#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 3.91 -0.32 0.00 1.02 -1.26 -4.98 119.74 118.11 1bqz s LYS 2 Ca 0.00 1.28 0.00 0.00 0.02 0.00 0.00 55.97 57.28 1bqz s LYS 2 Cb 0.00 -3.89 0.10 0.00 -0.52 0.00 0.00 37.83 33.52 1bqz s LYS 2 CO 0.00 -1.13 0.09 -1.14 -0.92 0.00 0.00 175.35 172.25 1bqz s GLN 3 N 4.21 0.91 -0.04 1.68 0.74 -1.26 -5.02 119.66 120.88 1bqz s GLN 3 Ca 0.57 -1.29 -0.02 0.00 0.05 0.00 0.00 55.36 54.68 1bqz s GLN 3 Cb -0.17 -2.27 0.02 0.00 1.10 0.00 0.00 33.01 31.69 1bqz s GLN 3 CO 0.24 -0.98 0.08 0.34 -0.55 0.00 0.00 175.29 174.41 1bqz s ASP 4 N 1.40 -0.04 0.16 6.67 2.15 -1.26 -5.00 116.67 120.76 1bqz s ASP 4 Ca 0.10 0.15 -0.31 0.00 0.43 0.00 0.00 52.55 52.93 1bqz s ASP 4 Cb -0.18 0.08 -0.06 0.00 -0.30 0.00 0.00 42.92 42.47 1bqz s ASP 4 CO -0.20 -0.10 1.54 1.88 -0.17 0.00 0.00 175.17 178.12 1bqz h TYR 5 N 6.83 -1.78 -0.68 -5.34 0.05 -1.94 4.23 116.97 118.35 1bqz h TYR 5 Ca -0.37 0.11 0.20 0.00 0.05 0.00 0.00 58.73 58.72 1bqz h TYR 5 Cb 1.16 0.89 -0.03 0.00 1.01 0.00 0.00 36.73 39.76 1bqz h TYR 5 CO 0.45 -0.41 0.69 1.88 -1.05 0.00 0.00 178.16 179.72 1bqz h TYR 6 N -0.11 0.00 0.04 4.88 0.05 -1.89 2.15 116.97 122.09 1bqz h TYR 6 Ca 0.15 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.63 1bqz h TYR 6 Cb 0.47 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.18 1bqz h TYR 6 CO -0.93 0.00 -1.69 1.49 -1.05 0.00 0.00 178.16 175.98 1bqz h GLU 7 N 0.00 0.09 -0.60 4.88 4.81 0.64 0.67 114.58 125.06 1bqz h GLU 7 Ca 0.32 -0.16 0.09 0.00 -0.13 0.00 0.00 59.36 59.49 1bqz h GLU 7 Cb 1.69 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 31.05 1bqz h GLU 7 CO -0.00 0.77 0.22 0.82 -0.73 0.00 0.00 179.01 180.08 1bqz h ILE 8 N 0.02 0.76 -0.25 2.32 1.08 2.12 0.55 117.51 124.12 1bqz h ILE 8 Ca -0.29 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 1bqz h ILE 8 Cb 2.00 0.33 0.00 0.00 -3.07 0.00 0.00 36.82 36.08 1bqz h ILE 8 CO 0.10 0.07 0.00 0.18 -0.69 0.00 0.00 178.15 177.81 1bqz n LEU 9 N -5.01 2.26 -3.92 1.44 4.77 -0.11 -4.88 117.00 111.55 1bqz n LEU 9 Ca 0.09 -1.14 -0.29 0.00 -0.03 0.00 0.00 56.01 54.63 1bqz n LEU 9 Cb 0.27 -0.41 0.02 0.00 -2.33 0.00 0.00 43.42 40.98 1bqz n LEU 9 CO 0.22 0.39 0.04 0.61 -1.33 0.00 0.00 177.39 177.31 1bqz n GLY 10 N 0.55 -0.44 1.60 -0.72 0.00 0.19 -4.46 105.19 101.92 1bqz n GLY 10 Ca 0.10 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.56 0.00 -3.18 1.61 0.31 0.23 -4.99 118.33 107.76 1bqz n VAL 11 Ca -0.04 -1.07 -0.37 0.00 -0.01 0.00 0.00 64.34 62.86 1bqz n VAL 11 Cb 0.56 0.23 -0.06 0.00 -0.91 0.00 0.00 33.84 33.66 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 -2.23 7.06 0.64 4.52 0.01 -1.26 -4.23 113.70 118.21 1bqz s SER 12 Ca 0.01 1.35 0.19 0.00 1.31 0.00 0.00 55.95 58.81 1bqz s SER 12 Cb 0.00 -2.39 0.95 0.00 0.21 0.00 0.00 66.02 64.79 1bqz s SER 12 CO 0.01 0.13 1.51 0.07 0.41 0.00 0.00 173.24 175.37 1bqz h LYS 13 N 3.84 0.00 -0.27 12.44 2.10 -1.99 2.50 116.57 135.19 1bqz h LYS 13 Ca -0.48 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.15 1bqz h LYS 13 Cb 1.20 0.00 -0.01 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 -2.95 2.31 0.00 0.07 -2.24 -1.26 -4.73 114.28 105.48 1bqz n THR 14 Ca 0.05 -1.96 0.00 0.00 -2.27 0.00 0.00 64.05 59.86 1bqz n THR 14 Cb 0.82 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.59 0.00 -3.00 6.98 0.00 0.84 -5.07 120.51 119.66 1bqz n ALA 15 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1bqz n ALA 15 Cb 0.91 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.36 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 -0.07 0.00 1.02 -1.26 -4.99 120.64 115.34 1bqz n GLU 16 Ca 0.00 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 56.92 1bqz n GLU 16 Cb 0.00 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.30 1bqz n GLU 16 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1bqz n GLU 17 N 0.00 0.63 0.26 3.49 0.28 -1.26 -3.44 120.64 120.60 1bqz n GLU 17 Ca 0.00 0.46 0.17 0.00 -0.16 0.00 0.00 57.16 57.63 1bqz n GLU 17 Cb 0.00 -1.72 0.91 0.00 1.43 0.00 0.00 31.44 32.07 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 -0.65 0.00 0.00 3.44 0.11 -1.98 0.51 114.38 115.80 1bqz h ARG 18 Ca -0.40 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.68 1bqz h ARG 18 Cb 1.56 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.64 1bqz h ARG 18 CO -0.13 0.00 -1.74 -0.85 0.10 0.00 0.00 179.97 177.35 1bqz n GLU 19 N -2.70 0.58 -0.05 0.08 0.28 -1.26 -3.14 120.64 114.43 1bqz n GLU 19 Ca -0.02 -0.13 -0.01 0.00 -0.16 0.00 0.00 57.16 56.84 1bqz n GLU 19 Cb 0.09 -1.56 -0.00 0.00 1.43 0.00 0.00 31.44 31.40 1bqz n GLU 19 CO 0.00 0.00 0.00 0.82 -0.16 0.00 0.00 177.13 177.79 1bqz h ILE 20 N 0.00 0.00 -0.66 3.84 5.03 -0.42 0.98 117.51 126.29 1bqz h ILE 20 Ca 0.00 -0.89 0.16 0.00 -0.12 0.00 0.00 64.86 64.01 1bqz h ILE 20 Cb 0.95 0.00 -0.03 0.00 -3.03 0.00 0.00 36.82 34.70 1bqz h ILE 20 CO 0.00 0.00 0.46 0.08 -0.68 0.00 0.00 178.15 178.01 1bqz h ARG 21 N -0.89 0.17 0.03 2.37 -0.00 -0.42 -1.16 114.38 114.47 1bqz h ARG 21 Ca 0.00 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.98 59.97 1bqz h ARG 21 Cb 0.06 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 29.99 1bqz h ARG 21 CO 0.00 0.11 -0.01 -0.22 -0.00 0.00 0.00 179.97 179.85 1bqz h LYS 22 N 0.18 -0.04 -0.81 0.08 1.63 -1.59 -1.85 116.57 114.17 1bqz h LYS 22 Ca 0.32 0.00 0.20 0.00 -0.85 0.00 0.00 60.65 60.32 1bqz h LYS 22 Cb 1.01 0.01 -0.14 0.00 -0.60 0.00 0.00 32.23 32.51 1bqz h LYS 22 CO -0.05 0.66 0.10 0.00 -3.45 0.00 0.00 179.45 176.71 1bqz h ALA 23 N 0.04 0.99 -0.05 5.00 0.00 0.22 0.45 119.26 125.91 1bqz h ALA 23 Ca -0.00 0.24 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 1bqz h ALA 23 Cb 0.72 0.38 0.01 0.00 0.00 0.00 0.00 17.79 18.89 1bqz h ALA 23 CO 0.01 -0.44 -0.42 -0.92 0.00 0.00 0.00 179.25 177.48 1bqz h TYR 24 N 0.15 0.52 -1.03 0.00 3.20 -1.51 -2.77 116.97 115.53 1bqz h TYR 24 Ca 0.47 -0.25 0.26 0.00 3.14 0.00 0.00 58.73 62.36 1bqz h TYR 24 Cb 0.89 -0.07 -0.10 0.00 1.54 0.00 0.00 36.73 38.99 1bqz h TYR 24 CO -0.36 1.02 0.66 0.87 -1.64 0.00 0.00 178.16 178.71 1bqz h LYS 25 N -0.12 0.41 0.02 1.82 1.57 0.09 2.56 116.57 122.93 1bqz h LYS 25 Ca -0.04 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1bqz h LYS 25 Cb 1.10 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.31 1bqz h LYS 25 CO 0.09 0.27 -0.01 0.00 -0.57 0.00 0.00 179.45 179.23 1bqz h ARG 26 N 0.43 -0.03 0.09 3.15 2.47 -0.14 -1.95 114.38 118.40 1bqz h ARG 26 Ca 0.60 0.00 -0.25 0.00 -1.26 0.00 0.00 59.98 59.07 1bqz h ARG 26 Cb 1.45 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.78 1bqz h ARG 26 CO -0.32 0.64 -1.14 1.37 0.56 0.00 0.00 179.97 181.08 1bqz h LEU 27 N -0.74 0.37 -0.41 3.04 8.10 -1.05 -2.60 115.31 122.03 1bqz h LEU 27 Ca -0.00 -0.37 -0.10 0.00 0.11 0.00 0.00 57.88 57.51 1bqz h LEU 27 Cb 0.68 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.77 1bqz h LEU 27 CO 0.00 1.26 -0.14 0.00 -4.11 0.00 0.00 178.44 175.46 1bqz h ALA 28 N 0.69 0.57 0.00 0.17 0.00 0.43 1.32 119.26 122.43 1bqz h ALA 28 Ca -0.10 -0.34 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1bqz h ALA 28 Cb 1.86 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 1bqz h ALA 28 CO 0.18 0.47 -0.15 0.00 0.00 0.00 0.00 179.25 179.76 1bqz h MET 29 N 0.63 0.00 0.00 0.00 -0.00 -1.42 0.60 114.93 114.74 1bqz h MET 29 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.79 1bqz h MET 29 Cb 0.68 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 32.28 1bqz h MET 29 CO 0.05 0.15 -0.85 0.87 -0.00 0.00 0.00 176.91 177.13 1bqz h LYS 30 N 0.00 0.00 -0.19 -0.10 1.57 -0.92 -3.33 116.57 113.60 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 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.98 1bqz h LYS 30 CO 0.02 0.02 0.00 0.66 -0.57 0.00 0.00 179.45 179.58 1bqz n TYR 31 N -2.77 0.25 0.00 -1.35 4.01 0.45 -4.80 117.16 112.94 1bqz n TYR 31 Ca 0.00 -0.35 0.00 0.00 -0.16 0.00 0.00 57.90 57.39 1bqz n TYR 31 Cb 0.56 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 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 0.35 0.00 -0.40 -0.72 1.44 0.20 -3.90 115.22 112.19 1bqz n HIS 32 Ca 0.08 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.72 1bqz n HIS 32 Cb 0.34 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.40 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 0.91 -0.07 -1.40 -0.04 -1.26 -3.28 135.00 129.86 1bqz n PRO 33 Ca 0.00 -0.58 -0.09 0.00 -0.04 0.00 0.00 63.50 62.79 1bqz n PRO 33 Cb 0.00 -1.86 -0.06 0.00 -0.04 0.00 0.00 33.50 31.54 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 3.28 2.91 0.00 3.54 2.03 -1.26 -4.86 116.55 122.20 1bqz n ASP 34 Ca 0.19 -0.07 0.00 0.00 0.52 0.00 0.00 54.79 55.44 1bqz n ASP 34 Cb 0.27 -0.15 0.00 0.00 -0.72 0.00 0.00 41.12 40.52 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 -2.86 0.99 -0.08 -0.67 -4.01 -1.21 -4.80 116.66 104.03 1bqz n ARG 35 Ca -0.23 0.00 0.26 0.00 -1.04 0.00 0.00 57.85 56.83 1bqz n ARG 35 Cb 0.76 -0.54 0.71 0.00 -3.04 0.00 0.00 32.46 30.35 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 0.16 2.89 2.35 -1.67 1.66 115.58 120.97 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 0.06 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.43 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 -3.86 0.50 0.00 0.81 1.13 -1.26 -2.32 117.38 112.38 1bqz n GLN 37 Ca 0.15 0.04 0.00 0.00 -1.94 0.00 0.00 57.00 55.25 1bqz n GLN 37 Cb 0.91 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.76 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 0.36 -0.23 3.53 1.08 0.00 0.56 -5.00 105.19 105.49 1bqz n GLY 38 Ca 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.15 1bqz n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bqz s ASP 39 N -0.28 -0.76 0.23 1.61 1.01 -0.98 -5.01 116.67 112.49 1bqz s ASP 39 Ca 0.00 1.08 0.22 0.00 0.71 0.00 0.00 52.55 54.56 1bqz s ASP 39 Cb 0.00 1.77 0.04 0.00 1.01 0.00 0.00 42.92 45.74 1bqz s ASP 39 CO 0.00 -0.15 1.12 0.50 0.21 0.00 0.00 175.17 176.85 1bqz h LYS 40 N 7.41 0.00 -1.20 8.23 3.64 -1.91 -3.31 116.57 129.43 1bqz h LYS 40 Ca -0.19 0.00 0.35 0.00 -1.27 0.00 0.00 60.65 59.54 1bqz h LYS 40 Cb 1.13 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.90 1bqz h LYS 40 CO 0.11 0.04 1.02 1.05 -2.27 0.00 0.00 179.45 179.40 1bqz h GLU 41 N 0.00 0.00 0.00 1.90 4.11 -1.95 3.07 114.58 121.71 1bqz h GLU 41 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 1bqz h GLU 41 Cb 1.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.31 1bqz h GLU 41 CO 0.01 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.09 1bqz n ALA 42 N -2.59 2.12 -0.08 1.06 0.00 -1.24 -3.66 120.51 116.11 1bqz n ALA 42 Ca 0.26 -0.05 -0.06 0.00 0.00 0.00 0.00 53.44 53.59 1bqz n ALA 42 Cb 1.40 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 19.43 1bqz n ALA 42 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1bqz h GLU 43 N 0.00 -0.12 0.60 0.00 4.81 0.54 0.31 114.58 120.72 1bqz h GLU 43 Ca 0.00 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1bqz h GLU 43 Cb 0.50 0.03 -0.00 0.00 0.63 0.00 0.00 28.75 29.91 1bqz h GLU 43 CO 0.00 -0.08 -0.35 0.00 -0.73 0.00 0.00 179.01 177.85 1bqz h ALA 44 N 1.10 -1.19 -1.17 2.92 0.00 -1.73 0.38 119.26 119.58 1bqz h ALA 44 Ca 0.16 -0.19 0.34 0.00 0.00 0.00 0.00 54.91 55.22 1bqz h ALA 44 Cb 0.37 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 18.57 1bqz h ALA 44 CO -0.40 -1.15 0.96 -0.22 0.00 0.00 0.00 179.25 178.44 1bqz h LYS 45 N -0.89 0.00 0.14 0.00 3.64 -1.71 2.32 116.57 120.07 1bqz h LYS 45 Ca -0.08 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1bqz h LYS 45 Cb 0.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.53 1bqz h LYS 45 CO 0.09 0.00 -0.07 0.35 -2.27 0.00 0.00 179.45 177.56 1bqz h PHE 46 N 0.00 -0.18 0.00 1.91 3.57 0.11 -2.49 116.94 119.86 1bqz h PHE 46 Ca 0.55 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.05 1bqz h PHE 46 Cb 2.47 0.06 0.00 0.00 2.79 0.00 0.00 35.95 41.27 1bqz h PHE 46 CO 0.00 0.18 -0.60 1.57 -2.23 0.00 0.00 178.31 177.24 1bqz h LYS 47 N -0.57 0.00 -0.35 1.11 -0.00 0.12 -2.99 116.57 113.90 1bqz h LYS 47 Ca -0.02 0.00 -0.06 0.00 -0.00 0.00 0.00 60.65 60.57 1bqz h LYS 47 Cb 0.44 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.65 1bqz h LYS 47 CO 0.03 0.00 -0.03 0.93 -0.00 0.00 0.00 179.45 180.38 1bqz h GLU 48 N 0.00 0.55 0.23 0.07 4.39 0.37 0.84 114.58 121.03 1bqz h GLU 48 Ca 0.00 -0.13 -0.01 0.00 0.34 0.00 0.00 59.36 59.56 1bqz h GLU 48 Cb 0.76 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1bqz h GLU 48 CO 0.00 0.60 -0.11 0.82 -1.16 0.00 0.00 179.01 179.16 1bqz h ILE 49 N 0.52 0.34 -0.35 3.13 2.04 -1.45 -1.93 117.51 119.82 1bqz h ILE 49 Ca 0.11 -0.92 0.10 0.00 1.00 0.00 0.00 64.86 65.15 1bqz h ILE 49 Cb 0.39 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1bqz h ILE 49 CO 0.02 0.10 0.35 0.50 0.00 0.00 0.00 178.15 179.12 1bqz h LYS 50 N -1.02 0.00 0.01 2.37 3.64 -1.36 0.38 116.57 120.60 1bqz h LYS 50 Ca -0.03 0.00 -0.20 0.00 -1.27 0.00 0.00 60.65 59.15 1bqz h LYS 50 Cb 0.39 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 1bqz h LYS 50 CO 0.05 0.00 -0.91 1.49 -2.27 0.00 0.00 179.45 177.81 1bqz h GLU 51 N 0.00 0.09 0.00 1.90 4.81 0.79 -2.99 114.58 119.17 1bqz h GLU 51 Ca 0.17 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 1bqz h GLU 51 Cb 0.87 0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.29 1bqz h GLU 51 CO -0.00 0.94 0.15 0.00 -0.73 0.00 0.00 179.01 179.36 1bqz n ALA 52 N -2.42 0.79 -0.04 2.92 0.00 0.13 -0.26 120.51 121.64 1bqz n ALA 52 Ca -0.02 0.10 -0.17 0.00 0.00 0.00 0.00 53.44 53.35 1bqz n ALA 52 Cb 0.84 -0.92 -0.06 0.00 0.00 0.00 0.00 19.45 19.31 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 1.08 0.00 0.00 -1.99 -1.57 0.28 116.97 114.77 1bqz h TYR 53 Ca 0.00 -0.45 0.00 0.00 2.00 0.00 0.00 58.73 60.28 1bqz h TYR 53 Cb 0.30 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 38.85 1bqz h TYR 53 CO 0.00 1.28 0.14 0.93 -0.00 0.00 0.00 178.16 180.51 1bqz h GLU 54 N 0.57 0.00 0.00 4.88 5.08 -0.82 0.55 114.58 124.84 1bqz h GLU 54 Ca -0.03 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.95 1bqz h GLU 54 Cb 1.32 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.51 1bqz h GLU 54 CO 0.15 0.00 -2.30 0.28 -1.00 0.00 0.00 179.01 176.14 1bqz n VAL 55 N -2.86 1.28 0.09 3.13 0.31 -0.96 -4.69 118.33 114.63 1bqz n VAL 55 Ca -0.02 -0.37 0.10 0.00 -0.01 0.00 0.00 64.34 64.03 1bqz n VAL 55 Cb 0.19 -1.67 -0.02 0.00 -0.91 0.00 0.00 33.84 31.43 1bqz n VAL 55 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1bqz n LEU 56 N -3.80 0.81 -1.63 7.52 -0.00 0.94 -1.44 117.00 119.39 1bqz n LEU 56 Ca -0.44 0.32 -0.12 0.00 -0.00 0.00 0.00 56.01 55.77 1bqz n LEU 56 Cb 0.85 -0.03 0.06 0.00 -0.00 0.00 0.00 43.42 44.30 1bqz n LEU 56 CO 0.08 -0.13 0.96 0.35 -0.00 0.00 0.00 177.39 178.65 1bqz n THR 57 N -2.69 2.19 -3.67 1.96 -2.24 0.19 -4.67 114.28 105.35 1bqz n THR 57 Ca -0.02 -1.05 -0.10 0.00 -2.27 0.00 0.00 64.05 60.61 1bqz n THR 57 Cb 0.60 -0.99 -0.11 0.00 -2.10 0.00 0.00 70.33 67.73 1bqz n THR 57 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1bqz s ASP 58 N 0.18 -0.22 0.26 3.42 2.15 -1.26 -4.97 116.67 116.22 1bqz s ASP 58 Ca 0.25 0.88 -0.02 0.00 0.43 0.00 0.00 52.55 54.08 1bqz s ASP 58 Cb 0.20 1.04 0.52 0.00 -0.30 0.00 0.00 42.92 44.38 1bqz s ASP 58 CO 0.03 -0.22 1.72 -1.28 -0.17 0.00 0.00 175.17 175.24 1bqz h SER 59 N 7.86 0.25 -0.39 -0.34 0.87 -1.90 0.31 113.55 120.22 1bqz h SER 59 Ca -0.22 0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 1bqz h SER 59 Cb 1.13 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 63.19 1bqz h SER 59 CO 0.18 0.06 0.17 -0.61 -0.53 0.00 0.00 176.83 176.11 1bqz h GLN 60 N 0.41 0.57 0.14 2.24 4.15 -1.96 0.38 115.11 121.04 1bqz h GLN 60 Ca 0.45 -0.09 -0.01 0.00 0.77 0.00 0.00 58.65 59.77 1bqz h GLN 60 Cb 0.73 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.33 1bqz h GLN 60 CO -0.45 0.52 -0.07 0.87 -1.93 0.00 0.00 178.83 177.77 1bqz h LYS 61 N 0.49 -0.18 0.00 1.69 1.79 -1.24 -0.62 116.57 118.49 1bqz h LYS 61 Ca 0.13 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.60 1bqz h LYS 61 Cb 0.15 0.04 -0.00 0.00 -1.58 0.00 0.00 32.23 30.84 1bqz h LYS 61 CO -0.01 0.08 -0.07 0.07 -1.08 0.00 0.00 179.45 178.43 1bqz h ARG 62 N -0.44 0.00 0.00 3.15 0.11 0.71 -0.37 114.38 117.54 1bqz h ARG 62 Ca -0.02 0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.93 1bqz h ARG 62 Cb 0.35 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.41 1bqz h ARG 62 CO 0.03 0.07 -0.64 0.00 0.10 0.00 0.00 179.97 179.53 1bqz h ALA 63 N 1.93 0.90 -0.22 0.08 0.00 0.22 -1.42 119.26 120.74 1bqz h ALA 63 Ca -0.00 -0.59 -0.06 0.00 0.00 0.00 0.00 54.91 54.26 1bqz h ALA 63 Cb 0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1bqz h ALA 63 CO 0.01 0.80 -0.11 0.00 0.00 0.00 0.00 179.25 179.95 1bqz h ALA 64 N 1.36 0.31 -0.32 0.00 0.00 0.51 -3.18 119.26 117.93 1bqz h ALA 64 Ca -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1bqz h ALA 64 Cb 1.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 1bqz h ALA 64 CO 0.08 0.16 0.13 -0.92 0.00 0.00 0.00 179.25 178.70 1bqz h TYR 65 N 0.17 0.49 -0.56 0.00 3.20 -1.22 -2.37 116.97 116.67 1bqz h TYR 65 Ca 0.05 -0.04 0.16 0.00 3.14 0.00 0.00 58.73 62.04 1bqz h TYR 65 Cb 0.61 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1bqz h TYR 65 CO 0.06 0.46 0.81 0.38 -1.64 0.00 0.00 178.16 178.24 1bqz h ASP 66 N 0.37 0.00 -0.12 -2.11 3.04 -1.24 2.17 116.42 118.52 1bqz h ASP 66 Ca 0.11 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.90 1bqz h ASP 66 Cb 0.18 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.47 1bqz h ASP 66 CO -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 179.24 177.19 1bqz n GLN 67 N -3.26 1.97 -1.41 4.15 1.13 -0.91 -4.93 117.38 114.12 1bqz n GLN 67 Ca 0.12 -1.84 -0.14 0.00 -1.94 0.00 0.00 57.00 53.20 1bqz n GLN 67 Cb 1.01 -1.41 -0.06 0.00 0.11 0.00 0.00 30.24 29.89 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 1.18 -0.29 0.00 1.08 4.02 0.73 -4.29 117.16 119.59 1bqz n TYR 68 Ca 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.02 1bqz n TYR 68 Cb 0.52 -2.72 0.00 0.00 -0.02 0.00 0.00 39.34 37.12 1bqz n TYR 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1bqz n GLY 69 N -0.25 2.32 0.28 2.72 0.00 -1.20 -4.63 105.19 104.44 1bqz n GLY 69 Ca -0.14 -1.74 0.13 0.00 0.00 0.00 0.00 46.02 44.27 1bqz n GLY 69 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1bqz h HIS 70 N 0.00 0.00 -0.89 1.61 2.07 -1.89 -1.81 115.15 114.24 1bqz h HIS 70 Ca 0.00 0.00 0.22 0.00 -2.85 0.00 0.00 60.37 57.74 1bqz h HIS 70 Cb 0.00 0.00 -0.13 0.00 2.57 0.00 0.00 27.41 29.85 1bqz h HIS 70 CO 0.00 0.00 0.35 0.00 -3.07 0.00 0.00 177.93 175.21 1bqz h ALA 71 N 1.38 1.39 0.00 6.11 0.00 -1.85 1.52 119.26 127.81 1bqz h ALA 71 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1bqz h ALA 71 Cb 0.57 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1bqz h ALA 71 CO 0.00 -0.38 0.29 0.00 0.00 0.00 0.00 179.25 179.16 1bqz h ALA 72 N 1.73 1.28 -1.35 0.00 0.00 -1.51 -2.92 119.26 116.48 1bqz h ALA 72 Ca 0.56 0.00 -0.42 0.00 0.00 0.00 0.00 54.91 55.04 1bqz h ALA 72 Cb 1.08 0.00 -0.31 0.00 0.00 0.00 0.00 17.79 18.56 1bqz h ALA 72 CO -0.56 -0.28 -0.93 1.19 0.00 0.00 0.00 179.25 178.67 1bqz n PHE 73 N -2.76 -1.06 -1.60 0.00 3.72 0.51 -5.11 117.46 111.15 1bqz n PHE 73 Ca -0.02 -3.13 -0.52 0.00 -0.05 0.00 0.00 57.45 53.73 1bqz n PHE 73 Cb 0.34 0.26 -0.06 0.00 -0.94 0.00 0.00 39.48 39.08 1bqz n PHE 73 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1bqz n GLU 74 N 0.86 1.22 -2.60 -1.08 1.02 -0.86 -3.89 120.64 115.30 1bqz n GLU 74 Ca 0.18 0.44 -0.03 0.00 -0.02 0.00 0.00 57.16 57.73 1bqz n GLU 74 Cb 0.62 -2.10 -0.02 0.00 -0.02 0.00 0.00 31.44 29.92 1bqz n GLU 74 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1bqz n GLN 75 N 2.80 -3.65 -1.13 3.49 3.00 -1.26 -4.68 117.38 115.94 1bqz n GLN 75 Ca 0.19 2.77 -0.19 0.00 -0.01 0.00 0.00 57.00 59.76 1bqz n GLN 75 Cb 0.19 -3.71 -0.13 0.00 0.00 0.00 0.00 30.24 26.59 1bqz n GLN 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1bqz n GLY 76 N 1.96 3.41 0.04 1.08 0.00 -1.25 -5.21 105.19 105.22 1bqz n GLY 76 Ca -0.22 -1.35 0.01 0.00 0.00 0.00 0.00 46.02 44.46 1bqz n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93