#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 0.23 -1.08 0.00 -2.85 -1.26 -5.01 119.74 109.78 1bqz s LYS 2 Ca 0.00 0.41 -0.12 0.00 -1.00 0.00 0.00 55.97 55.26 1bqz s LYS 2 Cb 0.00 0.08 -0.05 0.00 -2.06 0.00 0.00 37.83 35.80 1bqz s LYS 2 CO 0.00 -0.05 0.87 1.04 0.10 0.00 0.00 175.35 177.31 1bqz n GLN 3 N 3.60 -1.84 -3.60 1.78 6.02 -1.26 -4.94 117.38 117.15 1bqz n GLN 3 Ca -0.17 0.73 -0.40 0.00 -0.01 0.00 0.00 57.00 57.15 1bqz n GLN 3 Cb 0.57 -5.17 -0.08 0.00 1.02 0.00 0.00 30.24 26.57 1bqz n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1bqz s ASP 4 N -3.41 5.65 0.03 1.08 1.01 -1.26 -4.96 116.67 114.81 1bqz s ASP 4 Ca 0.46 -2.21 -0.07 0.00 0.71 0.00 0.00 52.55 51.44 1bqz s ASP 4 Cb -0.10 -1.97 -0.02 0.00 1.01 0.00 0.00 42.92 41.84 1bqz s ASP 4 CO 0.79 -0.59 0.72 -1.22 0.21 0.00 0.00 175.17 175.08 1bqz n TYR 5 N 4.47 -0.09 -0.13 4.23 4.02 -1.26 0.43 117.16 128.82 1bqz n TYR 5 Ca -0.01 0.27 0.28 0.00 -0.01 0.00 0.00 57.90 58.42 1bqz n TYR 5 Cb 0.41 -0.39 0.69 0.00 -0.02 0.00 0.00 39.34 40.02 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 0.00 0.02 -0.72 0.05 -1.89 2.20 116.97 116.63 1bqz h TYR 6 Ca 0.03 0.00 -0.30 0.00 0.05 0.00 0.00 58.73 58.52 1bqz h TYR 6 Cb 0.09 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 37.78 1bqz h TYR 6 CO -0.59 0.00 -1.71 1.49 -1.05 0.00 0.00 178.16 176.30 1bqz h GLU 7 N 0.00 0.03 0.05 4.88 4.57 0.86 2.17 114.58 127.14 1bqz h GLU 7 Ca 0.40 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.54 1bqz h GLU 7 Cb 1.92 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 30.48 1bqz h GLU 7 CO -0.00 0.60 -0.51 0.82 -1.18 0.00 0.00 179.01 178.74 1bqz h ILE 8 N 0.01 0.03 -0.56 2.32 1.08 2.14 -0.64 117.51 121.89 1bqz h ILE 8 Ca -0.29 0.00 -0.30 0.00 -0.39 0.00 0.00 64.86 63.88 1bqz h ILE 8 Cb 2.01 0.03 -0.17 0.00 -3.07 0.00 0.00 36.82 35.62 1bqz h ILE 8 CO 0.08 0.00 0.38 0.18 -0.69 0.00 0.00 178.15 178.11 1bqz n LEU 9 N -5.47 5.26 -2.12 1.44 4.32 -0.47 -4.80 117.00 115.15 1bqz n LEU 9 Ca -0.07 -2.76 -0.07 0.00 -0.02 0.00 0.00 56.01 53.08 1bqz n LEU 9 Cb 0.40 -0.72 -0.01 0.00 -1.62 0.00 0.00 43.42 41.46 1bqz n LEU 9 CO 0.14 0.85 -0.09 0.61 -1.22 0.00 0.00 177.39 177.69 1bqz n GLY 10 N -0.38 -0.17 3.54 -0.72 0.00 -0.25 -4.35 105.19 102.86 1bqz n GLY 10 Ca 0.34 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.17 4.71 0.37 1.61 1.01 0.73 -4.93 120.40 121.73 1bqz s VAL 11 Ca 0.00 0.40 -0.23 0.00 0.00 0.00 0.00 61.98 62.15 1bqz s VAL 11 Cb 0.00 -4.28 -0.15 0.00 0.00 0.00 0.00 36.38 31.96 1bqz s VAL 11 CO 0.00 -0.65 0.36 -1.20 0.00 0.00 0.00 175.10 173.61 1bqz n SER 12 N 6.56 -1.72 0.08 3.32 7.64 -1.25 -3.88 113.62 124.37 1bqz n SER 12 Ca 0.01 0.91 0.15 0.00 1.01 0.00 0.00 58.87 60.96 1bqz n SER 12 Cb 0.48 -0.99 0.32 0.00 -1.01 0.00 0.00 64.21 63.01 1bqz n SER 12 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1bqz h LYS 13 N 0.67 0.00 0.00 1.43 2.10 -1.93 1.88 116.57 120.71 1bqz h LYS 13 Ca -0.37 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.27 1bqz h LYS 13 Cb 1.42 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 32.72 1bqz h LYS 13 CO 0.51 0.00 -0.36 0.25 -2.00 0.00 0.00 179.45 177.85 1bqz n THR 14 N -2.95 1.79 0.00 0.07 -2.24 -1.26 -4.43 114.28 105.26 1bqz n THR 14 Ca 0.10 -2.52 0.00 0.00 -2.27 0.00 0.00 64.05 59.36 1bqz n THR 14 Cb 1.14 -0.10 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 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 -1.04 0.00 -3.00 6.98 0.00 0.64 -5.08 120.51 119.01 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 0.71 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.16 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 0.05 0.00 1.02 -1.26 -4.95 120.64 115.49 1bqz n GLU 16 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 1bqz n GLU 16 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 31.44 31.36 1bqz n GLU 16 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 1bqz h GLU 17 N 0.00 0.00 0.00 3.49 4.11 -1.98 -3.28 114.58 116.93 1bqz h GLU 17 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.40 1bqz h GLU 17 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1bqz h GLU 17 CO 0.00 0.26 -0.16 0.07 0.07 0.00 0.00 179.01 179.25 1bqz h ARG 18 N 0.00 0.00 0.00 1.06 0.11 -1.97 0.46 114.38 114.04 1bqz h ARG 18 Ca -0.13 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 59.92 1bqz h ARG 18 Cb 1.49 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.57 1bqz h ARG 18 CO 0.04 0.16 -0.85 1.05 0.10 0.00 0.00 179.97 180.47 1bqz h GLU 19 N 0.00 0.00 0.04 0.08 9.09 -1.89 -1.95 114.58 119.95 1bqz h GLU 19 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.41 1bqz h GLU 19 Cb 0.29 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.39 1bqz h GLU 19 CO 0.02 0.07 -0.02 0.82 0.05 0.00 0.00 179.01 179.95 1bqz h ILE 20 N 0.00 1.36 0.00 -1.06 1.08 -1.13 0.55 117.51 118.32 1bqz h ILE 20 Ca -0.02 -1.48 0.00 0.00 -0.39 0.00 0.00 64.86 62.96 1bqz h ILE 20 Cb 1.10 2.32 0.00 0.00 -3.07 0.00 0.00 36.82 37.17 1bqz h ILE 20 CO 0.01 0.36 0.00 -2.11 -0.69 0.00 0.00 178.15 175.72 1bqz n ARG 21 N -4.80 0.22 -0.09 2.37 -4.01 0.14 -2.59 116.66 107.90 1bqz n ARG 21 Ca -0.09 0.33 -0.11 0.00 -1.04 0.00 0.00 57.85 56.94 1bqz n ARG 21 Cb 0.32 -1.84 -0.05 0.00 -3.04 0.00 0.00 32.46 27.85 1bqz n ARG 21 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 1bqz n LYS 22 N -2.23 0.50 0.26 2.89 3.00 -0.73 -3.45 118.16 118.39 1bqz n LYS 22 Ca 0.04 0.52 0.17 0.00 -0.00 0.00 0.00 58.31 59.03 1bqz n LYS 22 Cb 0.31 -1.69 0.72 0.00 0.00 0.00 0.00 35.03 34.37 1bqz n LYS 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1bqz h ALA 23 N -0.84 1.00 0.02 3.14 0.00 0.03 0.43 119.26 123.04 1bqz h ALA 23 Ca -0.14 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.55 1bqz h ALA 23 Cb 0.84 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1bqz h ALA 23 CO -0.09 0.00 -1.18 -0.92 0.00 0.00 0.00 179.25 177.06 1bqz h TYR 24 N 0.00 0.07 0.00 0.00 3.20 -1.67 -3.27 116.97 115.30 1bqz h TYR 24 Ca 0.00 -0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.82 1bqz h TYR 24 Cb 0.41 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.68 1bqz h TYR 24 CO 0.00 1.46 -0.01 -0.22 -1.64 0.00 0.00 178.16 177.75 1bqz h LYS 25 N -0.87 0.00 0.10 1.82 3.11 -1.57 0.41 116.57 119.57 1bqz h LYS 25 Ca -0.31 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.52 1bqz h LYS 25 Cb 1.36 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.59 1bqz h LYS 25 CO -0.15 0.01 -0.05 0.00 -2.81 0.00 0.00 179.45 176.46 1bqz h ARG 26 N 0.00 -0.13 0.00 1.90 2.47 -0.26 0.40 114.38 118.77 1bqz h ARG 26 Ca -0.00 0.01 -0.16 0.00 -1.26 0.00 0.00 59.98 58.57 1bqz h ARG 26 Cb 0.51 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 28.83 1bqz h ARG 26 CO 0.00 0.34 -0.77 1.37 0.56 0.00 0.00 179.97 181.47 1bqz h LEU 27 N -0.66 0.00 -0.11 3.04 8.10 -1.59 -2.99 115.31 121.10 1bqz h LEU 27 Ca -0.01 0.00 -0.19 0.00 0.11 0.00 0.00 57.88 57.79 1bqz h LEU 27 Cb 0.52 0.00 0.01 0.00 -0.44 0.00 0.00 40.66 40.75 1bqz h LEU 27 CO 0.02 0.77 -0.66 0.00 -4.11 0.00 0.00 178.44 174.46 1bqz h ALA 28 N 1.23 0.23 0.00 0.17 0.00 -0.19 0.62 119.26 121.31 1bqz h ALA 28 Ca -0.01 -0.56 -0.03 0.00 0.00 0.00 0.00 54.91 54.31 1bqz h ALA 28 Cb 1.54 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 1bqz h ALA 28 CO 0.10 0.52 -0.13 0.00 0.00 0.00 0.00 179.25 179.75 1bqz h MET 29 N 0.30 0.00 0.00 0.00 -0.00 -0.23 1.30 114.93 116.29 1bqz h MET 29 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.65 1bqz h MET 29 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.91 1bqz h MET 29 CO 0.14 0.13 -0.78 0.87 -0.00 0.00 0.00 176.91 177.26 1bqz h LYS 30 N 0.00 0.00 -0.32 -0.10 1.57 -1.32 -3.30 116.57 113.10 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 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1bqz h LYS 30 CO 0.02 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.56 1bqz n TYR 31 N -2.77 0.42 0.00 -1.35 4.01 0.21 -4.76 117.16 112.93 1bqz n TYR 31 Ca 0.01 -0.33 0.00 0.00 -0.16 0.00 0.00 57.90 57.42 1bqz n TYR 31 Cb 0.54 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.56 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 0.87 -0.03 -0.38 -0.72 1.44 0.42 -3.78 115.22 113.04 1bqz n HIS 32 Ca 0.13 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.79 1bqz n HIS 32 Cb 0.45 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.50 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 0.81 -0.10 -1.40 -0.04 -1.26 -3.28 135.00 129.73 1bqz n PRO 33 Ca 0.00 -0.45 -0.16 0.00 -0.04 0.00 0.00 63.50 62.85 1bqz n PRO 33 Cb 0.00 -1.75 -0.09 0.00 -0.04 0.00 0.00 33.50 31.62 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 3.00 2.27 0.00 3.54 2.03 -1.26 -4.86 116.55 121.27 1bqz n ASP 34 Ca 0.17 -0.04 0.00 0.00 0.52 0.00 0.00 54.79 55.45 1bqz n ASP 34 Cb 0.31 -0.37 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 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 -3.25 1.54 -0.06 -0.67 -4.01 -1.21 -4.82 116.66 104.18 1bqz n ARG 35 Ca -0.37 0.00 0.25 0.00 -1.04 0.00 0.00 57.85 56.69 1bqz n ARG 35 Cb 0.86 -0.47 0.65 0.00 -3.04 0.00 0.00 32.46 30.46 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 0.37 2.89 4.21 -1.64 1.82 115.58 123.23 1bqz h ASN 36 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 1bqz h ASN 36 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 1bqz h ASN 36 CO 0.00 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.14 1bqz n GLN 37 N -3.60 0.19 -0.89 0.81 1.13 -1.26 -2.56 117.38 111.20 1bqz n GLN 37 Ca 0.15 0.15 0.03 0.00 -1.94 0.00 0.00 57.00 55.39 1bqz n GLN 37 Cb 1.01 -1.50 0.04 0.00 0.11 0.00 0.00 30.24 29.90 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 0.14 1.62 2.75 1.08 0.00 0.62 -5.03 105.19 106.36 1bqz n GLY 38 Ca 0.07 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.83 1.94 0.00 1.61 1.11 -0.96 -5.09 116.67 113.45 1bqz s ASP 39 Ca 0.21 -0.29 0.00 0.00 0.18 0.00 0.00 52.55 52.65 1bqz s ASP 39 Cb 0.23 -0.46 0.00 0.00 1.07 0.00 0.00 42.92 43.76 1bqz s ASP 39 CO -0.08 -0.23 0.00 1.17 1.18 0.00 0.00 175.17 177.21 1bqz n LYS 40 N 5.13 0.78 0.00 8.23 3.00 -1.26 -4.16 118.16 129.88 1bqz n LYS 40 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 1bqz n LYS 40 Cb 0.49 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.52 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 0.00 0.00 0.17 1.64 0.28 -1.26 0.29 120.64 121.76 1bqz n GLU 41 Ca 0.00 0.00 0.15 0.00 -0.16 0.00 0.00 57.16 57.15 1bqz n GLU 41 Cb 0.00 0.00 0.54 0.00 1.43 0.00 0.00 31.44 33.41 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 1.98 -0.48 -1.84 0.00 -2.02 -0.10 119.26 116.80 1bqz h ALA 42 Ca 0.00 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.00 1bqz h ALA 42 Cb 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 1bqz h ALA 42 CO 0.00 -0.83 -0.14 1.49 0.00 0.00 0.00 179.25 179.77 1bqz h GLU 43 N 0.00 -0.03 -0.15 0.00 4.57 0.42 -2.42 114.58 116.96 1bqz h GLU 43 Ca 0.14 0.00 0.05 0.00 -1.18 0.00 0.00 59.36 58.37 1bqz h GLU 43 Cb 1.49 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 30.02 1bqz h GLU 43 CO -0.00 -0.02 -0.25 0.00 -1.18 0.00 0.00 179.01 177.56 1bqz h ALA 44 N 1.42 -0.22 -0.88 2.92 0.00 -1.24 0.26 119.26 121.52 1bqz h ALA 44 Ca 0.23 0.04 0.26 0.00 0.00 0.00 0.00 54.91 55.44 1bqz h ALA 44 Cb 0.38 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.62 1bqz h ALA 44 CO -0.51 -0.71 0.92 -0.22 0.00 0.00 0.00 179.25 178.74 1bqz h LYS 45 N -0.30 0.00 0.02 0.00 3.64 -1.59 2.26 116.57 120.59 1bqz h LYS 45 Ca 0.11 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1bqz h LYS 45 Cb 0.47 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1bqz h LYS 45 CO -0.33 0.00 -0.01 0.74 -2.27 0.00 0.00 179.45 177.58 1bqz h PHE 46 N 0.00 -0.02 -0.00 1.91 0.04 -0.47 -3.04 116.94 115.36 1bqz h PHE 46 Ca 0.42 -0.00 0.00 0.00 2.80 0.00 0.00 57.97 61.19 1bqz h PHE 46 Cb 2.25 0.01 0.00 0.00 2.20 0.00 0.00 35.95 40.41 1bqz h PHE 46 CO 0.00 0.65 -0.36 0.36 -0.60 0.00 0.00 178.31 178.36 1bqz n LYS 47 N -4.77 0.02 0.02 1.51 0.00 0.81 -3.34 118.16 112.40 1bqz n LYS 47 Ca -0.09 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.31 58.18 1bqz n LYS 47 Cb 0.33 -1.50 0.20 0.00 -0.00 0.00 0.00 35.03 34.07 1bqz n LYS 47 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.40 178.33 1bqz h GLU 48 N 0.02 0.48 -0.03 -1.58 4.39 0.36 -2.54 114.58 115.67 1bqz h GLU 48 Ca 0.00 -0.18 0.01 0.00 0.34 0.00 0.00 59.36 59.53 1bqz h GLU 48 Cb 0.50 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 1bqz h GLU 48 CO 0.00 0.69 -0.05 0.82 -1.16 0.00 0.00 179.01 179.31 1bqz h ILE 49 N 0.42 0.86 -0.80 3.13 2.04 -1.53 -1.83 117.51 119.79 1bqz h ILE 49 Ca 0.06 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.09 1bqz h ILE 49 Cb 0.67 0.86 -0.11 0.00 -0.74 0.00 0.00 36.82 37.49 1bqz h ILE 49 CO 0.05 0.00 0.32 0.50 0.00 0.00 0.00 178.15 179.02 1bqz h LYS 50 N -0.08 0.40 -1.00 2.37 1.63 -1.60 0.32 116.57 118.62 1bqz h LYS 50 Ca 0.03 -0.02 0.22 0.00 -0.85 0.00 0.00 60.65 60.03 1bqz h LYS 50 Cb 0.12 -0.09 -0.10 0.00 -0.60 0.00 0.00 32.23 31.56 1bqz h LYS 50 CO -0.07 0.27 0.62 1.49 -3.45 0.00 0.00 179.45 178.31 1bqz h GLU 51 N 0.42 0.56 -0.70 1.90 4.57 -1.13 0.32 114.58 120.50 1bqz h GLU 51 Ca 0.46 -0.03 0.20 0.00 -1.18 0.00 0.00 59.36 58.81 1bqz h GLU 51 Cb 0.77 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.21 1bqz h GLU 51 CO -0.46 0.37 0.97 0.00 -1.18 0.00 0.00 179.01 178.71 1bqz h ALA 52 N 1.64 2.56 0.16 2.92 0.00 -0.26 0.29 119.26 126.57 1bqz h ALA 52 Ca 0.57 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.45 1bqz h ALA 52 Cb 1.16 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1bqz h ALA 52 CO -0.33 -1.33 -0.08 1.88 0.00 0.00 0.00 179.25 179.39 1bqz h TYR 53 N 0.00 -0.20 -1.24 0.00 -1.99 -0.49 0.20 116.97 113.25 1bqz h TYR 53 Ca 0.33 -0.00 0.36 0.00 2.00 0.00 0.00 58.73 61.42 1bqz h TYR 53 Cb 2.26 0.06 -0.05 0.00 2.00 0.00 0.00 36.73 41.01 1bqz h TYR 53 CO 0.00 -0.06 1.06 0.93 -0.00 0.00 0.00 178.16 180.09 1bqz h GLU 54 N -0.29 0.00 0.00 4.88 5.08 -0.60 2.46 114.58 126.12 1bqz h GLU 54 Ca -0.02 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.26 1bqz h GLU 54 Cb 0.23 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1bqz h GLU 54 CO 0.04 0.00 -0.86 0.28 -1.00 0.00 0.00 179.01 177.47 1bqz n VAL 55 N -3.76 1.46 0.15 3.13 0.31 -0.58 -4.27 118.33 114.76 1bqz n VAL 55 Ca 0.27 0.12 0.06 0.00 -0.01 0.00 0.00 64.34 64.78 1bqz n VAL 55 Cb 1.45 -2.28 0.06 0.00 -0.91 0.00 0.00 33.84 32.16 1bqz n VAL 55 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1bqz h LEU 56 N -1.00 0.00 -2.37 7.52 7.12 0.92 -2.01 115.31 125.49 1bqz h LEU 56 Ca -0.12 0.00 -0.09 0.00 0.13 0.00 0.00 57.88 57.81 1bqz h LEU 56 Cb 0.81 0.00 -0.05 0.00 -0.53 0.00 0.00 40.66 40.89 1bqz h LEU 56 CO -0.07 0.32 0.11 0.35 -0.13 0.00 0.00 178.44 179.02 1bqz n THR 57 N -3.12 1.46 -3.65 1.05 -2.24 0.81 -4.72 114.28 103.87 1bqz n THR 57 Ca 0.02 -0.67 -0.18 0.00 -2.27 0.00 0.00 64.05 60.95 1bqz n THR 57 Cb 0.67 -0.56 -0.16 0.00 -2.10 0.00 0.00 70.33 68.18 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 -0.17 0.95 0.26 3.42 1.01 -1.21 -4.91 116.67 116.00 1bqz s ASP 58 Ca 0.23 0.20 -0.02 0.00 0.71 0.00 0.00 52.55 53.67 1bqz s ASP 58 Cb 0.18 0.19 0.53 0.00 1.01 0.00 0.00 42.92 44.83 1bqz s ASP 58 CO 0.06 -0.26 1.72 0.77 0.21 0.00 0.00 175.17 177.67 1bqz h SER 59 N 8.38 0.28 -0.33 0.27 4.64 -1.85 0.41 113.55 125.35 1bqz h SER 59 Ca -0.13 0.12 0.03 0.00 -0.47 0.00 0.00 61.79 61.34 1bqz h SER 59 Cb 1.12 0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.30 1bqz h SER 59 CO 0.16 0.07 0.22 0.06 -0.87 0.00 0.00 176.83 176.47 1bqz h GLN 60 N 0.43 0.31 0.02 4.77 -0.00 -1.96 -2.07 115.11 116.61 1bqz h GLN 60 Ca 0.45 -0.02 -0.00 0.00 -0.00 0.00 0.00 58.65 59.08 1bqz h GLN 60 Cb 0.74 -0.07 0.00 0.00 -0.00 0.00 0.00 27.48 28.15 1bqz h GLN 60 CO -0.45 0.20 -0.01 0.87 -0.00 0.00 0.00 178.83 179.45 1bqz h LYS 61 N 0.32 -0.03 -1.22 0.06 6.56 -1.11 -3.12 116.57 118.04 1bqz h LYS 61 Ca 0.14 0.00 0.35 0.00 -1.06 0.00 0.00 60.65 60.08 1bqz h LYS 61 Cb 0.15 0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 31.77 1bqz h LYS 61 CO -0.03 -0.02 0.99 0.07 -2.06 0.00 0.00 179.45 178.40 1bqz h ARG 62 N -0.35 0.00 0.00 3.15 0.11 -0.68 2.46 114.38 119.07 1bqz h ARG 62 Ca -0.00 0.00 -0.11 0.00 0.10 0.00 0.00 59.98 59.97 1bqz h ARG 62 Cb 0.02 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.09 1bqz h ARG 62 CO 0.00 0.00 -0.50 0.00 0.10 0.00 0.00 179.97 179.57 1bqz h ALA 63 N 1.16 0.81 0.05 0.08 0.00 -1.47 -1.09 119.26 118.80 1bqz h ALA 63 Ca 0.58 -0.46 -0.27 0.00 0.00 0.00 0.00 54.91 54.76 1bqz h ALA 63 Cb 2.55 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 20.24 1bqz h ALA 63 CO -0.01 0.63 -1.48 0.00 0.00 0.00 0.00 179.25 178.40 1bqz h ALA 64 N 1.50 0.30 0.00 0.00 0.00 0.40 -3.37 119.26 118.09 1bqz h ALA 64 Ca -0.01 -1.25 -0.03 0.00 0.00 0.00 0.00 54.91 53.63 1bqz h ALA 64 Cb 1.17 0.70 -0.00 0.00 0.00 0.00 0.00 17.79 19.66 1bqz h ALA 64 CO 0.07 0.88 -0.12 1.88 0.00 0.00 0.00 179.25 181.96 1bqz h TYR 65 N -0.63 0.00 -0.65 0.00 -1.99 -0.20 -1.43 116.97 112.07 1bqz h TYR 65 Ca -0.36 0.00 0.17 0.00 2.00 0.00 0.00 58.73 60.53 1bqz h TYR 65 Cb 1.55 0.00 -0.03 0.00 2.00 0.00 0.00 36.73 40.25 1bqz h TYR 65 CO 0.10 0.12 0.46 0.38 -0.00 0.00 0.00 178.16 179.22 1bqz h ASP 66 N 0.00 0.12 0.00 3.88 2.03 -1.35 -1.03 116.42 120.07 1bqz h ASP 66 Ca -0.00 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.31 1bqz h ASP 66 Cb 0.59 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.08 1bqz h ASP 66 CO 0.02 0.06 -0.03 0.00 -1.03 0.00 0.00 179.24 178.25 1bqz n GLN 67 N -4.40 1.56 -1.90 4.15 6.02 -1.07 -4.95 117.38 116.78 1bqz n GLN 67 Ca 0.12 -2.19 -0.13 0.00 -0.01 0.00 0.00 57.00 54.79 1bqz n GLN 67 Cb 0.64 -1.30 -0.03 0.00 1.02 0.00 0.00 30.24 30.56 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 -1.10 -0.85 0.00 1.08 4.02 -0.39 -4.14 117.16 115.76 1bqz n TYR 68 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.00 1bqz n TYR 68 Cb 0.55 -2.75 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 -0.54 0.62 0.45 2.72 0.00 -0.58 -4.51 105.19 103.35 1bqz n GLY 69 Ca -0.15 -2.12 0.03 0.00 0.00 0.00 0.00 46.02 43.78 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 0.20 0.30 0.06 1.61 1.44 -1.26 -3.64 115.22 113.93 1bqz n HIS 70 Ca 0.00 -0.13 -0.04 0.00 -2.01 0.00 0.00 57.72 55.54 1bqz n HIS 70 Cb 0.00 -0.05 -0.08 0.00 0.12 0.00 0.00 29.99 29.98 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 3.12 0.55 0.00 1.59 0.00 -1.82 0.60 119.26 123.30 1bqz h ALA 71 Ca 0.00 -0.89 0.00 0.00 0.00 0.00 0.00 54.91 54.02 1bqz h ALA 71 Cb 0.39 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1bqz h ALA 71 CO 0.03 1.11 0.00 0.00 0.00 0.00 0.00 179.25 180.39 1bqz n ALA 72 N -2.36 1.27 0.00 0.00 0.00 -1.24 -4.02 120.51 114.16 1bqz n ALA 72 Ca -0.04 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1bqz n ALA 72 Cb 0.90 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 19.14 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 -1.83 0.00 -1.76 0.00 3.72 -1.22 -5.15 117.46 111.22 1bqz n PHE 73 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1bqz n PHE 73 Cb 0.09 0.34 0.00 0.00 -0.94 0.00 0.00 39.48 38.97 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 -2.29 -4.93 0.00 -1.08 1.02 0.21 -4.31 120.64 109.25 1bqz n GLU 74 Ca 0.00 3.56 0.00 0.00 -0.02 0.00 0.00 57.16 60.70 1bqz n GLU 74 Cb 0.04 -3.93 0.00 0.00 -0.02 0.00 0.00 31.44 27.53 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 0.41 0.00 0.00 3.49 6.02 -1.26 -3.99 117.38 122.05 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 0.00 0.02 0.00 1.08 0.00 -1.26 -5.22 105.19 99.81 1bqz n GLY 76 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1bqz n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93