#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 3.11 -0.15 0.00 2.20 -1.26 -4.98 119.74 118.66 1bqz s LYS 2 Ca 0.00 -0.99 -0.04 0.00 -0.36 0.00 0.00 55.97 54.58 1bqz s LYS 2 Cb 0.00 -4.26 0.07 0.00 -1.51 0.00 0.00 37.83 32.13 1bqz s LYS 2 CO 0.00 -1.74 0.19 -0.65 -0.36 0.00 0.00 175.35 172.78 1bqz s GLN 3 N 3.66 0.11 -0.20 4.03 -0.21 -1.26 -5.07 119.66 120.72 1bqz s GLN 3 Ca 0.20 0.34 -0.04 0.00 0.02 0.00 0.00 55.36 55.87 1bqz s GLN 3 Cb -0.18 -0.86 0.10 0.00 1.00 0.00 0.00 33.01 33.07 1bqz s GLN 3 CO 0.09 -0.50 0.32 -0.51 -2.12 0.00 0.00 175.29 172.56 1bqz s ASP 4 N 2.30 0.46 0.07 5.90 1.11 -1.26 -5.00 116.67 120.25 1bqz s ASP 4 Ca 0.04 0.31 -0.14 0.00 0.18 0.00 0.00 52.55 52.94 1bqz s ASP 4 Cb -0.14 0.89 -0.03 0.00 1.07 0.00 0.00 42.92 44.70 1bqz s ASP 4 CO -0.09 -0.28 0.96 -1.22 1.18 0.00 0.00 175.17 175.71 1bqz n TYR 5 N 5.35 -0.21 -0.34 4.23 4.02 -1.26 0.45 117.16 129.41 1bqz n TYR 5 Ca -0.05 0.58 0.35 0.00 -0.01 0.00 0.00 57.90 58.77 1bqz n TYR 5 Cb 0.50 -0.49 0.73 0.00 -0.02 0.00 0.00 39.34 40.06 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 0.08 0.03 -0.72 0.05 -1.88 2.20 116.97 116.73 1bqz h TYR 6 Ca 0.07 0.00 -0.28 0.00 0.05 0.00 0.00 58.73 58.58 1bqz h TYR 6 Cb 0.19 -0.02 -0.04 0.00 1.01 0.00 0.00 36.73 37.87 1bqz h TYR 6 CO -0.70 0.00 -1.55 0.93 -1.05 0.00 0.00 178.16 175.79 1bqz h GLU 7 N 0.04 0.06 -0.80 4.88 4.39 0.98 1.03 114.58 125.15 1bqz h GLU 7 Ca 0.59 -0.10 0.16 0.00 0.34 0.00 0.00 59.36 60.36 1bqz h GLU 7 Cb 2.26 0.04 -0.10 0.00 -0.10 0.00 0.00 28.75 30.85 1bqz h GLU 7 CO -0.05 0.75 0.32 0.82 -1.16 0.00 0.00 179.01 179.69 1bqz h ILE 8 N 0.02 0.60 -0.25 3.13 1.08 2.18 1.89 117.51 126.16 1bqz h ILE 8 Ca -0.23 -0.15 -0.01 0.00 -0.39 0.00 0.00 64.86 64.08 1bqz h ILE 8 Cb 1.96 0.13 -0.01 0.00 -3.07 0.00 0.00 36.82 35.84 1bqz h ILE 8 CO 0.10 0.08 0.02 0.18 -0.69 0.00 0.00 178.15 177.84 1bqz n LEU 9 N -5.02 3.05 -1.71 1.44 4.32 -0.25 -4.82 117.00 114.01 1bqz n LEU 9 Ca 0.16 -1.55 -0.21 0.00 -0.02 0.00 0.00 56.01 54.40 1bqz n LEU 9 Cb 0.48 -0.58 -0.08 0.00 -1.62 0.00 0.00 43.42 41.62 1bqz n LEU 9 CO 0.16 0.43 -0.21 0.61 -1.22 0.00 0.00 177.39 177.16 1bqz n GLY 10 N 0.23 1.63 3.92 -0.72 0.00 0.64 -4.49 105.19 106.40 1bqz n GLY 10 Ca 0.12 -0.01 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.81 1.77 0.28 1.61 -7.23 0.35 -4.93 120.40 109.44 1bqz s VAL 11 Ca 0.00 -1.41 -0.14 0.00 -1.81 0.00 0.00 61.98 58.62 1bqz s VAL 11 Cb 0.00 -2.18 -0.08 0.00 0.56 0.00 0.00 36.38 34.68 1bqz s VAL 11 CO 0.00 0.00 0.67 -0.55 -0.31 0.00 0.00 175.10 174.91 1bqz s SER 12 N -4.34 6.76 0.61 4.85 0.15 -1.25 -3.13 113.70 117.35 1bqz s SER 12 Ca 0.39 1.17 0.23 0.00 0.70 0.00 0.00 55.95 58.44 1bqz s SER 12 Cb -0.03 -2.33 1.25 0.00 -1.71 0.00 0.00 66.02 63.20 1bqz s SER 12 CO 0.24 -0.13 1.68 0.07 1.20 0.00 0.00 173.24 176.31 1bqz h LYS 13 N 2.52 0.00 -0.39 5.44 -0.00 -1.93 2.30 116.57 124.51 1bqz h LYS 13 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.17 1bqz h LYS 13 Cb 1.18 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.41 1bqz h LYS 13 CO 0.66 0.00 0.00 0.25 -0.00 0.00 0.00 179.45 180.36 1bqz n THR 14 N -2.68 0.51 0.00 0.07 -2.24 -1.26 -4.51 114.28 104.16 1bqz n THR 14 Ca -0.02 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 1bqz n THR 14 Cb 0.45 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.55 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 1.37 0.00 -2.37 6.98 0.00 0.77 -5.07 120.51 122.19 1bqz n ALA 15 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 1bqz n ALA 15 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -5.00 120.64 115.40 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 0.00 3.49 1.02 -1.26 -3.96 120.64 119.93 1bqz n GLU 17 Ca 0.00 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1bqz n GLU 17 Cb 0.00 -0.72 0.00 0.00 -0.02 0.00 0.00 31.44 30.70 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 -2.14 0.00 -0.01 3.49 1.85 -1.26 0.18 116.66 118.77 1bqz n ARG 18 Ca 0.00 0.56 0.23 0.00 -1.00 0.00 0.00 57.85 57.64 1bqz n ARG 18 Cb 0.00 -0.96 0.58 0.00 -1.05 0.00 0.00 32.46 31.03 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 0.17 2.89 4.11 -1.97 2.71 114.58 122.49 1bqz h GLU 19 Ca 0.00 0.00 -0.32 0.00 0.07 0.00 0.00 59.36 59.11 1bqz h GLU 19 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 1bqz h GLU 19 CO 0.00 0.00 -1.53 0.82 0.07 0.00 0.00 179.01 178.37 1bqz h ILE 20 N 0.00 1.19 0.14 -1.06 5.03 0.18 -3.07 117.51 119.91 1bqz h ILE 20 Ca 0.30 -2.75 -0.35 0.00 -0.12 0.00 0.00 64.86 61.95 1bqz h ILE 20 Cb 1.90 2.86 -0.01 0.00 -3.03 0.00 0.00 36.82 38.55 1bqz h ILE 20 CO -0.00 0.84 -1.81 0.08 -0.68 0.00 0.00 178.15 176.57 1bqz h ARG 21 N 0.10 0.29 -0.75 2.37 -0.00 1.12 -3.31 114.38 114.19 1bqz h ARG 21 Ca -0.25 -0.49 0.09 0.00 -0.00 0.00 0.00 59.98 59.32 1bqz h ARG 21 Cb 2.07 0.18 -0.07 0.00 -0.00 0.00 0.00 29.97 32.15 1bqz h ARG 21 CO 0.20 1.18 0.40 -0.22 -0.00 0.00 0.00 179.97 181.53 1bqz h LYS 22 N 0.08 0.66 -0.03 0.08 1.63 0.40 0.15 116.57 119.53 1bqz h LYS 22 Ca -0.35 -0.04 0.02 0.00 -0.85 0.00 0.00 60.65 59.43 1bqz h LYS 22 Cb 2.06 -0.15 -0.03 0.00 -0.60 0.00 0.00 32.23 33.51 1bqz h LYS 22 CO 0.13 0.43 -0.10 0.00 -3.45 0.00 0.00 179.45 176.46 1bqz h ALA 23 N 1.44 -0.09 0.00 5.00 0.00 -1.66 2.28 119.26 126.23 1bqz h ALA 23 Ca 0.37 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1bqz h ALA 23 Cb 0.36 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1bqz h ALA 23 CO -0.26 -0.59 0.00 0.98 0.00 0.00 0.00 179.25 179.39 1bqz n TYR 24 N -5.23 0.54 -0.09 0.00 9.36 -0.81 0.20 117.16 121.12 1bqz n TYR 24 Ca -0.05 0.23 -0.21 0.00 3.32 0.00 0.00 57.90 61.19 1bqz n TYR 24 Cb 0.16 -0.87 -0.12 0.00 -0.63 0.00 0.00 39.34 37.88 1bqz n TYR 24 CO 0.00 0.00 0.00 0.87 0.22 0.00 0.00 176.86 177.95 1bqz h LYS 25 N 0.00 0.02 0.01 2.98 6.56 0.26 -3.08 116.57 123.33 1bqz h LYS 25 Ca 0.00 -0.04 -0.27 0.00 -1.06 0.00 0.00 60.65 59.28 1bqz h LYS 25 Cb 0.25 0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 31.88 1bqz h LYS 25 CO 0.00 1.02 -1.53 0.00 -2.06 0.00 0.00 179.45 176.88 1bqz h ARG 26 N -0.92 0.03 0.10 3.15 3.08 0.39 -2.73 114.38 117.48 1bqz h ARG 26 Ca -0.32 -0.04 -0.27 0.00 0.07 0.00 0.00 59.98 59.42 1bqz h ARG 26 Cb 1.33 0.02 0.01 0.00 0.08 0.00 0.00 29.97 31.40 1bqz h ARG 26 CO -0.17 0.69 -1.18 1.37 -1.07 0.00 0.00 179.97 179.61 1bqz h LEU 27 N 0.01 0.53 0.02 3.04 8.10 0.21 -2.79 115.31 124.43 1bqz h LEU 27 Ca -0.22 -0.52 -0.18 0.00 0.11 0.00 0.00 57.88 57.07 1bqz h LEU 27 Cb 1.95 -0.17 0.02 0.00 -0.44 0.00 0.00 40.66 42.02 1bqz h LEU 27 CO 0.10 1.37 -0.73 0.00 -4.11 0.00 0.00 178.44 175.07 1bqz h ALA 28 N 0.57 0.07 -0.10 0.17 0.00 -1.53 0.45 119.26 118.88 1bqz h ALA 28 Ca -0.13 -0.61 0.03 0.00 0.00 0.00 0.00 54.91 54.19 1bqz h ALA 28 Cb 1.87 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 1bqz h ALA 28 CO 0.20 0.43 0.09 0.00 0.00 0.00 0.00 179.25 179.98 1bqz h MET 29 N -0.01 0.00 0.00 0.00 -0.00 -1.58 0.98 114.93 114.32 1bqz h MET 29 Ca -0.10 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.60 1bqz h MET 29 Cb 1.44 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.04 1bqz h MET 29 CO 0.14 0.00 -0.82 0.87 -0.00 0.00 0.00 176.91 177.10 1bqz h LYS 30 N 0.00 0.00 -0.52 -0.10 1.57 -1.22 -3.27 116.57 113.03 1bqz h LYS 30 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1bqz h LYS 30 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.54 1bqz h LYS 30 CO -0.00 0.01 0.00 0.66 -0.57 0.00 0.00 179.45 179.55 1bqz n TYR 31 N -2.77 0.68 0.00 -1.35 4.02 0.16 -4.68 117.16 113.22 1bqz n TYR 31 Ca 0.01 -0.35 0.00 0.00 -0.01 0.00 0.00 57.90 57.54 1bqz n TYR 31 Cb 0.55 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.87 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 1.52 0.00 -0.42 -0.72 1.44 0.29 -3.75 115.22 113.57 1bqz n HIS 32 Ca 0.21 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.87 1bqz n HIS 32 Cb 0.60 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.64 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 0.84 -0.09 -1.40 -0.04 -1.26 -3.23 135.00 129.82 1bqz n PRO 33 Ca 0.00 -0.42 -0.13 0.00 -0.04 0.00 0.00 63.50 62.91 1bqz n PRO 33 Cb 0.00 -1.71 -0.09 0.00 -0.04 0.00 0.00 33.50 31.66 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 2.78 2.51 0.00 3.54 5.75 -1.26 -4.83 116.55 125.04 1bqz n ASP 34 Ca 0.18 -0.09 0.00 0.00 -0.01 0.00 0.00 54.79 54.87 1bqz n ASP 34 Cb 0.39 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 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 -3.07 1.36 0.07 0.11 -4.01 -1.21 -4.78 116.66 105.12 1bqz n ARG 35 Ca -0.33 0.00 0.20 0.00 -1.04 0.00 0.00 57.85 56.68 1bqz n ARG 35 Cb 0.85 -0.56 0.60 0.00 -3.04 0.00 0.00 32.46 30.32 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 0.00 2.89 2.35 -1.63 0.69 115.58 119.88 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 0.09 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.46 1bqz h ASN 36 CO 0.00 0.00 0.25 1.56 -1.65 0.00 0.00 177.43 177.59 1bqz h GLN 37 N 0.00 0.00 0.00 0.81 4.20 -1.86 0.65 115.11 118.91 1bqz h GLN 37 Ca 0.23 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.94 1bqz h GLN 37 Cb 1.63 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.41 1bqz h GLN 37 CO -0.00 0.00 0.00 0.78 -0.67 0.00 0.00 178.83 178.94 1bqz h GLY 38 N 0.00 0.00 -0.34 3.46 0.00 0.03 -3.45 103.07 102.76 1bqz h GLY 38 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.18 1bqz h GLY 38 CO 0.00 0.00 -0.13 1.22 0.00 0.00 0.00 176.54 177.63 1bqz n ASP 39 N -2.83 -5.76 -3.13 0.19 9.92 0.23 -4.80 116.55 110.38 1bqz n ASP 39 Ca 0.01 0.18 -0.14 0.00 -0.53 0.00 0.00 54.79 54.31 1bqz n ASP 39 Cb 0.28 -3.89 -0.01 0.00 -0.64 0.00 0.00 41.12 36.85 1bqz n ASP 39 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1bqz n LYS 40 N -0.27 1.08 -1.68 -1.24 5.02 -1.26 -4.25 118.16 115.56 1bqz n LYS 40 Ca -0.07 -1.04 -0.03 0.00 -2.02 0.00 0.00 58.31 55.15 1bqz n LYS 40 Cb 0.55 -2.28 -0.01 0.00 -0.02 0.00 0.00 35.03 33.28 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 4.80 -1.81 0.00 1.97 0.28 -1.26 -4.59 120.64 120.02 1bqz n GLU 41 Ca 0.25 0.15 0.02 0.00 -0.16 0.00 0.00 57.16 57.42 1bqz n GLU 41 Cb 0.09 -4.40 0.09 0.00 1.43 0.00 0.00 31.44 28.66 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 -1.43 1.33 0.01 -1.84 0.00 -1.26 -1.42 120.51 115.89 1bqz n ALA 42 Ca -0.03 -0.02 -0.18 0.00 0.00 0.00 0.00 53.44 53.21 1bqz n ALA 42 Cb 0.28 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 18.56 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 0.56 0.75 0.00 4.57 -1.90 -3.02 114.58 115.54 1bqz h GLU 43 Ca 0.00 -0.57 -0.04 0.00 -1.18 0.00 0.00 59.36 57.58 1bqz h GLU 43 Cb 0.04 0.15 0.01 0.00 -0.16 0.00 0.00 28.75 28.79 1bqz h GLU 43 CO 0.00 1.19 -0.36 0.00 -1.18 0.00 0.00 179.01 178.65 1bqz h ALA 44 N 0.39 -1.25 -0.74 2.92 0.00 -1.61 -0.34 119.26 118.64 1bqz h ALA 44 Ca -0.09 -0.22 0.22 0.00 0.00 0.00 0.00 54.91 54.82 1bqz h ALA 44 Cb 1.43 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 19.58 1bqz h ALA 44 CO 0.15 -1.17 0.73 -0.22 0.00 0.00 0.00 179.25 178.74 1bqz h LYS 45 N -1.03 0.00 0.19 0.00 3.64 -1.70 1.52 116.57 119.18 1bqz h LYS 45 Ca -0.10 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.27 1bqz h LYS 45 Cb 0.78 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1bqz h LYS 45 CO 0.17 0.00 -0.09 0.35 -2.27 0.00 0.00 179.45 177.61 1bqz h PHE 46 N 0.00 -0.23 0.00 1.91 3.57 -0.98 -2.86 116.94 118.35 1bqz h PHE 46 Ca 0.35 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.75 1bqz h PHE 46 Cb 1.82 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 40.62 1bqz h PHE 46 CO 0.00 0.05 -0.78 1.57 -2.23 0.00 0.00 178.31 176.93 1bqz h LYS 47 N -0.52 0.00 -1.06 1.11 -0.00 0.77 -3.08 116.57 113.79 1bqz h LYS 47 Ca -0.03 0.00 0.29 0.00 -0.00 0.00 0.00 60.65 60.92 1bqz h LYS 47 Cb 0.39 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 32.56 1bqz h LYS 47 CO 0.04 0.31 0.73 0.93 -0.00 0.00 0.00 179.45 181.46 1bqz h GLU 48 N 0.00 0.14 0.02 0.07 4.39 0.20 1.37 114.58 120.77 1bqz h GLU 48 Ca -0.05 -0.01 -0.07 0.00 0.34 0.00 0.00 59.36 59.57 1bqz h GLU 48 Cb 1.34 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 29.97 1bqz h GLU 48 CO 0.04 0.09 -0.28 0.82 -1.16 0.00 0.00 179.01 178.53 1bqz h ILE 49 N 0.15 1.58 0.00 3.13 2.04 -1.42 -2.83 117.51 120.16 1bqz h ILE 49 Ca 0.54 -2.09 0.00 0.00 1.00 0.00 0.00 64.86 64.31 1bqz h ILE 49 Cb 1.84 2.93 0.00 0.00 -0.74 0.00 0.00 36.82 40.85 1bqz h ILE 49 CO -0.11 0.57 0.00 1.17 0.00 0.00 0.00 178.15 179.78 1bqz n LYS 50 N -4.48 0.11 0.00 2.37 4.81 0.28 -1.69 118.16 119.57 1bqz n LYS 50 Ca -0.10 0.22 -0.21 0.00 -0.87 0.00 0.00 58.31 57.35 1bqz n LYS 50 Cb 0.54 -1.50 -0.14 0.00 0.02 0.00 0.00 35.03 33.95 1bqz n LYS 50 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1bqz n GLU 51 N -1.32 0.75 -0.45 1.64 2.13 0.39 -4.05 120.64 119.75 1bqz n GLU 51 Ca 0.04 0.26 0.37 0.00 0.66 0.00 0.00 57.16 58.49 1bqz n GLU 51 Cb 0.08 -1.71 0.57 0.00 0.27 0.00 0.00 31.44 30.64 1bqz n GLU 51 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1bqz n ALA 52 N -2.98 1.31 0.30 4.31 0.00 -0.68 0.28 120.51 123.05 1bqz n ALA 52 Ca -0.31 0.45 0.15 0.00 0.00 0.00 0.00 53.44 53.73 1bqz n ALA 52 Cb 1.05 -0.78 0.92 0.00 0.00 0.00 0.00 19.45 20.64 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 0.00 0.00 0.00 0.05 -1.73 0.40 116.97 115.69 1bqz h TYR 53 Ca 0.65 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.43 1bqz h TYR 53 Cb 2.85 0.00 0.00 0.00 1.01 0.00 0.00 36.73 40.59 1bqz h TYR 53 CO 0.00 0.01 0.14 1.05 -1.05 0.00 0.00 178.16 178.31 1bqz h GLU 54 N 0.00 0.00 0.00 4.88 -0.00 0.38 -3.18 114.58 116.67 1bqz h GLU 54 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.36 1bqz h GLU 54 Cb 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.78 1bqz h GLU 54 CO 0.00 0.00 0.00 1.55 -0.00 0.00 0.00 179.01 180.56 1bqz n VAL 55 N -2.50 0.04 -0.61 -1.06 3.14 0.12 -4.82 118.33 112.64 1bqz n VAL 55 Ca -0.02 0.01 0.47 0.00 -2.96 0.00 0.00 64.34 61.85 1bqz n VAL 55 Cb 0.18 -0.62 0.73 0.00 -1.06 0.00 0.00 33.84 33.06 1bqz n VAL 55 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1bqz n LEU 56 N -2.55 0.00 -1.75 6.55 -0.00 -0.01 0.78 117.00 120.02 1bqz n LEU 56 Ca 0.00 0.91 -0.14 0.00 -0.00 0.00 0.00 56.01 56.77 1bqz n LEU 56 Cb 0.00 -0.44 0.07 0.00 -0.00 0.00 0.00 43.42 43.05 1bqz n LEU 56 CO 0.00 -0.91 1.04 0.35 -0.00 0.00 0.00 177.39 177.88 1bqz n THR 57 N -3.72 2.42 -3.67 1.47 -2.24 -1.20 -4.59 114.28 102.75 1bqz n THR 57 Ca 0.40 -1.29 -0.09 0.00 -2.27 0.00 0.00 64.05 60.79 1bqz n THR 57 Cb 1.85 -1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 68.97 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 -0.03 -0.30 0.21 3.42 1.01 0.23 -5.02 116.67 116.19 1bqz s ASP 58 Ca 0.30 0.93 -0.10 0.00 0.71 0.00 0.00 52.55 54.39 1bqz s ASP 58 Cb 0.24 1.10 0.28 0.00 1.01 0.00 0.00 42.92 45.56 1bqz s ASP 58 CO 0.03 -0.22 1.69 0.28 0.21 0.00 0.00 175.17 177.16 1bqz h SER 59 N 7.81 -0.08 0.04 0.27 0.02 -1.86 0.56 113.55 120.31 1bqz h SER 59 Ca -0.23 0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 60.79 1bqz h SER 59 Cb 1.13 0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.85 1bqz h SER 59 CO 0.18 -0.03 -0.15 -0.61 -1.14 0.00 0.00 176.83 175.09 1bqz h GLN 60 N 0.21 0.23 0.14 3.45 4.15 -1.96 -1.25 115.11 120.08 1bqz h GLN 60 Ca 0.31 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.67 1bqz h GLN 60 Cb 0.47 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.13 1bqz h GLN 60 CO -0.43 0.39 -0.07 0.87 -1.93 0.00 0.00 178.83 177.66 1bqz h LYS 61 N 0.22 -0.18 -0.55 1.69 6.56 -0.55 1.19 116.57 124.95 1bqz h LYS 61 Ca 0.04 0.01 0.16 0.00 -1.06 0.00 0.00 60.65 59.81 1bqz h LYS 61 Cb 0.40 0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.08 1bqz h LYS 61 CO 0.02 -0.12 0.64 0.07 -2.06 0.00 0.00 179.45 178.00 1bqz h ARG 62 N -0.38 0.00 0.00 3.15 0.11 -0.15 2.30 114.38 119.42 1bqz h ARG 62 Ca -0.02 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 59.97 1bqz h ARG 62 Cb 0.14 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.20 1bqz h ARG 62 CO 0.03 0.00 -1.23 0.00 0.10 0.00 0.00 179.97 178.87 1bqz n ALA 63 N -2.30 2.18 -0.09 0.08 0.00 -0.47 -2.84 120.51 117.08 1bqz n ALA 63 Ca 0.11 -0.40 -0.14 0.00 0.00 0.00 0.00 53.44 53.00 1bqz n ALA 63 Cb 0.84 -1.03 -0.08 0.00 0.00 0.00 0.00 19.45 19.18 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 1.67 0.14 0.00 0.00 0.00 1.27 -3.36 119.26 118.99 1bqz h ALA 64 Ca -0.09 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1bqz h ALA 64 Cb 1.33 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.66 1bqz h ALA 64 CO 0.03 0.52 0.00 1.88 0.00 0.00 0.00 179.25 181.68 1bqz h TYR 65 N -1.00 0.00 -0.99 0.00 -1.99 0.10 -1.66 116.97 111.43 1bqz h TYR 65 Ca -0.18 0.00 0.10 0.00 2.00 0.00 0.00 58.73 60.65 1bqz h TYR 65 Cb 0.94 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 39.59 1bqz h TYR 65 CO 0.01 0.00 0.62 0.22 -0.00 0.00 0.00 178.16 179.02 1bqz h ASP 66 N 0.00 0.94 -0.04 3.88 3.58 -1.63 -1.58 116.42 121.58 1bqz h ASP 66 Ca 0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1bqz h ASP 66 Cb 0.41 -0.16 0.00 0.00 1.72 0.00 0.00 39.33 41.30 1bqz h ASP 66 CO 0.00 0.54 0.00 0.00 -2.88 0.00 0.00 179.24 176.90 1bqz n GLN 67 N -4.59 1.39 -2.01 0.28 6.02 -1.03 -4.95 117.38 112.48 1bqz n GLN 67 Ca 0.17 -1.53 -0.17 0.00 -0.01 0.00 0.00 57.00 55.46 1bqz n GLN 67 Cb 0.29 -1.33 -0.03 0.00 1.02 0.00 0.00 30.24 30.19 1bqz n GLN 67 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1bqz n TYR 68 N 0.95 -0.51 0.00 1.08 4.02 -0.60 -4.23 117.16 117.88 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 0.42 -3.30 0.00 0.00 -0.02 0.00 0.00 39.34 36.44 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 -0.95 2.31 0.00 2.72 0.00 -1.04 -4.63 105.19 103.61 1bqz n GLY 69 Ca -0.19 -1.95 0.07 0.00 0.00 0.00 0.00 46.02 43.94 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 1.15 0.00 -0.23 1.61 1.44 -1.26 -2.80 115.22 115.13 1bqz n HIS 70 Ca 0.00 0.00 -0.05 0.00 -2.01 0.00 0.00 57.72 55.66 1bqz n HIS 70 Cb 0.00 -0.31 0.12 0.00 0.12 0.00 0.00 29.99 29.92 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 2.61 1.12 0.00 1.59 0.00 -1.82 -1.11 119.26 121.64 1bqz h ALA 71 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1bqz h ALA 71 Cb 0.14 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1bqz h ALA 71 CO 0.00 0.62 0.21 0.00 0.00 0.00 0.00 179.25 180.08 1bqz h ALA 72 N 1.24 1.19 0.00 0.00 0.00 -1.69 -2.38 119.26 117.62 1bqz h ALA 72 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 54.91 54.75 1bqz h ALA 72 Cb 0.25 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 17.97 1bqz h ALA 72 CO -0.01 -0.19 -2.36 1.19 0.00 0.00 0.00 179.25 177.88 1bqz n PHE 73 N -2.58 0.00 -4.11 0.00 3.01 -0.52 -5.04 117.46 108.22 1bqz n PHE 73 Ca -0.02 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.35 1bqz n PHE 73 Cb 0.25 -0.89 -0.10 0.00 -0.01 0.00 0.00 39.48 38.73 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 -2.46 0.66 -0.34 -1.08 2.02 -0.61 -5.13 118.70 111.76 1bqz s GLU 74 Ca -0.33 -1.13 0.05 0.00 0.02 0.00 0.00 54.97 53.58 1bqz s GLU 74 Cb 0.11 -0.05 0.18 0.00 0.10 0.00 0.00 34.13 34.46 1bqz s GLU 74 CO 0.48 -0.04 0.53 -0.65 0.02 0.00 0.00 175.26 175.60 1bqz s GLN 75 N -3.25 0.62 -0.10 1.61 -0.21 -1.26 -3.95 119.66 113.11 1bqz s GLN 75 Ca 0.04 -0.01 0.04 0.00 0.02 0.00 0.00 55.36 55.45 1bqz s GLN 75 Cb 0.02 -0.08 -0.09 0.00 1.00 0.00 0.00 33.01 33.86 1bqz s GLN 75 CO -0.05 -1.11 -0.04 0.41 -2.12 0.00 0.00 175.29 172.38 1bqz n GLY 76 N 4.92 -0.29 0.00 3.09 0.00 -1.26 -5.19 105.19 106.46 1bqz n GLY 76 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1bqz n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93