#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qck s THR 2 N 0.00 -0.36 -0.25 1.12 -1.32 -1.26 -5.14 115.64 108.43 1qck s THR 2 Ca 0.00 0.00 -0.10 0.00 -1.21 0.00 0.00 61.69 60.38 1qck s THR 2 Cb 0.00 -1.00 -0.05 0.00 -1.51 0.00 0.00 72.50 69.94 1qck s THR 2 CO 0.00 0.00 0.15 0.42 -2.21 0.00 0.00 174.62 172.98 1qck s THR 3 N 2.06 5.19 0.84 5.08 -4.23 -1.26 -4.98 115.64 118.34 1qck s THR 3 Ca -0.07 0.12 -0.12 0.00 -1.18 0.00 0.00 61.69 60.44 1qck s THR 3 Cb -0.07 -3.43 0.11 0.00 1.34 0.00 0.00 72.50 70.46 1qck s THR 3 CO -0.18 0.33 1.19 -0.44 -0.54 0.00 0.00 174.62 174.99 1qck s SER 4 N 1.23 4.13 0.61 3.99 0.01 -1.26 -4.88 113.70 117.54 1qck s SER 4 Ca 0.07 0.55 0.30 0.00 1.31 0.00 0.00 55.95 58.18 1qck s SER 4 Cb -0.14 -0.93 1.62 0.00 0.21 0.00 0.00 66.02 66.78 1qck s SER 4 CO 0.06 -2.11 2.01 -0.61 0.41 0.00 0.00 173.24 173.00 1qck h GLN 5 N -1.15 0.00 -0.82 12.44 5.75 -2.01 0.04 115.11 129.36 1qck h GLN 5 Ca -0.45 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.04 1qck h GLN 5 Cb 1.30 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 29.81 1qck h GLN 5 CO 0.56 0.00 0.48 0.87 -2.65 0.00 0.00 178.83 178.09 1qck h LYS 6 N 0.00 1.12 0.02 1.69 1.57 -1.96 0.37 116.57 119.37 1qck h LYS 6 Ca 0.11 -0.11 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1qck h LYS 6 Cb 0.74 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 1qck h LYS 6 CO -0.00 0.79 -0.04 1.25 -0.57 0.00 0.00 179.45 180.88 1qck h HIS 7 N 1.13 -0.10 -0.20 -1.35 2.76 -1.32 0.21 115.15 116.28 1qck h HIS 7 Ca 0.29 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.34 1qck h HIS 7 Cb -0.02 0.04 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 1qck h HIS 7 CO 0.01 -0.07 -0.41 0.00 -1.30 0.00 0.00 177.93 176.16 1qck h ARG 8 N -0.08 0.46 -0.46 5.26 3.08 -1.59 -2.82 114.38 118.22 1qck h ARG 8 Ca 0.01 -0.23 -0.14 0.00 0.07 0.00 0.00 59.98 59.69 1qck h ARG 8 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1qck h ARG 8 CO -0.03 0.79 -0.26 -0.44 -1.07 0.00 0.00 179.97 178.96 1qck h ASP 9 N 0.38 1.02 -0.10 7.04 3.32 -0.60 -1.86 116.42 125.62 1qck h ASP 9 Ca 0.03 -0.41 -0.00 0.00 0.02 0.00 0.00 57.03 56.68 1qck h ASP 9 Cb 0.88 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 1qck h ASP 9 CO 0.07 1.21 0.05 0.15 -1.72 0.00 0.00 179.24 179.00 1qck h PHE 10 N 0.84 0.13 -0.12 4.55 3.04 -0.47 -2.12 116.94 122.79 1qck h PHE 10 Ca 0.10 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.05 1qck h PHE 10 Cb 0.84 -0.04 0.00 0.00 2.56 0.00 0.00 35.95 39.31 1qck h PHE 10 CO 0.05 0.16 0.00 1.33 -2.02 0.00 0.00 178.31 177.83 1qck n VAL 11 N -4.98 0.18 0.46 1.41 0.24 -1.08 -3.37 118.33 111.20 1qck n VAL 11 Ca -0.05 -0.17 0.10 0.00 -2.04 0.00 0.00 64.34 62.18 1qck n VAL 11 Cb 0.07 0.04 -0.13 0.00 -1.47 0.00 0.00 33.84 32.34 1qck n VAL 11 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qck n ALA 12 N -0.13 3.65 -3.21 2.33 0.00 -0.70 -4.95 120.51 117.49 1qck n ALA 12 Ca 0.04 -0.51 -0.13 0.00 0.00 0.00 0.00 53.44 52.83 1qck n ALA 12 Cb 0.12 -0.70 -0.07 0.00 0.00 0.00 0.00 19.45 18.81 1qck n ALA 12 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1qck s GLU 13 N -3.11 0.84 0.68 0.00 -1.05 -1.19 -5.07 118.70 109.79 1qck s GLU 13 Ca 0.00 -0.25 -0.15 0.00 -0.15 0.00 0.00 54.97 54.42 1qck s GLU 13 Cb 0.14 0.38 -0.13 0.00 -0.44 0.00 0.00 34.13 34.07 1qck s GLU 13 CO 0.82 -0.27 -0.44 -2.30 0.95 0.00 0.00 175.26 174.01 1qck n PRO 14 N 0.81 0.00 0.02 -4.83 -0.02 -1.26 -4.83 135.00 124.89 1qck n PRO 14 Ca -0.20 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.30 1qck n PRO 14 Cb 0.58 -0.87 -0.09 0.00 -0.02 0.00 0.00 33.50 33.10 1qck n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qck n MET 15 N 1.79 0.63 0.00 -0.52 0.00 -1.26 -5.02 117.12 112.75 1qck n MET 15 Ca 0.02 0.13 0.00 0.00 0.00 0.00 0.00 57.70 57.85 1qck n MET 15 Cb 0.45 -1.74 0.00 0.00 0.00 0.00 0.00 33.22 31.93 1qck n MET 15 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1qck n GLY 16 N 1.39 2.72 2.28 3.17 0.00 -1.26 -2.54 105.19 110.95 1qck n GLY 16 Ca -0.10 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 1qck n GLY 16 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1qck n GLU 17 N 14.00 3.23 -1.75 1.61 1.02 -1.26 -4.72 120.64 132.78 1qck n GLU 17 Ca 0.00 -3.91 -0.38 0.00 -0.02 0.00 0.00 57.16 52.86 1qck n GLU 17 Cb 0.00 -2.28 0.06 0.00 -0.02 0.00 0.00 31.44 29.20 1qck n GLU 17 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1qck s LYS 18 N -3.71 2.84 0.88 3.49 1.02 -1.05 -4.79 119.74 118.41 1qck s LYS 18 Ca 0.55 2.17 -0.10 0.00 0.02 0.00 0.00 55.97 58.61 1qck s LYS 18 Cb 0.44 -2.06 0.13 0.00 -0.52 0.00 0.00 37.83 35.82 1qck s LYS 18 CO -0.06 -1.41 1.14 -1.25 -0.92 0.00 0.00 175.35 172.85 1qck s PRO 19 N -3.14 1.30 0.28 -1.68 0.04 -1.26 -1.75 135.00 128.78 1qck s PRO 19 Ca 0.77 1.48 -0.02 0.00 0.04 0.00 0.00 61.00 63.28 1qck s PRO 19 Cb -0.40 -1.76 0.44 0.00 0.04 0.00 0.00 34.50 32.82 1qck s PRO 19 CO 0.44 -2.41 1.90 -0.24 0.04 0.00 0.00 177.00 176.73 1qck h VAL 20 N -1.68 1.10 0.00 -0.36 3.04 -1.77 -1.16 116.25 115.41 1qck h VAL 20 Ca -0.43 -0.39 0.00 0.00 -1.01 0.00 0.00 66.70 64.87 1qck h VAL 20 Cb 1.26 -0.14 0.00 0.00 -2.01 0.00 0.00 31.29 30.40 1qck h VAL 20 CO 0.44 0.21 0.00 0.61 -1.01 0.00 0.00 177.57 177.81 1qck n GLY 21 N -1.38 -0.58 0.17 3.17 0.00 -1.26 -2.19 105.19 103.12 1qck n GLY 21 Ca 0.14 -0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.20 1qck n GLY 21 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1qck h SER 22 N 0.00 0.00 -3.50 1.61 0.02 -1.47 -3.44 113.55 106.76 1qck h SER 22 Ca 0.00 0.00 -0.53 0.00 -0.84 0.00 0.00 61.79 60.42 1qck h SER 22 Cb 0.07 0.00 0.07 0.00 0.14 0.00 0.00 62.40 62.68 1qck h SER 22 CO 0.00 0.09 0.77 -0.76 -1.14 0.00 0.00 176.83 175.79 1qck s LEU 23 N -5.94 4.38 0.28 5.07 1.43 -0.93 -4.92 118.68 118.05 1qck s LEU 23 Ca 0.04 2.76 -0.30 0.00 -1.03 0.00 0.00 54.13 55.60 1qck s LEU 23 Cb 0.07 -3.63 -0.10 0.00 0.03 0.00 0.00 46.19 42.55 1qck s LEU 23 CO 0.73 -0.74 1.47 0.00 0.23 0.00 0.00 176.35 178.04 1qck s ALA 24 N -0.29 3.64 0.00 4.21 0.00 -1.26 -1.82 121.76 126.23 1qck s ALA 24 Ca 0.58 1.41 0.00 0.00 0.00 0.00 0.00 51.96 53.94 1qck s ALA 24 Cb -0.43 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.11 1qck s ALA 24 CO 0.48 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.82 1qck n GLY 25 N 1.85 2.89 3.53 0.00 0.00 -1.26 -3.44 105.19 108.75 1qck n GLY 25 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 1qck n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qck s ILE 26 N -2.50 5.22 0.67 -0.61 -1.09 -0.76 -4.86 121.20 117.27 1qck s ILE 26 Ca 0.00 -0.13 -0.00 0.00 -2.23 0.00 0.00 60.65 58.29 1qck s ILE 26 Cb 0.00 -3.79 0.10 0.00 -1.58 0.00 0.00 42.46 37.18 1qck s ILE 26 CO 0.00 -0.08 0.92 -0.83 -1.23 0.00 0.00 174.94 173.72 1qck s GLY 27 N 1.73 1.78 0.26 6.18 0.00 -1.26 -4.66 107.32 111.34 1qck s GLY 27 Ca 0.09 -1.59 -0.05 0.00 0.00 0.00 0.00 44.72 43.17 1qck s GLY 27 CO 0.11 -1.12 1.91 0.83 0.00 0.00 0.00 173.10 174.83 1qck h GLU 28 N -0.33 1.25 -0.15 2.90 5.08 -1.98 0.53 114.58 121.88 1qck h GLU 28 Ca -0.38 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 57.88 1qck h GLU 28 Cb 1.28 -0.28 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1qck h GLU 28 CO 0.45 0.83 0.02 0.28 -1.00 0.00 0.00 179.01 179.58 1qck h VAL 29 N 1.29 1.23 -0.54 3.13 2.07 -2.00 -2.00 116.25 119.43 1qck h VAL 29 Ca 0.40 -0.74 -0.09 0.00 0.82 0.00 0.00 66.70 67.09 1qck h VAL 29 Cb -0.02 1.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.15 1qck h VAL 29 CO -0.12 0.22 -0.02 -0.07 0.02 0.00 0.00 177.57 177.60 1qck h LEU 30 N 0.03 0.91 -1.09 2.57 3.38 -1.80 -2.70 115.31 116.62 1qck h LEU 30 Ca 0.05 -0.25 0.01 0.00 0.09 0.00 0.00 57.88 57.77 1qck h LEU 30 Cb 0.32 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 1qck h LEU 30 CO 0.00 0.98 0.62 1.23 0.09 0.00 0.00 178.44 181.36 1qck h GLY 31 N 0.99 1.31 1.08 0.83 0.00 0.21 -2.36 103.07 105.12 1qck h GLY 31 Ca 0.15 -0.49 -0.05 0.00 0.00 0.00 0.00 47.33 46.95 1qck h GLY 31 CO 0.03 0.48 0.28 0.50 0.00 0.00 0.00 176.54 177.82 1qck h LYS 32 N 1.26 1.17 -0.38 4.80 1.79 -1.03 -1.41 116.57 122.76 1qck h LYS 32 Ca 0.34 -0.23 -0.08 0.00 -2.18 0.00 0.00 60.65 58.51 1qck h LYS 32 Cb -0.14 -0.18 -0.01 0.00 -1.58 0.00 0.00 32.23 30.32 1qck h LYS 32 CO -0.08 0.96 -0.08 0.87 -1.08 0.00 0.00 179.45 180.05 1qck h LYS 33 N 1.13 0.73 -0.87 3.15 1.57 -1.33 -2.06 116.57 118.89 1qck h LYS 33 Ca 0.25 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1qck h LYS 33 Cb 0.25 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.48 1qck h LYS 33 CO -0.02 0.86 0.45 -0.07 -0.57 0.00 0.00 179.45 180.11 1qck h LEU 34 N 0.54 1.11 -0.80 2.94 3.38 -1.33 -2.52 115.31 118.63 1qck h LEU 34 Ca 0.10 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.96 1qck h LEU 34 Cb 0.59 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1qck h LEU 34 CO 0.03 0.91 0.53 -0.08 0.09 0.00 0.00 178.44 179.93 1qck h GLU 35 N 1.23 1.05 0.00 1.13 4.81 -0.96 -0.87 114.58 120.97 1qck h GLU 35 Ca 0.30 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1qck h GLU 35 Cb 0.07 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 1qck h GLU 35 CO -0.04 0.69 -0.01 0.93 -0.73 0.00 0.00 179.01 179.85 1qck h GLU 36 N 1.08 0.00 -0.43 1.92 4.39 -0.94 -1.22 114.58 119.37 1qck h GLU 36 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 1qck h GLU 36 Cb -0.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.53 1qck h GLU 36 CO -0.07 0.01 0.00 0.54 -1.16 0.00 0.00 179.01 178.34 1qck n ARG 37 N -3.14 2.13 0.00 2.33 1.74 -0.41 -4.90 116.66 114.41 1qck n ARG 37 Ca -0.01 -1.74 0.00 0.00 -0.77 0.00 0.00 57.85 55.32 1qck n ARG 37 Cb 0.18 -1.41 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1qck n ARG 37 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qck n GLY 38 N 1.30 0.92 2.97 -0.13 0.00 -0.46 -5.02 105.19 104.75 1qck n GLY 38 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 1qck n GLY 38 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1qck n PHE 39 N -1.92 3.36 1.07 1.61 3.01 -0.75 -4.81 117.46 119.03 1qck n PHE 39 Ca 0.00 -3.37 0.13 0.00 1.01 0.00 0.00 57.45 55.22 1qck n PHE 39 Cb 0.00 -1.18 0.61 0.00 -0.01 0.00 0.00 39.48 38.91 1qck n PHE 39 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1qck n ASP 40 N 1.62 0.00 -4.12 4.37 5.75 -1.26 -3.50 116.55 119.42 1qck n ASP 40 Ca 0.26 0.23 -0.10 0.00 -0.01 0.00 0.00 54.79 55.17 1qck n ASP 40 Cb 0.36 -0.40 -0.10 0.00 -1.03 0.00 0.00 41.12 39.94 1qck n ASP 40 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1qck s LYS 41 N -2.81 0.68 0.18 0.11 1.02 -1.26 -4.03 119.74 113.63 1qck s LYS 41 Ca 0.18 -1.14 -0.09 0.00 0.02 0.00 0.00 55.97 54.94 1qck s LYS 41 Cb 0.18 -0.10 0.06 0.00 -0.52 0.00 0.00 37.83 37.45 1qck s LYS 41 CO 0.45 -0.03 1.64 0.00 -0.92 0.00 0.00 175.35 176.49 1qck h ALA 42 N 3.43 0.82 0.00 5.17 0.00 -1.45 -2.84 119.26 124.38 1qck h ALA 42 Ca -0.35 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.25 1qck h ALA 42 Cb 1.17 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1qck h ALA 42 CO 0.59 0.67 0.00 0.10 0.00 0.00 0.00 179.25 180.60 1qck h TYR 43 N 0.98 0.00 0.02 0.00 -0.00 -1.84 0.24 116.97 116.36 1qck h TYR 43 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 58.73 58.68 1qck h TYR 43 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.28 1qck h TYR 43 CO 0.04 0.00 -1.05 0.28 -0.00 0.00 0.00 178.16 177.43 1qck h VAL 44 N 0.00 1.67 0.14 -0.90 2.07 -1.90 -2.69 116.25 114.64 1qck h VAL 44 Ca 0.00 -3.36 -0.30 0.00 0.82 0.00 0.00 66.70 63.86 1qck h VAL 44 Cb 0.03 2.85 0.03 0.00 -1.52 0.00 0.00 31.29 32.68 1qck h VAL 44 CO 0.00 0.96 -1.27 0.58 0.02 0.00 0.00 177.57 177.85 1qck h VAL 45 N 0.01 1.30 -0.68 2.57 2.07 -0.70 -3.04 116.25 117.79 1qck h VAL 45 Ca -0.03 -2.55 0.04 0.00 0.82 0.00 0.00 66.70 64.97 1qck h VAL 45 Cb 1.80 2.76 -0.04 0.00 -1.52 0.00 0.00 31.29 34.29 1qck h VAL 45 CO 0.14 0.77 0.45 0.25 0.02 0.00 0.00 177.57 179.20 1qck h LEU 46 N 0.24 0.70 -0.69 2.57 5.85 -0.80 -1.10 115.31 122.07 1qck h LEU 46 Ca -0.19 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.57 1qck h LEU 46 Cb 1.95 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.77 1qck h LEU 46 CO 0.24 0.48 0.41 1.23 -0.34 0.00 0.00 178.44 180.45 1qck h GLY 47 N 0.81 1.02 1.01 3.75 0.00 -1.36 -1.76 103.07 106.53 1qck h GLY 47 Ca 0.27 -0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.32 1qck h GLY 47 CO -0.08 0.20 0.52 -1.61 0.00 0.00 0.00 176.54 175.57 1qck h GLN 48 N 0.76 1.05 -1.00 4.80 5.75 -1.14 0.11 115.11 125.44 1qck h GLN 48 Ca 0.30 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.74 1qck h GLN 48 Cb 0.14 -0.23 -0.05 0.00 1.07 0.00 0.00 27.48 28.41 1qck h GLN 48 CO -0.16 0.71 0.66 0.35 -2.65 0.00 0.00 178.83 177.73 1qck h PHE 49 N 1.08 1.26 -0.41 3.99 3.57 -1.16 -1.15 116.94 124.12 1qck h PHE 49 Ca 0.29 0.03 -0.15 0.00 3.53 0.00 0.00 57.97 61.67 1qck h PHE 49 Cb -0.11 -0.43 -0.01 0.00 2.79 0.00 0.00 35.95 38.20 1qck h PHE 49 CO -0.01 0.80 -0.32 -0.07 -2.23 0.00 0.00 178.31 176.48 1qck h LEU 50 N 1.36 0.98 -1.64 0.59 3.38 -0.50 -2.82 115.31 116.67 1qck h LEU 50 Ca 0.37 -0.42 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 1qck h LEU 50 Cb -0.15 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.33 1qck h LEU 50 CO -0.08 1.21 -0.12 0.58 0.09 0.00 0.00 178.44 180.12 1qck h VAL 51 N 0.78 0.40 -0.33 1.22 2.07 -0.02 -2.56 116.25 117.81 1qck h VAL 51 Ca 0.08 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.91 1qck h VAL 51 Cb 0.90 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1qck h VAL 51 CO 0.08 0.12 0.00 0.18 0.02 0.00 0.00 177.57 177.97 1qck n LEU 52 N -3.40 3.07 -2.40 2.57 4.77 -0.51 -4.87 117.00 116.22 1qck n LEU 52 Ca -0.01 -1.55 -0.13 0.00 -0.03 0.00 0.00 56.01 54.29 1qck n LEU 52 Cb 0.30 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 40.89 1qck n LEU 52 CO 0.30 0.47 -0.17 0.29 -1.33 0.00 0.00 177.39 176.95 1qck n LYS 53 N 0.43 -2.14 -1.60 3.23 5.02 -0.96 -0.36 118.16 121.78 1qck n LYS 53 Ca 0.14 0.65 -0.21 0.00 -2.02 0.00 0.00 58.31 56.88 1qck n LYS 53 Cb 0.62 -5.25 -0.09 0.00 -0.02 0.00 0.00 35.03 30.30 1qck n LYS 53 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1qck n LYS 54 N -2.80 -1.47 -2.02 1.97 5.02 -1.08 -4.89 118.16 112.89 1qck n LYS 54 Ca -0.16 1.22 -0.43 0.00 -2.02 0.00 0.00 58.31 56.93 1qck n LYS 54 Cb 0.61 -5.61 -0.03 0.00 -0.02 0.00 0.00 35.03 29.98 1qck n LYS 54 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1qck s ASP 55 N -2.76 6.37 0.22 4.39 -1.08 0.51 -4.87 116.67 119.45 1qck s ASP 55 Ca 0.00 1.85 -0.07 0.00 -0.52 0.00 0.00 52.55 53.81 1qck s ASP 55 Cb 0.00 -2.53 0.19 0.00 -1.46 0.00 0.00 42.92 39.12 1qck s ASP 55 CO 0.00 -1.23 1.82 -0.08 0.52 0.00 0.00 175.17 176.20 1qck h GLU 56 N 10.82 1.23 -0.38 4.34 4.81 -1.90 -0.99 114.58 132.51 1qck h GLU 56 Ca -0.37 -0.18 -0.16 0.00 -0.13 0.00 0.00 59.36 58.52 1qck h GLU 56 Cb 1.17 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.32 1qck h GLU 56 CO 0.98 0.95 -0.39 -0.44 -0.73 0.00 0.00 179.01 179.38 1qck h ASP 57 N 1.22 0.99 -0.32 1.04 3.32 -1.99 -0.53 116.42 120.15 1qck h ASP 57 Ca 0.29 -0.45 -0.18 0.00 0.02 0.00 0.00 57.03 56.71 1qck h ASP 57 Cb 0.12 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 1qck h ASP 57 CO -0.04 1.25 -0.50 -0.07 -1.72 0.00 0.00 179.24 178.16 1qck h LEU 58 N 0.75 0.99 -0.01 1.55 3.38 -1.92 -0.60 115.31 119.46 1qck h LEU 58 Ca 0.06 -0.52 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 1qck h LEU 58 Cb 0.98 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 1qck h LEU 58 CO 0.10 1.31 0.00 0.15 0.09 0.00 0.00 178.44 180.09 1qck h PHE 59 N 0.70 0.02 -0.42 1.13 3.57 -1.12 0.28 116.94 121.09 1qck h PHE 59 Ca 0.03 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1qck h PHE 59 Cb 1.11 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1qck h PHE 59 CO 0.07 0.24 0.22 0.00 -2.23 0.00 0.00 178.31 176.62 1qck h ARG 60 N -0.21 0.59 -0.69 1.11 3.08 -1.09 0.29 114.38 117.46 1qck h ARG 60 Ca 0.00 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 1qck h ARG 60 Cb 0.23 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.14 1qck h ARG 60 CO 0.00 0.48 0.18 1.49 -1.07 0.00 0.00 179.97 181.06 1qck h GLU 61 N 0.54 1.08 -0.16 0.04 4.81 -1.02 0.14 114.58 120.01 1qck h GLU 61 Ca 0.15 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1qck h GLU 61 Cb 0.07 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.29 1qck h GLU 61 CO -0.02 0.94 -0.02 2.35 -0.73 0.00 0.00 179.01 181.53 1qck h TRP 62 N 1.03 0.33 -0.05 0.92 7.01 0.11 0.26 115.95 125.56 1qck h TRP 62 Ca 0.22 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 61.15 1qck h TRP 62 Cb 0.34 -0.08 -0.00 0.00 -2.10 0.00 0.00 29.16 27.31 1qck h TRP 62 CO 0.03 0.55 0.00 1.25 -2.79 0.00 0.00 178.44 177.47 1qck h LEU 63 N 0.02 0.09 -0.09 0.65 5.85 -0.26 0.56 115.31 122.14 1qck h LEU 63 Ca 0.04 -0.31 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1qck h LEU 63 Cb 0.43 -0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 1qck h LEU 63 CO 0.01 0.37 0.05 0.50 -0.34 0.00 0.00 178.44 179.03 1qck h LYS 64 N -0.20 0.12 0.00 1.25 3.64 -0.74 -0.48 116.57 120.16 1qck h LYS 64 Ca 0.02 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.32 1qck h LYS 64 Cb 0.33 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 1qck h LYS 64 CO 0.00 0.16 -0.27 0.22 -2.27 0.00 0.00 179.45 177.28 1qck h ASP 65 N 0.05 0.00 0.66 4.20 1.82 -0.44 0.61 116.42 123.31 1qck h ASP 65 Ca 0.03 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 56.42 1qck h ASP 65 Cb 0.07 0.00 -0.00 0.00 0.68 0.00 0.00 39.33 40.08 1qck h ASP 65 CO -0.01 0.27 -1.15 0.74 -1.61 0.00 0.00 179.24 177.49 1qck h THR 66 N 0.00 1.52 0.00 2.25 2.02 0.70 -3.42 112.91 115.99 1qck h THR 66 Ca -0.00 -3.03 0.00 0.00 0.77 0.00 0.00 66.41 64.15 1qck h THR 66 Cb 0.66 2.85 0.00 0.00 -1.74 0.00 0.00 68.15 69.92 1qck h THR 66 CO 0.04 0.88 -0.28 0.00 0.37 0.00 0.00 175.52 176.53 1qck n GLY 68 N 0.78 1.07 3.44 0.00 0.00 0.21 -5.04 105.19 105.64 1qck n GLY 68 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1qck n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qck n ALA 69 N -1.78 -1.75 -1.95 4.61 0.00 -1.25 -4.96 120.51 113.43 1qck n ALA 69 Ca 0.00 -0.24 -0.24 0.00 0.00 0.00 0.00 53.44 52.95 1qck n ALA 69 Cb 0.00 -1.80 0.06 0.00 0.00 0.00 0.00 19.45 17.71 1qck n ALA 69 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1qck s ASN 70 N -1.43 4.97 0.43 0.00 -0.87 -1.26 -4.64 114.94 112.14 1qck s ASN 70 Ca 0.64 0.33 0.09 0.00 -1.57 0.00 0.00 52.86 52.35 1qck s ASN 70 Cb -0.35 -1.06 0.94 0.00 -0.02 0.00 0.00 41.25 40.76 1qck s ASN 70 CO 0.59 -1.45 2.07 0.00 -2.57 0.00 0.00 177.10 175.75 1qck h ALA 71 N -0.39 1.76 -0.18 0.60 0.00 -2.00 -1.78 119.26 117.27 1qck h ALA 71 Ca -0.44 -0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.23 1qck h ALA 71 Cb 1.31 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.98 1qck h ALA 71 CO 0.58 0.22 -0.72 1.57 0.00 0.00 0.00 179.25 180.90 1qck h LYS 72 N 0.42 0.79 -0.46 0.00 2.10 -2.01 -2.99 116.57 114.42 1qck h LYS 72 Ca 0.11 -0.61 -0.08 0.00 -2.00 0.00 0.00 60.65 58.07 1qck h LYS 72 Cb -0.03 0.11 -0.02 0.00 -0.90 0.00 0.00 32.23 31.40 1qck h LYS 72 CO -0.02 1.22 -0.04 1.96 -2.00 0.00 0.00 179.45 180.57 1qck h GLN 73 N 0.56 0.79 -0.37 0.07 4.20 -1.75 -2.80 115.11 115.80 1qck h GLN 73 Ca -0.04 -0.23 -0.10 0.00 0.06 0.00 0.00 58.65 58.35 1qck h GLN 73 Cb 1.34 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.02 1qck h GLN 73 CO 0.15 0.82 -0.18 0.66 -0.67 0.00 0.00 178.83 179.61 1qck h SER 74 N 0.73 0.70 -0.91 1.46 4.64 -1.34 -2.76 113.55 116.07 1qck h SER 74 Ca 0.14 -0.23 0.01 0.00 -0.47 0.00 0.00 61.79 61.24 1qck h SER 74 Cb 0.50 -0.19 -0.04 0.00 -0.31 0.00 0.00 62.40 62.36 1qck h SER 74 CO 0.03 0.88 0.59 0.03 -0.87 0.00 0.00 176.83 177.49 1qck h ARG 75 N 0.62 1.20 -0.46 4.77 2.47 -1.34 -1.88 114.38 119.76 1qck h ARG 75 Ca 0.10 -0.08 -0.14 0.00 -1.26 0.00 0.00 59.98 58.60 1qck h ARG 75 Cb 0.65 -0.27 -0.01 0.00 -1.65 0.00 0.00 29.97 28.69 1qck h ARG 75 CO 0.05 0.80 -0.24 -0.44 0.56 0.00 0.00 179.97 180.69 1qck h ASP 76 N 1.23 1.00 -0.48 7.04 3.32 -1.42 -2.97 116.42 124.14 1qck h ASP 76 Ca 0.33 -0.39 -0.13 0.00 0.02 0.00 0.00 57.03 56.86 1qck h ASP 76 Cb -0.13 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.13 1qck h ASP 76 CO -0.07 1.18 -0.22 0.00 -1.72 0.00 0.00 179.24 178.42 1qck h PHE 78 N 0.86 -1.22 -0.30 0.00 3.57 -1.30 0.22 116.94 118.77 1qck h PHE 78 Ca 0.11 -0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 1qck h PHE 78 Cb 0.80 0.41 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 1qck h PHE 78 CO 0.05 -0.74 0.17 0.78 -2.23 0.00 0.00 178.31 176.34 1qck h GLY 79 N -1.28 0.42 0.48 2.40 0.00 -1.57 0.55 103.07 104.07 1qck h GLY 79 Ca -0.13 -0.17 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 1qck h GLY 79 CO 0.20 0.16 -0.02 0.00 0.00 0.00 0.00 176.54 176.87 1qck h LEU 81 N -0.59 0.96 -0.80 0.00 3.38 -0.36 -2.20 115.31 115.70 1qck h LEU 81 Ca -0.01 -0.50 -0.02 0.00 0.09 0.00 0.00 57.88 57.44 1qck h LEU 81 Cb 0.52 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1qck h LEU 81 CO 0.01 1.27 0.43 -0.09 0.09 0.00 0.00 178.44 180.15 1qck h ARG 82 N 0.68 1.12 -0.33 1.13 1.12 0.07 -2.13 114.38 116.05 1qck h ARG 82 Ca 0.04 -0.14 -0.15 0.00 -1.11 0.00 0.00 59.98 58.61 1qck h ARG 82 Cb 1.06 -0.22 -0.01 0.00 -0.01 0.00 0.00 29.97 30.79 1qck h ARG 82 CO 0.11 0.84 -0.40 0.93 -3.11 0.00 0.00 179.97 178.34 1qck h GLU 83 N 1.12 0.80 -0.65 0.20 4.39 -0.71 -2.20 114.58 117.52 1qck h GLU 83 Ca 0.28 -0.42 0.01 0.00 0.34 0.00 0.00 59.36 59.57 1qck h GLU 83 Cb 0.05 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 1qck h GLU 83 CO -0.04 1.05 0.43 2.35 -1.16 0.00 0.00 179.01 181.64 1qck h TRP 84 N 0.65 0.82 -0.98 4.33 7.01 -1.10 -1.75 115.95 124.95 1qck h TRP 84 Ca 0.05 0.02 0.01 0.00 2.11 0.00 0.00 58.89 61.08 1qck h TRP 84 Cb 0.96 -0.28 -0.05 0.00 -2.10 0.00 0.00 29.16 27.69 1qck h TRP 84 CO 0.05 0.52 0.64 0.00 -2.79 0.00 0.00 178.44 176.87 1qck h ASP 86 N 1.33 0.39 0.25 0.00 3.32 -0.69 2.32 116.42 123.34 1qck h ASP 86 Ca 0.36 -0.01 -0.34 0.00 0.02 0.00 0.00 57.03 57.06 1qck h ASP 86 Cb -0.14 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.26 1qck h ASP 86 CO -0.08 0.29 -1.99 0.00 -1.72 0.00 0.00 179.24 175.74 1qck n ALA 87 N -2.49 1.31 0.34 3.45 0.00 -0.54 -4.43 120.51 118.15 1qck n ALA 87 Ca 0.02 -0.85 0.06 0.00 0.00 0.00 0.00 53.44 52.67 1qck n ALA 87 Cb 0.06 -0.61 0.07 0.00 0.00 0.00 0.00 19.45 18.97 1qck n ALA 87 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1qck n PHE 88 N -3.15 0.09 -1.18 0.00 3.72 0.19 -5.11 117.46 112.02 1qck n PHE 88 Ca -0.27 -0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.03 1qck n PHE 88 Cb 1.06 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.60 1qck n PHE 88 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60