#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbk n PHE 2 N 0.00 -2.44 -2.00 1.12 3.72 -1.26 -3.10 117.46 113.50 2qbk n PHE 2 Ca 0.00 0.93 -0.43 0.00 -0.05 0.00 0.00 57.45 57.90 2qbk n PHE 2 Cb 0.00 -3.66 -0.03 0.00 -0.94 0.00 0.00 39.48 34.86 2qbk n PHE 2 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 176.76 177.66 2qbk s THR 3 N -3.01 3.49 -0.78 4.37 -4.23 -1.26 -1.35 115.64 112.86 2qbk s THR 3 Ca 0.01 0.51 0.02 0.00 -1.18 0.00 0.00 61.69 61.06 2qbk s THR 3 Cb -0.00 -3.62 0.32 0.00 1.34 0.00 0.00 72.50 70.54 2qbk s THR 3 CO 0.62 -0.37 1.27 -0.38 -0.54 0.00 0.00 174.62 175.22 2qbk n ILE 4 N 7.22 4.24 -1.59 2.99 5.41 0.20 -4.93 119.36 132.90 2qbk n ILE 4 Ca 0.22 -5.72 -0.41 0.00 1.00 0.00 0.00 62.75 57.84 2qbk n ILE 4 Cb 0.46 -1.59 0.01 0.00 -0.71 0.00 0.00 39.64 37.81 2qbk n ILE 4 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 2qbk n ASN 5 N 0.08 1.00 0.00 4.38 6.94 -1.25 -2.20 115.26 124.20 2qbk n ASN 5 Ca 0.36 1.01 0.00 0.00 -0.02 0.00 0.00 54.58 55.93 2qbk n ASN 5 Cb 0.34 -1.33 0.00 0.00 -2.36 0.00 0.00 39.78 36.44 2qbk n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2qbk n ALA 6 N -0.57 0.00 -3.32 -2.53 0.00 0.87 -4.55 120.51 110.41 2qbk n ALA 6 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.58 2qbk n ALA 6 Cb 0.39 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.85 2qbk n ALA 6 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2qbk n GLU 7 N 0.00 0.16 -3.62 0.00 0.28 -1.26 -4.54 120.64 111.65 2qbk n GLU 7 Ca 0.00 -0.41 -0.38 0.00 -0.16 0.00 0.00 57.16 56.22 2qbk n GLU 7 Cb 0.00 0.58 -0.06 0.00 1.43 0.00 0.00 31.44 33.39 2qbk n GLU 7 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 2qbk s VAL 8 N -2.28 5.18 0.05 3.84 1.01 -1.26 -2.08 120.40 124.85 2qbk s VAL 8 Ca 0.09 0.64 -0.30 0.00 0.00 0.00 0.00 61.98 62.40 2qbk s VAL 8 Cb -0.01 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.68 2qbk s VAL 8 CO 0.01 0.59 1.66 -0.13 0.00 0.00 0.00 175.10 177.23 2qbk s ARG 9 N -1.08 4.20 0.18 2.72 1.81 0.69 -4.78 118.95 122.69 2qbk s ARG 9 Ca 0.21 2.31 -0.03 0.00 -1.72 0.00 0.00 55.73 56.50 2qbk s ARG 9 Cb -0.15 -3.69 0.09 0.00 -0.45 0.00 0.00 34.95 30.75 2qbk s ARG 9 CO 0.11 -0.76 1.48 -0.22 -0.68 0.00 0.00 175.30 175.23 2qbk h LYS 10 N 8.61 0.54 0.00 3.54 3.64 -1.97 -3.47 116.57 127.47 2qbk h LYS 10 Ca -0.42 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 58.60 2qbk h LYS 10 Cb 1.20 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2qbk h LYS 10 CO 0.93 0.97 0.00 0.39 -2.27 0.00 0.00 179.45 179.48 2qbk n GLU 11 N -3.94 0.87 -3.70 1.90 1.02 -1.26 -5.19 120.64 110.35 2qbk n GLU 11 Ca -0.04 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.13 2qbk n GLU 11 Cb 0.63 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 32.06 2qbk n GLU 11 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2qbk n GLN 12 N 0.00 0.18 0.00 3.49 -0.00 -1.26 -4.96 117.38 114.83 2qbk n GLN 12 Ca 0.00 -0.71 0.00 0.00 -0.00 0.00 0.00 57.00 56.29 2qbk n GLN 12 Cb 0.00 1.15 0.00 0.00 -0.00 0.00 0.00 30.24 31.39 2qbk n GLN 12 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2qbk n GLY 13 N -0.79 -1.67 0.42 2.61 0.00 -1.26 -3.70 105.19 100.80 2qbk n GLY 13 Ca 0.03 -1.54 -0.12 0.00 0.00 0.00 0.00 46.02 44.39 2qbk n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qbk h LYS 14 N 0.00 -0.37 -0.08 1.61 3.64 -2.02 -0.40 116.57 118.95 2qbk h LYS 14 Ca 0.00 0.03 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 2qbk h LYS 14 Cb 0.00 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 2qbk h LYS 14 CO 0.00 -0.25 -0.09 0.78 -2.27 0.00 0.00 179.45 177.62 2qbk h GLY 15 N -0.38 -1.89 0.26 5.01 0.00 -2.00 -0.03 103.07 104.04 2qbk h GLY 15 Ca 0.10 0.86 0.00 0.00 0.00 0.00 0.00 47.33 48.29 2qbk h GLY 15 CO -0.57 -0.67 -0.49 0.00 0.00 0.00 0.00 176.54 174.81 2qbk h ALA 16 N -1.04 -1.04 -0.38 3.60 0.00 -1.60 -2.41 119.26 116.39 2qbk h ALA 16 Ca 0.01 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.83 2qbk h ALA 16 Cb 0.09 0.81 -0.07 0.00 0.00 0.00 0.00 17.79 18.62 2qbk h ALA 16 CO -0.11 -1.12 -0.45 0.77 0.00 0.00 0.00 179.25 178.34 2qbk h SER 17 N -0.81 -1.52 -0.95 0.00 0.02 -0.96 -0.61 113.55 108.73 2qbk h SER 17 Ca -0.03 0.20 0.21 0.00 -0.84 0.00 0.00 61.79 61.33 2qbk h SER 17 Cb 0.76 0.63 -0.11 0.00 0.14 0.00 0.00 62.40 63.81 2qbk h SER 17 CO -0.18 -0.31 0.52 -0.09 -1.14 0.00 0.00 176.83 175.63 2qbk h ARG 18 N -0.28 0.58 -0.84 3.45 9.65 -0.97 0.22 114.38 126.18 2qbk h ARG 18 Ca 0.07 -0.03 0.04 0.00 -1.10 0.00 0.00 59.98 58.95 2qbk h ARG 18 Cb 0.46 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 28.86 2qbk h ARG 18 CO -0.50 0.38 0.53 0.00 2.80 0.00 0.00 179.97 183.18 2qbk h ARG 19 N 0.59 0.99 -0.49 0.20 3.08 -0.62 -2.70 114.38 115.43 2qbk h ARG 19 Ca 0.57 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.58 2qbk h ARG 19 Cb 0.99 -0.22 -0.03 0.00 0.08 0.00 0.00 29.97 30.79 2qbk h ARG 19 CO -0.44 0.65 0.31 -0.07 -1.07 0.00 0.00 179.97 179.35 2qbk h LEU 20 N 1.02 0.53 -2.38 3.04 3.38 0.31 -1.83 115.31 119.37 2qbk h LEU 20 Ca 0.34 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 58.33 2qbk h LEU 20 Cb 0.05 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2qbk h LEU 20 CO -0.13 0.38 0.14 0.03 0.09 0.00 0.00 178.44 178.95 2qbk h ARG 21 N 0.63 0.00 0.00 1.13 3.08 -1.14 0.51 114.38 118.59 2qbk h ARG 21 Ca 0.19 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 2qbk h ARG 21 Cb -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 2qbk h ARG 21 CO -0.06 0.00 -0.09 0.00 -1.07 0.00 0.00 179.97 178.75 2qbk h ALA 22 N 1.81 1.06 -0.28 0.04 0.00 -1.28 -2.47 119.26 118.14 2qbk h ALA 22 Ca 0.05 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 2qbk h ALA 22 Cb 0.32 -0.01 -0.10 0.00 0.00 0.00 0.00 17.79 18.00 2qbk h ALA 22 CO -0.00 0.12 -0.24 0.00 0.00 0.00 0.00 179.25 179.12 2qbk n ALA 23 N -2.17 4.22 0.00 0.00 0.00 0.17 -5.00 120.51 117.75 2qbk n ALA 23 Ca -0.00 -3.25 0.00 0.00 0.00 0.00 0.00 53.44 50.18 2qbk n ALA 23 Cb 0.31 -0.61 0.00 0.00 0.00 0.00 0.00 19.45 19.15 2qbk n ALA 23 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qbk n ASN 24 N -1.10 0.00 -4.32 0.00 4.13 -0.93 -4.84 115.26 108.20 2qbk n ASN 24 Ca 0.30 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 56.32 2qbk n ASN 24 Cb 0.92 0.00 -0.21 0.00 -1.54 0.00 0.00 39.78 38.95 2qbk n ASN 24 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 2qbk n LYS 25 N 0.00 0.00 -3.20 3.52 5.02 -1.24 -3.76 118.16 118.51 2qbk n LYS 25 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 58.31 55.90 2qbk n LYS 25 Cb 0.00 -1.05 -0.06 0.00 -0.02 0.00 0.00 35.03 33.90 2qbk n LYS 25 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 2qbk s PHE 26 N 1.68 3.76 1.05 2.13 -0.12 -0.72 -3.84 117.98 121.91 2qbk s PHE 26 Ca 1.28 1.28 -0.12 0.00 -0.05 0.00 0.00 56.93 59.32 2qbk s PHE 26 Cb -0.89 -2.59 0.22 0.00 -0.63 0.00 0.00 43.02 39.13 2qbk s PHE 26 CO 0.53 0.46 1.07 -1.25 -0.05 0.00 0.00 175.22 175.98 2qbk s PRO 27 N -0.65 0.02 0.00 1.99 0.04 -1.25 -3.44 135.00 131.71 2qbk s PRO 27 Ca 0.31 0.75 0.00 0.00 0.04 0.00 0.00 61.00 62.10 2qbk s PRO 27 Cb -0.19 -1.67 0.00 0.00 0.04 0.00 0.00 34.50 32.68 2qbk s PRO 27 CO 0.19 -3.07 0.00 0.00 0.04 0.00 0.00 177.00 174.16 2qbk n ALA 28 N -4.45 0.00 -3.27 8.56 0.00 -1.15 -3.82 120.51 116.39 2qbk n ALA 28 Ca 0.05 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.39 2qbk n ALA 28 Cb 0.55 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.97 2qbk n ALA 28 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2qbk s ILE 29 N -2.18 0.03 -0.21 0.00 -5.25 -1.15 -3.51 121.20 108.93 2qbk s ILE 29 Ca 0.00 -0.54 -0.04 0.00 -0.99 0.00 0.00 60.65 59.08 2qbk s ILE 29 Cb 0.00 -1.35 0.07 0.00 2.95 0.00 0.00 42.46 44.13 2qbk s ILE 29 CO 0.00 -0.14 0.08 -0.63 -1.79 0.00 0.00 174.94 172.46 2qbk s ILE 30 N -3.83 0.16 0.35 8.37 1.01 -1.04 -1.16 121.20 125.05 2qbk s ILE 30 Ca 0.06 -0.46 0.03 0.00 0.00 0.00 0.00 60.65 60.28 2qbk s ILE 30 Cb -0.00 -0.85 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 2qbk s ILE 30 CO -0.07 -0.36 0.10 -0.72 0.00 0.00 0.00 174.94 173.88 2qbk s TYR 31 N 2.01 1.81 0.00 3.97 -0.85 -0.56 -1.27 117.35 122.46 2qbk s TYR 31 Ca 0.03 -1.15 0.00 0.00 -0.52 0.00 0.00 57.07 55.43 2qbk s TYR 31 Cb -0.16 -1.15 0.00 0.00 0.38 0.00 0.00 41.96 41.03 2qbk s TYR 31 CO -0.14 -0.20 0.00 0.41 -1.52 0.00 0.00 175.55 174.10 2qbk n GLY 32 N -0.74 0.63 0.00 5.49 0.00 -1.26 -2.63 105.19 106.68 2qbk n GLY 32 Ca -0.03 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.21 2qbk n GLY 32 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qbk n GLY 33 N 0.59 0.51 0.08 -0.02 0.00 -1.26 -4.04 105.19 101.05 2qbk n GLY 33 Ca 0.00 -1.38 -0.13 0.00 0.00 0.00 0.00 46.02 44.51 2qbk n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qbk h LYS 34 N 0.00 0.00 -7.30 1.61 1.57 -1.99 -3.47 116.57 106.98 2qbk h LYS 34 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 2qbk h LYS 34 Cb 0.00 0.00 0.15 0.00 0.08 0.00 0.00 32.23 32.46 2qbk h LYS 34 CO 0.00 0.66 0.27 -1.83 -0.57 0.00 0.00 179.45 177.99 2qbk s GLU 35 N -2.19 1.70 0.50 3.15 -1.05 -1.26 -5.03 118.70 114.52 2qbk s GLU 35 Ca -0.20 1.24 -0.09 0.00 -0.15 0.00 0.00 54.97 55.78 2qbk s GLU 35 Cb 0.02 -1.83 -0.05 0.00 -0.44 0.00 0.00 34.13 31.83 2qbk s GLU 35 CO 0.46 -2.06 0.86 0.00 0.95 0.00 0.00 175.26 175.47 2qbk s ALA 36 N -2.82 3.29 -0.18 -0.84 0.00 -1.26 -4.64 121.76 115.31 2qbk s ALA 36 Ca 0.63 -0.27 -0.39 0.00 0.00 0.00 0.00 51.96 51.94 2qbk s ALA 36 Cb -0.19 -2.78 -0.15 0.00 0.00 0.00 0.00 23.12 19.99 2qbk s ALA 36 CO 0.57 -0.34 1.67 -2.30 0.00 0.00 0.00 175.76 175.36 2qbk n PRO 37 N -2.08 1.28 -2.97 0.00 -0.02 -1.25 -4.89 135.00 125.07 2qbk n PRO 37 Ca 0.03 0.47 -0.41 0.00 -2.02 0.00 0.00 63.50 61.57 2qbk n PRO 37 Cb 0.54 -2.16 -0.05 0.00 -0.02 0.00 0.00 33.50 31.81 2qbk n PRO 37 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 2qbk s LEU 38 N 2.92 4.12 -0.94 2.45 2.96 -0.39 -4.84 118.68 124.96 2qbk s LEU 38 Ca 0.95 0.99 -0.22 0.00 -0.22 0.00 0.00 54.13 55.63 2qbk s LEU 38 Cb -1.00 -3.09 0.08 0.00 0.50 0.00 0.00 46.19 42.68 2qbk s LEU 38 CO 0.60 -0.40 1.29 0.00 -1.32 0.00 0.00 176.35 176.52 2qbk s ALA 39 N 2.34 2.98 0.54 5.97 0.00 -1.26 -2.51 121.76 129.82 2qbk s ALA 39 Ca 0.33 -2.35 0.08 0.00 0.00 0.00 0.00 51.96 50.02 2qbk s ALA 39 Cb -0.16 -4.29 0.07 0.00 0.00 0.00 0.00 23.12 18.74 2qbk s ALA 39 CO 0.10 -3.31 0.74 0.96 0.00 0.00 0.00 175.76 174.25 2qbk s ILE 40 N 4.14 2.42 -0.46 0.00 -0.00 -1.23 0.25 121.20 126.32 2qbk s ILE 40 Ca 0.39 -0.95 0.07 0.00 -0.00 0.00 0.00 60.65 60.15 2qbk s ILE 40 Cb -0.03 -2.47 0.23 0.00 -0.00 0.00 0.00 42.46 40.19 2qbk s ILE 40 CO -0.07 0.00 0.71 -1.84 -0.00 0.00 0.00 174.94 173.74 2qbk n GLU 41 N -2.18 0.67 -1.43 0.37 0.28 -0.88 -2.93 120.64 114.54 2qbk n GLU 41 Ca 0.13 -2.34 -0.33 0.00 -0.16 0.00 0.00 57.16 54.46 2qbk n GLU 41 Cb 0.61 -1.41 0.09 0.00 1.43 0.00 0.00 31.44 32.15 2qbk n GLU 41 CO 0.00 0.00 0.00 -0.48 -0.16 0.00 0.00 177.13 176.49 2qbk s LEU 42 N -0.53 3.24 0.74 -1.84 2.34 -1.22 -4.43 118.68 116.98 2qbk s LEU 42 Ca 0.33 2.13 -0.11 0.00 0.06 0.00 0.00 54.13 56.53 2qbk s LEU 42 Cb 0.16 -4.56 0.04 0.00 -0.56 0.00 0.00 46.19 41.26 2qbk s LEU 42 CO -0.17 -2.10 1.09 -0.62 -1.06 0.00 0.00 176.35 173.48 2qbk s ASP 43 N -2.51 4.79 0.00 1.48 -1.08 -1.26 -1.76 116.67 116.32 2qbk s ASP 43 Ca 0.69 1.81 0.00 0.00 -0.52 0.00 0.00 52.55 54.53 2qbk s ASP 43 Cb -0.23 -2.52 0.00 0.00 -1.46 0.00 0.00 42.92 38.71 2qbk s ASP 43 CO 0.47 -1.84 0.00 1.57 0.52 0.00 0.00 175.17 175.89 2qbk n HIS 44 N -3.25 0.00 -0.13 -5.34 -0.00 -1.25 -3.51 115.22 101.75 2qbk n HIS 44 Ca 0.09 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.87 2qbk n HIS 44 Cb 0.53 -0.02 0.12 0.00 -0.00 0.00 0.00 29.99 30.62 2qbk n HIS 44 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 2qbk n ASP 45 N -0.69 -0.02 0.00 0.26 8.00 -1.26 0.09 116.55 122.93 2qbk n ASP 45 Ca 0.00 0.62 0.00 0.00 0.71 0.00 0.00 54.79 56.12 2qbk n ASP 45 Cb 0.00 -0.24 0.00 0.00 -0.02 0.00 0.00 41.12 40.86 2qbk n ASP 45 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 2qbk n LYS 46 N -4.27 0.00 -0.20 -1.24 4.01 -1.26 -3.53 118.16 111.67 2qbk n LYS 46 Ca 0.09 0.48 0.13 0.00 -0.51 0.00 0.00 58.31 58.51 2qbk n LYS 46 Cb 0.31 -1.40 0.45 0.00 -0.51 0.00 0.00 35.03 33.88 2qbk n LYS 46 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2qbk h VAL 47 N 0.00 0.83 -0.96 -0.18 2.07 -0.82 -1.50 116.25 115.70 2qbk h VAL 47 Ca 0.00 -0.18 0.26 0.00 0.82 0.00 0.00 66.70 67.59 2qbk h VAL 47 Cb 0.00 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 29.96 2qbk h VAL 47 CO 0.00 0.10 0.66 -0.03 0.02 0.00 0.00 177.57 178.32 2qbk h MET 48 N 0.53 0.17 0.06 1.57 -1.53 -0.39 -0.52 114.93 114.82 2qbk h MET 48 Ca 0.39 -0.01 -0.32 0.00 -3.44 0.00 0.00 59.70 56.32 2qbk h MET 48 Cb 0.74 -0.04 -0.03 0.00 -0.55 0.00 0.00 31.60 31.72 2qbk h MET 48 CO -0.14 0.12 -1.79 -0.91 0.14 0.00 0.00 176.91 174.32 2qbk h ASN 49 N 0.18 0.19 -0.94 1.39 2.35 -1.32 -3.35 115.58 114.08 2qbk h ASN 49 Ca 0.48 -0.40 0.11 0.00 -0.55 0.00 0.00 56.30 55.95 2qbk h ASN 49 Cb 1.60 -0.06 -0.08 0.00 0.05 0.00 0.00 38.32 39.83 2qbk h ASN 49 CO -0.10 1.36 0.58 0.24 -1.65 0.00 0.00 177.43 177.85 2qbk h MET 50 N 0.03 0.90 0.00 0.81 2.86 -0.96 0.19 114.93 118.76 2qbk h MET 50 Ca -0.33 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.26 2qbk h MET 50 Cb 2.02 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 33.48 2qbk h MET 50 CO 0.09 0.59 0.00 -0.56 1.06 0.00 0.00 176.91 178.09 2qbk h GLN 51 N 0.92 0.00 0.00 1.72 -0.00 -1.58 -2.93 115.11 113.24 2qbk h GLN 51 Ca 0.46 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 59.09 2qbk h GLN 51 Cb 0.45 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 27.92 2qbk h GLN 51 CO -0.26 0.00 -0.11 0.00 -0.00 0.00 0.00 178.83 178.46 2qbk h ALA 52 N 2.13 1.49 -2.51 0.06 0.00 -0.75 -3.39 119.26 116.29 2qbk h ALA 52 Ca 0.00 -0.10 -0.66 0.00 0.00 0.00 0.00 54.91 54.15 2qbk h ALA 52 Cb 0.50 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.11 2qbk h ALA 52 CO 0.00 0.14 -0.17 0.21 0.00 0.00 0.00 179.25 179.43 2qbk s LYS 53 N -4.46 3.57 0.47 0.00 2.36 -1.11 -4.95 119.74 115.62 2qbk s LYS 53 Ca -0.04 -0.31 0.34 0.00 -2.55 0.00 0.00 55.97 53.41 2qbk s LYS 53 Cb 0.15 -3.81 1.48 0.00 -1.05 0.00 0.00 37.83 34.59 2qbk s LYS 53 CO 0.62 -0.60 1.63 0.00 1.55 0.00 0.00 175.35 178.55 2qbk h ALA 54 N 8.47 2.95 0.00 3.13 0.00 -1.87 0.62 119.26 132.57 2qbk h ALA 54 Ca -0.29 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2qbk h ALA 54 Cb 1.13 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.10 2qbk h ALA 54 CO 0.74 -1.55 0.16 0.39 0.00 0.00 0.00 179.25 178.99 2qbk n GLU 55 N -4.52 0.08 0.22 0.00 4.71 -1.26 -0.49 120.64 119.38 2qbk n GLU 55 Ca 0.37 0.54 0.10 0.00 -0.01 0.00 0.00 57.16 58.16 2qbk n GLU 55 Cb 1.51 -1.92 0.46 0.00 -1.01 0.00 0.00 31.44 30.49 2qbk n GLU 55 CO 0.00 0.00 0.00 0.35 0.09 0.00 0.00 177.13 177.57 2qbk h PHE 56 N 0.00 0.00 -0.35 -0.32 3.57 0.03 -0.94 116.94 118.93 2qbk h PHE 56 Ca 0.00 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 2qbk h PHE 56 Cb 0.31 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.04 2qbk h PHE 56 CO 0.00 0.23 0.02 0.66 -2.23 0.00 0.00 178.31 176.99 2qbk n TYR 57 N -3.42 1.24 0.00 0.41 4.02 0.36 -4.58 117.16 115.19 2qbk n TYR 57 Ca -0.00 -0.94 0.00 0.00 -0.01 0.00 0.00 57.90 56.95 2qbk n TYR 57 Cb 0.43 -0.39 0.00 0.00 -0.02 0.00 0.00 39.34 39.36 2qbk n TYR 57 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 2qbk n SER 58 N -0.37 0.45 -4.94 7.72 7.64 -1.12 -4.97 113.62 118.03 2qbk n SER 58 Ca 0.25 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.88 2qbk n SER 58 Cb 0.99 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 64.21 2qbk n SER 58 CO 0.00 0.00 0.00 -0.70 -3.01 0.00 0.00 175.04 171.33 2qbk s GLU 59 N -1.28 2.95 0.16 1.43 -6.30 -0.37 -5.05 118.70 110.22 2qbk s GLU 59 Ca 0.00 -0.28 -0.30 0.00 -2.50 0.00 0.00 54.97 51.89 2qbk s GLU 59 Cb 0.00 -2.41 -0.07 0.00 0.00 0.00 0.00 34.13 31.64 2qbk s GLU 59 CO 0.00 -0.51 1.10 0.08 0.02 0.00 0.00 175.26 175.95 2qbk s VAL 60 N -2.78 3.94 0.28 3.70 1.01 -1.26 -4.74 120.40 120.55 2qbk s VAL 60 Ca 0.52 1.63 -0.13 0.00 0.00 0.00 0.00 61.98 64.00 2qbk s VAL 60 Cb -0.10 -4.04 -0.08 0.00 0.00 0.00 0.00 36.38 32.16 2qbk s VAL 60 CO 0.41 0.26 0.65 -0.76 0.00 0.00 0.00 175.10 175.66 2qbk s LEU 61 N -0.15 4.12 -0.56 3.92 1.43 0.20 -4.55 118.68 123.09 2qbk s LEU 61 Ca 0.50 1.12 0.04 0.00 -1.03 0.00 0.00 54.13 54.76 2qbk s LEU 61 Cb -0.29 -3.88 0.16 0.00 0.03 0.00 0.00 46.19 42.21 2qbk s LEU 61 CO 0.34 -0.14 0.38 0.42 0.23 0.00 0.00 176.35 177.58 2qbk s THR 62 N -1.89 1.91 -0.21 5.49 -4.23 -0.46 -0.27 115.64 115.98 2qbk s THR 62 Ca 0.51 -3.41 -0.29 0.00 -1.18 0.00 0.00 61.69 57.31 2qbk s THR 62 Cb -0.11 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.45 2qbk s THR 62 CO 0.19 -1.02 1.09 -0.63 -0.54 0.00 0.00 174.62 173.71 2qbk s ILE 63 N -0.58 4.59 -0.36 2.99 1.09 -1.26 0.60 121.20 128.27 2qbk s ILE 63 Ca 0.24 1.92 -0.12 0.00 -1.10 0.00 0.00 60.65 61.59 2qbk s ILE 63 Cb -0.09 -4.24 0.00 0.00 -1.06 0.00 0.00 42.46 37.08 2qbk s ILE 63 CO -0.12 -0.16 0.23 -0.69 -0.10 0.00 0.00 174.94 174.10 2qbk s VAL 64 N 3.21 4.98 0.02 2.92 1.01 -0.93 -3.75 120.40 127.85 2qbk s VAL 64 Ca 0.47 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 2qbk s VAL 64 Cb -0.17 -3.66 -0.00 0.00 0.00 0.00 0.00 36.38 32.55 2qbk s VAL 64 CO 0.08 -0.13 0.14 0.68 0.00 0.00 0.00 175.10 175.88 2qbk s VAL 65 N 1.65 0.10 0.00 2.92 -7.23 -1.26 -0.09 120.40 116.50 2qbk s VAL 65 Ca 0.05 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.36 2qbk s VAL 65 Cb -0.18 -0.69 0.00 0.00 0.56 0.00 0.00 36.38 36.07 2qbk s VAL 65 CO 0.09 -0.47 0.00 -0.67 -0.31 0.00 0.00 175.10 173.73 2qbk n ASP 66 N 1.06 0.00 0.00 4.85 -0.08 -1.26 -1.85 116.55 119.27 2qbk n ASP 66 Ca -0.21 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.07 2qbk n ASP 66 Cb 0.57 -0.23 0.00 0.00 2.34 0.00 0.00 41.12 43.80 2qbk n ASP 66 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2qbk n GLY 67 N -1.09 1.16 0.00 0.27 0.00 -1.26 -5.10 105.19 99.17 2qbk n GLY 67 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qbk n GLY 67 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2qbk n LYS 68 N 0.00 3.75 -3.90 1.61 2.85 -0.77 -5.16 118.16 116.54 2qbk n LYS 68 Ca 0.00 0.00 -0.08 0.00 -1.05 0.00 0.00 58.31 57.18 2qbk n LYS 68 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 2qbk n LYS 68 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 2qbk s GLU 69 N 3.94 1.81 0.00 -1.58 1.03 -1.26 -4.03 118.70 118.61 2qbk s GLU 69 Ca 0.00 -1.16 0.00 0.00 0.03 0.00 0.00 54.97 53.84 2qbk s GLU 69 Cb 0.00 0.57 0.00 0.00 -0.80 0.00 0.00 34.13 33.90 2qbk s GLU 69 CO 0.00 -0.81 0.00 0.44 -1.33 0.00 0.00 175.26 173.56 2qbk n ILE 70 N -0.46 0.00 -2.83 1.83 -0.00 -1.25 -5.01 119.36 111.66 2qbk n ILE 70 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 62.75 62.70 2qbk n ILE 70 Cb 0.60 -0.04 -0.01 0.00 -0.00 0.00 0.00 39.64 40.19 2qbk n ILE 70 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2qbk n LYS 71 N -1.64 -2.89 -0.14 6.28 5.02 -1.25 -4.87 118.16 118.67 2qbk n LYS 71 Ca 0.00 2.39 0.00 0.00 -2.02 0.00 0.00 58.31 58.68 2qbk n LYS 71 Cb 0.00 -4.01 0.00 0.00 -0.02 0.00 0.00 35.03 31.00 2qbk n LYS 71 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2qbk n VAL 72 N 1.21 0.00 -4.50 -0.18 0.24 0.63 -4.07 118.33 111.65 2qbk n VAL 72 Ca -0.09 0.00 -0.24 0.00 -2.04 0.00 0.00 64.34 61.97 2qbk n VAL 72 Cb 0.25 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.51 2qbk n VAL 72 CO 0.00 0.00 0.00 -0.54 -2.14 0.00 0.00 176.83 174.15 2qbk s LYS 73 N 0.79 1.72 -0.53 7.34 1.02 -0.51 0.59 119.74 130.16 2qbk s LYS 73 Ca 0.00 -1.91 -0.14 0.00 0.02 0.00 0.00 55.97 53.94 2qbk s LYS 73 Cb 0.00 -1.36 0.13 0.00 -0.52 0.00 0.00 37.83 36.08 2qbk s LYS 73 CO 0.00 0.02 0.46 0.00 -0.92 0.00 0.00 175.35 174.91 2qbk s ALA 74 N -2.88 3.59 0.00 5.17 0.00 -1.26 -1.66 121.76 124.72 2qbk s ALA 74 Ca 0.32 -2.56 0.00 0.00 0.00 0.00 0.00 51.96 49.73 2qbk s ALA 74 Cb 0.05 -3.15 0.00 0.00 0.00 0.00 0.00 23.12 20.02 2qbk s ALA 74 CO 0.15 -2.00 0.00 1.04 0.00 0.00 0.00 175.76 174.95 2qbk n GLN 75 N 5.13 0.00 -3.90 0.00 1.13 0.25 -4.92 117.38 115.06 2qbk n GLN 75 Ca -0.12 0.00 -0.25 0.00 -1.94 0.00 0.00 57.00 54.69 2qbk n GLN 75 Cb 0.40 -0.13 -0.02 0.00 0.11 0.00 0.00 30.24 30.60 2qbk n GLN 75 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 2qbk s ASP 76 N -1.33 4.65 0.02 1.08 3.68 -1.21 -4.92 116.67 118.63 2qbk s ASP 76 Ca 0.00 -1.16 -0.13 0.00 2.13 0.00 0.00 52.55 53.39 2qbk s ASP 76 Cb 0.00 0.12 0.02 0.00 -1.45 0.00 0.00 42.92 41.61 2qbk s ASP 76 CO 0.00 -0.94 0.29 0.54 0.13 0.00 0.00 175.17 175.19 2qbk s VAL 77 N -2.70 0.08 -0.48 1.11 0.11 -1.26 -0.60 120.40 116.65 2qbk s VAL 77 Ca 0.36 -0.63 0.03 0.00 -2.93 0.00 0.00 61.98 58.81 2qbk s VAL 77 Cb -0.01 -0.80 0.14 0.00 -1.53 0.00 0.00 36.38 34.18 2qbk s VAL 77 CO 0.22 -0.35 0.29 -1.10 -3.33 0.00 0.00 175.10 170.83 2qbk s GLN 78 N -2.07 1.49 0.82 1.54 -0.21 0.24 -4.97 119.66 116.50 2qbk s GLN 78 Ca -0.08 -2.28 -0.12 0.00 0.02 0.00 0.00 55.36 52.89 2qbk s GLN 78 Cb -0.03 -2.51 0.09 0.00 1.00 0.00 0.00 33.01 31.57 2qbk s GLN 78 CO -0.00 -1.20 1.17 -0.98 -2.12 0.00 0.00 175.29 172.16 2qbk s ARG 79 N -0.01 1.85 0.44 2.91 1.70 -1.26 -0.28 118.95 124.29 2qbk s ARG 79 Ca 0.20 0.14 -0.24 0.00 -0.47 0.00 0.00 55.73 55.36 2qbk s ARG 79 Cb -0.19 -1.93 -0.08 0.00 -0.57 0.00 0.00 34.95 32.18 2qbk s ARG 79 CO -0.04 -1.68 1.18 -1.58 -1.08 0.00 0.00 175.30 172.09 2qbk s HIS 80 N -3.53 2.92 0.30 5.89 5.65 0.18 -4.74 115.29 121.96 2qbk s HIS 80 Ca 0.62 1.53 0.05 0.00 0.25 0.00 0.00 55.06 57.51 2qbk s HIS 80 Cb -0.12 -3.40 0.70 0.00 -1.18 0.00 0.00 32.58 28.58 2qbk s HIS 80 CO 0.50 -1.50 1.77 -1.35 -0.65 0.00 0.00 174.74 173.51 2qbk h PRO 81 N 2.26 0.69 0.00 2.88 0.11 -1.95 -3.35 132.00 132.63 2qbk h PRO 81 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2qbk h PRO 81 Cb 1.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2qbk h PRO 81 CO 0.61 0.46 0.00 2.48 -0.21 0.00 0.00 178.00 181.34 2qbk n TYR 82 N -4.80 0.00 -3.83 0.65 0.18 -1.26 -5.08 117.16 103.02 2qbk n TYR 82 Ca 0.22 0.00 -0.35 0.00 1.88 0.00 0.00 57.90 59.65 2qbk n TYR 82 Cb 0.56 0.00 -0.09 0.00 -0.38 0.00 0.00 39.34 39.43 2qbk n TYR 82 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2qbk s LYS 83 N 0.00 4.11 -0.67 -3.48 1.02 -1.26 -4.99 119.74 114.47 2qbk s LYS 83 Ca 0.00 -0.26 -0.27 0.00 0.02 0.00 0.00 55.97 55.45 2qbk s LYS 83 Cb 0.00 -3.35 -0.28 0.00 -0.52 0.00 0.00 37.83 33.69 2qbk s LYS 83 CO 0.00 0.29 1.88 -2.30 -0.92 0.00 0.00 175.35 174.30 2qbk n PRO 84 N 3.53 0.06 -3.69 -1.68 -0.02 -1.26 -4.02 135.00 127.92 2qbk n PRO 84 Ca -0.16 -1.39 -0.05 0.00 -2.02 0.00 0.00 63.50 59.87 2qbk n PRO 84 Cb 0.52 -3.33 -0.02 0.00 -0.02 0.00 0.00 33.50 30.65 2qbk n PRO 84 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 2qbk s LYS 85 N 7.85 1.16 0.49 -0.52 -2.85 -1.26 -5.04 119.74 119.58 2qbk s LYS 85 Ca 0.74 -0.59 0.07 0.00 -1.00 0.00 0.00 55.97 55.19 2qbk s LYS 85 Cb 0.02 0.43 0.04 0.00 -2.06 0.00 0.00 37.83 36.26 2qbk s LYS 85 CO 0.24 -0.53 0.68 -0.51 0.10 0.00 0.00 175.35 175.33 2qbk s LEU 86 N -2.82 3.42 0.00 2.77 1.43 -1.26 0.49 118.68 122.71 2qbk s LEU 86 Ca 0.10 -0.49 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 2qbk s LEU 86 Cb -0.02 -2.37 0.00 0.00 0.03 0.00 0.00 46.19 43.84 2qbk s LEU 86 CO -0.01 -1.03 0.00 0.00 0.23 0.00 0.00 176.35 175.55 2qbk n GLN 87 N -2.07 0.36 -3.65 1.70 6.02 0.61 -4.59 117.38 115.78 2qbk n GLN 87 Ca 0.10 0.00 -0.05 0.00 -0.01 0.00 0.00 57.00 57.05 2qbk n GLN 87 Cb 0.60 -0.51 -0.07 0.00 1.02 0.00 0.00 30.24 31.28 2qbk n GLN 87 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2qbk s HIS 88 N -0.97 -0.19 0.16 1.08 5.04 -1.14 -3.79 115.29 115.48 2qbk s HIS 88 Ca 0.00 0.47 0.06 0.00 -1.54 0.00 0.00 55.06 54.05 2qbk s HIS 88 Cb 0.00 0.44 -0.04 0.00 0.04 0.00 0.00 32.58 33.02 2qbk s HIS 88 CO 0.00 -0.09 -0.13 0.96 -2.34 0.00 0.00 174.74 173.14 2qbk s ILE 89 N 0.10 1.42 -0.34 0.89 -5.25 -1.25 0.80 121.20 117.58 2qbk s ILE 89 Ca 0.06 -1.98 -0.05 0.00 -0.99 0.00 0.00 60.65 57.69 2qbk s ILE 89 Cb -0.05 -1.79 0.06 0.00 2.95 0.00 0.00 42.46 43.62 2qbk s ILE 89 CO -0.13 -0.57 0.09 -1.81 -1.79 0.00 0.00 174.94 170.74 2qbk s ASP 90 N -2.94 5.19 -0.15 4.36 1.11 0.23 -2.95 116.67 121.52 2qbk s ASP 90 Ca 0.16 -1.33 -0.07 0.00 0.18 0.00 0.00 52.55 51.48 2qbk s ASP 90 Cb -0.01 -1.82 -0.04 0.00 1.07 0.00 0.00 42.92 42.11 2qbk s ASP 90 CO 0.04 -0.35 0.12 -0.36 1.18 0.00 0.00 175.17 175.79 2qbk s PHE 91 N 1.32 3.47 -0.15 4.23 2.99 -0.31 0.84 117.98 130.37 2qbk s PHE 91 Ca -0.01 0.40 -0.01 0.00 0.00 0.00 0.00 56.93 57.31 2qbk s PHE 91 Cb -0.20 -2.01 0.04 0.00 0.00 0.00 0.00 43.02 40.85 2qbk s PHE 91 CO 0.01 0.53 -0.05 0.08 -0.00 0.00 0.00 175.22 175.78 2qbk s VAL 92 N -0.47 0.98 0.08 -0.44 1.01 -0.66 -1.50 120.40 119.40 2qbk s VAL 92 Ca 0.12 -0.47 -0.35 0.00 0.00 0.00 0.00 61.98 61.28 2qbk s VAL 92 Cb -0.12 -1.14 -0.15 0.00 0.00 0.00 0.00 36.38 34.98 2qbk s VAL 92 CO 0.02 0.18 1.55 0.54 0.00 0.00 0.00 175.10 177.39 2qbk n ARG 93 N 4.93 1.79 0.00 2.72 1.74 -1.08 -1.42 116.66 125.33 2qbk n ARG 93 Ca -0.11 0.65 0.00 0.00 -0.77 0.00 0.00 57.85 57.61 2qbk n ARG 93 Cb 0.48 -2.38 0.00 0.00 -1.02 0.00 0.00 32.46 29.54 2qbk n ARG 93 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11