#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 1.34 -2.73 0.00 0.00 -1.26 -5.07 118.16 110.44 1bqz n LYS 2 Ca 0.00 -1.84 -0.43 0.00 0.00 0.00 0.00 58.31 56.04 1bqz n LYS 2 Cb 0.00 0.45 -0.03 0.00 0.00 0.00 0.00 35.03 35.45 1bqz n LYS 2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1bqz s GLN 3 N -2.95 3.62 -0.26 1.64 0.74 -1.26 -5.00 119.66 116.18 1bqz s GLN 3 Ca 0.02 0.34 -0.07 0.00 0.05 0.00 0.00 55.36 55.70 1bqz s GLN 3 Cb -0.00 -3.92 -0.01 0.00 1.10 0.00 0.00 33.01 30.18 1bqz s GLN 3 CO 0.01 -1.28 0.06 -0.51 -0.55 0.00 0.00 175.29 173.03 1bqz s ASP 4 N 2.33 5.04 0.28 6.67 1.11 -1.26 -4.97 116.67 125.88 1bqz s ASP 4 Ca 0.42 -0.42 0.02 0.00 0.18 0.00 0.00 52.55 52.74 1bqz s ASP 4 Cb -0.09 -1.89 0.63 0.00 1.07 0.00 0.00 42.92 42.64 1bqz s ASP 4 CO 0.28 -0.10 1.77 0.10 1.18 0.00 0.00 175.17 178.40 1bqz h TYR 5 N 8.23 0.90 -0.50 4.23 -0.00 -1.96 3.09 116.97 130.97 1bqz h TYR 5 Ca -0.36 0.03 0.14 0.00 0.00 0.00 0.00 58.73 58.55 1bqz h TYR 5 Cb 1.15 -0.26 -0.02 0.00 0.00 0.00 0.00 36.73 37.60 1bqz h TYR 5 CO 0.64 0.20 0.54 1.88 -0.00 0.00 0.00 178.16 181.42 1bqz h TYR 6 N 0.69 0.00 0.05 0.10 0.05 -1.89 1.86 116.97 117.83 1bqz h TYR 6 Ca 0.52 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 59.00 1bqz h TYR 6 Cb 0.77 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 38.48 1bqz h TYR 6 CO -0.05 0.00 -1.66 1.49 -1.05 0.00 0.00 178.16 176.88 1bqz h GLU 7 N 0.00 0.10 -0.60 4.88 4.81 0.53 0.74 114.58 125.04 1bqz h GLU 7 Ca 0.24 -0.18 0.12 0.00 -0.13 0.00 0.00 59.36 59.41 1bqz h GLU 7 Cb 1.32 0.07 -0.11 0.00 0.63 0.00 0.00 28.75 30.66 1bqz h GLU 7 CO -0.00 0.81 -0.12 0.82 -0.73 0.00 0.00 179.01 179.78 1bqz h ILE 8 N 0.03 0.41 0.00 2.32 5.03 0.72 1.13 117.51 127.15 1bqz h ILE 8 Ca -0.28 -0.01 0.00 0.00 -0.12 0.00 0.00 64.86 64.46 1bqz h ILE 8 Cb 2.00 0.39 0.00 0.00 -3.03 0.00 0.00 36.82 36.18 1bqz h ILE 8 CO 0.10 0.00 0.00 0.18 -0.68 0.00 0.00 178.15 177.76 1bqz n LEU 9 N -5.39 0.23 0.00 1.44 4.77 -0.62 -4.86 117.00 112.57 1bqz n LEU 9 Ca 0.07 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1bqz n LEU 9 Cb 0.32 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 1bqz n LEU 9 CO 0.07 -0.15 0.00 0.61 -1.33 0.00 0.00 177.39 176.59 1bqz n GLY 10 N 0.97 0.54 4.03 -0.72 0.00 0.39 -4.58 105.19 105.81 1bqz n GLY 10 Ca 0.05 -0.63 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 1bqz n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bqz s VAL 11 N -2.00 2.39 0.34 1.61 1.01 0.26 -4.94 120.40 119.07 1bqz s VAL 11 Ca 0.00 -1.01 -0.18 0.00 0.00 0.00 0.00 61.98 60.80 1bqz s VAL 11 Cb 0.00 -2.39 -0.09 0.00 0.00 0.00 0.00 36.38 33.89 1bqz s VAL 11 CO 0.00 0.00 0.80 -0.55 0.00 0.00 0.00 175.10 175.35 1bqz s SER 12 N -4.57 6.88 0.66 3.32 0.15 -1.26 -3.74 113.70 115.14 1bqz s SER 12 Ca 0.60 1.43 0.21 0.00 0.70 0.00 0.00 55.95 58.88 1bqz s SER 12 Cb -0.07 -2.43 1.09 0.00 -1.71 0.00 0.00 66.02 62.90 1bqz s SER 12 CO 0.37 -0.21 1.61 0.07 1.20 0.00 0.00 173.24 176.29 1bqz h LYS 13 N 2.37 0.00 -0.31 5.44 2.10 -1.94 2.10 116.57 126.32 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 1.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.51 1bqz h LYS 13 CO 0.64 0.00 0.00 0.25 -2.00 0.00 0.00 179.45 178.34 1bqz n THR 14 N -2.84 1.22 0.00 0.07 -2.24 -1.26 -4.46 114.28 104.78 1bqz n THR 14 Ca 0.00 -1.16 0.00 0.00 -2.27 0.00 0.00 64.05 60.62 1bqz n THR 14 Cb 0.63 0.37 0.00 0.00 -2.10 0.00 0.00 70.33 69.23 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 0.27 0.00 0.00 6.98 0.00 0.71 -5.00 120.51 123.46 1bqz n ALA 15 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 1bqz n ALA 15 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 -0.29 0.00 -0.58 -1.26 -4.96 120.64 113.54 1bqz n GLU 16 Ca 0.00 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.78 1bqz n GLU 16 Cb 0.00 0.00 0.10 0.00 -0.57 0.00 0.00 31.44 30.97 1bqz n GLU 16 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1bqz n GLU 17 N 0.00 -0.08 -0.36 3.49 0.28 -1.26 0.12 120.64 122.82 1bqz n GLU 17 Ca 0.00 1.24 0.07 0.00 -0.16 0.00 0.00 57.16 58.32 1bqz n GLU 17 Cb 0.00 -1.86 0.24 0.00 1.43 0.00 0.00 31.44 31.25 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 0.95 0.00 3.44 0.11 -1.97 2.62 114.38 119.53 1bqz h ARG 18 Ca 0.37 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 60.39 1bqz h ARG 18 Cb 0.57 -0.21 0.00 0.00 1.11 0.00 0.00 29.97 31.44 1bqz h ARG 18 CO -0.82 0.63 -0.87 -0.85 0.10 0.00 0.00 179.97 178.15 1bqz n GLU 19 N -4.63 0.34 -0.07 0.08 0.28 0.23 -2.75 120.64 114.12 1bqz n GLU 19 Ca 0.19 0.05 -0.08 0.00 -0.16 0.00 0.00 57.16 57.16 1bqz n GLU 19 Cb 0.37 -1.66 -0.05 0.00 1.43 0.00 0.00 31.44 31.52 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 0.54 -0.32 3.84 1.08 0.30 -1.49 117.51 121.46 1bqz h ILE 20 Ca 0.00 -1.48 0.09 0.00 -0.39 0.00 0.00 64.86 63.08 1bqz h ILE 20 Cb 0.78 1.10 -0.01 0.00 -3.07 0.00 0.00 36.82 35.62 1bqz h ILE 20 CO 0.00 0.18 0.43 0.08 -0.69 0.00 0.00 178.15 178.16 1bqz h ARG 21 N -1.00 0.00 0.06 2.37 -0.00 0.43 -0.39 114.38 115.85 1bqz h ARG 21 Ca -0.05 0.00 -0.00 0.00 -0.00 0.00 0.00 59.98 59.92 1bqz h ARG 21 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.52 1bqz h ARG 21 CO -0.03 0.00 -0.03 -0.22 -0.00 0.00 0.00 179.97 179.69 1bqz h LYS 22 N 0.00 -0.08 -0.69 0.08 1.63 -1.49 -1.94 116.57 114.08 1bqz h LYS 22 Ca 0.15 0.01 0.15 0.00 -0.85 0.00 0.00 60.65 60.11 1bqz h LYS 22 Cb 1.01 0.02 -0.12 0.00 -0.60 0.00 0.00 32.23 32.54 1bqz h LYS 22 CO -0.00 0.51 0.00 0.00 -3.45 0.00 0.00 179.45 176.52 1bqz h ALA 23 N -0.11 0.70 -0.38 5.00 0.00 0.04 1.20 119.26 125.71 1bqz h ALA 23 Ca -0.01 0.22 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 1bqz h ALA 23 Cb 0.63 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1bqz h ALA 23 CO 0.01 -0.41 0.09 -0.92 0.00 0.00 0.00 179.25 178.03 1bqz h TYR 24 N 0.11 0.63 -0.15 0.00 3.20 -1.61 0.20 116.97 119.36 1bqz h TYR 24 Ca 0.37 -0.08 0.05 0.00 3.14 0.00 0.00 58.73 62.21 1bqz h TYR 24 Cb 0.63 -0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.65 1bqz h TYR 24 CO -0.40 0.62 -0.35 -0.22 -1.64 0.00 0.00 178.16 176.18 1bqz h LYS 25 N 0.46 -0.40 -0.26 1.82 1.63 0.11 2.49 116.57 122.43 1bqz h LYS 25 Ca 0.12 0.03 -0.18 0.00 -0.85 0.00 0.00 60.65 59.76 1bqz h LYS 25 Cb 0.31 0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 32.03 1bqz h LYS 25 CO 0.00 -0.26 -0.56 0.07 -3.45 0.00 0.00 179.45 175.25 1bqz h ARG 26 N -0.41 0.81 0.08 1.90 0.11 0.13 0.08 114.38 117.08 1bqz h ARG 26 Ca 0.10 -0.52 -0.25 0.00 0.10 0.00 0.00 59.98 59.40 1bqz h ARG 26 Cb 0.57 0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.70 1bqz h ARG 26 CO -0.38 1.15 -1.14 1.37 0.10 0.00 0.00 179.97 181.07 1bqz h LEU 27 N 0.62 0.28 0.14 0.08 8.10 -0.27 -3.03 115.31 121.24 1bqz h LEU 27 Ca 0.01 -0.30 -0.26 0.00 0.11 0.00 0.00 57.88 57.44 1bqz h LEU 27 Cb 1.16 -0.09 0.03 0.00 -0.44 0.00 0.00 40.66 41.31 1bqz h LEU 27 CO 0.12 1.22 -1.12 0.00 -4.11 0.00 0.00 178.44 174.56 1bqz h ALA 28 N 0.73 -0.06 -0.01 0.17 0.00 0.43 0.16 119.26 120.68 1bqz h ALA 28 Ca -0.09 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.08 1bqz h ALA 28 Cb 1.88 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 19.79 1bqz h ALA 28 CO 0.18 0.57 0.01 0.00 0.00 0.00 0.00 179.25 180.00 1bqz h MET 29 N 0.04 0.00 0.00 0.00 -0.00 -1.04 0.40 114.93 114.33 1bqz h MET 29 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.52 1bqz h MET 29 Cb 1.84 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.44 1bqz h MET 29 CO 0.21 0.00 -0.70 1.63 -0.00 0.00 0.00 176.91 178.05 1bqz n LYS 30 N -4.16 0.30 -0.14 -0.10 5.02 -1.13 -3.94 118.16 114.00 1bqz n LYS 30 Ca -0.03 0.07 0.05 0.00 -2.02 0.00 0.00 58.31 56.38 1bqz n LYS 30 Cb 0.10 -1.67 0.13 0.00 -0.02 0.00 0.00 35.03 33.56 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 -2.10 0.37 0.00 2.13 4.01 0.70 -4.86 117.16 117.41 1bqz n TYR 31 Ca 0.03 -0.45 0.00 0.00 -0.16 0.00 0.00 57.90 57.32 1bqz n TYR 31 Cb 0.44 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 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 0.40 -0.33 -0.34 -0.72 1.44 0.11 -3.98 115.22 111.80 1bqz n HIS 32 Ca 0.10 0.00 -0.07 0.00 -2.01 0.00 0.00 57.72 55.73 1bqz n HIS 32 Cb 0.39 0.00 -0.03 0.00 0.12 0.00 0.00 29.99 30.47 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 -0.08 -1.40 -0.04 -1.26 -3.30 135.00 129.77 1bqz n PRO 33 Ca 0.00 -0.64 -0.11 0.00 -0.04 0.00 0.00 63.50 62.70 1bqz n PRO 33 Cb 0.00 -1.94 -0.07 0.00 -0.04 0.00 0.00 33.50 31.45 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 3.70 2.61 0.00 3.54 2.03 -1.26 -4.84 116.55 122.32 1bqz n ASP 34 Ca 0.18 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1bqz n ASP 34 Cb 0.17 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 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 -3.04 1.90 -0.01 -0.67 -4.01 -1.21 -4.77 116.66 104.84 1bqz n ARG 35 Ca -0.27 0.00 0.22 0.00 -1.04 0.00 0.00 57.85 56.76 1bqz n ARG 35 Cb 0.78 -0.62 0.54 0.00 -3.04 0.00 0.00 32.46 30.11 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 0.49 2.89 2.35 -1.69 2.10 115.58 121.73 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 0.18 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.55 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 -3.30 0.51 -0.70 0.81 6.02 -1.26 -3.41 117.38 116.04 1bqz n GLN 37 Ca 0.13 -0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.18 1bqz n GLN 37 Cb 1.07 -1.50 0.12 0.00 1.02 0.00 0.00 30.24 30.95 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 1.25 3.53 3.08 1.08 0.00 0.71 -4.96 105.19 109.88 1bqz n GLY 38 Ca 0.16 -1.01 0.05 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.60 -0.18 -0.02 1.61 1.01 -1.16 -5.03 116.67 110.30 1bqz s ASP 39 Ca 0.31 0.00 0.04 0.00 0.71 0.00 0.00 52.55 53.62 1bqz s ASP 39 Cb 0.31 0.97 -0.25 0.00 1.01 0.00 0.00 42.92 44.97 1bqz s ASP 39 CO -0.07 -0.03 0.77 0.11 0.21 0.00 0.00 175.17 176.16 1bqz h LYS 40 N 6.82 0.12 -1.64 8.23 1.57 -1.91 -3.31 116.57 126.45 1bqz h LYS 40 Ca -0.10 -0.20 0.50 0.00 -1.87 0.00 0.00 60.65 58.98 1bqz h LYS 40 Cb 1.18 0.08 -0.10 0.00 0.08 0.00 0.00 32.23 33.47 1bqz h LYS 40 CO -0.14 0.87 1.14 1.05 -0.57 0.00 0.00 179.45 181.79 1bqz h GLU 41 N 0.03 0.02 0.00 3.15 4.11 -1.96 2.49 114.58 122.43 1bqz h GLU 41 Ca -0.25 -0.00 -0.06 0.00 0.07 0.00 0.00 59.36 59.12 1bqz h GLU 41 Cb 1.98 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 31.22 1bqz h GLU 41 CO 0.11 0.01 -1.01 0.00 0.07 0.00 0.00 179.01 178.20 1bqz h ALA 42 N 1.30 0.60 -1.26 1.06 0.00 -1.99 -3.35 119.26 115.63 1bqz h ALA 42 Ca 0.87 -0.29 0.45 0.00 0.00 0.00 0.00 54.91 55.95 1bqz h ALA 42 Cb 3.18 0.08 -0.15 0.00 0.00 0.00 0.00 17.79 20.90 1bqz h ALA 42 CO -0.20 0.32 0.77 1.49 0.00 0.00 0.00 179.25 181.63 1bqz h GLU 43 N 0.00 0.02 0.55 0.00 4.81 0.42 0.34 114.58 120.72 1bqz h GLU 43 Ca -0.05 -0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1bqz h GLU 43 Cb 1.20 -0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.58 1bqz h GLU 43 CO 0.02 0.01 -0.27 0.00 -0.73 0.00 0.00 179.01 178.05 1bqz h ALA 44 N 1.73 -1.01 -1.24 2.92 0.00 -1.70 -0.80 119.26 119.16 1bqz h ALA 44 Ca 0.86 -0.16 0.36 0.00 0.00 0.00 0.00 54.91 55.97 1bqz h ALA 44 Cb 2.61 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 20.63 1bqz h ALA 44 CO -0.55 -0.95 0.89 -0.22 0.00 0.00 0.00 179.25 178.41 1bqz h LYS 45 N -0.87 0.02 -0.14 0.00 3.64 -1.23 2.23 116.57 120.22 1bqz h LYS 45 Ca -0.08 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.27 1bqz h LYS 45 Cb 0.57 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.38 1bqz h LYS 45 CO 0.12 0.01 -0.02 0.74 -2.27 0.00 0.00 179.45 178.04 1bqz h PHE 46 N 0.02 0.29 0.00 1.91 0.04 -0.62 -2.81 116.94 115.77 1bqz h PHE 46 Ca 0.60 -0.06 -0.11 0.00 2.80 0.00 0.00 57.97 61.20 1bqz h PHE 46 Cb 2.34 -0.07 -0.02 0.00 2.20 0.00 0.00 35.95 40.40 1bqz h PHE 46 CO -0.00 0.53 -1.01 1.57 -0.60 0.00 0.00 178.31 178.80 1bqz h LYS 47 N -0.04 0.00 -0.90 1.51 -0.00 0.10 -3.21 116.57 114.04 1bqz h LYS 47 Ca 0.04 0.00 0.21 0.00 -0.00 0.00 0.00 60.65 60.90 1bqz h LYS 47 Cb 0.43 0.00 -0.06 0.00 -0.00 0.00 0.00 32.23 32.60 1bqz h LYS 47 CO 0.01 0.27 0.60 0.93 -0.00 0.00 0.00 179.45 181.26 1bqz h GLU 48 N 0.00 0.32 -0.41 0.07 4.39 0.35 0.81 114.58 120.11 1bqz h GLU 48 Ca -0.08 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.56 1bqz h GLU 48 Cb 1.38 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.95 1bqz h GLU 48 CO 0.04 0.21 0.11 0.82 -1.16 0.00 0.00 179.01 179.03 1bqz h ILE 49 N 0.33 1.23 0.00 3.13 2.04 -1.50 -1.68 117.51 121.06 1bqz h ILE 49 Ca 0.46 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 65.54 1bqz h ILE 49 Cb 1.27 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.30 1bqz h ILE 49 CO -0.15 0.27 -0.01 0.07 0.00 0.00 0.00 178.15 178.33 1bqz h LYS 50 N 0.52 0.00 -0.14 2.37 2.10 0.47 -0.61 116.57 121.29 1bqz h LYS 50 Ca 0.13 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.63 1bqz h LYS 50 Cb 0.30 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.62 1bqz h LYS 50 CO 0.00 0.01 -0.54 1.49 -2.00 0.00 0.00 179.45 178.41 1bqz h GLU 51 N 0.00 0.41 -1.02 0.07 4.81 -0.29 -3.09 114.58 115.47 1bqz h GLU 51 Ca -0.00 -0.25 0.41 0.00 -0.13 0.00 0.00 59.36 59.39 1bqz h GLU 51 Cb 0.02 0.03 -0.17 0.00 0.63 0.00 0.00 28.75 29.26 1bqz h GLU 51 CO 0.00 0.85 0.57 0.00 -0.73 0.00 0.00 179.01 179.70 1bqz n ALA 52 N -2.50 1.04 -0.22 2.92 0.00 -0.23 0.25 120.51 121.78 1bqz n ALA 52 Ca -0.03 0.95 0.13 0.00 0.00 0.00 0.00 53.44 54.49 1bqz n ALA 52 Cb 0.59 -0.98 0.43 0.00 0.00 0.00 0.00 19.45 19.49 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 0.66 0.00 0.00 0.05 -1.67 1.40 116.97 117.42 1bqz h TYR 53 Ca 0.82 0.02 0.00 0.00 0.05 0.00 0.00 58.73 59.62 1bqz h TYR 53 Cb 2.25 -0.21 0.00 0.00 1.01 0.00 0.00 36.73 39.78 1bqz h TYR 53 CO -0.01 0.26 0.00 0.93 -1.05 0.00 0.00 178.16 178.29 1bqz h GLU 54 N 0.57 0.00 0.00 4.88 5.08 0.32 0.42 114.58 125.86 1bqz h GLU 54 Ca 0.40 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.67 1bqz h GLU 54 Cb 0.74 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1bqz h GLU 54 CO -0.16 0.00 -1.24 0.28 -1.00 0.00 0.00 179.01 176.89 1bqz n VAL 55 N -2.39 1.46 0.07 3.13 0.31 0.46 -4.36 118.33 117.01 1bqz n VAL 55 Ca -0.01 0.05 -0.10 0.00 -0.01 0.00 0.00 64.34 64.27 1bqz n VAL 55 Cb 0.08 -2.19 -0.13 0.00 -0.91 0.00 0.00 33.84 30.69 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 -0.91 0.16 -1.93 7.52 8.10 -0.76 0.57 115.31 128.05 1bqz h LEU 56 Ca -0.14 -0.17 0.00 0.00 0.11 0.00 0.00 57.88 57.68 1bqz h LEU 56 Cb 1.05 -0.05 0.00 0.00 -0.44 0.00 0.00 40.66 41.22 1bqz h LEU 56 CO -0.08 1.14 0.00 0.35 -4.11 0.00 0.00 178.44 175.73 1bqz n THR 57 N -3.41 1.05 -3.68 0.15 -2.24 0.15 -4.65 114.28 101.65 1bqz n THR 57 Ca -0.04 -0.56 -0.25 0.00 -2.27 0.00 0.00 64.05 60.93 1bqz n THR 57 Cb 0.97 -0.31 -0.17 0.00 -2.10 0.00 0.00 70.33 68.72 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 -0.43 2.13 0.66 3.42 1.11 -1.20 -4.92 116.67 117.45 1bqz s ASP 58 Ca 0.23 -0.45 0.18 0.00 0.18 0.00 0.00 52.55 52.69 1bqz s ASP 58 Cb 0.16 -0.34 0.99 0.00 1.07 0.00 0.00 42.92 44.81 1bqz s ASP 58 CO 0.08 -0.30 1.56 0.28 1.18 0.00 0.00 175.17 177.97 1bqz h SER 59 N 8.37 0.00 0.93 0.27 0.02 -1.82 -2.06 113.55 119.25 1bqz h SER 59 Ca -0.15 0.00 -0.05 0.00 -0.84 0.00 0.00 61.79 60.75 1bqz h SER 59 Cb 1.13 0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.68 1bqz h SER 59 CO 0.27 0.00 -0.45 1.56 -1.14 0.00 0.00 176.83 177.07 1bqz h GLN 60 N 0.00 -1.21 0.00 3.45 7.50 -1.91 -2.77 115.11 120.18 1bqz h GLN 60 Ca 0.01 0.08 -0.00 0.00 0.50 0.00 0.00 58.65 59.24 1bqz h GLN 60 Cb 1.21 0.27 0.00 0.00 0.05 0.00 0.00 27.48 29.01 1bqz h GLN 60 CO -0.00 -0.80 -0.00 0.87 -1.50 0.00 0.00 178.83 177.39 1bqz h LYS 61 N -1.28 -0.00 -0.89 1.46 1.79 -1.47 -2.97 116.57 113.21 1bqz h LYS 61 Ca -0.13 0.00 0.26 0.00 -2.18 0.00 0.00 60.65 58.60 1bqz h LYS 61 Cb 0.96 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.58 1bqz h LYS 61 CO 0.21 0.82 0.77 0.07 -1.08 0.00 0.00 179.45 180.23 1bqz h ARG 62 N -0.99 0.00 0.00 3.15 0.11 0.48 2.32 114.38 119.44 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 0.82 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.90 1bqz h ARG 62 CO 0.00 0.00 -0.73 0.00 0.10 0.00 0.00 179.97 179.34 1bqz h ALA 63 N 1.31 0.62 0.07 0.08 0.00 -1.57 -3.04 119.26 116.74 1bqz h ALA 63 Ca 0.42 0.00 -0.29 0.00 0.00 0.00 0.00 54.91 55.04 1bqz h ALA 63 Cb 1.95 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.72 1bqz h ALA 63 CO -0.00 0.00 -1.57 0.00 0.00 0.00 0.00 179.25 177.67 1bqz h ALA 64 N 2.05 0.31 -0.36 0.00 0.00 0.36 -3.37 119.26 118.25 1bqz h ALA 64 Ca 0.00 -1.26 -0.07 0.00 0.00 0.00 0.00 54.91 53.58 1bqz h ALA 64 Cb 0.97 0.67 -0.02 0.00 0.00 0.00 0.00 17.79 19.42 1bqz h ALA 64 CO 0.00 0.96 -0.09 -0.92 0.00 0.00 0.00 179.25 179.21 1bqz h TYR 65 N -0.44 0.66 -0.53 0.00 3.20 0.62 -2.31 116.97 118.17 1bqz h TYR 65 Ca -0.37 -0.10 0.15 0.00 3.14 0.00 0.00 58.73 61.55 1bqz h TYR 65 Cb 1.68 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.75 1bqz h TYR 65 CO 0.10 0.68 0.76 0.38 -1.64 0.00 0.00 178.16 178.44 1bqz h ASP 66 N 0.57 0.00 -0.05 -2.11 2.03 -1.69 0.88 116.42 116.05 1bqz h ASP 66 Ca 0.11 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.41 1bqz h ASP 66 Cb 0.49 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.99 1bqz h ASP 66 CO 0.03 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.24 1bqz n GLN 67 N -3.30 1.14 -2.10 4.15 6.02 -0.91 -4.97 117.38 117.42 1bqz n GLN 67 Ca 0.11 -1.15 -0.18 0.00 -0.01 0.00 0.00 57.00 55.77 1bqz n GLN 67 Cb 0.94 -1.06 -0.03 0.00 1.02 0.00 0.00 30.24 31.11 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 -0.03 -0.78 0.00 1.08 4.01 0.30 -4.31 117.16 117.43 1bqz n TYR 68 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 1bqz n TYR 68 Cb 0.18 -3.44 0.00 0.00 -0.31 0.00 0.00 39.34 35.77 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 -0.73 2.32 0.06 2.72 0.00 -1.03 -4.62 105.19 103.91 1bqz n GLY 69 Ca -0.20 -1.83 0.05 0.00 0.00 0.00 0.00 46.02 44.04 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 1.71 0.27 -0.26 1.61 1.44 -1.26 -2.37 115.22 116.35 1bqz n HIS 70 Ca 0.00 0.13 0.10 0.00 -2.01 0.00 0.00 57.72 55.94 1bqz n HIS 70 Cb 0.00 -0.71 0.35 0.00 0.12 0.00 0.00 29.99 29.75 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 2.10 1.77 0.00 1.59 0.00 -1.86 1.16 119.26 124.01 1bqz h ALA 71 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1bqz h ALA 71 Cb 0.07 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1bqz h ALA 71 CO 0.00 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1bqz n ALA 72 N -2.43 1.40 -0.60 0.00 0.00 -1.00 -2.33 120.51 115.55 1bqz n ALA 72 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1bqz n ALA 72 Cb 0.40 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.56 0.00 -1.40 0.00 3.72 0.17 -5.13 117.46 113.25 1bqz n PHE 73 Ca 0.02 -0.10 0.09 0.00 -0.05 0.00 0.00 57.45 57.41 1bqz n PHE 73 Cb 0.11 -0.01 -0.05 0.00 -0.94 0.00 0.00 39.48 38.59 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 -0.10 -3.44 -2.92 -1.08 -0.58 0.35 -4.88 120.64 107.99 1bqz n GLU 74 Ca 0.00 2.75 -0.30 0.00 -0.42 0.00 0.00 57.16 59.19 1bqz n GLU 74 Cb 0.27 -3.68 -0.03 0.00 -0.57 0.00 0.00 31.44 27.43 1bqz n GLU 74 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 1bqz s GLN 75 N -4.73 3.77 0.18 3.49 -0.21 -1.26 -4.81 119.66 116.09 1bqz s GLN 75 Ca 0.00 0.43 -0.09 0.00 0.02 0.00 0.00 55.36 55.72 1bqz s GLN 75 Cb 0.00 -2.42 -0.01 0.00 1.00 0.00 0.00 33.01 31.58 1bqz s GLN 75 CO 0.00 -0.00 0.29 0.20 -2.12 0.00 0.00 175.29 173.66 1bqz s GLY 76 N -3.12 0.56 0.00 3.09 0.00 -1.26 -5.18 107.32 101.41 1bqz s GLY 76 Ca 0.51 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 44.27 1bqz s GLY 76 CO 0.31 -0.86 0.00 0.61 0.00 0.00 0.00 173.10 173.16