#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qck n THR 2 N 0.00 0.00 -1.90 3.17 -1.04 -1.26 -4.86 114.28 108.39 1qck n THR 2 Ca 0.00 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.72 1qck n THR 2 Cb 0.00 0.00 0.09 0.00 -1.82 0.00 0.00 70.33 68.60 1qck n THR 2 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1qck s THR 3 N 0.00 2.07 0.89 12.58 -4.23 -1.26 -5.05 115.64 120.64 1qck s THR 3 Ca 0.00 0.02 -0.12 0.00 -1.18 0.00 0.00 61.69 60.41 1qck s THR 3 Cb 0.00 -3.02 0.13 0.00 1.34 0.00 0.00 72.50 70.95 1qck s THR 3 CO 0.00 -0.03 1.15 -0.44 -0.54 0.00 0.00 174.62 174.76 1qck s SER 4 N -4.57 3.67 0.52 3.99 0.01 -1.26 -4.90 113.70 111.15 1qck s SER 4 Ca 0.62 0.93 0.16 0.00 1.31 0.00 0.00 55.95 58.97 1qck s SER 4 Cb -0.11 -1.49 1.26 0.00 0.21 0.00 0.00 66.02 65.89 1qck s SER 4 CO 0.49 -2.45 2.14 -0.61 0.41 0.00 0.00 173.24 173.22 1qck h GLN 5 N -1.43 0.02 -0.37 12.44 4.15 -2.01 -1.50 115.11 126.41 1qck h GLN 5 Ca -0.50 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1qck h GLN 5 Cb 1.33 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.00 1qck h GLN 5 CO 0.62 0.01 0.24 0.87 -1.93 0.00 0.00 178.83 178.65 1qck h LYS 6 N 0.02 0.49 -0.13 1.69 1.57 -1.97 -1.11 116.57 117.13 1qck h LYS 6 Ca 0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1qck h LYS 6 Cb 0.03 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 1qck h LYS 6 CO -0.00 0.33 0.08 1.25 -0.57 0.00 0.00 179.45 180.54 1qck h HIS 7 N 0.50 0.16 -0.16 -1.35 2.76 -1.62 0.63 115.15 116.07 1qck h HIS 7 Ca 0.13 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.18 1qck h HIS 7 Cb -0.05 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 28.85 1qck h HIS 7 CO 0.00 0.10 -0.45 0.00 -1.30 0.00 0.00 177.93 176.27 1qck h ARG 8 N 0.17 0.38 -0.49 5.26 2.47 -1.53 -2.95 114.38 117.70 1qck h ARG 8 Ca 0.05 -0.20 -0.13 0.00 -1.26 0.00 0.00 59.98 58.43 1qck h ARG 8 Cb -0.02 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.30 1qck h ARG 8 CO -0.01 0.76 -0.21 -0.44 0.56 0.00 0.00 179.97 180.63 1qck h ASP 9 N 0.31 1.02 -0.24 7.04 3.32 -0.85 -2.10 116.42 124.92 1qck h ASP 9 Ca 0.02 -0.38 -0.01 0.00 0.02 0.00 0.00 57.03 56.68 1qck h ASP 9 Cb 0.92 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.18 1qck h ASP 9 CO 0.08 1.18 0.13 0.15 -1.72 0.00 0.00 179.24 179.06 1qck h PHE 10 N 0.86 0.34 -0.08 4.55 3.57 -0.77 -1.73 116.94 123.68 1qck h PHE 10 Ca 0.11 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1qck h PHE 10 Cb 0.79 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.42 1qck h PHE 10 CO 0.05 0.31 0.00 1.33 -2.23 0.00 0.00 178.31 177.77 1qck n VAL 11 N -4.85 0.11 0.30 1.41 0.24 -1.13 -3.36 118.33 111.06 1qck n VAL 11 Ca -0.03 -0.11 0.09 0.00 -2.04 0.00 0.00 64.34 62.25 1qck n VAL 11 Cb 0.08 0.05 -0.13 0.00 -1.47 0.00 0.00 33.84 32.38 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 -0.27 3.29 -3.36 2.33 0.00 -0.66 -4.96 120.51 116.88 1qck n ALA 12 Ca 0.03 -0.47 -0.15 0.00 0.00 0.00 0.00 53.44 52.85 1qck n ALA 12 Cb 0.07 -0.65 -0.06 0.00 0.00 0.00 0.00 19.45 18.82 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 -3.08 1.00 0.91 0.00 -1.05 -1.16 -5.07 118.70 110.24 1qck s GLU 13 Ca -0.02 -0.09 -0.17 0.00 -0.15 0.00 0.00 54.97 54.54 1qck s GLU 13 Cb 0.13 0.46 -0.15 0.00 -0.44 0.00 0.00 34.13 34.13 1qck s GLU 13 CO 0.76 -0.34 -0.66 -2.30 0.95 0.00 0.00 175.26 173.68 1qck n PRO 14 N 0.65 -0.00 0.04 -4.83 -0.02 -1.26 -4.81 135.00 124.77 1qck n PRO 14 Ca -0.19 0.00 0.02 0.00 -2.02 0.00 0.00 63.50 61.31 1qck n PRO 14 Cb 0.59 -1.02 -0.07 0.00 -0.02 0.00 0.00 33.50 32.98 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 2.22 0.62 0.00 -0.52 0.00 -1.26 -5.01 117.12 113.16 1qck n MET 15 Ca 0.00 0.20 0.00 0.00 0.00 0.00 0.00 57.70 57.90 1qck n MET 15 Cb 0.54 -1.80 0.00 0.00 0.00 0.00 0.00 33.22 31.96 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 1.36 2.84 1.82 3.17 0.00 -1.26 -2.36 105.19 110.76 1qck n GLY 16 Ca -0.08 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 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 2.32 -1.78 1.61 1.02 -1.26 -4.83 120.64 131.72 1qck n GLU 17 Ca 0.00 -3.07 -0.37 0.00 -0.02 0.00 0.00 57.16 53.69 1qck n GLU 17 Cb 0.00 -2.06 0.05 0.00 -0.02 0.00 0.00 31.44 29.42 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 -3.23 2.83 0.91 3.49 1.02 -1.00 -4.93 119.74 118.84 1qck s LYS 18 Ca 0.52 2.12 -0.11 0.00 0.02 0.00 0.00 55.97 58.53 1qck s LYS 18 Cb 0.45 -2.03 0.14 0.00 -0.52 0.00 0.00 37.83 35.87 1qck s LYS 18 CO 0.08 -1.40 1.10 -1.25 -0.92 0.00 0.00 175.35 172.95 1qck s PRO 19 N -3.17 1.09 0.15 -1.68 0.04 -1.26 -3.50 135.00 126.67 1qck s PRO 19 Ca 0.78 1.08 -0.17 0.00 0.04 0.00 0.00 61.00 62.73 1qck s PRO 19 Cb -0.38 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 32.41 1qck s PRO 19 CO 0.43 -2.43 1.77 -0.24 0.04 0.00 0.00 177.00 176.57 1qck h VAL 20 N -1.70 0.97 0.00 -0.36 3.04 -1.79 -1.26 116.25 115.15 1qck h VAL 20 Ca -0.48 -0.11 0.00 0.00 -1.01 0.00 0.00 66.70 65.09 1qck h VAL 20 Cb 1.28 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 31.17 1qck h VAL 20 CO 0.50 0.06 0.06 0.61 -1.01 0.00 0.00 177.57 177.79 1qck n GLY 21 N -1.20 -0.11 0.13 3.17 0.00 -1.26 -0.37 105.19 105.55 1qck n GLY 21 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1qck n GLY 21 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qck h SER 22 N 0.00 0.00 -3.67 1.61 4.64 -1.48 -3.44 113.55 111.21 1qck h SER 22 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 1qck h SER 22 Cb 0.11 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.30 1qck h SER 22 CO 0.00 0.53 0.83 -0.76 -0.87 0.00 0.00 176.83 176.56 1qck s LEU 23 N -6.31 4.33 0.26 5.97 1.43 0.51 -4.91 118.68 119.96 1qck s LEU 23 Ca 0.02 3.01 -0.30 0.00 -1.03 0.00 0.00 54.13 55.83 1qck s LEU 23 Cb 0.08 -3.65 -0.10 0.00 0.03 0.00 0.00 46.19 42.54 1qck s LEU 23 CO 0.76 -0.89 1.45 0.00 0.23 0.00 0.00 176.35 177.90 1qck s ALA 24 N -0.62 3.63 0.00 4.21 0.00 -1.26 -1.99 121.76 125.73 1qck s ALA 24 Ca 0.57 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.88 1qck s ALA 24 Cb -0.47 -3.56 0.00 0.00 0.00 0.00 0.00 23.12 19.09 1qck s ALA 24 CO 0.56 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.97 1qck n GLY 25 N 2.11 3.41 3.50 0.00 0.00 -1.26 -3.38 105.19 109.57 1qck n GLY 25 Ca 0.06 0.00 -0.42 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 -2.69 5.25 0.76 -0.61 -1.09 -0.84 -4.82 121.20 117.15 1qck s ILE 26 Ca 0.00 -0.38 -0.03 0.00 -2.23 0.00 0.00 60.65 58.01 1qck s ILE 26 Cb 0.00 -3.83 0.14 0.00 -1.58 0.00 0.00 42.46 37.18 1qck s ILE 26 CO 0.00 -0.17 1.04 -0.83 -1.23 0.00 0.00 174.94 173.76 1qck s GLY 27 N 1.71 1.76 0.27 6.18 0.00 -1.26 -4.62 107.32 111.36 1qck s GLY 27 Ca 0.06 -1.65 -0.01 0.00 0.00 0.00 0.00 44.72 43.12 1qck s GLY 27 CO 0.11 -1.05 1.87 0.83 0.00 0.00 0.00 173.10 174.85 1qck h GLU 28 N -0.69 1.10 -0.32 2.90 5.08 -1.98 0.23 114.58 120.89 1qck h GLU 28 Ca -0.37 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 57.87 1qck h GLU 28 Cb 1.26 -0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 1qck h GLU 28 CO 0.40 0.73 0.02 0.28 -1.00 0.00 0.00 179.01 179.44 1qck h VAL 29 N 1.13 1.25 -0.42 3.13 2.07 -2.00 -2.53 116.25 118.88 1qck h VAL 29 Ca 0.45 -0.90 -0.09 0.00 0.82 0.00 0.00 66.70 66.98 1qck h VAL 29 Cb 0.25 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1qck h VAL 29 CO -0.20 0.29 -0.11 -0.07 0.02 0.00 0.00 177.57 177.51 1qck h LEU 30 N 0.37 0.74 -0.93 2.57 3.38 -1.70 -2.77 115.31 116.97 1qck h LEU 30 Ca 0.09 -0.22 0.01 0.00 0.09 0.00 0.00 57.88 57.86 1qck h LEU 30 Cb 0.40 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1qck h LEU 30 CO 0.01 0.87 0.61 1.23 0.09 0.00 0.00 178.44 181.26 1qck h GLY 31 N 0.97 1.31 1.35 0.83 0.00 -0.37 -1.72 103.07 105.44 1qck h GLY 31 Ca 0.12 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 1qck h GLY 31 CO 0.04 0.47 -0.01 0.50 0.00 0.00 0.00 176.54 177.54 1qck h LYS 32 N 1.25 0.79 -0.09 4.80 1.79 -1.18 0.16 116.57 124.09 1qck h LYS 32 Ca 0.34 -0.22 -0.02 0.00 -2.18 0.00 0.00 60.65 58.58 1qck h LYS 32 Cb -0.14 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.42 1qck h LYS 32 CO -0.08 0.80 -0.01 0.87 -1.08 0.00 0.00 179.45 179.96 1qck h LYS 33 N 0.73 0.16 -0.77 3.15 1.57 -1.17 -1.13 116.57 119.13 1qck h LYS 33 Ca 0.14 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1qck h LYS 33 Cb 0.47 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 1qck h LYS 33 CO 0.02 0.44 0.38 -0.07 -0.57 0.00 0.00 179.45 179.65 1qck h LEU 34 N -0.14 0.98 -0.79 2.94 3.38 -1.22 -2.08 115.31 118.38 1qck h LEU 34 Ca 0.02 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1qck h LEU 34 Cb 0.37 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1qck h LEU 34 CO 0.01 0.82 0.52 -0.08 0.09 0.00 0.00 178.44 179.79 1qck h GLU 35 N 1.08 1.04 0.00 1.13 4.81 -0.72 0.13 114.58 122.05 1qck h GLU 35 Ca 0.27 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1qck h GLU 35 Cb 0.09 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1qck h GLU 35 CO -0.04 0.69 0.00 1.49 -0.73 0.00 0.00 179.01 180.42 1qck h GLU 36 N 1.07 0.00 -0.12 1.92 4.81 -0.56 -1.23 114.58 120.47 1qck h GLU 36 Ca 0.29 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1qck h GLU 36 Cb -0.12 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.26 1qck h GLU 36 CO -0.06 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 178.76 1qck n ARG 37 N -3.00 1.72 0.00 1.92 5.12 0.33 -4.89 116.66 117.87 1qck n ARG 37 Ca -0.00 -1.07 0.00 0.00 -1.93 0.00 0.00 57.85 54.85 1qck n ARG 37 Cb 0.23 -1.43 0.00 0.00 -1.16 0.00 0.00 32.46 30.10 1qck n ARG 37 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qck n GLY 38 N 1.15 0.82 3.08 -0.13 0.00 -0.46 -5.03 105.19 104.62 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 -1.82 4.07 1.21 1.61 3.01 -0.49 -4.83 117.46 120.21 1qck n PHE 39 Ca 0.00 -3.77 0.14 0.00 1.01 0.00 0.00 57.45 54.83 1qck n PHE 39 Cb 0.00 -1.26 0.68 0.00 -0.01 0.00 0.00 39.48 38.89 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 2.06 0.00 -4.11 4.37 5.75 -1.26 -3.44 116.55 119.91 1qck n ASP 40 Ca 0.24 0.14 -0.09 0.00 -0.01 0.00 0.00 54.79 55.07 1qck n ASP 40 Cb 0.37 -0.38 -0.10 0.00 -1.03 0.00 0.00 41.12 39.98 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 -2.75 0.67 0.17 0.11 1.02 -1.26 -3.89 119.74 113.81 1qck s LYS 41 Ca 0.22 -1.19 -0.10 0.00 0.02 0.00 0.00 55.97 54.92 1qck s LYS 41 Cb 0.19 0.00 0.05 0.00 -0.52 0.00 0.00 37.83 37.55 1qck s LYS 41 CO 0.47 -0.06 1.62 0.00 -0.92 0.00 0.00 175.35 176.47 1qck h ALA 42 N 3.28 0.77 0.00 5.17 0.00 -1.71 -2.88 119.26 123.89 1qck h ALA 42 Ca -0.34 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.26 1qck h ALA 42 Cb 1.16 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1qck h ALA 42 CO 0.62 0.61 0.00 0.10 0.00 0.00 0.00 179.25 180.58 1qck h TYR 43 N 0.90 0.00 0.03 0.00 -0.00 -1.88 0.11 116.97 116.13 1qck h TYR 43 Ca 0.16 0.00 -0.22 0.00 0.00 0.00 0.00 58.73 58.67 1qck h TYR 43 Cb 0.56 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.27 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 0.08 -0.90 2.07 -1.91 -2.91 116.25 114.34 1qck h VAL 44 Ca 0.00 -3.35 -0.27 0.00 0.82 0.00 0.00 66.70 63.90 1qck h VAL 44 Cb 0.05 2.87 0.01 0.00 -1.52 0.00 0.00 31.29 32.70 1qck h VAL 44 CO 0.00 0.96 -1.13 0.58 0.02 0.00 0.00 177.57 178.00 1qck h VAL 45 N 0.02 1.37 -0.57 2.57 2.07 -0.91 -3.05 116.25 117.73 1qck h VAL 45 Ca -0.04 -2.57 0.01 0.00 0.82 0.00 0.00 66.70 64.92 1qck h VAL 45 Cb 1.81 2.64 -0.03 0.00 -1.52 0.00 0.00 31.29 34.19 1qck h VAL 45 CO 0.15 0.77 0.38 0.25 0.02 0.00 0.00 177.57 179.14 1qck h LEU 46 N 0.22 0.66 -0.99 2.57 5.85 -1.08 -1.00 115.31 121.54 1qck h LEU 46 Ca -0.14 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.58 1qck h LEU 46 Cb 1.80 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 42.62 1qck h LEU 46 CO 0.20 0.47 0.66 1.23 -0.34 0.00 0.00 178.44 180.66 1qck h GLY 47 N 0.77 1.39 1.01 3.75 0.00 -1.40 -1.78 103.07 106.80 1qck h GLY 47 Ca 0.21 -0.52 0.00 0.00 0.00 0.00 0.00 47.33 47.03 1qck h GLY 47 CO -0.05 0.51 0.44 -1.61 0.00 0.00 0.00 176.54 175.83 1qck h GLN 48 N 1.34 0.88 -0.85 4.80 5.75 -1.15 0.37 115.11 126.26 1qck h GLN 48 Ca 0.36 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.81 1qck h GLN 48 Cb -0.16 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 28.15 1qck h GLN 48 CO -0.08 0.59 0.56 0.35 -2.65 0.00 0.00 178.83 177.61 1qck h PHE 49 N 0.91 1.06 -0.38 3.99 3.57 -1.17 -0.91 116.94 124.02 1qck h PHE 49 Ca 0.24 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.61 1qck h PHE 49 Cb -0.09 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.28 1qck h PHE 49 CO -0.02 0.67 -0.40 -0.07 -2.23 0.00 0.00 178.31 176.25 1qck h LEU 50 N 1.15 1.00 -1.89 0.59 3.38 -0.53 -2.86 115.31 116.15 1qck h LEU 50 Ca 0.31 -0.47 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1qck h LEU 50 Cb -0.13 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.33 1qck h LEU 50 CO -0.07 1.27 -0.09 0.58 0.09 0.00 0.00 178.44 180.23 1qck h VAL 51 N 0.76 0.34 -0.38 1.22 2.07 0.36 -2.05 116.25 118.58 1qck h VAL 51 Ca 0.06 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1qck h VAL 51 Cb 1.00 1.38 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1qck h VAL 51 CO 0.10 0.08 0.00 0.18 0.02 0.00 0.00 177.57 177.95 1qck n LEU 52 N -3.39 3.43 -4.15 2.57 4.77 -0.41 -4.89 117.00 114.92 1qck n LEU 52 Ca -0.01 -1.73 -0.35 0.00 -0.03 0.00 0.00 56.01 53.88 1qck n LEU 52 Cb 0.25 -0.52 -0.02 0.00 -2.33 0.00 0.00 43.42 40.80 1qck n LEU 52 CO 0.28 0.51 0.01 0.29 -1.33 0.00 0.00 177.39 177.15 1qck n LYS 53 N 0.50 -3.66 -1.54 3.23 5.02 -0.77 0.70 118.16 121.63 1qck n LYS 53 Ca 0.16 0.42 -0.19 0.00 -2.02 0.00 0.00 58.31 56.68 1qck n LYS 53 Cb 0.69 -5.19 -0.08 0.00 -0.02 0.00 0.00 35.03 30.43 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 -4.44 -1.46 -1.97 1.97 5.02 -1.11 -4.87 118.16 111.29 1qck n LYS 54 Ca 0.07 1.13 -0.41 0.00 -2.02 0.00 0.00 58.31 57.08 1qck n LYS 54 Cb 0.50 -5.50 -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 -0.51 -0.52 0.00 0.00 177.40 176.37 1qck s ASP 55 N -2.63 5.63 0.20 4.39 1.01 0.22 -4.85 116.67 120.64 1qck s ASP 55 Ca 0.00 1.06 -0.09 0.00 0.71 0.00 0.00 52.55 54.23 1qck s ASP 55 Cb 0.00 -2.52 0.14 0.00 1.01 0.00 0.00 42.92 41.55 1qck s ASP 55 CO 0.00 -1.96 1.80 -0.08 0.21 0.00 0.00 175.17 175.14 1qck h GLU 56 N 13.89 1.08 -0.44 8.23 4.81 -1.89 0.17 114.58 140.43 1qck h GLU 56 Ca -0.31 -0.16 -0.15 0.00 -0.13 0.00 0.00 59.36 58.61 1qck h GLU 56 Cb 1.18 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 1qck h GLU 56 CO 1.09 0.84 -0.30 -0.44 -0.73 0.00 0.00 179.01 179.46 1qck h ASP 57 N 1.05 1.02 -0.37 1.04 3.32 -1.99 0.99 116.42 121.49 1qck h ASP 57 Ca 0.26 -0.43 -0.16 0.00 0.02 0.00 0.00 57.03 56.72 1qck h ASP 57 Cb 0.11 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 1qck h ASP 57 CO -0.03 1.23 -0.41 -0.07 -1.72 0.00 0.00 179.24 178.24 1qck h LEU 58 N 0.82 1.00 0.00 1.55 3.38 -1.91 -1.16 115.31 118.99 1qck h LEU 58 Ca 0.09 -0.47 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 1qck h LEU 58 Cb 0.89 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.36 1qck h LEU 58 CO 0.08 1.27 -0.00 0.15 0.09 0.00 0.00 178.44 180.03 1qck h PHE 59 N 0.75 -0.00 -0.46 1.13 3.57 -0.46 0.13 116.94 121.60 1qck h PHE 59 Ca 0.05 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1qck h PHE 59 Cb 1.01 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 1qck h PHE 59 CO 0.06 0.16 0.22 0.00 -2.23 0.00 0.00 178.31 176.52 1qck h ARG 60 N -0.17 0.67 -0.56 1.11 3.08 -0.78 -0.82 114.38 116.91 1qck h ARG 60 Ca -0.00 -0.10 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 1qck h ARG 60 Cb 0.17 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1qck h ARG 60 CO 0.00 0.57 0.04 1.49 -1.07 0.00 0.00 179.97 181.00 1qck h GLU 61 N 0.60 0.94 -0.03 0.04 4.81 -1.12 -0.96 114.58 118.86 1qck h GLU 61 Ca 0.16 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1qck h GLU 61 Cb 0.12 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.40 1qck h GLU 61 CO -0.02 0.90 0.01 2.35 -0.73 0.00 0.00 179.01 181.53 1qck h TRP 62 N 0.88 0.05 -0.17 0.92 7.01 -0.31 0.36 115.95 124.68 1qck h TRP 62 Ca 0.17 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.14 1qck h TRP 62 Cb 0.46 -0.02 -0.01 0.00 -2.10 0.00 0.00 29.16 27.49 1qck h TRP 62 CO 0.03 0.20 0.03 1.25 -2.79 0.00 0.00 178.44 177.15 1qck h LEU 63 N -0.11 0.28 -0.38 0.65 5.85 -1.05 0.73 115.31 121.28 1qck h LEU 63 Ca 0.01 -0.27 -0.02 0.00 0.84 0.00 0.00 57.88 58.44 1qck h LEU 63 Cb 0.17 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1qck h LEU 63 CO -0.00 0.47 0.14 0.50 -0.34 0.00 0.00 178.44 179.21 1qck h LYS 64 N 0.07 0.57 -0.19 1.25 3.64 -1.15 0.29 116.57 121.04 1qck h LYS 64 Ca 0.05 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 59.22 1qck h LYS 64 Cb 0.32 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 1qck h LYS 64 CO 0.00 0.56 -0.35 0.22 -2.27 0.00 0.00 179.45 177.61 1qck h ASP 65 N 0.46 0.42 0.72 4.20 1.82 -0.16 0.76 116.42 124.64 1qck h ASP 65 Ca 0.12 -0.16 -0.25 0.00 -0.39 0.00 0.00 57.03 56.35 1qck h ASP 65 Cb 0.21 -0.12 -0.01 0.00 0.68 0.00 0.00 39.33 40.10 1qck h ASP 65 CO -0.01 0.74 -1.15 0.74 -1.61 0.00 0.00 179.24 177.95 1qck h THR 66 N 0.35 1.56 0.00 2.25 2.02 0.86 -3.42 112.91 116.53 1qck h THR 66 Ca 0.04 -3.13 0.00 0.00 0.77 0.00 0.00 66.41 64.09 1qck h THR 66 Cb 0.78 2.89 0.00 0.00 -1.74 0.00 0.00 68.15 70.08 1qck h THR 66 CO 0.06 0.91 -0.47 0.00 0.37 0.00 0.00 175.52 176.39 1qck n GLY 68 N 1.62 1.13 3.44 0.00 0.00 0.26 -5.00 105.19 106.64 1qck n GLY 68 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.63 -1.62 -1.97 4.61 0.00 -1.25 -4.92 120.51 113.73 1qck n ALA 69 Ca 0.00 -0.20 -0.23 0.00 0.00 0.00 0.00 53.44 53.01 1qck n ALA 69 Cb 0.00 -1.81 0.07 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 -1.38 4.85 0.33 0.00 0.01 -1.26 -4.60 114.94 112.89 1qck s ASN 70 Ca 0.65 -0.03 0.00 0.00 -0.71 0.00 0.00 52.86 52.78 1qck s ASN 70 Cb -0.37 -0.64 0.55 0.00 0.41 0.00 0.00 41.25 41.20 1qck s ASN 70 CO 0.58 -1.49 1.99 0.00 -1.51 0.00 0.00 177.10 176.67 1qck h ALA 71 N -0.28 1.48 -0.36 0.60 0.00 -1.99 -0.97 119.26 117.74 1qck h ALA 71 Ca -0.41 -0.05 -0.16 0.00 0.00 0.00 0.00 54.91 54.29 1qck h ALA 71 Cb 1.29 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.79 1qck h ALA 71 CO 0.50 0.48 -0.40 -0.22 0.00 0.00 0.00 179.25 179.60 1qck h LYS 72 N 0.96 0.90 -0.49 0.00 3.64 -2.00 -2.71 116.57 116.87 1qck h LYS 72 Ca 0.26 -0.49 -0.12 0.00 -1.27 0.00 0.00 60.65 59.03 1qck h LYS 72 Cb -0.10 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 1qck h LYS 72 CO -0.05 1.14 -0.17 1.96 -2.27 0.00 0.00 179.45 180.05 1qck h GLN 73 N 0.71 0.96 -0.50 1.90 1.08 -1.77 -3.03 115.11 114.46 1qck h GLN 73 Ca 0.05 -0.38 -0.09 0.00 -1.45 0.00 0.00 58.65 56.77 1qck h GLN 73 Cb 1.00 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.36 1qck h GLN 73 CO 0.10 1.05 -0.07 0.66 -0.95 0.00 0.00 178.83 179.62 1qck h SER 74 N 0.84 0.87 -0.88 1.46 4.64 -1.17 -2.68 113.55 116.64 1qck h SER 74 Ca 0.12 -0.26 0.01 0.00 -0.47 0.00 0.00 61.79 61.19 1qck h SER 74 Cb 0.74 -0.23 -0.04 0.00 -0.31 0.00 0.00 62.40 62.55 1qck h SER 74 CO 0.06 0.97 0.57 0.03 -0.87 0.00 0.00 176.83 177.59 1qck h ARG 75 N 0.80 1.16 -0.45 4.77 3.08 -1.37 -1.29 114.38 121.09 1qck h ARG 75 Ca 0.14 -0.08 -0.13 0.00 0.07 0.00 0.00 59.98 59.98 1qck h ARG 75 Cb 0.58 -0.26 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1qck h ARG 75 CO 0.04 0.78 -0.24 -0.44 -1.07 0.00 0.00 179.97 179.04 1qck h ASP 76 N 1.19 0.96 -0.48 7.04 3.32 -1.39 -2.49 116.42 124.57 1qck h ASP 76 Ca 0.32 -0.37 -0.13 0.00 0.02 0.00 0.00 57.03 56.88 1qck h ASP 76 Cb -0.12 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.15 1qck h ASP 76 CO -0.07 1.14 -0.20 0.00 -1.72 0.00 0.00 179.24 178.40 1qck h PHE 78 N 0.84 -1.20 -0.58 0.00 3.04 -1.13 0.57 116.94 118.47 1qck h PHE 78 Ca 0.11 -0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.04 1qck h PHE 78 Cb 0.77 0.40 -0.03 0.00 2.56 0.00 0.00 35.95 39.65 1qck h PHE 78 CO 0.05 -0.75 0.38 0.78 -2.02 0.00 0.00 178.31 176.76 1qck h GLY 79 N -1.32 0.81 0.70 2.40 0.00 -1.49 0.75 103.07 104.93 1qck h GLY 79 Ca -0.13 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 1qck h GLY 79 CO 0.22 0.30 -0.09 0.00 0.00 0.00 0.00 176.54 176.97 1qck h LEU 81 N -0.12 1.01 -0.62 0.00 3.38 0.55 -1.72 115.31 117.78 1qck h LEU 81 Ca 0.02 -0.47 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 1qck h LEU 81 Cb 0.58 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1qck h LEU 81 CO 0.02 1.28 0.22 -0.09 0.09 0.00 0.00 178.44 179.96 1qck h ARG 82 N 0.76 0.96 -0.38 1.13 9.65 0.57 -2.23 114.38 124.83 1qck h ARG 82 Ca 0.06 -0.19 -0.16 0.00 -1.10 0.00 0.00 59.98 58.59 1qck h ARG 82 Cb 1.01 -0.14 -0.01 0.00 -1.39 0.00 0.00 29.97 29.43 1qck h ARG 82 CO 0.10 0.83 -0.38 0.93 2.80 0.00 0.00 179.97 184.25 1qck h GLU 83 N 0.89 0.92 -0.82 0.20 5.08 -0.33 -1.41 114.58 119.11 1qck h GLU 83 Ca 0.20 -0.48 0.01 0.00 -1.00 0.00 0.00 59.36 58.09 1qck h GLU 83 Cb 0.26 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 1qck h GLU 83 CO -0.01 1.13 0.54 2.35 -1.00 0.00 0.00 179.01 182.02 1qck h TRP 84 N 0.75 1.03 -0.79 4.33 7.01 -1.16 -0.99 115.95 126.12 1qck h TRP 84 Ca 0.06 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.05 1qck h TRP 84 Cb 0.97 -0.35 -0.04 0.00 -2.10 0.00 0.00 29.16 27.64 1qck h TRP 84 CO 0.06 0.65 0.35 0.00 -2.79 0.00 0.00 178.44 176.71 1qck h ASP 86 N 1.13 0.79 0.28 0.00 3.32 -0.11 -1.81 116.42 120.01 1qck h ASP 86 Ca 0.27 -0.03 -0.34 0.00 0.02 0.00 0.00 57.03 56.95 1qck h ASP 86 Cb 0.17 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1qck h ASP 86 CO -0.03 0.59 -1.71 0.00 -1.72 0.00 0.00 179.24 176.37 1qck h ALA 87 N 1.55 0.24 -3.00 3.45 0.00 -0.55 -3.45 119.26 117.50 1qck h ALA 87 Ca 0.25 -1.17 0.00 0.00 0.00 0.00 0.00 54.91 53.99 1qck h ALA 87 Cb -0.08 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1qck h ALA 87 CO -0.05 1.10 0.00 1.19 0.00 0.00 0.00 179.25 181.49 1qck n PHE 88 N -3.52 0.00 1.78 0.00 3.72 0.20 -5.10 117.46 114.53 1qck n PHE 88 Ca -0.22 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.33 1qck n PHE 88 Cb 1.06 0.00 0.76 0.00 -0.94 0.00 0.00 39.48 40.36 1qck n PHE 88 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60