#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 -1.66 -1.91 0.00 5.02 -1.26 -5.10 118.16 113.26 1bqz n LYS 2 Ca 0.00 -2.01 0.00 0.00 -2.02 0.00 0.00 58.31 54.28 1bqz n LYS 2 Cb 0.00 -1.43 0.00 0.00 -0.02 0.00 0.00 35.03 33.58 1bqz n LYS 2 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1bqz n GLN 3 N -4.03 1.56 -3.74 1.97 3.00 -1.26 -5.13 117.38 109.74 1bqz n GLN 3 Ca 0.16 0.00 -0.28 0.00 -0.01 0.00 0.00 57.00 56.87 1bqz n GLN 3 Cb 0.58 0.00 -0.16 0.00 0.00 0.00 0.00 30.24 30.66 1bqz n GLN 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1bqz s ASP 4 N -0.91 3.19 0.16 1.08 1.11 -1.26 -5.02 116.67 115.02 1bqz s ASP 4 Ca 0.00 -1.00 -0.29 0.00 0.18 0.00 0.00 52.55 51.44 1bqz s ASP 4 Cb 0.00 -0.68 -0.02 0.00 1.07 0.00 0.00 42.92 43.29 1bqz s ASP 4 CO 0.00 -0.32 1.55 1.88 1.18 0.00 0.00 175.17 179.46 1bqz h TYR 5 N 8.20 -1.61 -0.81 4.23 -1.99 -1.95 3.58 116.97 126.62 1bqz h TYR 5 Ca -0.16 0.10 0.23 0.00 2.00 0.00 0.00 58.73 60.91 1bqz h TYR 5 Cb 1.10 0.80 -0.03 0.00 2.00 0.00 0.00 36.73 40.60 1bqz h TYR 5 CO 0.31 -0.42 0.76 1.88 -0.00 0.00 0.00 178.16 180.69 1bqz h TYR 6 N -0.17 0.00 0.02 4.88 0.05 -1.88 2.16 116.97 122.03 1bqz h TYR 6 Ca 0.16 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.64 1bqz h TYR 6 Cb 0.52 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.21 1bqz h TYR 6 CO -0.85 0.00 -1.72 1.49 -1.05 0.00 0.00 178.16 176.03 1bqz h GLU 7 N 0.00 0.04 0.30 4.88 4.81 0.51 2.37 114.58 127.48 1bqz h GLU 7 Ca 0.38 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 1bqz h GLU 7 Cb 1.89 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 31.26 1bqz h GLU 7 CO -0.00 0.60 -0.48 0.82 -0.73 0.00 0.00 179.01 179.22 1bqz h ILE 8 N 0.01 0.00 -0.58 2.32 2.04 2.06 -1.94 117.51 121.42 1bqz h ILE 8 Ca -0.29 0.00 -0.34 0.00 1.00 0.00 0.00 64.86 65.22 1bqz h ILE 8 Cb 2.01 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 37.92 1bqz h ILE 8 CO 0.08 0.00 0.44 0.18 0.00 0.00 0.00 178.15 178.85 1bqz n LEU 9 N -5.26 5.87 -2.43 1.44 4.77 -0.48 -4.80 117.00 116.12 1bqz n LEU 9 Ca -0.10 -3.07 -0.06 0.00 -0.03 0.00 0.00 56.01 52.75 1bqz n LEU 9 Cb 0.41 -0.85 -0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1bqz n LEU 9 CO 0.20 1.02 -0.08 0.61 -1.33 0.00 0.00 177.39 177.81 1bqz n GLY 10 N -0.22 -0.46 3.59 -0.72 0.00 -0.73 -4.19 105.19 102.46 1bqz n GLY 10 Ca 0.36 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.29 4.87 0.45 1.61 1.01 0.80 -4.92 120.40 121.92 1bqz s VAL 11 Ca 0.00 0.81 -0.21 0.00 0.00 0.00 0.00 61.98 62.57 1bqz s VAL 11 Cb 0.00 -4.08 -0.12 0.00 0.00 0.00 0.00 36.38 32.18 1bqz s VAL 11 CO 0.00 -0.26 0.51 -0.24 0.00 0.00 0.00 175.10 175.10 1bqz n SER 12 N 6.07 -1.05 -0.12 3.32 2.88 -1.25 -3.84 113.62 119.62 1bqz n SER 12 Ca 0.00 0.86 0.24 0.00 -1.33 0.00 0.00 58.87 58.65 1bqz n SER 12 Cb 0.49 -1.11 0.42 0.00 -0.75 0.00 0.00 64.21 63.25 1bqz n SER 12 CO 0.00 0.00 0.00 0.07 -1.23 0.00 0.00 175.04 173.88 1bqz h LYS 13 N 0.66 0.00 -0.05 -1.46 2.10 -1.94 2.13 116.57 118.01 1bqz h LYS 13 Ca -0.41 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.15 1bqz h LYS 13 Cb 1.40 0.00 -0.15 0.00 -0.90 0.00 0.00 32.23 32.58 1bqz h LYS 13 CO 0.50 0.00 -0.69 0.25 -2.00 0.00 0.00 179.45 177.51 1bqz n THR 14 N -3.19 1.55 0.00 0.07 -2.24 -1.26 -4.55 114.28 104.65 1bqz n THR 14 Ca 0.19 -2.63 0.00 0.00 -2.27 0.00 0.00 64.05 59.34 1bqz n THR 14 Cb 1.39 0.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.74 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 -0.61 0.00 -3.00 6.98 0.00 0.72 -5.08 120.51 119.53 1bqz n ALA 15 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1bqz n ALA 15 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.29 1bqz n ALA 15 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1bqz n GLU 16 N 0.00 0.09 0.03 0.00 0.00 -1.26 -4.92 120.64 114.58 1bqz n GLU 16 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 57.16 56.99 1bqz n GLU 16 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 31.44 31.30 1bqz n GLU 16 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.13 178.62 1bqz h GLU 17 N 0.00 0.21 0.00 5.31 4.22 -1.98 -3.34 114.58 119.01 1bqz h GLU 17 Ca 0.00 -0.37 0.00 0.00 0.08 0.00 0.00 59.36 59.07 1bqz h GLU 17 Cb 0.00 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1bqz h GLU 17 CO 0.00 1.04 0.00 2.89 -2.18 0.00 0.00 179.01 180.76 1bqz n ARG 18 N -3.39 0.00 -0.28 1.92 1.85 -1.26 0.15 116.66 115.65 1bqz n ARG 18 Ca -0.23 0.52 0.34 0.00 -1.00 0.00 0.00 57.85 57.48 1bqz n ARG 18 Cb 1.05 -1.09 0.69 0.00 -1.05 0.00 0.00 32.46 32.06 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 -0.49 2.89 9.09 -1.85 2.52 114.58 126.75 1bqz h GLU 19 Ca 0.00 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.28 1bqz h GLU 19 Cb 0.00 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.09 1bqz h GLU 19 CO 0.00 0.00 -0.20 0.82 0.05 0.00 0.00 179.01 179.68 1bqz h ILE 20 N 0.00 1.27 0.00 -1.06 5.03 0.46 1.22 117.51 124.43 1bqz h ILE 20 Ca 0.54 -1.36 -0.01 0.00 -0.12 0.00 0.00 64.86 63.90 1bqz h ILE 20 Cb 2.44 1.11 -0.00 0.00 -3.03 0.00 0.00 36.82 37.34 1bqz h ILE 20 CO -0.01 0.47 -0.86 0.08 -0.68 0.00 0.00 178.15 177.15 1bqz h ARG 21 N 0.86 0.00 0.04 2.37 -0.00 1.28 -3.29 114.38 115.63 1bqz h ARG 21 Ca 0.11 0.00 -0.27 0.00 -0.00 0.00 0.00 59.98 59.82 1bqz h ARG 21 Cb 0.78 0.00 -0.03 0.00 -0.00 0.00 0.00 29.97 30.72 1bqz h ARG 21 CO 0.06 0.03 -1.49 -0.22 -0.00 0.00 0.00 179.97 178.35 1bqz h LYS 22 N 0.00 0.09 0.00 0.08 1.63 0.18 -3.24 116.57 115.32 1bqz h LYS 22 Ca -0.01 -0.16 -0.05 0.00 -0.85 0.00 0.00 60.65 59.58 1bqz h LYS 22 Cb 1.05 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.73 1bqz h LYS 22 CO 0.00 1.08 -0.23 0.00 -3.45 0.00 0.00 179.45 176.85 1bqz h ALA 23 N -0.30 1.18 0.01 5.00 0.00 0.13 -0.47 119.26 124.82 1bqz h ALA 23 Ca -0.37 -0.21 -0.20 0.00 0.00 0.00 0.00 54.91 54.13 1bqz h ALA 23 Cb 1.55 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.28 1bqz h ALA 23 CO -0.11 0.29 -1.06 -0.92 0.00 0.00 0.00 179.25 177.46 1bqz h TYR 24 N 0.00 0.05 0.00 0.00 3.20 -1.69 -3.27 116.97 115.25 1bqz h TYR 24 Ca -0.00 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1bqz h TYR 24 Cb 0.59 -0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.86 1bqz h TYR 24 CO 0.00 1.41 0.00 1.17 -1.64 0.00 0.00 178.16 179.10 1bqz n LYS 25 N -4.40 0.08 -0.05 1.82 0.00 -1.22 0.97 118.16 115.36 1bqz n LYS 25 Ca -0.27 0.44 -0.08 0.00 0.00 0.00 0.00 58.31 58.39 1bqz n LYS 25 Cb 0.67 -1.69 -0.08 0.00 0.00 0.00 0.00 35.03 33.94 1bqz n LYS 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bqz h ARG 26 N 0.00 -0.02 0.00 1.64 2.47 -1.16 -1.39 114.38 115.92 1bqz h ARG 26 Ca 0.00 0.00 -0.13 0.00 -1.26 0.00 0.00 59.98 58.60 1bqz h ARG 26 Cb 0.16 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.47 1bqz h ARG 26 CO 0.00 0.56 -0.60 1.37 0.56 0.00 0.00 179.97 181.86 1bqz h LEU 27 N -0.99 0.00 -0.04 3.04 8.10 -1.55 -3.07 115.31 120.80 1bqz h LEU 27 Ca -0.00 0.00 -0.26 0.00 0.11 0.00 0.00 57.88 57.73 1bqz h LEU 27 Cb 0.58 0.00 0.02 0.00 -0.44 0.00 0.00 40.66 40.82 1bqz h LEU 27 CO 0.00 0.60 -1.04 0.00 -4.11 0.00 0.00 178.44 173.89 1bqz h ALA 28 N 1.40 0.19 0.00 0.17 0.00 0.49 0.11 119.26 121.62 1bqz h ALA 28 Ca -0.01 -0.71 -0.04 0.00 0.00 0.00 0.00 54.91 54.15 1bqz h ALA 28 Cb 1.42 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 1bqz h ALA 28 CO 0.08 0.73 -0.17 0.00 0.00 0.00 0.00 179.25 179.89 1bqz h MET 29 N 0.33 0.00 0.00 0.00 -0.00 -1.29 0.20 114.93 114.16 1bqz h MET 29 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.58 1bqz h MET 29 Cb 1.69 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.29 1bqz h MET 29 CO 0.20 0.17 -0.67 0.87 -0.00 0.00 0.00 176.91 177.48 1bqz h LYS 30 N 0.00 0.00 -0.01 -0.10 1.57 -1.41 -3.33 116.57 113.29 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 0.53 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.84 1bqz h LYS 30 CO 0.02 0.00 -0.06 0.66 -0.57 0.00 0.00 179.45 179.50 1bqz n TYR 31 N -2.18 0.00 0.00 -1.35 4.01 0.01 -4.78 117.16 112.86 1bqz n TYR 31 Ca 0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 1bqz n TYR 31 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.48 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 0.52 0.00 -0.42 -0.72 1.44 0.60 -4.00 115.22 112.64 1bqz n HIS 32 Ca 0.07 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.67 1bqz n HIS 32 Cb 0.31 0.00 -0.02 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 1.10 -0.03 -1.40 -0.04 -1.26 -3.28 135.00 130.09 1bqz n PRO 33 Ca 0.00 -0.87 -0.04 0.00 -0.04 0.00 0.00 63.50 62.55 1bqz n PRO 33 Cb 0.00 -2.10 -0.03 0.00 -0.04 0.00 0.00 33.50 31.33 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 4.03 3.54 0.00 3.54 2.03 -1.26 -4.86 116.55 123.57 1bqz n ASP 34 Ca 0.23 -0.03 0.00 0.00 0.52 0.00 0.00 54.79 55.52 1bqz n ASP 34 Cb 0.15 0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.62 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 -2.58 2.10 -0.43 -0.67 -4.01 -1.20 -4.78 116.66 105.09 1bqz n ARG 35 Ca -0.11 0.00 0.40 0.00 -1.04 0.00 0.00 57.85 57.10 1bqz n ARG 35 Cb 0.64 -0.60 0.66 0.00 -3.04 0.00 0.00 32.46 30.12 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 -0.26 -1.69 2.45 115.58 118.97 1bqz h ASN 36 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 1bqz h ASN 36 Cb 0.14 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.40 1bqz h ASN 36 CO 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 177.43 176.37 1bqz n GLN 37 N -3.68 0.99 -0.42 0.81 6.02 -1.26 -3.22 117.38 116.63 1bqz n GLN 37 Ca 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.31 1bqz n GLN 37 Cb 1.67 -1.13 0.00 0.00 1.02 0.00 0.00 30.24 31.80 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 0.62 0.20 0.00 1.08 0.00 0.82 -5.04 105.19 102.87 1bqz n GLY 38 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1bqz n GLY 38 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1bqz n ASP 39 N 0.00 0.00 0.12 1.61 8.00 -1.02 -5.02 116.55 120.24 1bqz n ASP 39 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1bqz n ASP 39 Cb 0.63 0.00 0.03 0.00 -0.02 0.00 0.00 41.12 41.75 1bqz n ASP 39 CO 0.00 0.00 0.00 0.11 -0.39 0.00 0.00 177.20 176.92 1bqz h LYS 40 N 0.00 0.00 -1.17 -1.24 1.57 -1.88 -3.32 116.57 110.53 1bqz h LYS 40 Ca 0.00 0.00 0.34 0.00 -1.87 0.00 0.00 60.65 59.12 1bqz h LYS 40 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.26 1bqz h LYS 40 CO 0.00 0.00 1.04 1.05 -0.57 0.00 0.00 179.45 180.97 1bqz h GLU 41 N 0.00 0.00 0.00 3.15 4.11 -1.95 2.86 114.58 122.75 1bqz h GLU 41 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1bqz h GLU 41 Cb 0.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.24 1bqz h GLU 41 CO 0.00 0.00 -0.51 0.00 0.07 0.00 0.00 179.01 178.57 1bqz h ALA 42 N 1.02 0.66 -0.40 1.06 0.00 -2.00 -3.38 119.26 116.23 1bqz h ALA 42 Ca 0.56 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.51 1bqz h ALA 42 Cb 2.64 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 20.36 1bqz h ALA 42 CO -0.01 0.00 -0.47 1.49 0.00 0.00 0.00 179.25 180.27 1bqz h GLU 43 N 0.00 -0.28 -0.85 0.00 4.57 0.49 -0.89 114.58 117.63 1bqz h GLU 43 Ca 0.00 0.02 0.18 0.00 -1.18 0.00 0.00 59.36 58.38 1bqz h GLU 43 Cb 0.76 0.06 -0.16 0.00 -0.16 0.00 0.00 28.75 29.26 1bqz h GLU 43 CO 0.00 -0.19 -0.13 0.00 -1.18 0.00 0.00 179.01 177.51 1bqz h ALA 44 N -0.20 0.69 -0.88 2.92 0.00 -1.74 2.16 119.26 122.21 1bqz h ALA 44 Ca 0.07 0.31 0.26 0.00 0.00 0.00 0.00 54.91 55.55 1bqz h ALA 44 Cb 0.48 0.59 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 1bqz h ALA 44 CO -0.53 -0.43 0.89 -0.22 0.00 0.00 0.00 179.25 178.96 1bqz h LYS 45 N 0.02 0.00 -0.02 0.00 3.64 -1.41 1.41 116.57 120.22 1bqz h LYS 45 Ca 0.43 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.81 1bqz h LYS 45 Cb 0.73 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.55 1bqz h LYS 45 CO -0.84 0.00 -0.01 0.74 -2.27 0.00 0.00 179.45 177.08 1bqz h PHE 46 N 0.00 0.04 0.00 1.91 0.04 0.36 -2.57 116.94 116.72 1bqz h PHE 46 Ca 0.42 -0.01 -0.11 0.00 2.80 0.00 0.00 57.97 61.07 1bqz h PHE 46 Cb 2.19 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 40.31 1bqz h PHE 46 CO 0.00 0.44 -0.94 1.57 -0.60 0.00 0.00 178.31 178.79 1bqz h LYS 47 N -0.38 0.00 -0.75 1.51 -0.00 -0.29 -2.39 116.57 114.27 1bqz h LYS 47 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 60.65 60.79 1bqz h LYS 47 Cb 0.43 0.00 -0.05 0.00 -0.00 0.00 0.00 32.23 32.61 1bqz h LYS 47 CO 0.00 0.32 0.50 0.93 -0.00 0.00 0.00 179.45 181.20 1bqz h GLU 48 N 0.00 0.45 0.00 0.07 4.39 0.17 1.27 114.58 120.93 1bqz h GLU 48 Ca -0.07 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1bqz h GLU 48 Cb 1.41 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 1bqz h GLU 48 CO 0.05 0.30 -0.00 0.82 -1.16 0.00 0.00 179.01 179.01 1bqz h ILE 49 N 0.46 1.27 -0.48 3.13 2.04 -1.42 -3.28 117.51 119.22 1bqz h ILE 49 Ca 0.36 -1.94 0.08 0.00 1.00 0.00 0.00 64.86 64.37 1bqz h ILE 49 Cb 0.77 2.39 -0.07 0.00 -0.74 0.00 0.00 36.82 39.16 1bqz h ILE 49 CO -0.12 0.43 0.07 0.50 0.00 0.00 0.00 178.15 179.02 1bqz h LYS 50 N -1.00 0.19 -1.10 2.37 3.64 -0.72 0.23 116.57 120.19 1bqz h LYS 50 Ca -0.00 -0.01 0.31 0.00 -1.27 0.00 0.00 60.65 59.68 1bqz h LYS 50 Cb 0.70 -0.04 -0.06 0.00 -0.41 0.00 0.00 32.23 32.42 1bqz h LYS 50 CO 0.00 0.12 0.77 1.49 -2.27 0.00 0.00 179.45 179.56 1bqz h GLU 51 N 0.19 0.11 -0.83 1.90 4.57 0.15 0.16 114.58 120.84 1bqz h GLU 51 Ca 0.24 -0.01 0.24 0.00 -1.18 0.00 0.00 59.36 58.65 1bqz h GLU 51 Cb 0.33 -0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.86 1bqz h GLU 51 CO -0.34 0.08 1.06 0.00 -1.18 0.00 0.00 179.01 178.63 1bqz h ALA 52 N 1.49 2.72 0.14 2.92 0.00 -0.59 0.36 119.26 126.30 1bqz h ALA 52 Ca 0.55 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.43 1bqz h ALA 52 Cb 1.96 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.81 1bqz h ALA 52 CO -0.10 -1.49 -0.07 1.88 0.00 0.00 0.00 179.25 179.48 1bqz h TYR 53 N 0.00 -0.17 -1.03 0.00 0.05 -0.83 0.28 116.97 115.27 1bqz h TYR 53 Ca 0.39 -0.00 0.30 0.00 0.05 0.00 0.00 58.73 59.47 1bqz h TYR 53 Cb 2.51 0.06 -0.04 0.00 1.01 0.00 0.00 36.73 40.26 1bqz h TYR 53 CO 0.00 0.08 0.96 0.93 -1.05 0.00 0.00 178.16 179.07 1bqz h GLU 54 N -0.41 0.00 0.00 4.88 5.08 -0.49 2.29 114.58 125.93 1bqz h GLU 54 Ca -0.02 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.15 1bqz h GLU 54 Cb 0.33 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1bqz h GLU 54 CO 0.03 0.00 -1.19 1.55 -1.00 0.00 0.00 179.01 178.40 1bqz n VAL 55 N -3.66 1.51 0.08 3.13 3.14 -0.74 -4.57 118.33 117.21 1bqz n VAL 55 Ca 0.22 0.01 0.10 0.00 -2.96 0.00 0.00 64.34 61.71 1bqz n VAL 55 Cb 1.29 -2.12 -0.03 0.00 -1.06 0.00 0.00 33.84 31.92 1bqz n VAL 55 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 1bqz n LEU 56 N -4.46 0.75 -1.62 6.55 -0.00 0.90 0.13 117.00 119.25 1bqz n LEU 56 Ca -0.28 0.29 -0.11 0.00 -0.00 0.00 0.00 56.01 55.92 1bqz n LEU 56 Cb 0.60 -0.04 0.05 0.00 -0.00 0.00 0.00 43.42 44.03 1bqz n LEU 56 CO 0.15 -0.13 0.98 0.35 -0.00 0.00 0.00 177.39 178.74 1bqz n THR 57 N -2.65 2.19 -3.61 1.96 -2.24 0.75 -4.28 114.28 106.41 1bqz n THR 57 Ca -0.02 -1.03 -0.10 0.00 -2.27 0.00 0.00 64.05 60.64 1bqz n THR 57 Cb 0.58 -1.10 -0.10 0.00 -2.10 0.00 0.00 70.33 67.61 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 0.42 -0.02 0.34 3.42 -1.08 -1.26 -4.91 116.67 113.59 1bqz s ASP 58 Ca 0.22 0.77 0.13 0.00 -0.52 0.00 0.00 52.55 53.15 1bqz s ASP 58 Cb 0.18 1.15 1.09 0.00 -1.46 0.00 0.00 42.92 43.87 1bqz s ASP 58 CO 0.02 -0.24 1.58 0.28 0.52 0.00 0.00 175.17 177.32 1bqz h SER 59 N 8.20 -0.02 0.40 -0.34 0.02 -1.91 0.87 113.55 120.78 1bqz h SER 59 Ca -0.16 0.27 -0.21 0.00 -0.84 0.00 0.00 61.79 60.85 1bqz h SER 59 Cb 1.12 0.36 -0.00 0.00 0.14 0.00 0.00 62.40 64.01 1bqz h SER 59 CO 0.15 -0.40 -0.90 -0.61 -1.14 0.00 0.00 176.83 173.94 1bqz h GLN 60 N 0.01 0.35 0.01 3.45 4.15 -1.95 -2.23 115.11 118.89 1bqz h GLN 60 Ca 0.74 -0.36 -0.04 0.00 0.77 0.00 0.00 58.65 59.76 1bqz h GLN 60 Cb 1.80 0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.59 1bqz h GLN 60 CO -0.83 1.04 -0.15 0.87 -1.93 0.00 0.00 178.83 177.83 1bqz h LYS 61 N 0.20 0.08 0.00 1.69 1.79 0.32 -0.60 116.57 120.05 1bqz h LYS 61 Ca -0.06 -0.11 -0.04 0.00 -2.18 0.00 0.00 60.65 58.27 1bqz h LYS 61 Cb 1.52 0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 32.20 1bqz h LYS 61 CO 0.15 0.93 -0.17 0.07 -1.08 0.00 0.00 179.45 179.36 1bqz h ARG 62 N -0.72 0.00 0.00 3.15 0.11 0.62 0.51 114.38 118.06 1bqz h ARG 62 Ca -0.02 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.94 1bqz h ARG 62 Cb 1.00 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.06 1bqz h ARG 62 CO 0.03 0.17 -1.16 0.00 0.10 0.00 0.00 179.97 179.11 1bqz h ALA 63 N 1.83 0.63 0.00 0.08 0.00 -1.46 -3.04 119.26 117.30 1bqz h ALA 63 Ca -0.00 -0.56 -0.21 0.00 0.00 0.00 0.00 54.91 54.13 1bqz h ALA 63 Cb 0.65 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.57 1bqz h ALA 63 CO 0.02 0.62 -1.23 0.00 0.00 0.00 0.00 179.25 178.67 1bqz n ALA 64 N -2.31 0.76 0.24 0.00 0.00 -0.23 -4.20 120.51 114.77 1bqz n ALA 64 Ca -0.05 -0.50 0.10 0.00 0.00 0.00 0.00 53.44 52.98 1bqz n ALA 64 Cb 0.75 -0.47 0.61 0.00 0.00 0.00 0.00 19.45 20.34 1bqz n ALA 64 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1bqz h TYR 65 N -1.00 0.00 -0.97 0.00 -1.99 -0.16 -2.32 116.97 110.53 1bqz h TYR 65 Ca -0.32 0.00 0.26 0.00 2.00 0.00 0.00 58.73 60.67 1bqz h TYR 65 Cb 1.23 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.90 1bqz h TYR 65 CO 0.05 0.18 0.67 0.38 -0.00 0.00 0.00 178.16 179.45 1bqz h ASP 66 N 0.00 0.16 -0.08 3.88 2.03 -1.68 0.17 116.42 120.90 1bqz h ASP 66 Ca -0.00 0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.32 1bqz h ASP 66 Cb 0.44 -0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.94 1bqz h ASP 66 CO 0.02 0.05 0.00 0.00 -1.03 0.00 0.00 179.24 178.28 1bqz n GLN 67 N -4.37 2.77 -3.70 4.15 6.02 -0.96 -4.97 117.38 116.32 1bqz n GLN 67 Ca 0.21 -1.80 -0.28 0.00 -0.01 0.00 0.00 57.00 55.12 1bqz n GLN 67 Cb 0.94 -1.15 -0.00 0.00 1.02 0.00 0.00 30.24 31.05 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 -0.39 -1.89 0.00 1.08 4.02 0.60 -3.80 117.16 116.78 1bqz n TYR 68 Ca 0.05 0.65 0.00 0.00 -0.01 0.00 0.00 57.90 58.59 1bqz n TYR 68 Cb 0.36 -3.18 0.00 0.00 -0.02 0.00 0.00 39.34 36.50 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 -1.34 1.50 0.00 2.72 0.00 -1.04 -4.57 105.19 102.45 1bqz n GLY 69 Ca 0.02 -2.03 0.07 0.00 0.00 0.00 0.00 46.02 44.09 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 1.43 0.00 0.09 1.61 1.44 -1.26 -3.29 115.22 115.24 1bqz n HIS 70 Ca 0.00 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.58 1bqz n HIS 70 Cb 0.00 0.00 -0.11 0.00 0.12 0.00 0.00 29.99 30.00 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 3.31 0.21 0.00 1.59 0.00 -1.82 1.74 119.26 124.29 1bqz h ALA 71 Ca 0.00 -0.85 -0.01 0.00 0.00 0.00 0.00 54.91 54.05 1bqz h ALA 71 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1bqz h ALA 71 CO 0.00 0.99 -0.03 0.00 0.00 0.00 0.00 179.25 180.21 1bqz h ALA 72 N 0.71 1.34 0.00 0.00 0.00 -1.65 -3.24 119.26 116.43 1bqz h ALA 72 Ca -0.10 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1bqz h ALA 72 Cb 1.84 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.63 1bqz h ALA 72 CO 0.18 0.04 -0.96 1.19 0.00 0.00 0.00 179.25 179.71 1bqz n PHE 73 N -3.62 0.00 -4.75 0.00 3.01 -1.20 -5.11 117.46 105.78 1bqz n PHE 73 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 1bqz n PHE 73 Cb 0.13 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.60 1bqz n PHE 73 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 1bqz n GLU 74 N -2.11 0.00 -1.68 -1.08 1.02 0.59 -4.65 120.64 112.73 1bqz n GLU 74 Ca 0.00 0.00 -0.46 0.00 -0.02 0.00 0.00 57.16 56.68 1bqz n GLU 74 Cb 0.48 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.86 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 5.60 2.25 -0.12 3.49 1.13 -1.26 -4.89 117.38 123.58 1bqz n GLN 75 Ca 0.00 0.82 -0.21 0.00 -1.94 0.00 0.00 57.00 55.66 1bqz n GLN 75 Cb 0.00 -2.61 -0.07 0.00 0.11 0.00 0.00 30.24 27.67 1bqz n GLN 75 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1bqz n GLY 76 N 3.66 -0.50 0.00 1.08 0.00 -1.26 -5.21 105.19 102.95 1bqz n GLY 76 Ca 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.99 1bqz n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93