81 119.26 125.84 1bqz h ALA 23 Ca 0.03 0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 1bqz h ALA 23 Cb 0.31 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 1bqz h ALA 23 CO -0.09 -0.14 -0.14 -0.92 0.00 0.00 0.00 179.25 177.95 1bqz h TYR 24 N 0.51 0.31 -0.46 0.00 3.20 -1.27 -1.76 116.97 117.50 1bqz h TYR 24 Ca 0.40 -0.11 0.13 0.00 3.14 0.00 0.00 58.73 62.29 1bqz h TYR 24 Cb 0.54 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.73 1bqz h TYR 24 CO -0.14 0.74 0.44 0.87 -1.64 0.00 0.00 178.16 178.43 1bqz h LYS 25 N -0.20 0.00 0.02 1.82 6.56 0.14 2.40 116.57 127.30 1bqz h LYS 25 Ca 0.01 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.60 1bqz h LYS 25 Cb 0.71 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.37 1bqz h LYS 25 CO 0.03 0.00 -0.01 0.00 -2.06 0.00 0.00 179.45 177.41 1bqz h ARG 26 N 0.00 -0.02 0.16 3.15 3.08 0.12 -2.49 114.38 118.38 1bqz h ARG 26 Ca 0.22 0.00 -0.30 0.00 0.07 0.00 0.00 59.98 59.98 1bqz h ARG 26 Cb 1.09 0.01 0.02 0.00 0.08 0.00 0.00 29.97 31.17 1bqz h ARG 26 CO -0.00 0.72 -1.30 1.37 -1.07 0.00 0.00 179.97 179.68 1bqz h LEU 27 N -0.93 0.63 -0.56 3.04 8.10 -0.45 -2.62 115.31 122.52 1bqz h LEU 27 Ca -0.00 -0.65 -0.01 0.00 0.11 0.00 0.00 57.88 57.33 1bqz h LEU 27 Cb 0.75 -0.20 -0.03 0.00 -0.44 0.00 0.00 40.66 40.74 1bqz h LEU 27 CO 0.00 1.50 0.30 0.00 -4.11 0.00 0.00 178.44 176.13 1bqz h ALA 28 N 0.42 0.71 0.00 0.17 0.00 0.39 2.25 119.26 123.20 1bqz h ALA 28 Ca -0.18 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1bqz h ALA 28 Cb 2.00 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 1bqz h ALA 28 CO 0.23 0.23 -0.28 0.00 0.00 0.00 0.00 179.25 179.44 1bqz h MET 29 N 0.75 0.00 0.00 0.00 -0.00 -1.51 0.83 114.93 115.00 1bqz h MET 29 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.90 1bqz h MET 29 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.65 1bqz h MET 29 CO -0.03 0.28 -0.63 0.87 -0.00 0.00 0.00 176.91 177.39 1bqz h LYS 30 N 0.00 0.00 -0.00 -0.10 1.57 -0.66 -3.33 116.57 114.05 1bqz h LYS 30 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1bqz h LYS 30 Cb 0.73 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.04 1bqz h LYS 30 CO 0.04 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.58 1bqz n TYR 31 N -2.18 0.00 0.00 -1.35 4.01 0.74 -4.85 117.16 113.54 1bqz n TYR 31 Ca 0.03 -0.47 0.00 0.00 -0.16 0.00 0.00 57.90 57.30 1bqz n TYR 31 Cb 0.45 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 39.43 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 -0.46 0.00 -0.40 -0.72 1.44 0.28 -3.77 115.22 111.60 1bqz n HIS 32 Ca 0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.67 1bqz n HIS 32 Cb 0.24 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.28 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 0.80 -0.12 -1.40 -0.04 -1.26 -3.24 135.00 129.74 1bqz n PRO 33 Ca 0.00 -0.36 -0.22 0.00 -0.04 0.00 0.00 63.50 62.88 1bqz n PRO 33 Cb 0.00 -1.63 -0.12 0.00 -0.04 0.00 0.00 33.50 31.71 1bqz n PRO 33 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1bqz n ASP 34 N 2.58 1.98 0.00 3.54 2.03 -1.26 -4.81 116.55 120.62 1bqz n ASP 34 Ca 0.15 0.09 0.00 0.00 0.52 0.00 0.00 54.79 55.55 1bqz n ASP 34 Cb 0.37 -0.63 0.00 0.00 -0.72 0.00 0.00 41.12 40.14 1bqz n ASP 34 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1bqz n ARG 35 N -3.68 0.61 -0.26 -0.67 -4.01 -1.22 -4.82 116.66 102.61 1bqz n ARG 35 Ca -0.46 0.00 0.33 0.00 -1.04 0.00 0.00 57.85 56.68 1bqz n ARG 35 Cb 0.94 -0.45 0.73 0.00 -3.04 0.00 0.00 32.46 30.64 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 0.00 0.04 2.89 2.35 -1.64 1.33 115.58 120.55 1bqz h ASN 36 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1bqz h ASN 36 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 1bqz h ASN 36 CO 0.00 0.00 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 1bqz n GLN 37 N -4.08 0.10 -0.66 0.81 1.13 -1.26 -1.14 117.38 112.27 1bqz n GLN 37 Ca 0.23 0.58 0.06 0.00 -1.94 0.00 0.00 57.00 55.93 1bqz n GLN 37 Cb 1.18 -1.82 0.13 0.00 0.11 0.00 0.00 30.24 29.85 1bqz n GLN 37 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bqz n GLY 38 N -1.28 3.73 2.96 1.08 0.00 0.46 -5.00 105.19 107.13 1bqz n GLY 38 Ca -0.01 -1.04 -0.29 0.00 0.00 0.00 0.00 46.02 44.69 1bqz n GLY 38 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1bqz s ASP 39 N -2.66 2.61 0.00 1.61 2.15 -0.29 -5.11 116.67 114.98 1bqz s ASP 39 Ca 0.32 -0.49 0.00 0.00 0.43 0.00 0.00 52.55 52.80 1bqz s ASP 39 Cb 0.31 -1.03 0.00 0.00 -0.30 0.00 0.00 42.92 41.90 1bqz s ASP 39 CO -0.06 -0.11 0.00 1.17 -0.17 0.00 0.00 175.17 176.00 1bqz n LYS 40 N 4.84 1.42 0.00 4.34 4.81 -1.26 -4.20 118.16 128.11 1bqz n LYS 40 Ca -0.14 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 1bqz n LYS 40 Cb 0.49 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.54 1bqz n LYS 40 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1bqz n GLU 41 N 0.00 0.00 -0.04 1.64 0.28 -1.26 0.30 120.64 121.57 1bqz n GLU 41 Ca 0.00 0.00 0.22 0.00 -0.16 0.00 0.00 57.16 57.22 1bqz n GLU 41 Cb 0.00 0.00 0.50 0.00 1.43 0.00 0.00 31.44 33.37 1bqz n GLU 41 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1bqz h ALA 42 N 0.00 2.53 -0.98 -1.84 0.00 -2.02 0.26 119.26 117.22 1bqz h ALA 42 Ca 0.00 -0.02 0.32 0.00 0.00 0.00 0.00 54.91 55.21 1bqz h ALA 42 Cb 0.00 0.05 -0.16 0.00 0.00 0.00 0.00 17.79 17.68 1bqz h ALA 42 CO 0.00 -1.28 0.44 1.49 0.00 0.00 0.00 179.25 179.90 1bqz h GLU 43 N 0.00 0.19 0.44 0.00 4.81 0.45 -1.52 114.58 118.94 1bqz h GLU 43 Ca 0.33 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.52 1bqz h GLU 43 Cb 2.18 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 31.52 1bqz h GLU 43 CO -0.00 0.12 -0.21 0.00 -0.73 0.00 0.00 179.01 178.19 1bqz h ALA 44 N 1.89 -1.15 -0.84 2.92 0.00 -0.71 0.13 119.26 121.49 1bqz h ALA 44 Ca 0.71 -0.13 0.24 0.00 0.00 0.00 0.00 54.91 55.74 1bqz h ALA 44 Cb 1.65 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 19.65 1bqz h ALA 44 CO -0.69 -1.11 0.91 -0.22 0.00 0.00 0.00 179.25 178.15 1bqz h LYS 45 N -0.59 0.00 -0.01 0.00 3.64 -1.49 3.41 116.57 121.54 1bqz h LYS 45 Ca -0.06 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 1bqz h LYS 45 Cb 0.45 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1bqz h LYS 45 CO 0.09 0.00 -0.29 0.74 -2.27 0.00 0.00 179.45 177.72 1bqz h PHE 46 N 0.00 0.31 0.00 1.91 0.04 -0.64 -3.16 116.94 115.40 1bqz h PHE 46 Ca 0.40 -0.16 -0.04 0.00 2.80 0.00 0.00 57.97 60.97 1bqz h PHE 46 Cb 2.22 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 40.33 1bqz h PHE 46 CO 0.00 0.96 -0.95 1.57 -0.60 0.00 0.00 178.31 179.29 1bqz h LYS 47 N -0.43 0.00 -0.97 1.51 5.09 0.17 -3.26 116.57 118.69 1bqz h LYS 47 Ca -0.04 0.00 0.20 0.00 0.09 0.00 0.00 60.65 60.91 1bqz h LYS 47 Cb 1.04 0.00 -0.09 0.00 0.10 0.00 0.00 32.23 33.28 1bqz h LYS 47 CO 0.06 0.08 0.62 0.93 -2.09 0.00 0.00 179.45 179.04 1bqz h GLU 48 N 0.00 0.55 -0.84 0.07 4.39 0.60 1.24 114.58 120.59 1bqz h GLU 48 Ca -0.03 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 1bqz h GLU 48 Cb 1.14 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 29.62 1bqz h GLU 48 CO 0.01 0.37 0.46 0.82 -1.16 0.00 0.00 179.01 179.50 1bqz h ILE 49 N 0.57 1.25 0.00 3.13 2.04 -1.58 0.36 117.51 123.27 1bqz h ILE 49 Ca 0.53 -0.63 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1bqz h ILE 49 Cb 1.08 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1bqz h ILE 49 CO -0.28 0.28 0.00 1.17 0.00 0.00 0.00 178.15 179.32 1bqz n LYS 50 N -4.37 0.03 0.06 2.37 4.81 0.42 -1.52 118.16 119.95 1bqz n LYS 50 Ca 0.08 0.34 -0.18 0.00 -0.87 0.00 0.00 58.31 57.68 1bqz n LYS 50 Cb 0.10 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 33.51 1bqz n LYS 50 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 1bqz h GLU 51 N 0.00 0.28 -0.93 1.64 4.57 -0.36 -3.30 114.58 116.47 1bqz h GLU 51 Ca 0.00 -0.48 0.27 0.00 -1.18 0.00 0.00 59.36 57.97 1bqz h GLU 51 Cb 0.10 0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 28.83 1bqz h GLU 51 CO 0.00 1.15 1.06 0.00 -1.18 0.00 0.00 179.01 180.03 1bqz h ALA 52 N 0.38 2.82 -0.27 2.92 0.00 -1.21 1.40 119.26 125.30 1bqz h ALA 52 Ca -0.29 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 1bqz h ALA 52 Cb 2.04 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.89 1bqz h ALA 52 CO 0.16 -1.54 -0.38 1.88 0.00 0.00 0.00 179.25 179.37 1bqz h TYR 53 N 0.00 0.74 0.00 0.00 -1.99 -1.71 0.16 116.97 114.16 1bqz h TYR 53 Ca 0.44 -0.21 0.00 0.00 2.00 0.00 0.00 58.73 60.97 1bqz h TYR 53 Cb 2.55 -0.16 0.00 0.00 2.00 0.00 0.00 36.73 41.12 1bqz h TYR 53 CO 0.00 0.91 0.00 0.39 -0.00 0.00 0.00 178.16 179.46 1bqz n GLU 54 N -4.04 0.16 -0.11 4.88 1.02 0.48 0.62 120.64 123.64 1bqz n GLU 54 Ca -0.01 0.58 -0.19 0.00 -0.02 0.00 0.00 57.16 57.52 1bqz n GLU 54 Cb 0.51 -1.95 -0.07 0.00 -0.02 0.00 0.00 31.44 29.91 1bqz n GLU 54 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1bqz n VAL 55 N -2.27 1.51 0.04 2.62 3.14 -0.55 -4.50 118.33 118.32 1bqz n VAL 55 Ca -0.01 -0.11 -0.02 0.00 -2.96 0.00 0.00 64.34 61.24 1bqz n VAL 55 Cb 0.09 -2.11 -0.08 0.00 -1.06 0.00 0.00 33.84 30.67 1bqz n VAL 55 CO 0.00 0.00 0.00 0.17 -6.46 0.00 0.00 176.83 170.54 1bqz h LEU 56 N -1.00 0.00 -2.64 6.55 8.10 -0.89 1.73 115.31 127.16 1bqz h LEU 56 Ca -0.35 0.00 -0.15 0.00 0.11 0.00 0.00 57.88 57.49 1bqz h LEU 56 Cb 1.28 0.00 -0.09 0.00 -0.44 0.00 0.00 40.66 41.41 1bqz h LEU 56 CO -0.21 0.71 0.19 0.35 -4.11 0.00 0.00 178.44 175.37 1bqz n THR 57 N -3.03 1.74 -3.70 0.15 -2.24 0.20 -4.39 114.28 103.01 1bqz n THR 57 Ca -0.08 -0.79 -0.24 0.00 -2.27 0.00 0.00 64.05 60.67 1bqz n THR 57 Cb 0.88 -0.63 -0.17 0.00 -2.10 0.00 0.00 70.33 68.31 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 1.90 0.61 3.42 1.01 -1.25 -4.91 116.67 117.29 1bqz s ASP 58 Ca 0.26 -0.31 0.26 0.00 0.71 0.00 0.00 52.55 53.47 1bqz s ASP 58 Cb 0.21 -0.34 0.90 0.00 1.01 0.00 0.00 42.92 44.70 1bqz s ASP 58 CO 0.06 -0.27 1.29 -1.28 0.21 0.00 0.00 175.17 175.18 1bqz h SER 59 N 8.37 0.00 0.08 0.27 0.87 -1.88 0.18 113.55 121.44 1bqz h SER 59 Ca -0.16 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.40 1bqz h SER 59 Cb 1.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 1bqz h SER 59 CO 0.25 0.00 -0.04 1.56 -0.53 0.00 0.00 176.83 178.08 1bqz h GLN 60 N 0.00 -0.10 0.00 2.24 4.20 -1.94 -3.09 115.11 116.42 1bqz h GLN 60 Ca 0.48 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.20 1bqz h GLN 60 Cb 2.91 0.02 0.00 0.00 0.30 0.00 0.00 27.48 30.72 1bqz h GLN 60 CO -0.01 -0.07 0.00 1.57 -0.67 0.00 0.00 178.83 179.66 1bqz h LYS 61 N -0.38 0.00 0.00 1.46 -0.00 -1.41 -2.27 116.57 113.97 1bqz h LYS 61 Ca -0.01 0.00 -0.23 0.00 -0.00 0.00 0.00 60.65 60.41 1bqz h LYS 61 Cb 0.08 0.00 -0.04 0.00 -0.00 0.00 0.00 32.23 32.27 1bqz h LYS 61 CO 0.02 0.00 -1.18 0.07 -0.00 0.00 0.00 179.45 178.36 1bqz h ARG 62 N 0.00 0.00 0.00 0.07 0.11 0.57 -1.76 114.38 113.37 1bqz h ARG 62 Ca 0.00 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1bqz h ARG 62 Cb 0.73 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.81 1bqz h ARG 62 CO 0.00 0.87 -0.97 0.00 0.10 0.00 0.00 179.97 179.97 1bqz h ALA 63 N 1.00 0.50 0.14 0.08 0.00 -1.54 -3.05 119.26 116.39 1bqz h ALA 63 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.48 1bqz h ALA 63 Cb 1.83 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1bqz h ALA 63 CO 0.12 0.00 -1.85 0.00 0.00 0.00 0.00 179.25 177.52 1bqz h ALA 64 N 2.04 0.32 0.00 0.00 0.00 -1.46 -3.37 119.26 116.79 1bqz h ALA 64 Ca 0.00 -1.29 -0.15 0.00 0.00 0.00 0.00 54.91 53.47 1bqz h ALA 64 Cb 0.98 0.62 -0.02 0.00 0.00 0.00 0.00 17.79 19.37 1bqz h ALA 64 CO 0.00 1.16 -0.73 1.88 0.00 0.00 0.00 179.25 181.56 1bqz h TYR 65 N 0.00 0.00 0.00 0.00 -1.99 -1.47 0.30 116.97 113.82 1bqz h TYR 65 Ca -0.39 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.34 1bqz h TYR 65 Cb 2.00 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.73 1bqz h TYR 65 CO 0.09 0.73 0.00 0.38 -0.00 0.00 0.00 178.16 179.36 1bqz h ASP 66 N 0.00 0.00 0.00 3.88 2.03 -1.44 -2.64 116.42 118.24 1bqz h ASP 66 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 1bqz h ASP 66 Cb 1.40 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.90 1bqz h ASP 66 CO 0.09 0.00 -0.10 0.00 -1.03 0.00 0.00 179.24 178.20 1bqz n GLN 67 N -2.43 0.47 -3.55 4.15 1.13 -1.13 -4.42 117.38 111.59 1bqz n GLN 67 Ca -0.01 -0.83 -0.26 0.00 -1.94 0.00 0.00 57.00 53.96 1bqz n GLN 67 Cb 0.10 -0.61 -0.00 0.00 0.11 0.00 0.00 30.24 29.83 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 -0.13 -1.84 0.00 1.08 4.01 0.74 -4.06 117.16 116.95 1bqz n TYR 68 Ca 0.01 0.57 0.00 0.00 -0.16 0.00 0.00 57.90 58.32 1bqz n TYR 68 Cb 0.51 -3.09 0.00 0.00 -0.31 0.00 0.00 39.34 36.46 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 -1.27 0.98 0.00 2.72 0.00 0.63 -4.49 105.19 103.76 1bqz n GLY 69 Ca 0.01 -1.78 0.06 0.00 0.00 0.00 0.00 46.02 44.30 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 0.97 0.00 -0.34 1.61 1.44 -1.26 -2.70 115.22 114.94 1bqz n HIS 70 Ca 0.00 0.00 -0.04 0.00 -2.01 0.00 0.00 57.72 55.67 1bqz n HIS 70 Cb 0.00 -0.40 0.09 0.00 0.12 0.00 0.00 29.99 29.80 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 2.46 1.18 -0.00 1.59 0.00 -1.79 0.23 119.26 122.92 1bqz h ALA 71 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1bqz h ALA 71 Cb 0.15 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 1bqz h ALA 71 CO 0.00 0.67 0.01 0.00 0.00 0.00 0.00 179.25 179.93 1bqz h ALA 72 N 1.29 1.02 -0.00 0.00 0.00 -1.65 -0.63 119.26 119.29 1bqz h ALA 72 Ca 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1bqz h ALA 72 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1bqz h ALA 72 CO -0.06 -0.01 -0.48 1.19 0.00 0.00 0.00 179.25 179.89 1bqz n PHE 73 N -3.09 0.00 -3.44 0.00 3.01 -0.26 -4.89 117.46 108.79 1bqz n PHE 73 Ca -0.03 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.26 1bqz n PHE 73 Cb 0.08 0.00 -0.11 0.00 -0.01 0.00 0.00 39.48 39.44 1bqz n PHE 73 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1bqz s GLU 74 N -1.97 0.27 0.06 -1.08 2.02 0.63 -4.98 118.70 113.65 1bqz s GLU 74 Ca 0.06 0.05 0.00 0.00 0.02 0.00 0.00 54.97 55.10 1bqz s GLU 74 Cb 0.09 -0.89 0.00 0.00 0.10 0.00 0.00 34.13 33.43 1bqz s GLU 74 CO 0.44 -0.84 0.00 1.04 0.02 0.00 0.00 175.26 175.92 1bqz n GLN 75 N 5.32 0.00 0.00 1.61 6.02 -1.24 -4.32 117.38 124.77 1bqz n GLN 75 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.95 1bqz n GLN 75 Cb 0.48 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.74 1bqz n GLN 75 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bqz n GLY 76 N -1.06 1.97 0.00 1.08 0.00 -1.26 -5.19 105.19 100.73 1bqz n GLY 76 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1bqz n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93