#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 -1.51 -3.64 0.00 5.02 -1.26 -4.96 118.16 111.82 1bqz n LYS 2 Ca 0.00 0.34 -0.09 0.00 -2.02 0.00 0.00 58.31 56.54 1bqz n LYS 2 Cb 0.00 -3.84 -0.07 0.00 -0.02 0.00 0.00 35.03 31.10 1bqz n LYS 2 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1bqz s GLN 3 N -6.51 0.54 -0.29 1.97 -2.07 -1.26 -5.11 119.66 106.92 1bqz s GLN 3 Ca 0.34 0.68 -0.23 0.00 -1.82 0.00 0.00 55.36 54.33 1bqz s GLN 3 Cb -0.14 0.24 0.17 0.00 -1.09 0.00 0.00 33.01 32.19 1bqz s GLN 3 CO 0.90 -0.07 1.26 0.16 -1.32 0.00 0.00 175.29 176.22 1bqz s ASP 4 N 0.41 -0.21 0.12 12.60 1.47 -1.26 -4.98 116.67 124.82 1bqz s ASP 4 Ca 0.01 0.39 -0.23 0.00 1.18 0.00 0.00 52.55 53.90 1bqz s ASP 4 Cb -0.05 0.55 -0.05 0.00 -0.34 0.00 0.00 42.92 43.02 1bqz s ASP 4 CO -0.07 -0.07 1.18 -1.22 0.68 0.00 0.00 175.17 175.68 1bqz n TYR 5 N 2.15 -0.32 -0.33 2.11 4.02 -1.26 0.46 117.16 123.98 1bqz n TYR 5 Ca -0.13 0.92 0.33 0.00 -0.01 0.00 0.00 57.90 59.02 1bqz n TYR 5 Cb 0.57 -0.55 0.71 0.00 -0.02 0.00 0.00 39.34 40.04 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 0.13 0.00 -0.72 0.05 -1.88 1.91 116.97 116.47 1bqz h TYR 6 Ca 0.12 0.00 -0.26 0.00 0.05 0.00 0.00 58.73 58.64 1bqz h TYR 6 Cb 0.30 -0.04 -0.04 0.00 1.01 0.00 0.00 36.73 37.96 1bqz h TYR 6 CO -0.81 0.00 -1.55 0.93 -1.05 0.00 0.00 178.16 175.68 1bqz h GLU 7 N 0.07 0.00 -0.75 4.88 5.08 1.01 1.11 114.58 125.99 1bqz h GLU 7 Ca 0.59 0.00 0.12 0.00 -1.00 0.00 0.00 59.36 59.06 1bqz h GLU 7 Cb 2.17 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 31.34 1bqz h GLU 7 CO -0.07 0.54 0.36 0.82 -1.00 0.00 0.00 179.01 179.65 1bqz h ILE 8 N 0.00 0.78 -0.13 3.13 1.08 1.98 1.07 117.51 125.41 1bqz h ILE 8 Ca -0.23 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 1bqz h ILE 8 Cb 1.92 0.16 0.00 0.00 -3.07 0.00 0.00 36.82 35.83 1bqz h ILE 8 CO 0.08 0.10 0.00 0.18 -0.69 0.00 0.00 178.15 177.83 1bqz n LEU 9 N -4.90 0.83 -0.39 1.44 4.77 -0.32 -4.85 117.00 113.58 1bqz n LEU 9 Ca 0.13 -0.39 -0.05 0.00 -0.03 0.00 0.00 56.01 55.67 1bqz n LEU 9 Cb 0.34 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 1bqz n LEU 9 CO 0.22 0.20 -0.05 0.61 -1.33 0.00 0.00 177.39 177.04 1bqz n GLY 10 N 0.82 0.68 3.84 -0.72 0.00 0.37 -4.49 105.19 105.68 1bqz n GLY 10 Ca 0.08 -0.83 -0.26 0.00 0.00 0.00 0.00 46.02 45.02 1bqz n GLY 10 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1bqz s VAL 11 N -2.18 1.91 0.32 1.61 -7.23 0.38 -4.93 120.40 110.27 1bqz s VAL 11 Ca 0.00 -1.59 -0.11 0.00 -1.81 0.00 0.00 61.98 58.47 1bqz s VAL 11 Cb 0.00 -2.50 -0.07 0.00 0.56 0.00 0.00 36.38 34.37 1bqz s VAL 11 CO 0.00 0.00 0.67 -0.94 -0.31 0.00 0.00 175.10 174.52 1bqz s SER 12 N -4.11 6.62 0.66 4.85 1.04 -1.24 -2.71 113.70 118.81 1bqz s SER 12 Ca 0.34 1.07 0.28 0.00 0.48 0.00 0.00 55.95 58.13 1bqz s SER 12 Cb -0.00 -2.29 1.54 0.00 0.10 0.00 0.00 66.02 65.37 1bqz s SER 12 CO 0.20 -0.23 1.87 0.07 0.98 0.00 0.00 173.24 176.14 1bqz h LYS 13 N 1.96 0.00 -0.57 4.02 2.10 -1.87 2.38 116.57 124.59 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 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1bqz h LYS 13 CO 0.66 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.36 1bqz n THR 14 N -2.89 1.43 0.00 0.07 -2.24 -1.26 -3.35 114.28 106.04 1bqz n THR 14 Ca -0.02 -1.16 0.00 0.00 -2.27 0.00 0.00 64.05 60.61 1bqz n THR 14 Cb 0.42 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.94 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 0.98 0.00 -3.64 6.98 0.00 0.80 -5.06 120.51 120.57 1bqz n ALA 15 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.62 1bqz n ALA 15 Cb 0.70 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 20.08 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 0.43 0.05 0.00 0.41 -1.26 -4.98 118.70 113.34 1bqz s GLU 16 Ca 0.00 0.70 -0.10 0.00 -0.41 0.00 0.00 54.97 55.16 1bqz s GLU 16 Cb 0.00 0.10 -0.02 0.00 -1.78 0.00 0.00 34.13 32.43 1bqz s GLU 16 CO 0.00 -0.08 0.71 -1.91 -0.49 0.00 0.00 175.26 173.49 1bqz n GLU 17 N 3.54 -0.14 -0.30 1.61 2.13 -1.26 -0.69 120.64 125.54 1bqz n GLU 17 Ca -0.18 0.70 0.02 0.00 0.66 0.00 0.00 57.16 58.36 1bqz n GLU 17 Cb 0.57 -1.03 0.07 0.00 0.27 0.00 0.00 31.44 31.32 1bqz n GLU 17 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1bqz n ARG 18 N -3.81 -0.13 0.14 5.31 1.85 -1.26 0.31 116.66 119.07 1bqz n ARG 18 Ca 0.01 1.23 0.13 0.00 -1.00 0.00 0.00 57.85 58.21 1bqz n ARG 18 Cb 0.08 -1.82 0.35 0.00 -1.05 0.00 0.00 32.46 30.01 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 -1.33 0.83 114.58 121.08 1bqz h GLU 19 Ca 0.32 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.63 1bqz h GLU 19 Cb 0.52 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.75 1bqz h GLU 19 CO -0.80 0.00 -0.68 0.97 0.07 0.00 0.00 179.01 178.57 1bqz h ILE 20 N 0.00 1.23 -0.11 -1.06 6.09 0.54 -2.81 117.51 121.39 1bqz h ILE 20 Ca 0.00 -2.18 -0.05 0.00 -1.37 0.00 0.00 64.86 61.26 1bqz h ILE 20 Cb 0.80 2.58 -0.01 0.00 0.47 0.00 0.00 36.82 40.66 1bqz h ILE 20 CO 0.00 0.42 -0.17 0.08 -3.07 0.00 0.00 178.15 175.41 1bqz h ARG 21 N -1.00 0.18 0.49 2.19 -0.00 0.49 -2.94 114.38 113.78 1bqz h ARG 21 Ca -0.18 -0.04 -0.02 0.00 -0.00 0.00 0.00 59.98 59.73 1bqz h ARG 21 Cb 1.12 -0.02 0.00 0.00 -0.00 0.00 0.00 29.97 31.07 1bqz h ARG 21 CO -0.11 0.36 -0.23 -0.22 -0.00 0.00 0.00 179.97 179.76 1bqz h LYS 22 N 0.17 -0.63 -0.64 0.08 1.63 -0.91 0.36 116.57 116.62 1bqz h LYS 22 Ca 0.03 0.04 0.13 0.00 -0.85 0.00 0.00 60.65 60.01 1bqz h LYS 22 Cb 0.41 0.14 -0.11 0.00 -0.60 0.00 0.00 32.23 32.08 1bqz h LYS 22 CO 0.03 -0.36 0.03 0.00 -3.45 0.00 0.00 179.45 175.69 1bqz h ALA 23 N -0.33 0.66 0.00 5.00 0.00 -1.32 2.51 119.26 125.78 1bqz h ALA 23 Ca -0.07 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1bqz h ALA 23 Cb 0.56 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.66 1bqz h ALA 23 CO 0.11 -0.39 -0.00 -0.92 0.00 0.00 0.00 179.25 178.05 1bqz h TYR 24 N 0.14 0.00 0.20 0.00 3.20 -1.42 1.18 116.97 120.26 1bqz h TYR 24 Ca 0.34 0.00 -0.33 0.00 3.14 0.00 0.00 58.73 61.87 1bqz h TYR 24 Cb 0.56 0.00 0.02 0.00 1.54 0.00 0.00 36.73 38.84 1bqz h TYR 24 CO -0.35 0.00 -1.62 0.87 -1.64 0.00 0.00 178.16 175.42 1bqz h LYS 25 N 0.00 0.41 0.14 1.82 6.56 0.57 -2.41 116.57 123.66 1bqz h LYS 25 Ca -0.00 -0.71 -0.34 0.00 -1.06 0.00 0.00 60.65 58.54 1bqz h LYS 25 Cb 0.36 0.26 -0.01 0.00 -0.57 0.00 0.00 32.23 32.28 1bqz h LYS 25 CO 0.00 1.34 -1.79 0.00 -2.06 0.00 0.00 179.45 176.93 1bqz h ARG 26 N 0.05 0.30 0.07 3.15 3.08 0.32 -2.83 114.38 118.53 1bqz h ARG 26 Ca -0.31 -0.51 -0.25 0.00 0.07 0.00 0.00 59.98 58.98 1bqz h ARG 26 Cb 2.06 0.19 -0.01 0.00 0.08 0.00 0.00 29.97 32.30 1bqz h ARG 26 CO 0.19 1.19 -1.13 1.37 -1.07 0.00 0.00 179.97 180.52 1bqz h LEU 27 N 0.08 0.24 0.06 3.04 8.10 0.12 -3.31 115.31 123.65 1bqz h LEU 27 Ca -0.35 -0.25 -0.29 0.00 0.11 0.00 0.00 57.88 57.09 1bqz h LEU 27 Cb 2.06 -0.08 -0.03 0.00 -0.44 0.00 0.00 40.66 42.18 1bqz h LEU 27 CO 0.14 1.20 -1.54 0.00 -4.11 0.00 0.00 178.44 174.13 1bqz h ALA 28 N 0.77 0.46 -0.33 0.17 0.00 -1.49 -2.48 119.26 116.36 1bqz h ALA 28 Ca -0.08 -1.22 0.09 0.00 0.00 0.00 0.00 54.91 53.71 1bqz h ALA 28 Cb 1.88 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.97 1bqz h ALA 28 CO 0.17 1.32 0.31 0.00 0.00 0.00 0.00 179.25 181.05 1bqz h MET 29 N 0.04 0.00 0.00 0.00 -0.00 -1.60 2.12 114.93 115.49 1bqz h MET 29 Ca -0.23 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.45 1bqz h MET 29 Cb 1.98 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.57 1bqz h MET 29 CO 0.12 0.00 -1.07 1.63 -0.00 0.00 0.00 176.91 177.60 1bqz n LYS 30 N -3.95 0.61 -0.46 -0.10 5.02 -1.21 -3.86 118.16 114.21 1bqz n LYS 30 Ca 0.05 0.13 0.08 0.00 -2.02 0.00 0.00 58.31 56.55 1bqz n LYS 30 Cb 0.47 -1.82 0.26 0.00 -0.02 0.00 0.00 35.03 33.92 1bqz n LYS 30 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1bqz n TYR 31 N -2.70 1.02 0.00 2.13 4.02 0.34 -4.86 117.16 117.12 1bqz n TYR 31 Ca -0.01 -0.77 0.00 0.00 -0.01 0.00 0.00 57.90 57.10 1bqz n TYR 31 Cb 0.58 -0.28 0.00 0.00 -0.02 0.00 0.00 39.34 39.63 1bqz n TYR 31 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 176.86 173.46 1bqz n HIS 32 N -0.08 -0.22 -0.42 -0.72 1.44 0.63 -3.81 115.22 112.05 1bqz n HIS 32 Ca 0.21 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.84 1bqz n HIS 32 Cb 0.84 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.90 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 0.93 -0.08 -1.40 -0.04 -1.26 -3.29 135.00 129.86 1bqz n PRO 33 Ca 0.00 -0.57 -0.12 0.00 -0.04 0.00 0.00 63.50 62.77 1bqz n PRO 33 Cb 0.00 -1.84 -0.08 0.00 -0.04 0.00 0.00 33.50 31.54 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 3.19 2.64 0.00 3.54 5.75 -1.26 -4.87 116.55 125.54 1bqz n ASP 34 Ca 0.20 -0.08 0.00 0.00 -0.01 0.00 0.00 54.79 54.90 1bqz n ASP 34 Cb 0.29 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.11 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 -3.02 0.96 -0.17 0.11 -4.01 -1.21 -4.82 116.66 104.50 1bqz n ARG 35 Ca -0.30 0.00 0.29 0.00 -1.04 0.00 0.00 57.85 56.79 1bqz n ARG 35 Cb 0.82 -0.45 0.59 0.00 -3.04 0.00 0.00 32.46 30.37 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 -0.29 2.89 2.35 -1.65 2.40 115.58 121.28 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 -3.50 1.91 -2.40 0.81 6.02 -1.26 -3.93 117.38 115.02 1bqz n GLN 37 Ca 0.20 -1.13 0.01 0.00 -0.01 0.00 0.00 57.00 56.07 1bqz n GLN 37 Cb 1.28 -1.37 0.04 0.00 1.02 0.00 0.00 30.24 31.21 1bqz n GLN 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1bqz n GLY 38 N 0.81 1.53 2.82 1.08 0.00 0.81 -5.03 105.19 107.20 1bqz n GLY 38 Ca 0.10 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.89 1bqz n GLY 38 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1bqz s ASP 39 N -3.11 3.80 -0.31 1.61 1.47 -1.22 -5.00 116.67 113.90 1bqz s ASP 39 Ca 0.28 -1.37 -0.03 0.00 1.18 0.00 0.00 52.55 52.61 1bqz s ASP 39 Cb 0.34 -0.96 0.07 0.00 -0.34 0.00 0.00 42.92 42.03 1bqz s ASP 39 CO -0.08 -0.34 2.56 1.17 0.68 0.00 0.00 175.17 179.16 1bqz n LYS 40 N 4.79 2.04 0.00 2.11 0.00 -1.26 -2.88 118.16 122.95 1bqz n LYS 40 Ca -0.06 -1.72 0.00 0.00 0.00 0.00 0.00 58.31 56.53 1bqz n LYS 40 Cb 0.44 -1.86 0.00 0.00 0.00 0.00 0.00 35.03 33.61 1bqz n LYS 40 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1bqz n GLU 41 N 0.94 0.00 0.12 1.64 0.28 -1.26 -4.90 120.64 117.46 1bqz n GLU 41 Ca 0.38 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.50 1bqz n GLU 41 Cb 0.61 0.00 0.19 0.00 1.43 0.00 0.00 31.44 33.67 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 0.76 -1.01 -1.84 0.00 -1.97 -3.30 119.26 111.89 1bqz h ALA 42 Ca 0.00 0.00 0.26 0.00 0.00 0.00 0.00 54.91 55.17 1bqz h ALA 42 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 17.79 17.67 1bqz h ALA 42 CO 0.00 0.00 0.60 1.49 0.00 0.00 0.00 179.25 181.34 1bqz h GLU 43 N 0.00 0.51 0.54 0.00 4.81 -1.84 -2.44 114.58 116.16 1bqz h GLU 43 Ca 0.00 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.17 1bqz h GLU 43 Cb 0.86 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 30.13 1bqz h GLU 43 CO 0.00 0.34 -0.26 0.00 -0.73 0.00 0.00 179.01 178.36 1bqz h ALA 44 N 1.73 -1.00 -1.06 2.92 0.00 -1.87 -2.16 119.26 117.81 1bqz h ALA 44 Ca 0.65 -0.16 0.31 0.00 0.00 0.00 0.00 54.91 55.71 1bqz h ALA 44 Cb 1.33 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 19.35 1bqz h ALA 44 CO -0.47 -0.95 1.03 -0.22 0.00 0.00 0.00 179.25 178.64 1bqz h LYS 45 N -0.85 0.00 -0.02 0.00 3.64 -1.67 2.86 116.57 120.52 1bqz h LYS 45 Ca -0.07 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 1bqz h LYS 45 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1bqz h LYS 45 CO 0.12 0.00 -0.05 0.74 -2.27 0.00 0.00 179.45 178.00 1bqz h PHE 46 N 0.00 0.08 0.00 1.91 0.04 -1.06 -3.02 116.94 114.89 1bqz h PHE 46 Ca 0.50 -0.03 -0.13 0.00 2.80 0.00 0.00 57.97 61.11 1bqz h PHE 46 Cb 2.56 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 40.68 1bqz h PHE 46 CO 0.00 0.66 -1.09 1.57 -0.60 0.00 0.00 178.31 178.85 1bqz h LYS 47 N -0.53 0.00 -1.02 1.51 -0.00 0.47 -3.23 116.57 113.77 1bqz h LYS 47 Ca -0.00 0.00 0.25 0.00 -0.00 0.00 0.00 60.65 60.90 1bqz h LYS 47 Cb 0.66 0.00 -0.10 0.00 -0.00 0.00 0.00 32.23 32.79 1bqz h LYS 47 CO 0.01 0.32 0.64 0.93 -0.00 0.00 0.00 179.45 181.35 1bqz h GLU 48 N 0.00 0.48 -0.34 0.07 4.39 0.48 1.94 114.58 121.59 1bqz h GLU 48 Ca -0.10 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.57 1bqz h GLU 48 Cb 1.46 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.99 1bqz h GLU 48 CO 0.05 0.32 0.21 0.82 -1.16 0.00 0.00 179.01 179.24 1bqz h ILE 49 N 0.49 1.11 -0.40 3.13 2.04 -1.54 0.18 117.51 122.52 1bqz h ILE 49 Ca 0.61 -0.24 -0.09 0.00 1.00 0.00 0.00 64.86 66.13 1bqz h ILE 49 Cb 1.35 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 38.06 1bqz h ILE 49 CO -0.36 0.11 -0.14 0.50 0.00 0.00 0.00 178.15 178.26 1bqz h LYS 50 N 0.45 0.72 -0.87 2.37 3.11 0.22 -2.44 116.57 120.13 1bqz h LYS 50 Ca 0.12 -0.24 0.00 0.00 -2.81 0.00 0.00 60.65 57.72 1bqz h LYS 50 Cb -0.01 -0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 31.12 1bqz h LYS 50 CO -0.02 0.82 0.56 1.49 -2.81 0.00 0.00 179.45 179.49 1bqz h GLU 51 N 0.65 1.16 -1.72 1.90 4.57 0.30 -0.61 114.58 120.83 1bqz h GLU 51 Ca 0.11 -0.08 0.50 0.00 -1.18 0.00 0.00 59.36 58.71 1bqz h GLU 51 Cb 0.60 -0.26 -0.07 0.00 -0.16 0.00 0.00 28.75 28.86 1bqz h GLU 51 CO 0.04 0.78 1.25 0.00 -1.18 0.00 0.00 179.01 179.91 1bqz h ALA 52 N 1.31 3.63 -0.51 2.92 0.00 -0.17 1.15 119.26 127.59 1bqz h ALA 52 Ca 0.32 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1bqz h ALA 52 Cb -0.11 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1bqz h ALA 52 CO -0.07 -2.14 0.26 1.88 0.00 0.00 0.00 179.25 179.19 1bqz h TYR 53 N 0.00 0.72 -0.01 0.00 0.05 -1.20 0.29 116.97 116.82 1bqz h TYR 53 Ca 0.82 -0.03 0.00 0.00 0.05 0.00 0.00 58.73 59.58 1bqz h TYR 53 Cb 3.32 -0.23 -0.00 0.00 1.01 0.00 0.00 36.73 40.83 1bqz h TYR 53 CO 0.00 0.55 0.26 0.93 -1.05 0.00 0.00 178.16 178.84 1bqz h GLU 54 N 0.68 0.00 0.00 4.88 5.08 0.12 0.91 114.58 126.25 1bqz h GLU 54 Ca 0.18 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.40 1bqz h GLU 54 Cb 0.08 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 1bqz h GLU 54 CO -0.03 0.00 -1.23 1.55 -1.00 0.00 0.00 179.01 178.30 1bqz n VAL 55 N -2.97 1.49 0.08 3.13 3.14 0.28 -4.59 118.33 118.89 1bqz n VAL 55 Ca -0.02 0.02 0.03 0.00 -2.96 0.00 0.00 64.34 61.42 1bqz n VAL 55 Cb 0.31 -2.21 -0.03 0.00 -1.06 0.00 0.00 33.84 30.85 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 -3.17 6.55 8.10 -0.19 1.28 115.31 126.87 1bqz h LEU 56 Ca -0.21 0.00 -0.26 0.00 0.11 0.00 0.00 57.88 57.52 1bqz h LEU 56 Cb 1.04 0.00 -0.13 0.00 -0.44 0.00 0.00 40.66 41.13 1bqz h LEU 56 CO -0.13 0.42 0.34 0.35 -4.11 0.00 0.00 178.44 175.31 1bqz n THR 57 N -2.94 2.36 -3.66 0.15 -2.24 0.31 -4.35 114.28 103.91 1bqz n THR 57 Ca -0.04 -1.22 -0.10 0.00 -2.27 0.00 0.00 64.05 60.42 1bqz n THR 57 Cb 0.75 -1.09 -0.11 0.00 -2.10 0.00 0.00 70.33 67.78 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 0.19 -0.05 0.62 3.42 1.01 -1.25 -4.89 116.67 115.72 1bqz s ASP 58 Ca 0.26 0.85 0.20 0.00 0.71 0.00 0.00 52.55 54.57 1bqz s ASP 58 Cb 0.21 1.11 0.79 0.00 1.01 0.00 0.00 42.92 46.04 1bqz s ASP 58 CO 0.02 -0.23 1.34 -1.28 0.21 0.00 0.00 175.17 175.22 1bqz h SER 59 N 8.18 0.00 0.00 0.27 0.87 -1.88 0.17 113.55 121.16 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 1.11 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.07 1bqz h SER 59 CO 0.13 0.00 0.00 0.00 -0.53 0.00 0.00 176.83 176.43 1bqz n GLN 60 N -3.08 0.00 0.05 2.24 6.02 -1.26 -2.97 117.38 118.38 1bqz n GLN 60 Ca 0.13 0.44 0.13 0.00 -0.01 0.00 0.00 57.00 57.69 1bqz n GLN 60 Cb 1.20 -1.07 0.50 0.00 1.02 0.00 0.00 30.24 31.90 1bqz n GLN 60 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 1bqz n LYS 61 N -1.82 0.11 0.05 -1.09 0.00 -0.96 -1.64 118.16 112.81 1bqz n LYS 61 Ca 0.00 0.14 -0.11 0.00 -0.00 0.00 0.00 58.31 58.34 1bqz n LYS 61 Cb 0.00 -1.64 -0.13 0.00 -0.00 0.00 0.00 35.03 33.26 1bqz n LYS 61 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.40 177.47 1bqz h ARG 62 N 0.00 0.09 0.00 -1.58 0.11 0.47 -1.79 114.38 111.67 1bqz h ARG 62 Ca 0.00 -0.15 0.00 0.00 0.10 0.00 0.00 59.98 59.93 1bqz h ARG 62 Cb 0.55 0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.68 1bqz h ARG 62 CO 0.00 0.94 -0.98 0.00 0.10 0.00 0.00 179.97 180.02 1bqz n ALA 63 N -2.49 2.57 0.02 0.08 0.00 -1.16 -3.36 120.51 116.17 1bqz n ALA 63 Ca -0.09 -0.24 -0.21 0.00 0.00 0.00 0.00 53.44 52.91 1bqz n ALA 63 Cb 1.00 -1.11 -0.14 0.00 0.00 0.00 0.00 19.45 19.20 1bqz n ALA 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1bqz h ALA 64 N 2.04 0.38 0.00 0.00 0.00 -1.38 -3.36 119.26 116.95 1bqz h ALA 64 Ca 0.00 -1.32 -0.10 0.00 0.00 0.00 0.00 54.91 53.49 1bqz h ALA 64 Cb 0.98 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 19.37 1bqz h ALA 64 CO 0.00 1.25 -0.47 1.88 0.00 0.00 0.00 179.25 181.92 1bqz h TYR 65 N 0.08 0.00 -0.99 0.00 -1.99 -1.48 -1.22 116.97 111.38 1bqz h TYR 65 Ca -0.39 0.00 0.23 0.00 2.00 0.00 0.00 58.73 60.58 1bqz h TYR 65 Cb 2.05 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 40.70 1bqz h TYR 65 CO 0.08 0.47 0.64 0.38 -0.00 0.00 0.00 178.16 179.72 1bqz h ASP 66 N 0.00 0.48 -0.06 3.88 3.04 -1.56 0.04 116.42 122.24 1bqz h ASP 66 Ca -0.00 0.07 0.00 0.00 -3.24 0.00 0.00 57.03 53.85 1bqz h ASP 66 Cb 1.02 -0.01 0.00 0.00 -1.04 0.00 0.00 39.33 39.30 1bqz h ASP 66 CO 0.06 0.14 0.00 0.00 -2.04 0.00 0.00 179.24 177.40 1bqz n GLN 67 N -4.60 2.26 -2.02 4.15 10.64 -1.15 -4.31 117.38 122.36 1bqz n GLN 67 Ca 0.23 -2.14 -0.08 0.00 -1.83 0.00 0.00 57.00 53.17 1bqz n GLN 67 Cb 0.77 -1.32 -0.02 0.00 -0.86 0.00 0.00 30.24 28.81 1bqz n GLN 67 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1bqz n TYR 68 N -0.80 -1.24 0.00 2.61 4.02 -0.00 -4.14 117.16 117.61 1bqz n TYR 68 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.99 1bqz n TYR 68 Cb 0.50 -2.13 0.00 0.00 -0.02 0.00 0.00 39.34 37.69 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 -0.51 0.73 0.52 2.72 0.00 -0.60 -4.43 105.19 103.61 1bqz n GLY 69 Ca -0.09 -1.41 0.29 0.00 0.00 0.00 0.00 46.02 44.82 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 0.55 115.15 116.60 1bqz h HIS 70 Ca 0.00 0.00 0.24 0.00 -2.85 0.00 0.00 60.37 57.76 1bqz h HIS 70 Cb 0.00 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 29.93 1bqz h HIS 70 CO 0.00 0.00 0.62 0.00 -3.07 0.00 0.00 177.93 175.48 1bqz h ALA 71 N 0.84 2.61 0.00 6.11 0.00 -1.85 1.05 119.26 128.02 1bqz h ALA 71 Ca 0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.38 1bqz h ALA 71 Cb 2.58 0.04 0.00 0.00 0.00 0.00 0.00 17.79 20.41 1bqz h ALA 71 CO -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 179.25 178.36 1bqz n ALA 72 N -2.64 1.60 0.76 0.00 0.00 0.19 0.12 120.51 120.54 1bqz n ALA 72 Ca 0.19 -0.05 0.08 0.00 0.00 0.00 0.00 53.44 53.66 1bqz n ALA 72 Cb 0.86 -1.17 -0.10 0.00 0.00 0.00 0.00 19.45 19.05 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 -1.36 0.00 0.00 0.00 3.72 0.36 -4.80 117.46 115.38 1bqz n PHE 73 Ca 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.44 1bqz n PHE 73 Cb 0.10 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 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 -1.41 0.00 -0.70 -1.08 1.02 -0.65 -5.12 120.64 112.70 1bqz n GLU 74 Ca 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1bqz n GLU 74 Cb 0.26 -0.12 0.00 0.00 -0.02 0.00 0.00 31.44 31.57 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 -2.19 0.90 0.00 3.49 6.02 0.33 -5.06 117.38 120.87 1bqz n GLN 75 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1bqz n GLN 75 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 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 5.00 -0.36 0.00 1.08 0.00 -1.25 -4.17 105.19 105.49 1bqz n GLY 76 Ca 0.00 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1bqz n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93