#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 -3.55 2.03 -2.24 -1.26 -4.84 114.28 104.42 1qck n THR 2 Ca 0.00 -0.25 -0.37 0.00 -2.27 0.00 0.00 64.05 61.16 1qck n THR 2 Cb 0.00 0.50 -0.06 0.00 -2.10 0.00 0.00 70.33 68.67 1qck n THR 2 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1qck s THR 3 N -2.01 5.20 0.75 4.28 -4.23 -1.26 -5.08 115.64 113.29 1qck s THR 3 Ca 0.38 0.67 -0.12 0.00 -1.18 0.00 0.00 61.69 61.44 1qck s THR 3 Cb 0.21 -3.65 0.04 0.00 1.34 0.00 0.00 72.50 70.44 1qck s THR 3 CO 0.34 0.51 1.10 -0.44 -0.54 0.00 0.00 174.62 175.59 1qck s SER 4 N -0.47 5.04 0.66 3.99 0.01 -1.26 -4.89 113.70 116.78 1qck s SER 4 Ca 0.20 1.16 0.34 0.00 1.31 0.00 0.00 55.95 58.96 1qck s SER 4 Cb -0.15 -1.91 1.83 0.00 0.21 0.00 0.00 66.02 66.01 1qck s SER 4 CO 0.09 -1.60 2.05 1.56 0.41 0.00 0.00 173.24 175.74 1qck h GLN 5 N -0.84 0.00 -0.65 12.44 4.20 -1.99 -0.14 115.11 128.13 1qck h GLN 5 Ca -0.46 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.24 1qck h GLN 5 Cb 1.27 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 29.01 1qck h GLN 5 CO 0.63 0.00 0.35 0.87 -0.67 0.00 0.00 178.83 180.01 1qck h LYS 6 N 0.00 0.89 0.02 1.46 1.57 -1.97 -0.02 116.57 118.51 1qck h LYS 6 Ca 0.01 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.70 1qck h LYS 6 Cb 0.51 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.64 1qck h LYS 6 CO -0.00 0.66 -0.01 1.25 -0.57 0.00 0.00 179.45 180.78 1qck h HIS 7 N 0.90 -0.02 -0.16 -1.35 2.76 -1.36 0.68 115.15 116.61 1qck h HIS 7 Ca 0.23 -0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.27 1qck h HIS 7 Cb 0.02 0.01 -0.01 0.00 1.55 0.00 0.00 27.41 28.98 1qck h HIS 7 CO 0.01 -0.01 -0.47 0.00 -1.30 0.00 0.00 177.93 176.16 1qck h ARG 8 N -0.02 0.40 -0.18 5.26 2.47 -1.63 -2.48 114.38 118.20 1qck h ARG 8 Ca -0.00 -0.22 -0.18 0.00 -1.26 0.00 0.00 59.98 58.31 1qck h ARG 8 Cb 0.02 0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1qck h ARG 8 CO 0.00 0.79 -0.63 -0.44 0.56 0.00 0.00 179.97 180.25 1qck h ASP 9 N 0.33 0.74 -0.42 7.04 3.32 -0.68 -2.89 116.42 123.85 1qck h ASP 9 Ca 0.02 -0.43 -0.09 0.00 0.02 0.00 0.00 57.03 56.55 1qck h ASP 9 Cb 0.94 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 1qck h ASP 9 CO 0.08 1.18 -0.08 0.15 -1.72 0.00 0.00 179.24 178.86 1qck h PHE 10 N 0.48 0.88 -0.10 4.55 3.57 0.50 -2.19 116.94 124.63 1qck h PHE 10 Ca -0.01 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1qck h PHE 10 Cb 1.21 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1qck h PHE 10 CO 0.06 0.90 0.00 1.33 -2.23 0.00 0.00 178.31 178.37 1qck n VAL 11 N -4.34 0.30 0.03 1.41 0.24 -0.94 -3.24 118.33 111.79 1qck n VAL 11 Ca -0.01 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.11 1qck n VAL 11 Cb 0.35 -0.22 -0.00 0.00 -1.47 0.00 0.00 33.84 32.50 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 -0.03 2.15 -3.33 2.33 0.00 -0.84 -4.95 120.51 115.84 1qck n ALA 12 Ca 0.04 -0.09 -0.15 0.00 0.00 0.00 0.00 53.44 53.24 1qck n ALA 12 Cb 0.26 -0.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.61 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 -0.91 0.87 0.99 0.00 -1.05 -1.11 -5.07 118.70 112.43 1qck s GLU 13 Ca 0.00 -0.06 -0.17 0.00 -0.15 0.00 0.00 54.97 54.59 1qck s GLU 13 Cb 0.01 0.40 -0.12 0.00 -0.44 0.00 0.00 34.13 33.98 1qck s GLU 13 CO 0.02 -0.27 -0.65 -2.30 0.95 0.00 0.00 175.26 173.02 1qck n PRO 14 N 0.97 -0.09 -0.01 -4.83 -0.02 -1.26 -4.80 135.00 124.96 1qck n PRO 14 Ca -0.20 -0.02 0.01 0.00 -2.02 0.00 0.00 63.50 61.28 1qck n PRO 14 Cb 0.57 -1.17 -0.13 0.00 -0.02 0.00 0.00 33.50 32.76 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 1.64 0.65 0.00 -0.52 0.00 -1.26 -5.03 117.12 112.61 1qck n MET 15 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.71 1qck n MET 15 Cb 0.58 -1.63 0.00 0.00 0.00 0.00 0.00 33.22 32.16 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 1.44 2.80 1.74 3.17 0.00 -1.26 -2.44 105.19 110.63 1qck n GLY 16 Ca -0.14 -0.26 -0.18 0.00 0.00 0.00 0.00 46.02 45.45 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 2.51 -1.73 1.61 1.02 -1.26 -4.74 120.64 132.06 1qck n GLU 17 Ca 0.00 -3.46 -0.37 0.00 -0.02 0.00 0.00 57.16 53.31 1qck n GLU 17 Cb 0.00 -2.07 0.07 0.00 -0.02 0.00 0.00 31.44 29.42 1qck n GLU 17 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1qck n LYS 18 N -0.98 1.18 -1.04 3.49 4.76 -1.02 -4.83 118.16 119.72 1qck n LYS 18 Ca 0.45 0.46 -0.33 0.00 -2.87 0.00 0.00 58.31 56.02 1qck n LYS 18 Cb 0.99 -2.55 0.13 0.00 -1.84 0.00 0.00 35.03 31.77 1qck n LYS 18 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1qck n PRO 19 N -1.83 0.08 -0.07 1.97 -0.04 -1.26 -2.37 135.00 131.48 1qck n PRO 19 Ca 0.15 0.11 -0.08 0.00 -0.04 0.00 0.00 63.50 63.64 1qck n PRO 19 Cb 0.48 -2.42 -0.01 0.00 -0.04 0.00 0.00 33.50 31.51 1qck n PRO 19 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1qck h VAL 20 N -1.06 0.94 0.00 0.52 3.04 -1.78 -0.75 116.25 117.17 1qck h VAL 20 Ca -0.46 -0.08 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 1qck h VAL 20 Cb 1.29 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 1qck h VAL 20 CO 0.45 0.04 0.02 0.61 -1.01 0.00 0.00 177.57 177.68 1qck n GLY 21 N -1.19 -0.06 0.14 3.17 0.00 -1.26 -0.48 105.19 105.51 1qck n GLY 21 Ca -0.01 0.00 0.03 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 -3.79 1.61 4.64 -1.40 -3.44 113.55 111.17 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 0.03 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.21 1qck h SER 22 CO 0.00 0.48 0.73 -0.76 -0.87 0.00 0.00 176.83 176.41 1qck s LEU 23 N -6.35 4.37 0.24 5.97 1.43 0.36 -4.93 118.68 119.78 1qck s LEU 23 Ca 0.03 2.85 -0.30 0.00 -1.03 0.00 0.00 54.13 55.68 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 0.75 -0.73 1.46 0.00 0.23 0.00 0.00 176.35 178.06 1qck s ALA 24 N -0.88 3.65 0.00 4.21 0.00 -1.26 -2.20 121.76 125.28 1qck s ALA 24 Ca 0.53 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.84 1qck s ALA 24 Cb -0.43 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.12 1qck s ALA 24 CO 0.55 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1qck n GLY 25 N 2.32 3.39 3.56 0.00 0.00 -1.26 -3.51 105.19 109.69 1qck n GLY 25 Ca 0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.94 5.25 0.66 -0.61 -1.09 -0.93 -4.86 121.20 116.68 1qck s ILE 26 Ca 0.00 0.03 0.06 0.00 -2.23 0.00 0.00 60.65 58.51 1qck s ILE 26 Cb 0.00 -3.56 0.12 0.00 -1.58 0.00 0.00 42.46 37.44 1qck s ILE 26 CO 0.00 0.17 0.91 -0.83 -1.23 0.00 0.00 174.94 173.96 1qck s GLY 27 N 1.74 1.71 0.26 6.18 0.00 -1.26 -4.68 107.32 111.27 1qck s GLY 27 Ca 0.07 -2.10 -0.04 0.00 0.00 0.00 0.00 44.72 42.65 1qck s GLY 27 CO 0.10 -1.54 1.90 0.83 0.00 0.00 0.00 173.10 174.39 1qck h GLU 28 N -0.18 1.20 -0.16 2.90 4.39 -1.98 0.45 114.58 121.19 1qck h GLU 28 Ca -0.30 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.29 1qck h GLU 28 Cb 1.28 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 29.65 1qck h GLU 28 CO 0.39 0.79 -0.02 0.28 -1.16 0.00 0.00 179.01 179.29 1qck h VAL 29 N 1.23 1.27 -0.50 3.13 2.07 -2.00 -2.13 116.25 119.33 1qck h VAL 29 Ca 0.41 -0.93 -0.10 0.00 0.82 0.00 0.00 66.70 66.90 1qck h VAL 29 Cb 0.06 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1qck h VAL 29 CO -0.14 0.28 -0.09 -0.07 0.02 0.00 0.00 177.57 177.56 1qck h LEU 30 N 0.02 0.91 -1.01 2.57 3.38 -1.82 -2.72 115.31 116.63 1qck h LEU 30 Ca 0.04 -0.28 0.01 0.00 0.09 0.00 0.00 57.88 57.75 1qck h LEU 30 Cb 0.43 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1qck h LEU 30 CO 0.01 1.02 0.67 1.23 0.09 0.00 0.00 178.44 181.46 1qck h GLY 31 N 0.97 1.42 1.07 0.83 0.00 -0.01 -1.64 103.07 105.70 1qck h GLY 31 Ca 0.14 -0.53 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 1qck h GLY 31 CO 0.04 0.51 0.20 1.70 0.00 0.00 0.00 176.54 178.99 1qck h LYS 32 N 1.36 1.15 -0.16 4.80 3.64 -1.09 0.61 116.57 126.88 1qck h LYS 32 Ca 0.37 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1qck h LYS 32 Cb -0.14 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.51 1qck h LYS 32 CO -0.08 1.00 -0.00 0.87 -2.27 0.00 0.00 179.45 178.96 1qck h LYS 33 N 1.10 0.28 -0.84 1.90 1.57 -1.14 -1.29 116.57 118.15 1qck h LYS 33 Ca 0.23 -0.09 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 1qck h LYS 33 Cb 0.35 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.59 1qck h LYS 33 CO -0.00 0.51 0.42 -0.07 -0.57 0.00 0.00 179.45 179.74 1qck h LEU 34 N 0.02 1.09 -0.69 2.94 3.38 -1.20 -2.13 115.31 118.72 1qck h LEU 34 Ca 0.04 -0.12 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1qck h LEU 34 Cb 0.38 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 1qck h LEU 34 CO 0.01 0.91 0.46 -0.08 0.09 0.00 0.00 178.44 179.82 1qck h GLU 35 N 1.20 0.91 0.00 1.13 4.81 -0.63 0.16 114.58 122.16 1qck h GLU 35 Ca 0.29 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 1qck h GLU 35 Cb 0.09 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1qck h GLU 35 CO -0.04 0.60 0.00 1.49 -0.73 0.00 0.00 179.01 180.33 1qck h GLU 36 N 0.94 0.00 -0.10 1.92 4.57 -0.66 -0.67 114.58 120.57 1qck h GLU 36 Ca 0.25 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1qck h GLU 36 Cb -0.11 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 1qck h GLU 36 CO -0.06 0.00 0.00 0.54 -1.18 0.00 0.00 179.01 178.31 1qck n ARG 37 N -3.06 1.72 0.00 1.92 5.12 0.49 -4.89 116.66 117.95 1qck n ARG 37 Ca -0.01 -1.06 0.00 0.00 -1.93 0.00 0.00 57.85 54.84 1qck n ARG 37 Cb 0.18 -1.43 0.00 0.00 -1.16 0.00 0.00 32.46 30.04 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 1.16 0.88 3.04 -0.13 0.00 -0.26 -5.03 105.19 104.85 1qck n GLY 38 Ca 0.17 0.00 -0.40 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 -1.72 3.71 0.96 1.61 3.01 -0.67 -4.81 117.46 119.55 1qck n PHE 39 Ca 0.00 -3.52 0.14 0.00 1.01 0.00 0.00 57.45 55.08 1qck n PHE 39 Cb 0.00 -1.25 0.60 0.00 -0.01 0.00 0.00 39.48 38.82 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 1.85 0.09 -4.16 4.37 5.75 -1.26 -3.71 116.55 119.47 1qck n ASP 40 Ca 0.25 0.51 -0.15 0.00 -0.01 0.00 0.00 54.79 55.38 1qck n ASP 40 Cb 0.37 -0.53 -0.11 0.00 -1.03 0.00 0.00 41.12 39.81 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 -3.01 0.80 0.13 0.11 -0.14 -1.26 -3.61 119.74 112.76 1qck s LYS 41 Ca 0.14 -1.06 -0.16 0.00 -1.36 0.00 0.00 55.97 53.53 1qck s LYS 41 Cb 0.18 -0.58 -0.01 0.00 -1.68 0.00 0.00 37.83 35.74 1qck s LYS 41 CO 0.54 0.10 1.67 0.00 -0.76 0.00 0.00 175.35 176.90 1qck h ALA 42 N 3.87 0.52 0.00 5.17 0.00 -1.60 -2.60 119.26 124.62 1qck h ALA 42 Ca -0.38 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1qck h ALA 42 Cb 1.19 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1qck h ALA 42 CO 0.48 0.14 0.14 0.10 0.00 0.00 0.00 179.25 180.11 1qck h TYR 43 N 0.50 0.00 0.08 0.00 -0.00 -1.85 0.25 116.97 115.95 1qck h TYR 43 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 58.73 58.61 1qck h TYR 43 Cb 0.22 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.94 1qck h TYR 43 CO 0.00 0.00 -1.15 0.28 -0.00 0.00 0.00 178.16 177.30 1qck h VAL 44 N 0.00 1.56 -0.10 -0.90 2.07 -1.87 -2.73 116.25 114.27 1qck h VAL 44 Ca 0.00 -3.12 -0.23 0.00 0.82 0.00 0.00 66.70 64.18 1qck h VAL 44 Cb 0.28 2.88 0.01 0.00 -1.52 0.00 0.00 31.29 32.94 1qck h VAL 44 CO 0.00 0.90 -0.83 0.58 0.02 0.00 0.00 177.57 178.24 1qck h VAL 45 N 0.06 1.30 -0.91 2.57 2.07 -0.62 -2.86 116.25 117.86 1qck h VAL 45 Ca -0.09 -2.08 0.05 0.00 0.82 0.00 0.00 66.70 65.39 1qck h VAL 45 Cb 1.88 2.11 -0.05 0.00 -1.52 0.00 0.00 31.29 33.70 1qck h VAL 45 CO 0.18 0.65 0.60 0.25 0.02 0.00 0.00 177.57 179.26 1qck h LEU 46 N 0.45 0.96 -0.73 2.57 5.85 -1.18 -1.40 115.31 121.82 1qck h LEU 46 Ca -0.07 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.70 1qck h LEU 46 Cb 1.46 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 42.22 1qck h LEU 46 CO 0.16 0.64 0.43 1.23 -0.34 0.00 0.00 178.44 180.57 1qck h GLY 47 N 1.10 1.07 1.01 3.75 0.00 -1.25 -0.07 103.07 108.67 1qck h GLY 47 Ca 0.37 -0.31 0.01 0.00 0.00 0.00 0.00 47.33 47.40 1qck h GLY 47 CO -0.12 0.22 0.47 -1.61 0.00 0.00 0.00 176.54 175.50 1qck h GLN 48 N 0.81 0.96 -1.00 4.80 5.75 -1.19 0.45 115.11 125.69 1qck h GLN 48 Ca 0.31 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.76 1qck h GLN 48 Cb 0.14 -0.21 -0.05 0.00 1.07 0.00 0.00 27.48 28.43 1qck h GLN 48 CO -0.16 0.64 0.66 0.35 -2.65 0.00 0.00 178.83 177.67 1qck h PHE 49 N 0.98 1.26 -0.38 3.99 3.57 -0.92 0.98 116.94 126.43 1qck h PHE 49 Ca 0.26 0.03 -0.16 0.00 3.53 0.00 0.00 57.97 61.63 1qck h PHE 49 Cb -0.10 -0.43 -0.01 0.00 2.79 0.00 0.00 35.95 38.21 1qck h PHE 49 CO -0.02 0.80 -0.40 -0.07 -2.23 0.00 0.00 178.31 176.38 1qck h LEU 50 N 1.36 1.01 -1.43 0.59 3.38 0.21 -2.60 115.31 117.83 1qck h LEU 50 Ca 0.37 -0.47 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 1qck h LEU 50 Cb -0.15 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.31 1qck h LEU 50 CO -0.08 1.27 -0.23 0.58 0.09 0.00 0.00 178.44 180.07 1qck h VAL 51 N 0.76 0.73 -0.32 1.22 2.07 0.74 -2.48 116.25 118.97 1qck h VAL 51 Ca 0.06 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.60 1qck h VAL 51 Cb 1.00 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1qck h VAL 51 CO 0.10 0.23 0.00 0.18 0.02 0.00 0.00 177.57 178.10 1qck n LEU 52 N -3.63 2.66 -2.38 2.57 4.77 0.25 -4.88 117.00 116.37 1qck n LEU 52 Ca -0.01 -1.34 -0.13 0.00 -0.03 0.00 0.00 56.01 54.50 1qck n LEU 52 Cb 0.36 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 41.02 1qck n LEU 52 CO 0.33 0.46 -0.16 0.29 -1.33 0.00 0.00 177.39 176.98 1qck n LYS 53 N 0.43 -2.15 -1.60 3.23 5.02 -0.94 -0.61 118.16 121.54 1qck n LYS 53 Ca 0.13 0.63 -0.21 0.00 -2.02 0.00 0.00 58.31 56.84 1qck n LYS 53 Cb 0.52 -5.21 -0.09 0.00 -0.02 0.00 0.00 35.03 30.23 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 -2.76 -1.47 -2.04 1.97 5.02 -0.99 -4.90 118.16 112.98 1qck n LYS 54 Ca -0.15 1.23 -0.43 0.00 -2.02 0.00 0.00 58.31 56.94 1qck n LYS 54 Cb 0.60 -5.61 -0.03 0.00 -0.02 0.00 0.00 35.03 29.97 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 -2.77 6.37 0.22 4.39 1.01 0.22 -4.87 116.67 121.24 1qck s ASP 55 Ca 0.00 1.79 -0.08 0.00 0.71 0.00 0.00 52.55 54.98 1qck s ASP 55 Cb 0.00 -2.53 0.17 0.00 1.01 0.00 0.00 42.92 41.57 1qck s ASP 55 CO 0.00 -1.24 1.80 -0.08 0.21 0.00 0.00 175.17 175.87 1qck h GLU 56 N 10.79 1.21 -0.48 8.23 4.81 -1.90 0.11 114.58 137.35 1qck h GLU 56 Ca -0.36 -0.19 -0.14 0.00 -0.13 0.00 0.00 59.36 58.54 1qck h GLU 56 Cb 1.17 -0.21 -0.01 0.00 0.63 0.00 0.00 28.75 30.33 1qck h GLU 56 CO 0.99 0.95 -0.23 -0.44 -0.73 0.00 0.00 179.01 179.55 1qck h ASP 57 N 1.19 1.03 -0.19 1.04 3.32 -1.99 0.09 116.42 120.91 1qck h ASP 57 Ca 0.28 -0.40 -0.21 0.00 0.02 0.00 0.00 57.03 56.73 1qck h ASP 57 Cb 0.16 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.43 1qck h ASP 57 CO -0.03 1.20 -0.68 -0.07 -1.72 0.00 0.00 179.24 177.94 1qck h LEU 58 N 0.86 0.94 -0.05 1.55 3.38 -1.90 -2.66 115.31 117.43 1qck h LEU 58 Ca 0.11 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 57.51 1qck h LEU 58 Cb 0.81 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.28 1qck h LEU 58 CO 0.07 1.37 0.02 0.15 0.09 0.00 0.00 178.44 180.13 1qck h PHE 59 N 0.59 0.07 -0.52 1.13 3.57 -0.65 -0.78 116.94 120.34 1qck h PHE 59 Ca -0.02 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1qck h PHE 59 Cb 1.30 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.99 1qck h PHE 59 CO 0.08 0.21 0.35 0.00 -2.23 0.00 0.00 178.31 176.72 1qck h ARG 60 N -0.09 0.69 -0.50 1.11 3.08 -1.01 -0.06 114.38 117.60 1qck h ARG 60 Ca 0.02 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 1qck h ARG 60 Cb 0.17 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1qck h ARG 60 CO -0.00 0.46 -0.02 0.93 -1.07 0.00 0.00 179.97 180.27 1qck h GLU 61 N 0.71 0.86 -0.09 0.04 5.08 -1.41 -0.34 114.58 119.43 1qck h GLU 61 Ca 0.19 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1qck h GLU 61 Cb -0.08 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.08 1qck h GLU 61 CO -0.04 0.88 0.02 2.35 -1.00 0.00 0.00 179.01 181.21 1qck h TRP 62 N 0.80 0.15 -0.19 4.33 7.01 -0.50 0.37 115.95 127.91 1qck h TRP 62 Ca 0.15 -0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.09 1qck h TRP 62 Cb 0.51 -0.04 -0.01 0.00 -2.10 0.00 0.00 29.16 27.52 1qck h TRP 62 CO 0.03 0.34 -0.03 1.25 -2.79 0.00 0.00 178.44 177.24 1qck h LEU 63 N -0.07 0.36 -0.29 0.65 5.85 -0.92 0.55 115.31 121.44 1qck h LEU 63 Ca 0.03 -0.35 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 1qck h LEU 63 Cb 0.26 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.18 1qck h LEU 63 CO 0.00 0.62 0.12 0.50 -0.34 0.00 0.00 178.44 179.35 1qck h LYS 64 N 0.10 0.42 -0.04 1.25 3.11 -1.05 0.18 116.57 120.53 1qck h LYS 64 Ca 0.05 -0.07 -0.10 0.00 -2.81 0.00 0.00 60.65 57.72 1qck h LYS 64 Cb 0.45 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.60 1qck h LYS 64 CO 0.02 0.43 -0.44 0.22 -2.81 0.00 0.00 179.45 176.86 1qck h ASP 65 N 0.32 0.10 0.32 4.20 1.82 -0.20 0.45 116.42 123.44 1qck h ASP 65 Ca 0.10 -0.04 -0.28 0.00 -0.39 0.00 0.00 57.03 56.42 1qck h ASP 65 Cb 0.16 -0.03 0.02 0.00 0.68 0.00 0.00 39.33 40.15 1qck h ASP 65 CO -0.01 0.54 -1.18 0.74 -1.61 0.00 0.00 179.24 177.72 1qck h THR 66 N 0.08 1.37 0.00 2.25 2.02 0.52 -3.42 112.91 115.73 1qck h THR 66 Ca 0.00 -2.62 0.00 0.00 0.77 0.00 0.00 66.41 64.56 1qck h THR 66 Cb 0.82 2.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.93 1qck h THR 66 CO 0.06 0.78 -0.49 0.00 0.37 0.00 0.00 175.52 176.24 1qck n GLY 68 N 1.52 1.15 3.48 0.00 0.00 0.16 -5.03 105.19 106.47 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 -1.56 -1.39 -2.55 4.61 0.00 -1.25 -4.93 120.51 113.43 1qck n ALA 69 Ca 0.00 -0.25 -0.24 0.00 0.00 0.00 0.00 53.44 52.95 1qck n ALA 69 Cb 0.00 -1.89 0.13 0.00 0.00 0.00 0.00 19.45 17.70 1qck n ALA 69 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1qck n ASN 70 N -0.53 1.26 0.07 0.00 0.23 -1.26 -4.55 115.26 110.48 1qck n ASN 70 Ca 0.10 -2.10 -0.01 0.00 -0.53 0.00 0.00 54.58 52.04 1qck n ASN 70 Cb 0.50 -0.71 0.26 0.00 -2.08 0.00 0.00 39.78 37.76 1qck n ASN 70 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1qck h ALA 71 N -0.74 1.22 -0.28 -2.53 0.00 -1.99 -2.37 119.26 112.57 1qck h ALA 71 Ca -0.35 -0.32 -0.19 0.00 0.00 0.00 0.00 54.91 54.05 1qck h ALA 71 Cb 1.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1qck h ALA 71 CO 0.36 0.51 -0.57 -0.22 0.00 0.00 0.00 179.25 179.33 1qck h LYS 72 N 0.30 0.88 -0.44 0.00 3.64 -2.01 -2.86 116.57 116.08 1qck h LYS 72 Ca 0.05 -0.57 -0.10 0.00 -1.27 0.00 0.00 60.65 58.75 1qck h LYS 72 Cb 0.62 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.50 1qck h LYS 72 CO 0.04 1.20 -0.14 1.96 -2.27 0.00 0.00 179.45 180.25 1qck h GLN 73 N 0.66 0.82 -0.44 1.90 4.20 -1.86 -2.94 115.11 117.44 1qck h GLN 73 Ca 0.01 -0.29 -0.10 0.00 0.06 0.00 0.00 58.65 58.32 1qck h GLN 73 Cb 1.18 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 1qck h GLN 73 CO 0.13 0.91 -0.15 0.66 -0.67 0.00 0.00 178.83 179.71 1qck h SER 74 N 0.73 0.82 -0.79 1.46 4.64 -1.41 -2.66 113.55 116.34 1qck h SER 74 Ca 0.12 -0.27 0.01 0.00 -0.47 0.00 0.00 61.79 61.18 1qck h SER 74 Cb 0.64 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.47 1qck h SER 74 CO 0.04 0.98 0.53 0.03 -0.87 0.00 0.00 176.83 177.54 1qck h ARG 75 N 0.74 1.04 -0.51 4.77 3.08 -1.33 -1.42 114.38 120.75 1qck h ARG 75 Ca 0.12 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 59.97 1qck h ARG 75 Cb 0.65 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.45 1qck h ARG 75 CO 0.05 0.69 -0.18 -0.44 -1.07 0.00 0.00 179.97 179.01 1qck h ASP 76 N 1.07 1.04 -0.48 7.04 3.32 -1.38 -2.75 116.42 124.28 1qck h ASP 76 Ca 0.29 -0.38 -0.13 0.00 0.02 0.00 0.00 57.03 56.83 1qck h ASP 76 Cb -0.12 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.13 1qck h ASP 76 CO -0.06 1.19 -0.22 0.00 -1.72 0.00 0.00 179.24 178.42 1qck h PHE 78 N 0.86 -1.27 -0.36 0.00 3.04 -1.19 0.16 116.94 118.19 1qck h PHE 78 Ca 0.11 -0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.04 1qck h PHE 78 Cb 0.80 0.43 -0.02 0.00 2.56 0.00 0.00 35.95 39.73 1qck h PHE 78 CO 0.05 -0.76 0.24 0.78 -2.02 0.00 0.00 178.31 176.60 1qck h GLY 79 N -1.29 0.51 0.59 2.40 0.00 -1.53 0.76 103.07 104.50 1qck h GLY 79 Ca -0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1qck h GLY 79 CO 0.18 0.19 -0.03 0.00 0.00 0.00 0.00 176.54 176.88 1qck h LEU 81 N -0.49 0.86 -0.55 0.00 3.38 -0.38 -1.98 115.31 116.14 1qck h LEU 81 Ca -0.01 -0.62 0.00 0.00 0.09 0.00 0.00 57.88 57.34 1qck h LEU 81 Cb 0.43 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.90 1qck h LEU 81 CO 0.01 1.34 0.36 -0.09 0.09 0.00 0.00 178.44 180.16 1qck h ARG 82 N 0.43 0.73 -0.28 1.13 9.65 0.49 -1.09 114.38 125.44 1qck h ARG 82 Ca -0.04 -0.05 -0.16 0.00 -1.10 0.00 0.00 59.98 58.63 1qck h ARG 82 Cb 1.31 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 29.72 1qck h ARG 82 CO 0.14 0.49 -0.46 0.93 2.80 0.00 0.00 179.97 183.87 1qck h GLU 83 N 0.75 0.75 -0.62 0.20 5.08 -0.97 -2.52 114.58 117.25 1qck h GLU 83 Ca 0.20 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 58.12 1qck h GLU 83 Cb -0.08 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1qck h GLU 83 CO -0.04 1.05 0.33 2.35 -1.00 0.00 0.00 179.01 181.70 1qck h TRP 84 N 0.60 0.87 -0.88 4.33 7.01 -1.04 -2.50 115.95 124.34 1qck h TRP 84 Ca 0.03 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 1qck h TRP 84 Cb 1.03 -0.28 -0.04 0.00 -2.10 0.00 0.00 29.16 27.77 1qck h TRP 84 CO 0.05 0.64 0.50 0.00 -2.79 0.00 0.00 178.44 176.85 1qck h ASP 86 N 1.23 0.00 0.17 0.00 3.32 -1.01 2.03 116.42 122.16 1qck h ASP 86 Ca 0.31 0.00 -0.35 0.00 0.02 0.00 0.00 57.03 57.01 1qck h ASP 86 Cb -0.01 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.49 1qck h ASP 86 CO -0.05 0.00 -2.12 0.00 -1.72 0.00 0.00 179.24 175.35 1qck n ALA 87 N -2.44 1.34 0.47 3.45 0.00 -0.52 -4.56 120.51 118.24 1qck n ALA 87 Ca -0.03 -0.95 0.05 0.00 0.00 0.00 0.00 53.44 52.52 1qck n ALA 87 Cb 0.10 -0.48 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 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 -3.12 0.00 1.21 0.00 3.72 0.12 -5.12 117.46 114.28 1qck n PHE 88 Ca -0.31 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.22 1qck n PHE 88 Cb 1.07 0.00 0.28 0.00 -0.94 0.00 0.00 39.48 39.89 1qck n PHE 88 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60