#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qoz n PHE 2 N 0.00 -3.48 -1.87 1.12 3.72 -1.26 -2.40 117.46 113.29 2qoz n PHE 2 Ca 0.00 2.05 -0.31 0.00 -0.05 0.00 0.00 57.45 59.13 2qoz n PHE 2 Cb 0.00 -3.35 -0.04 0.00 -0.94 0.00 0.00 39.48 35.15 2qoz n PHE 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2qoz s THR 3 N -0.47 3.25 -0.68 4.37 -4.23 -1.26 -3.68 115.64 112.93 2qoz s THR 3 Ca -0.12 -0.02 -0.14 0.00 -1.18 0.00 0.00 61.69 60.22 2qoz s THR 3 Cb 0.01 -3.63 0.18 0.00 1.34 0.00 0.00 72.50 70.40 2qoz s THR 3 CO 0.34 -0.60 0.63 -0.63 -0.54 0.00 0.00 174.62 173.81 2qoz s ILE 4 N 10.85 5.34 0.63 2.99 1.01 -0.42 -5.02 121.20 136.57 2qoz s ILE 4 Ca 0.78 -2.04 -0.15 0.00 0.00 0.00 0.00 60.65 59.24 2qoz s ILE 4 Cb -0.12 -4.36 -0.02 0.00 0.01 0.00 0.00 42.46 37.97 2qoz s ILE 4 CO 0.14 -0.95 1.08 0.54 0.00 0.00 0.00 174.94 175.75 2qoz s ASN 5 N 2.77 5.49 0.04 3.58 4.22 -1.26 0.22 114.94 129.99 2qoz s ASN 5 Ca 0.11 1.87 -0.28 0.00 -2.14 0.00 0.00 52.86 52.42 2qoz s ASN 5 Cb -0.20 -2.54 0.10 0.00 1.28 0.00 0.00 41.25 39.90 2qoz s ASN 5 CO -0.03 -1.37 1.21 0.00 -2.04 0.00 0.00 177.10 174.86 2qoz s ALA 6 N -2.47 -2.12 -0.26 3.54 0.00 -1.10 -4.59 121.76 114.75 2qoz s ALA 6 Ca 0.64 0.25 -0.27 0.00 0.00 0.00 0.00 51.96 52.58 2qoz s ALA 6 Cb -0.17 0.62 0.16 0.00 0.00 0.00 0.00 23.12 23.73 2qoz s ALA 6 CO 0.40 -1.08 1.21 -1.83 0.00 0.00 0.00 175.76 174.46 2qoz s GLU 7 N -2.36 0.30 0.98 0.00 -1.05 -0.82 -4.43 118.70 111.33 2qoz s GLU 7 Ca 0.20 0.24 -0.16 0.00 -0.15 0.00 0.00 54.97 55.10 2qoz s GLU 7 Cb 0.01 0.15 -0.07 0.00 -0.44 0.00 0.00 34.13 33.77 2qoz s GLU 7 CO -0.01 -0.06 -0.34 0.28 0.95 0.00 0.00 175.26 176.08 2qoz n VAL 8 N 1.44 0.00 -4.35 1.83 0.31 -1.26 -0.46 118.33 115.84 2qoz n VAL 8 Ca -0.09 -0.36 -0.34 0.00 -0.01 0.00 0.00 64.34 63.54 2qoz n VAL 8 Cb 0.57 -0.25 -0.09 0.00 -0.91 0.00 0.00 33.84 33.16 2qoz n VAL 8 CO 0.00 0.00 0.00 -0.60 -1.32 0.00 0.00 176.83 174.91 2qoz s ARG 9 N -2.66 2.88 0.03 5.55 3.52 -0.98 -4.48 118.95 122.81 2qoz s ARG 9 Ca 0.47 -0.51 -0.28 0.00 -0.13 0.00 0.00 55.73 55.28 2qoz s ARG 9 Cb -0.18 -2.72 -0.16 0.00 -1.56 0.00 0.00 34.95 30.33 2qoz s ARG 9 CO 0.76 0.66 1.24 -0.22 -0.81 0.00 0.00 175.30 176.94 2qoz h LYS 10 N 4.78 -0.98 0.00 5.12 3.64 -1.94 -3.47 116.57 123.72 2qoz h LYS 10 Ca -0.50 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 2qoz h LYS 10 Cb 1.18 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.23 2qoz h LYS 10 CO 0.56 -0.65 0.00 0.39 -2.27 0.00 0.00 179.45 177.47 2qoz n GLU 11 N -5.19 1.48 -0.36 1.90 1.02 -1.26 -5.17 120.64 113.06 2qoz n GLU 11 Ca -0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.01 2qoz n GLU 11 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.82 2qoz n GLU 11 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qoz n GLN 12 N 0.00 0.00 0.00 3.49 -0.00 -1.26 -4.96 117.38 114.65 2qoz n GLN 12 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.00 2qoz n GLN 12 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.24 2qoz n GLN 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2qoz n GLY 13 N 0.00 1.92 0.23 2.61 0.00 -1.26 -3.58 105.19 105.10 2qoz n GLY 13 Ca 0.00 -0.46 -0.23 0.00 0.00 0.00 0.00 46.02 45.33 2qoz n GLY 13 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qoz n LYS 14 N 13.02 0.51 0.00 1.61 4.81 -1.26 -4.30 118.16 132.55 2qoz n LYS 14 Ca 0.00 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.66 2qoz n LYS 14 Cb 0.00 -1.37 0.00 0.00 0.02 0.00 0.00 35.03 33.68 2qoz n LYS 14 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qoz n GLY 15 N 1.49 -3.26 0.29 3.14 0.00 -1.26 -1.41 105.19 104.18 2qoz n GLY 15 Ca -0.42 0.50 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 2qoz n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qoz h ALA 16 N -1.72 -0.26 -0.66 4.61 0.00 -1.87 -2.47 119.26 116.89 2qoz h ALA 16 Ca 0.00 0.04 0.08 0.00 0.00 0.00 0.00 54.91 55.02 2qoz h ALA 16 Cb 0.00 0.52 -0.11 0.00 0.00 0.00 0.00 17.79 18.20 2qoz h ALA 16 CO 0.00 -0.73 -0.52 0.77 0.00 0.00 0.00 179.25 178.77 2qoz h SER 17 N -0.33 -1.80 -0.41 0.00 0.02 -1.68 0.36 113.55 109.70 2qoz h SER 17 Ca 0.10 0.27 0.07 0.00 -0.84 0.00 0.00 61.79 61.39 2qoz h SER 17 Cb 0.49 0.79 -0.02 0.00 0.14 0.00 0.00 62.40 63.80 2qoz h SER 17 CO -0.33 -0.33 0.28 0.03 -1.14 0.00 0.00 176.83 175.34 2qoz h ARG 18 N -0.21 0.24 -0.30 3.45 3.08 -1.05 -1.69 114.38 117.90 2qoz h ARG 18 Ca 0.15 -0.01 -0.14 0.00 0.07 0.00 0.00 59.98 60.04 2qoz h ARG 18 Cb 0.54 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.53 2qoz h ARG 18 CO -0.74 0.16 -0.37 0.00 -1.07 0.00 0.00 179.97 177.95 2qoz h ARG 19 N 0.25 0.78 -0.49 0.04 3.08 0.05 -3.22 114.38 114.87 2qoz h ARG 19 Ca 0.18 -0.44 0.06 0.00 0.07 0.00 0.00 59.98 59.86 2qoz h ARG 19 Cb 0.40 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.43 2qoz h ARG 19 CO -0.04 1.07 0.19 -0.07 -1.07 0.00 0.00 179.97 180.05 2qoz h LEU 20 N 0.54 0.22 -2.49 3.04 3.38 0.13 -0.58 115.31 119.55 2qoz h LEU 20 Ca 0.04 0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2qoz h LEU 20 Cb 0.96 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 2qoz h LEU 20 CO 0.09 0.16 -0.01 0.03 0.09 0.00 0.00 178.44 178.80 2qoz h ARG 21 N 0.38 0.00 0.00 1.13 3.08 -1.49 0.16 114.38 117.64 2qoz h ARG 21 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2qoz h ARG 21 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2qoz h ARG 21 CO -0.22 0.01 0.00 0.00 -1.07 0.00 0.00 179.97 178.69 2qoz n ALA 22 N -2.30 1.61 -1.66 0.04 0.00 -0.23 -1.95 120.51 116.02 2qoz n ALA 22 Ca -0.03 0.09 0.06 0.00 0.00 0.00 0.00 53.44 53.56 2qoz n ALA 22 Cb 0.09 -1.38 0.19 0.00 0.00 0.00 0.00 19.45 18.35 2qoz n ALA 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qoz n ALA 23 N -1.76 3.48 0.00 0.00 0.00 0.55 -4.99 120.51 117.78 2qoz n ALA 23 Ca 0.02 -3.18 0.00 0.00 0.00 0.00 0.00 53.44 50.27 2qoz n ALA 23 Cb 0.21 -0.39 0.00 0.00 0.00 0.00 0.00 19.45 19.28 2qoz n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qoz n ASN 24 N -0.98 0.00 -4.52 0.00 4.13 -0.83 -4.85 115.26 108.22 2qoz n ASN 24 Ca 0.18 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 56.20 2qoz n ASN 24 Cb 0.73 0.00 -0.17 0.00 -1.54 0.00 0.00 39.78 38.80 2qoz n ASN 24 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2qoz n LYS 25 N 0.00 0.20 -3.52 3.52 5.02 -1.19 -3.31 118.16 118.88 2qoz n LYS 25 Ca 0.00 -0.22 -0.32 0.00 -2.02 0.00 0.00 58.31 55.76 2qoz n LYS 25 Cb 0.00 -1.89 -0.05 0.00 -0.02 0.00 0.00 35.03 33.06 2qoz n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2qoz s PHE 26 N 5.69 3.45 1.03 2.13 -0.12 -0.42 -3.25 117.98 126.49 2qoz s PHE 26 Ca 1.21 0.75 -0.12 0.00 -0.05 0.00 0.00 56.93 58.71 2qoz s PHE 26 Cb -0.68 -2.16 0.21 0.00 -0.63 0.00 0.00 43.02 39.76 2qoz s PHE 26 CO 0.42 0.35 1.08 -1.25 -0.05 0.00 0.00 175.22 175.76 2qoz s PRO 27 N -2.70 0.16 0.00 1.99 0.04 -1.24 -1.82 135.00 131.43 2qoz s PRO 27 Ca 0.44 0.62 0.00 0.00 0.04 0.00 0.00 61.00 62.10 2qoz s PRO 27 Cb -0.12 -1.70 0.00 0.00 0.04 0.00 0.00 34.50 32.73 2qoz s PRO 27 CO 0.22 -2.94 0.00 0.00 0.04 0.00 0.00 177.00 174.32 2qoz n ALA 28 N -4.34 0.00 -2.28 8.56 0.00 -1.12 -3.98 120.51 117.36 2qoz n ALA 28 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.33 2qoz n ALA 28 Cb 0.56 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.91 2qoz n ALA 28 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2qoz s ILE 29 N -2.00 1.18 -0.34 0.00 -5.25 -1.20 -3.06 121.20 110.54 2qoz s ILE 29 Ca 0.00 -2.07 -0.01 0.00 -0.99 0.00 0.00 60.65 57.58 2qoz s ILE 29 Cb 0.00 -2.01 0.12 0.00 2.95 0.00 0.00 42.46 43.52 2qoz s ILE 29 CO 0.00 -0.61 0.18 -0.63 -1.79 0.00 0.00 174.94 172.09 2qoz s ILE 30 N -3.32 0.25 0.30 8.37 1.01 -1.09 -1.24 121.20 125.48 2qoz s ILE 30 Ca 0.21 -1.46 0.10 0.00 0.00 0.00 0.00 60.65 59.50 2qoz s ILE 30 Cb 0.03 -1.20 -0.05 0.00 0.01 0.00 0.00 42.46 41.26 2qoz s ILE 30 CO 0.03 -0.87 -0.02 -0.72 0.00 0.00 0.00 174.94 173.36 2qoz s TYR 31 N 1.38 2.56 0.00 3.97 -0.85 -0.65 -0.50 117.35 123.27 2qoz s TYR 31 Ca 0.14 -0.34 0.00 0.00 -0.52 0.00 0.00 57.07 56.36 2qoz s TYR 31 Cb -0.20 -1.30 0.00 0.00 0.38 0.00 0.00 41.96 40.84 2qoz s TYR 31 CO -0.13 0.57 0.00 0.41 -1.52 0.00 0.00 175.55 174.87 2qoz n GLY 32 N -0.88 4.41 3.90 5.49 0.00 -1.26 -2.15 105.19 114.70 2qoz n GLY 32 Ca -0.05 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.74 2qoz n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qoz n GLY 33 N -1.41 1.26 0.01 -0.02 0.00 -1.26 -4.05 105.19 99.72 2qoz n GLY 33 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2qoz n GLY 33 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qoz n LYS 34 N 6.69 1.51 -2.74 1.61 2.85 -1.26 -5.02 118.16 121.80 2qoz n LYS 34 Ca 0.00 -0.03 -0.40 0.00 -1.05 0.00 0.00 58.31 56.83 2qoz n LYS 34 Cb 0.00 -1.12 -0.06 0.00 -0.65 0.00 0.00 35.03 33.20 2qoz n LYS 34 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 2qoz s GLU 35 N -2.24 4.85 0.72 -1.58 2.02 -1.26 -5.04 118.70 116.16 2qoz s GLU 35 Ca -0.02 1.50 -0.14 0.00 0.02 0.00 0.00 54.97 56.33 2qoz s GLU 35 Cb 0.02 -3.28 0.03 0.00 0.10 0.00 0.00 34.13 31.00 2qoz s GLU 35 CO 0.20 0.50 1.13 0.00 0.02 0.00 0.00 175.26 177.11 2qoz s ALA 36 N -1.13 2.28 0.37 5.21 0.00 -1.26 -4.12 121.76 123.10 2qoz s ALA 36 Ca 0.41 0.55 -0.25 0.00 0.00 0.00 0.00 51.96 52.68 2qoz s ALA 36 Cb -0.26 -3.35 -0.13 0.00 0.00 0.00 0.00 23.12 19.39 2qoz s ALA 36 CO 0.32 -1.62 0.84 -2.30 0.00 0.00 0.00 175.76 173.01 2qoz n PRO 37 N -2.86 1.03 -3.25 0.00 -0.02 -1.26 -4.80 135.00 123.85 2qoz n PRO 37 Ca 0.11 0.37 -0.44 0.00 -2.02 0.00 0.00 63.50 61.51 2qoz n PRO 37 Cb 0.52 -1.76 -0.06 0.00 -0.02 0.00 0.00 33.50 32.18 2qoz n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2qoz s LEU 38 N 0.65 5.34 -0.95 2.45 2.96 0.35 -4.81 118.68 124.67 2qoz s LEU 38 Ca 0.62 -1.19 -0.23 0.00 -0.22 0.00 0.00 54.13 53.11 2qoz s LEU 38 Cb -0.63 -2.32 0.06 0.00 0.50 0.00 0.00 46.19 43.80 2qoz s LEU 38 CO 0.58 -0.83 1.36 0.00 -1.32 0.00 0.00 176.35 176.14 2qoz s ALA 39 N 2.20 2.84 0.04 5.97 0.00 -1.26 -2.66 121.76 128.89 2qoz s ALA 39 Ca 0.10 -2.20 0.00 0.00 0.00 0.00 0.00 51.96 49.86 2qoz s ALA 39 Cb -0.22 -4.39 -0.00 0.00 0.00 0.00 0.00 23.12 18.51 2qoz s ALA 39 CO 0.09 -3.44 0.01 0.44 0.00 0.00 0.00 175.76 172.86 2qoz n ILE 40 N 6.56 0.00 -4.08 0.00 -0.00 -1.17 -2.32 119.36 118.34 2qoz n ILE 40 Ca 0.26 -0.24 -0.09 0.00 -0.00 0.00 0.00 62.75 62.69 2qoz n ILE 40 Cb 0.50 0.08 -0.10 0.00 -0.00 0.00 0.00 39.64 40.12 2qoz n ILE 40 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.55 174.72 2qoz s GLU 41 N -2.16 0.60 0.08 6.28 -1.05 0.39 -2.78 118.70 120.06 2qoz s GLU 41 Ca 0.02 -1.09 0.03 0.00 -0.15 0.00 0.00 54.97 53.77 2qoz s GLU 41 Cb 0.00 0.06 -0.03 0.00 -0.44 0.00 0.00 34.13 33.72 2qoz s GLU 41 CO 0.01 -0.07 -0.09 -0.51 0.95 0.00 0.00 175.26 175.56 2qoz s LEU 42 N -2.57 2.37 0.25 1.83 1.43 -0.76 -1.95 118.68 119.28 2qoz s LEU 42 Ca 0.02 -0.75 -0.30 0.00 -1.03 0.00 0.00 54.13 52.08 2qoz s LEU 42 Cb 0.03 -0.24 -0.09 0.00 0.03 0.00 0.00 46.19 45.92 2qoz s LEU 42 CO -0.06 -0.27 1.29 -0.62 0.23 0.00 0.00 176.35 176.92 2qoz s ASP 43 N -2.23 6.90 -0.00 2.29 -1.08 -1.26 -1.30 116.67 119.98 2qoz s ASP 43 Ca 0.01 2.48 -0.06 0.00 -0.52 0.00 0.00 52.55 54.46 2qoz s ASP 43 Cb -0.04 -2.62 -0.03 0.00 -1.46 0.00 0.00 42.92 38.76 2qoz s ASP 43 CO -0.01 -0.49 0.70 -0.74 0.52 0.00 0.00 175.17 175.15 2qoz h HIS 44 N 4.63 -0.20 -0.98 -5.34 -0.00 -1.88 -2.79 115.15 108.59 2qoz h HIS 44 Ca -0.46 -0.00 0.40 0.00 -0.00 0.00 0.00 60.37 60.30 2qoz h HIS 44 Cb 1.22 0.07 -0.16 0.00 -0.00 0.00 0.00 27.41 28.53 2qoz h HIS 44 CO 0.60 -0.13 0.55 -0.25 -0.00 0.00 0.00 177.93 178.70 2qoz n ASP 45 N -2.88 0.31 0.00 3.26 8.00 -1.26 -0.35 116.55 123.63 2qoz n ASP 45 Ca -0.03 1.50 0.00 0.00 0.71 0.00 0.00 54.79 56.98 2qoz n ASP 45 Cb 0.09 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.45 2qoz n ASP 45 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2qoz n LYS 46 N -5.02 0.00 -0.37 -1.24 4.01 -1.23 -3.46 118.16 110.85 2qoz n LYS 46 Ca 0.36 0.11 0.28 0.00 -0.51 0.00 0.00 58.31 58.55 2qoz n LYS 46 Cb 1.24 -0.85 0.55 0.00 -0.51 0.00 0.00 35.03 35.45 2qoz n LYS 46 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2qoz h VAL 47 N 0.00 0.31 -0.72 -0.18 2.07 -1.19 0.28 116.25 116.82 2qoz h VAL 47 Ca 0.00 -0.09 0.10 0.00 0.82 0.00 0.00 66.70 67.53 2qoz h VAL 47 Cb 0.00 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 29.75 2qoz h VAL 47 CO 0.00 0.05 0.47 -0.03 0.02 0.00 0.00 177.57 178.08 2qoz h MET 48 N 0.26 0.58 0.05 1.57 -1.53 -0.82 -1.35 114.93 113.70 2qoz h MET 48 Ca 0.72 -0.04 -0.25 0.00 -3.44 0.00 0.00 59.70 56.69 2qoz h MET 48 Cb 1.94 -0.13 -0.02 0.00 -0.55 0.00 0.00 31.60 32.84 2qoz h MET 48 CO -0.44 0.39 -1.25 -0.91 0.14 0.00 0.00 176.91 174.84 2qoz h ASN 49 N 0.60 0.16 -0.53 1.39 2.35 -0.47 -3.30 115.58 115.78 2qoz h ASN 49 Ca 0.33 -0.20 -0.11 0.00 -0.55 0.00 0.00 56.30 55.77 2qoz h ASN 49 Cb 0.49 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.79 2qoz h ASN 49 CO -0.11 1.16 -0.09 0.24 -1.65 0.00 0.00 177.43 176.97 2qoz h MET 50 N 0.03 1.02 0.00 0.81 2.86 -1.09 -2.02 114.93 116.53 2qoz h MET 50 Ca -0.12 -0.36 0.00 0.00 -2.06 0.00 0.00 59.70 57.16 2qoz h MET 50 Cb 1.89 -0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.48 2qoz h MET 50 CO 0.14 1.05 0.00 0.00 1.06 0.00 0.00 176.91 179.16 2qoz n GLN 51 N -4.15 0.09 0.00 1.72 -0.00 -0.58 -1.94 117.38 112.52 2qoz n GLN 51 Ca 0.02 0.21 0.12 0.00 -0.00 0.00 0.00 57.00 57.34 2qoz n GLN 51 Cb 0.39 -1.50 0.55 0.00 -0.00 0.00 0.00 30.24 29.68 2qoz n GLN 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2qoz n ALA 52 N -1.40 2.15 -3.33 2.61 0.00 -0.76 -4.59 120.51 115.18 2qoz n ALA 52 Ca 0.05 -0.10 -0.36 0.00 0.00 0.00 0.00 53.44 53.04 2qoz n ALA 52 Cb 0.14 -1.38 -0.13 0.00 0.00 0.00 0.00 19.45 18.07 2qoz n ALA 52 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2qoz s LYS 53 N -2.79 3.48 0.48 0.00 -0.14 -0.82 -4.98 119.74 114.99 2qoz s LYS 53 Ca 0.17 -0.57 0.40 0.00 -1.36 0.00 0.00 55.97 54.61 2qoz s LYS 53 Cb 0.16 -3.13 1.58 0.00 -1.68 0.00 0.00 37.83 34.76 2qoz s LYS 53 CO 0.40 -0.19 1.55 0.00 -0.76 0.00 0.00 175.35 176.35 2qoz n ALA 54 N 4.83 1.58 -0.34 5.17 0.00 -1.26 0.82 120.51 131.30 2qoz n ALA 54 Ca -0.17 0.78 0.10 0.00 0.00 0.00 0.00 53.44 54.15 2qoz n ALA 54 Cb 0.51 -1.09 0.30 0.00 0.00 0.00 0.00 19.45 19.17 2qoz n ALA 54 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2qoz h GLU 55 N 0.00 0.83 -0.99 0.00 3.07 -1.93 -0.36 114.58 115.20 2qoz h GLU 55 Ca 0.90 -0.05 0.22 0.00 -0.50 0.00 0.00 59.36 59.93 2qoz h GLU 55 Cb 3.21 -0.19 -0.09 0.00 -0.84 0.00 0.00 28.75 30.84 2qoz h GLU 55 CO -0.28 0.55 0.63 0.35 -1.40 0.00 0.00 179.01 178.86 2qoz h PHE 56 N 0.85 0.76 -0.03 4.33 3.57 0.20 0.26 116.94 126.89 2qoz h PHE 56 Ca 0.52 0.02 0.00 0.00 3.53 0.00 0.00 57.97 62.04 2qoz h PHE 56 Cb 0.69 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.20 2qoz h PHE 56 CO -0.00 0.14 0.00 0.66 -2.23 0.00 0.00 178.31 176.88 2qoz n TYR 57 N -4.64 0.01 0.00 0.41 4.02 -0.28 -4.47 117.16 112.21 2qoz n TYR 57 Ca 0.23 -0.01 0.00 0.00 -0.01 0.00 0.00 57.90 58.11 2qoz n TYR 57 Cb 0.72 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.04 2qoz n TYR 57 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2qoz n SER 58 N 1.17 0.00 -4.92 7.72 7.64 0.68 -4.89 113.62 121.02 2qoz n SER 58 Ca 0.12 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.74 2qoz n SER 58 Cb 0.52 -0.34 0.03 0.00 -1.01 0.00 0.00 64.21 63.42 2qoz n SER 58 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2qoz s GLU 59 N -0.85 2.82 0.77 1.43 -6.30 0.19 -4.98 118.70 111.79 2qoz s GLU 59 Ca 0.00 -0.11 -0.13 0.00 -2.50 0.00 0.00 54.97 52.23 2qoz s GLU 59 Cb 0.00 -2.29 0.20 0.00 0.00 0.00 0.00 34.13 32.04 2qoz s GLU 59 CO 0.00 -0.74 0.47 0.28 0.02 0.00 0.00 175.26 175.29 2qoz n VAL 60 N -2.58 0.00 -3.95 3.70 0.31 -1.26 -4.63 118.33 109.91 2qoz n VAL 60 Ca 0.05 -0.01 -0.03 0.00 -0.01 0.00 0.00 64.34 64.33 2qoz n VAL 60 Cb 0.58 -0.56 -0.01 0.00 -0.91 0.00 0.00 33.84 32.94 2qoz n VAL 60 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2qoz n LEU 61 N 0.00 0.00 -3.37 7.52 4.77 -1.04 -4.90 117.00 119.99 2qoz n LEU 61 Ca 0.07 -0.58 -0.16 0.00 -0.03 0.00 0.00 56.01 55.31 2qoz n LEU 61 Cb 0.32 0.36 -0.08 0.00 -2.33 0.00 0.00 43.42 41.68 2qoz n LEU 61 CO 0.21 -0.10 -0.15 0.42 -1.33 0.00 0.00 177.39 176.43 2qoz s THR 62 N -2.32 -0.39 0.46 -5.08 -4.23 -1.01 -3.50 115.64 99.58 2qoz s THR 62 Ca 0.07 -0.76 -0.11 0.00 -1.18 0.00 0.00 61.69 59.70 2qoz s THR 62 Cb 0.00 -0.79 -0.06 0.00 1.34 0.00 0.00 72.50 72.99 2qoz s THR 62 CO 0.05 -0.52 0.84 -0.63 -0.54 0.00 0.00 174.62 173.83 2qoz s ILE 63 N 1.82 4.73 -0.75 2.99 1.09 -1.25 -1.30 121.20 128.53 2qoz s ILE 63 Ca 0.14 0.74 0.03 0.00 -1.10 0.00 0.00 60.65 60.46 2qoz s ILE 63 Cb -0.14 -3.75 0.23 0.00 -1.06 0.00 0.00 42.46 37.73 2qoz s ILE 63 CO -0.15 -0.65 0.78 0.52 -0.10 0.00 0.00 174.94 175.34 2qoz n VAL 64 N -1.58 2.63 -3.11 2.92 0.31 0.58 -3.53 118.33 116.56 2qoz n VAL 64 Ca 0.03 -5.20 -0.28 0.00 -0.01 0.00 0.00 64.34 58.88 2qoz n VAL 64 Cb 0.54 -2.16 -0.02 0.00 -0.91 0.00 0.00 33.84 31.28 2qoz n VAL 64 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 2qoz s VAL 65 N -2.11 4.96 0.00 2.52 -7.23 -1.19 -2.72 120.40 114.64 2qoz s VAL 65 Ca 0.33 0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.66 2qoz s VAL 65 Cb 0.06 -3.77 0.00 0.00 0.56 0.00 0.00 36.38 33.23 2qoz s VAL 65 CO -0.06 -0.49 0.00 -0.67 -0.31 0.00 0.00 175.10 173.58 2qoz n ASP 66 N -1.35 0.00 0.00 4.85 4.64 -1.26 -1.67 116.55 121.76 2qoz n ASP 66 Ca -0.01 0.00 0.00 0.00 -1.38 0.00 0.00 54.79 53.40 2qoz n ASP 66 Cb 0.54 0.00 0.00 0.00 -1.04 0.00 0.00 41.12 40.62 2qoz n ASP 66 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2qoz n GLY 67 N 0.00 0.91 0.00 0.27 0.00 -1.26 -4.99 105.19 100.12 2qoz n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qoz n GLY 67 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qoz n LYS 68 N 0.00 3.37 -4.23 1.61 5.02 -0.67 -5.13 118.16 118.13 2qoz n LYS 68 Ca 0.00 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 56.02 2qoz n LYS 68 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 2qoz n LYS 68 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2qoz n GLU 69 N 0.00 0.91 0.00 1.97 0.00 -1.26 -3.14 120.64 119.12 2qoz n GLU 69 Ca 0.00 -3.10 0.00 0.00 0.00 0.00 0.00 57.16 54.06 2qoz n GLU 69 Cb 0.00 0.96 0.00 0.00 0.00 0.00 0.00 31.44 32.40 2qoz n GLU 69 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.13 177.57 2qoz n ILE 70 N -1.03 0.00 -2.93 3.84 -0.00 -1.23 -4.88 119.36 113.13 2qoz n ILE 70 Ca -0.16 0.00 -0.05 0.00 -0.00 0.00 0.00 62.75 62.54 2qoz n ILE 70 Cb 0.54 -0.02 0.01 0.00 -0.00 0.00 0.00 39.64 40.17 2qoz n ILE 70 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2qoz n LYS 71 N -1.57 -2.41 -4.34 6.28 5.02 -1.26 -4.82 118.16 115.06 2qoz n LYS 71 Ca 0.00 2.08 -0.18 0.00 -2.02 0.00 0.00 58.31 58.19 2qoz n LYS 71 Cb 0.00 -4.13 -0.10 0.00 -0.02 0.00 0.00 35.03 30.78 2qoz n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2qoz s VAL 72 N -1.67 1.55 0.88 -0.18 -7.23 -1.23 -3.74 120.40 108.77 2qoz s VAL 72 Ca 0.09 -2.15 -0.12 0.00 -1.81 0.00 0.00 61.98 57.98 2qoz s VAL 72 Cb -0.02 -2.10 0.12 0.00 0.56 0.00 0.00 36.38 34.94 2qoz s VAL 72 CO 0.61 -0.55 1.15 -0.54 -0.31 0.00 0.00 175.10 175.46 2qoz s LYS 73 N -3.70 1.42 -0.39 4.82 1.02 0.19 -2.50 119.74 120.61 2qoz s LYS 73 Ca 0.23 0.23 -0.02 0.00 0.02 0.00 0.00 55.97 56.43 2qoz s LYS 73 Cb 0.01 -1.88 0.11 0.00 -0.52 0.00 0.00 37.83 35.55 2qoz s LYS 73 CO 0.07 -1.99 0.17 0.00 -0.92 0.00 0.00 175.35 172.67 2qoz s ALA 74 N -3.38 3.09 0.00 5.17 0.00 -1.26 -1.95 121.76 123.43 2qoz s ALA 74 Ca 0.63 -2.51 0.00 0.00 0.00 0.00 0.00 51.96 50.08 2qoz s ALA 74 Cb -0.13 -2.31 0.00 0.00 0.00 0.00 0.00 23.12 20.67 2qoz s ALA 74 CO 0.52 -1.76 0.00 1.04 0.00 0.00 0.00 175.76 175.56 2qoz n GLN 75 N 4.53 0.00 -4.25 0.00 1.13 0.18 -4.84 117.38 114.13 2qoz n GLN 75 Ca -0.01 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.81 2qoz n GLN 75 Cb 0.42 -0.09 -0.07 0.00 0.11 0.00 0.00 30.24 30.61 2qoz n GLN 75 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2qoz s ASP 76 N -1.71 4.56 -0.01 1.08 -1.08 -1.24 -4.92 116.67 113.35 2qoz s ASP 76 Ca 0.00 -0.70 0.03 0.00 -0.52 0.00 0.00 52.55 51.36 2qoz s ASP 76 Cb 0.00 -0.80 -0.00 0.00 -1.46 0.00 0.00 42.92 40.66 2qoz s ASP 76 CO 0.00 -0.09 -0.09 0.54 0.52 0.00 0.00 175.17 176.05 2qoz s VAL 77 N -2.36 0.71 -0.20 1.11 0.11 -1.26 0.46 120.40 118.97 2qoz s VAL 77 Ca 0.33 -0.37 -0.02 0.00 -2.93 0.00 0.00 61.98 58.99 2qoz s VAL 77 Cb -0.05 -0.61 0.00 0.00 -1.53 0.00 0.00 36.38 34.19 2qoz s VAL 77 CO 0.21 0.21 -0.10 -1.10 -3.33 0.00 0.00 175.10 170.99 2qoz s GLN 78 N -0.10 3.25 0.31 1.54 -0.21 -0.38 -4.98 119.66 119.08 2qoz s GLN 78 Ca 0.02 -0.70 0.10 0.00 0.02 0.00 0.00 55.36 54.81 2qoz s GLN 78 Cb -0.05 -2.85 -0.06 0.00 1.00 0.00 0.00 33.01 31.06 2qoz s GLN 78 CO -0.00 -0.19 -0.11 -0.98 -2.12 0.00 0.00 175.29 171.89 2qoz s ARG 79 N 1.38 1.85 0.49 2.91 1.70 -1.26 0.43 118.95 126.45 2qoz s ARG 79 Ca 0.05 -1.80 -0.23 0.00 -0.47 0.00 0.00 55.73 53.29 2qoz s ARG 79 Cb -0.14 -1.81 -0.08 0.00 -0.57 0.00 0.00 34.95 32.36 2qoz s ARG 79 CO -0.06 0.23 1.17 1.58 -1.08 0.00 0.00 175.30 177.14 2qoz n HIS 80 N -0.76 1.68 -0.01 5.89 -0.00 -0.39 -4.88 115.22 116.74 2qoz n HIS 80 Ca -0.05 0.48 0.21 0.00 -0.00 0.00 0.00 57.72 58.36 2qoz n HIS 80 Cb 0.62 -2.29 0.70 0.00 -0.00 0.00 0.00 29.99 29.02 2qoz n HIS 80 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2qoz h PRO 81 N 1.46 0.00 0.00 1.57 0.11 -2.00 -3.36 132.00 129.79 2qoz h PRO 81 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2qoz h PRO 81 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 2qoz h PRO 81 CO 0.57 0.00 0.00 2.48 -0.21 0.00 0.00 178.00 180.84 2qoz n TYR 82 N -4.32 0.00 -2.90 0.65 0.18 -1.26 -5.08 117.16 104.43 2qoz n TYR 82 Ca 0.11 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.47 2qoz n TYR 82 Cb 0.65 0.00 -0.04 0.00 -0.38 0.00 0.00 39.34 39.57 2qoz n TYR 82 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2qoz s LYS 83 N -0.03 4.19 -0.80 -3.48 1.02 -1.26 -4.96 119.74 114.43 2qoz s LYS 83 Ca 0.00 0.93 -0.24 0.00 0.02 0.00 0.00 55.97 56.68 2qoz s LYS 83 Cb 0.00 -3.64 -0.16 0.00 -0.52 0.00 0.00 37.83 33.51 2qoz s LYS 83 CO 0.00 -0.49 2.39 -2.30 -0.92 0.00 0.00 175.35 174.03 2qoz n PRO 84 N 5.88 0.52 0.00 -1.68 -0.02 -1.26 -4.06 135.00 134.38 2qoz n PRO 84 Ca 0.05 -0.67 0.00 0.00 -2.02 0.00 0.00 63.50 60.86 2qoz n PRO 84 Cb 0.48 -3.32 0.00 0.00 -0.02 0.00 0.00 33.50 30.64 2qoz n PRO 84 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2qoz n LYS 85 N 8.41 0.00 -1.83 -0.52 2.85 -1.26 -5.05 118.16 120.76 2qoz n LYS 85 Ca 0.49 0.00 -0.19 0.00 -1.05 0.00 0.00 58.31 57.57 2qoz n LYS 85 Cb 0.40 0.00 0.11 0.00 -0.65 0.00 0.00 35.03 34.89 2qoz n LYS 85 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2qoz n LEU 86 N 0.00 0.00 0.00 -5.58 4.77 -1.26 -1.26 117.00 113.67 2qoz n LEU 86 Ca 0.00 -1.39 0.00 0.00 -0.03 0.00 0.00 56.01 54.59 2qoz n LEU 86 Cb 0.00 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.52 2qoz n LEU 86 CO 0.00 -0.97 0.00 0.00 -1.33 0.00 0.00 177.39 175.09 2qoz n GLN 87 N -2.59 0.00 -3.26 3.23 6.02 0.17 -4.53 117.38 116.42 2qoz n GLN 87 Ca 0.12 0.00 0.03 0.00 -0.01 0.00 0.00 57.00 57.15 2qoz n GLN 87 Cb 0.43 -0.22 -0.02 0.00 1.02 0.00 0.00 30.24 31.45 2qoz n GLN 87 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2qoz s HIS 88 N -1.00 -0.83 0.17 1.08 5.04 -1.04 -3.67 115.29 115.05 2qoz s HIS 88 Ca 0.00 1.07 0.04 0.00 -1.54 0.00 0.00 55.06 54.64 2qoz s HIS 88 Cb 0.00 0.36 -0.04 0.00 0.04 0.00 0.00 32.58 32.95 2qoz s HIS 88 CO 0.00 -0.44 0.23 0.42 -2.34 0.00 0.00 174.74 172.61 2qoz s ILE 89 N 2.76 4.91 -0.38 0.89 1.09 -1.26 -1.25 121.20 127.96 2qoz s ILE 89 Ca 0.03 -0.94 -0.07 0.00 -1.10 0.00 0.00 60.65 58.56 2qoz s ILE 89 Cb -0.10 -3.55 0.06 0.00 -1.06 0.00 0.00 42.46 37.81 2qoz s ILE 89 CO -0.16 -0.15 0.18 -1.81 -0.10 0.00 0.00 174.94 172.90 2qoz s ASP 90 N -3.32 5.44 -0.17 3.58 1.11 0.17 -3.23 116.67 120.26 2qoz s ASP 90 Ca 0.33 -1.37 -0.10 0.00 0.18 0.00 0.00 52.55 51.59 2qoz s ASP 90 Cb -0.10 -1.91 -0.05 0.00 1.07 0.00 0.00 42.92 41.93 2qoz s ASP 90 CO 0.26 -0.43 0.17 -0.36 1.18 0.00 0.00 175.17 175.99 2qoz s PHE 91 N 1.39 3.48 -0.14 4.23 2.99 -0.37 0.48 117.98 130.03 2qoz s PHE 91 Ca 0.01 0.45 0.01 0.00 0.00 0.00 0.00 56.93 57.40 2qoz s PHE 91 Cb -0.21 -2.14 0.02 0.00 0.00 0.00 0.00 43.02 40.69 2qoz s PHE 91 CO 0.02 0.41 -0.16 0.08 -0.00 0.00 0.00 175.22 175.57 2qoz s VAL 92 N -0.03 1.66 -0.52 -0.44 1.01 -0.82 -1.63 120.40 119.63 2qoz s VAL 92 Ca 0.12 -0.71 -0.37 0.00 0.00 0.00 0.00 61.98 61.01 2qoz s VAL 92 Cb -0.12 -1.52 -0.16 0.00 0.00 0.00 0.00 36.38 34.58 2qoz s VAL 92 CO 0.01 0.47 2.27 0.54 0.00 0.00 0.00 175.10 178.39 2qoz n ARG 93 N 4.48 0.49 0.00 2.72 1.74 -0.91 -0.63 116.66 124.55 2qoz n ARG 93 Ca -0.18 0.12 0.00 0.00 -0.77 0.00 0.00 57.85 57.01 2qoz n ARG 93 Cb 0.51 -2.01 0.00 0.00 -1.02 0.00 0.00 32.46 29.94 2qoz n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11