#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 -3.69 2.03 -1.04 -1.26 -4.54 114.28 105.78 1qck n THR 2 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 1qck n THR 2 Cb 0.00 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.42 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 5.38 0.67 12.58 -4.23 -1.26 -5.05 115.64 123.73 1qck s THR 3 Ca 0.00 0.18 -0.11 0.00 -1.18 0.00 0.00 61.69 60.58 1qck s THR 3 Cb 0.00 -3.48 -0.01 0.00 1.34 0.00 0.00 72.50 70.35 1qck s THR 3 CO 0.00 0.39 1.07 -0.55 -0.54 0.00 0.00 174.62 174.99 1qck s SER 4 N 0.74 5.72 0.65 3.99 0.15 -1.26 -4.87 113.70 118.82 1qck s SER 4 Ca 0.08 1.29 0.24 0.00 0.70 0.00 0.00 55.95 58.25 1qck s SER 4 Cb -0.12 -2.19 1.29 0.00 -1.71 0.00 0.00 66.02 63.29 1qck s SER 4 CO 0.02 -1.19 1.73 -0.61 1.20 0.00 0.00 173.24 174.39 1qck h GLN 5 N -0.54 0.00 -0.52 5.44 4.15 -1.98 0.35 115.11 122.00 1qck h GLN 5 Ca -0.45 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 58.95 1qck h GLN 5 Cb 1.23 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.89 1qck h GLN 5 CO 0.62 0.00 0.23 0.87 -1.93 0.00 0.00 178.83 178.63 1qck h LYS 6 N 0.00 0.73 -0.12 1.69 1.57 -1.98 -0.51 116.57 117.96 1qck h LYS 6 Ca 0.04 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 1qck h LYS 6 Cb 1.03 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 33.20 1qck h LYS 6 CO -0.00 0.58 0.08 1.25 -0.57 0.00 0.00 179.45 180.79 1qck h HIS 7 N 0.73 0.15 -0.17 -1.35 2.76 -0.63 0.33 115.15 116.96 1qck h HIS 7 Ca 0.18 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.22 1qck h HIS 7 Cb 0.10 -0.05 -0.01 0.00 1.55 0.00 0.00 27.41 29.00 1qck h HIS 7 CO 0.01 0.09 -0.46 0.00 -1.30 0.00 0.00 177.93 176.28 1qck h ARG 8 N 0.16 0.44 -0.37 5.26 3.08 -1.59 -2.67 114.38 118.68 1qck h ARG 8 Ca 0.04 -0.24 -0.16 0.00 0.07 0.00 0.00 59.98 59.69 1qck h ARG 8 Cb -0.02 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1qck h ARG 8 CO -0.01 0.81 -0.41 -0.44 -1.07 0.00 0.00 179.97 178.85 1qck h ASP 9 N 0.35 0.99 -0.49 7.04 3.32 -0.75 -2.74 116.42 124.15 1qck h ASP 9 Ca 0.02 -0.46 -0.07 0.00 0.02 0.00 0.00 57.03 56.54 1qck h ASP 9 Cb 0.94 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.19 1qck h ASP 9 CO 0.08 1.26 0.05 0.15 -1.72 0.00 0.00 179.24 179.06 1qck h PHE 10 N 0.75 0.90 -0.14 4.55 3.57 -0.26 -2.20 116.94 124.10 1qck h PHE 10 Ca 0.06 -0.14 0.00 0.00 3.53 0.00 0.00 57.97 61.42 1qck h PHE 10 Cb 1.00 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.50 1qck h PHE 10 CO 0.06 0.83 0.00 1.33 -2.23 0.00 0.00 178.31 178.31 1qck n VAL 11 N -4.38 0.39 0.22 1.41 0.24 -1.02 -3.40 118.33 111.80 1qck n VAL 11 Ca 0.01 -0.26 0.02 0.00 -2.04 0.00 0.00 64.34 62.08 1qck n VAL 11 Cb 0.28 -0.15 -0.03 0.00 -1.47 0.00 0.00 33.84 32.47 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 0.05 2.62 -3.34 2.33 0.00 -0.84 -4.95 120.51 116.38 1qck n ALA 12 Ca 0.06 -0.14 -0.15 0.00 0.00 0.00 0.00 53.44 53.21 1qck n ALA 12 Cb 0.28 -0.18 -0.08 0.00 0.00 0.00 0.00 19.45 19.48 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 -1.49 0.82 0.98 0.00 -1.05 -1.14 -5.07 118.70 111.74 1qck s GLU 13 Ca 0.02 -0.02 -0.18 0.00 -0.15 0.00 0.00 54.97 54.64 1qck s GLU 13 Cb 0.04 0.37 -0.15 0.00 -0.44 0.00 0.00 34.13 33.95 1qck s GLU 13 CO 0.20 -0.24 -0.88 -2.30 0.95 0.00 0.00 175.26 172.99 1qck n PRO 14 N 1.14 0.00 0.06 -4.83 -0.02 -1.26 -4.81 135.00 125.28 1qck n PRO 14 Ca -0.21 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.39 1qck n PRO 14 Cb 0.56 -0.98 -0.00 0.00 -0.02 0.00 0.00 33.50 33.06 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 2.46 0.49 0.00 -0.52 0.00 -1.26 -5.03 117.12 113.27 1qck n MET 15 Ca -0.02 0.04 0.00 0.00 0.00 0.00 0.00 57.70 57.72 1qck n MET 15 Cb 0.57 -1.70 0.00 0.00 0.00 0.00 0.00 33.22 32.09 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 1.26 1.74 1.92 3.17 0.00 -1.26 -2.41 105.19 109.62 1qck n GLY 16 Ca 0.00 -0.41 -0.18 0.00 0.00 0.00 0.00 46.02 45.43 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 9.46 2.15 -1.74 1.61 1.02 -1.26 -4.84 120.64 127.05 1qck n GLU 17 Ca 0.00 -3.07 -0.37 0.00 -0.02 0.00 0.00 57.16 53.70 1qck n GLU 17 Cb 0.00 -2.08 0.06 0.00 -0.02 0.00 0.00 31.44 29.41 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 -3.28 2.68 0.85 3.49 -0.14 -1.01 -4.92 119.74 117.41 1qck s LYS 18 Ca 0.53 2.13 -0.10 0.00 -1.36 0.00 0.00 55.97 57.17 1qck s LYS 18 Cb 0.46 -1.95 0.11 0.00 -1.68 0.00 0.00 37.83 34.77 1qck s LYS 18 CO 0.08 -1.52 1.12 -1.25 -0.76 0.00 0.00 175.35 173.02 1qck s PRO 19 N -3.26 1.56 0.16 -1.68 0.04 -1.26 -3.14 135.00 127.41 1qck s PRO 19 Ca 0.80 1.37 -0.15 0.00 0.04 0.00 0.00 61.00 63.06 1qck s PRO 19 Cb -0.39 -1.80 0.07 0.00 0.04 0.00 0.00 34.50 32.42 1qck s PRO 19 CO 0.42 -2.20 1.76 -0.24 0.04 0.00 0.00 177.00 176.79 1qck h VAL 20 N -1.55 0.92 0.00 -0.36 3.04 -1.76 -0.43 116.25 116.12 1qck h VAL 20 Ca -0.43 -0.12 0.00 0.00 -1.01 0.00 0.00 66.70 65.14 1qck h VAL 20 Cb 1.25 0.55 0.00 0.00 -2.01 0.00 0.00 31.29 31.08 1qck h VAL 20 CO 0.46 0.06 0.03 0.61 -1.01 0.00 0.00 177.57 177.72 1qck n GLY 21 N -1.22 -0.06 0.15 3.17 0.00 -1.26 -0.44 105.19 105.52 1qck n GLY 21 Ca 0.02 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.10 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 -3.91 1.61 0.02 -1.35 -3.44 113.55 106.48 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 0.06 0.00 0.08 0.00 0.14 0.00 0.00 62.40 62.68 1qck h SER 22 CO 0.00 0.32 0.70 -0.76 -1.14 0.00 0.00 176.83 175.94 1qck s LEU 23 N -6.14 4.38 0.25 5.07 1.43 0.41 -4.92 118.68 119.16 1qck s LEU 23 Ca 0.03 2.84 -0.30 0.00 -1.03 0.00 0.00 54.13 55.67 1qck s LEU 23 Cb 0.07 -3.66 -0.10 0.00 0.03 0.00 0.00 46.19 42.53 1qck s LEU 23 CO 0.74 -0.68 1.48 0.00 0.23 0.00 0.00 176.35 178.12 1qck s ALA 24 N -1.13 3.66 0.00 4.21 0.00 -1.26 -2.04 121.76 125.20 1qck s ALA 24 Ca 0.51 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.85 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 0.57 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1qck n GLY 25 N 2.31 2.49 3.53 0.00 0.00 -1.26 -3.13 105.19 109.12 1qck n GLY 25 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.66 5.26 0.68 -0.61 -1.09 -0.87 -4.78 121.20 117.13 1qck s ILE 26 Ca 0.00 -0.15 -0.03 0.00 -2.23 0.00 0.00 60.65 58.24 1qck s ILE 26 Cb 0.00 -3.74 0.08 0.00 -1.58 0.00 0.00 42.46 37.22 1qck s ILE 26 CO 0.00 -0.02 0.96 -0.83 -1.23 0.00 0.00 174.94 173.81 1qck s GLY 27 N 1.73 1.76 0.27 6.18 0.00 -1.26 -4.70 107.32 111.30 1qck s GLY 27 Ca 0.07 -1.26 -0.01 0.00 0.00 0.00 0.00 44.72 43.52 1qck s GLY 27 CO 0.11 -0.83 1.86 0.83 0.00 0.00 0.00 173.10 175.06 1qck h GLU 28 N -0.45 1.05 -0.36 2.90 4.39 -1.98 -0.45 114.58 119.68 1qck h GLU 28 Ca -0.42 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.16 1qck h GLU 28 Cb 1.29 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 29.69 1qck h GLU 28 CO 0.51 0.69 0.01 0.28 -1.16 0.00 0.00 179.01 179.35 1qck h VAL 29 N 1.08 1.26 -0.31 3.13 2.07 -2.00 -2.86 116.25 118.61 1qck h VAL 29 Ca 0.47 -0.96 -0.05 0.00 0.82 0.00 0.00 66.70 66.97 1qck h VAL 29 Cb 0.34 1.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 1qck h VAL 29 CO -0.22 0.32 -0.04 -0.07 0.02 0.00 0.00 177.57 177.58 1qck h LEU 30 N 0.46 0.46 -1.02 2.57 3.38 -1.70 -2.32 115.31 117.14 1qck h LEU 30 Ca 0.10 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1qck h LEU 30 Cb 0.44 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1qck h LEU 30 CO 0.02 0.56 0.66 1.23 0.09 0.00 0.00 178.44 181.00 1qck h GLY 31 N 0.84 1.44 1.16 0.83 0.00 -0.89 -0.88 103.07 105.58 1qck h GLY 31 Ca 0.10 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 1qck h GLY 31 CO 0.02 0.47 0.27 0.50 0.00 0.00 0.00 176.54 177.79 1qck h LYS 32 N 1.31 1.06 0.17 4.80 6.56 -1.30 0.45 116.57 129.62 1qck h LYS 32 Ca 0.39 -0.19 -0.01 0.00 -1.06 0.00 0.00 60.65 59.77 1qck h LYS 32 Cb -0.07 -0.17 0.00 0.00 -0.57 0.00 0.00 32.23 31.42 1qck h LYS 32 CO -0.11 0.88 -0.08 0.87 -2.06 0.00 0.00 179.45 178.95 1qck h LYS 33 N 1.04 -0.22 -0.97 3.15 1.79 -1.14 0.43 116.57 120.64 1qck h LYS 33 Ca 0.24 0.02 -0.00 0.00 -2.18 0.00 0.00 60.65 58.72 1qck h LYS 33 Cb 0.23 0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.88 1qck h LYS 33 CO -0.02 0.15 0.61 -0.07 -1.08 0.00 0.00 179.45 179.04 1qck h LEU 34 N -0.64 1.15 -0.80 2.94 3.38 -1.11 -1.60 115.31 118.62 1qck h LEU 34 Ca -0.02 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.90 1qck h LEU 34 Cb 0.47 -0.29 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 1qck h LEU 34 CO 0.04 0.87 0.53 -0.08 0.09 0.00 0.00 178.44 179.88 1qck h GLU 35 N 1.33 1.05 0.00 1.13 4.81 0.02 0.10 114.58 123.04 1qck h GLU 35 Ca 0.35 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1qck h GLU 35 Cb -0.09 -0.24 -0.00 0.00 0.63 0.00 0.00 28.75 29.05 1qck h GLU 35 CO -0.07 0.70 -0.01 1.49 -0.73 0.00 0.00 179.01 180.39 1qck h GLU 36 N 1.08 0.00 -0.19 1.92 4.81 -0.00 -1.24 114.58 120.96 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 0.01 0.00 0.54 -0.73 0.00 0.00 179.01 178.76 1qck n ARG 37 N -3.10 1.83 0.00 1.92 5.12 0.23 -4.89 116.66 117.77 1qck n ARG 37 Ca -0.01 -1.25 0.00 0.00 -1.93 0.00 0.00 57.85 54.66 1qck n ARG 37 Cb 0.22 -1.41 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 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 1.18 0.90 2.99 -0.13 0.00 -0.47 -5.02 105.19 104.64 1qck n GLY 38 Ca 0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.00 3.34 0.90 1.61 3.01 -0.43 -4.81 117.46 119.09 1qck n PHE 39 Ca 0.00 -3.32 0.12 0.00 1.01 0.00 0.00 57.45 55.27 1qck n PHE 39 Cb 0.00 -1.21 0.55 0.00 -0.01 0.00 0.00 39.48 38.81 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 1.64 0.00 -4.12 4.37 5.75 -1.26 -3.57 116.55 119.36 1qck n ASP 40 Ca 0.26 0.46 -0.10 0.00 -0.01 0.00 0.00 54.79 55.40 1qck n ASP 40 Cb 0.36 -0.49 -0.10 0.00 -1.03 0.00 0.00 41.12 39.86 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 -2.97 0.69 0.16 0.11 1.02 -1.26 -3.57 119.74 113.92 1qck s LYS 41 Ca 0.13 -1.18 -0.11 0.00 0.02 0.00 0.00 55.97 54.83 1qck s LYS 41 Cb 0.17 -0.06 0.05 0.00 -0.52 0.00 0.00 37.83 37.46 1qck s LYS 41 CO 0.46 -0.04 1.65 0.00 -0.92 0.00 0.00 175.35 176.50 1qck h ALA 42 N 3.33 0.74 0.00 5.17 0.00 -1.66 -2.77 119.26 124.07 1qck h ALA 42 Ca -0.35 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.31 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 0.60 0.50 0.03 0.10 0.00 0.00 0.00 179.25 180.49 1qck h TYR 43 N 0.83 0.00 0.05 0.00 -0.00 -1.88 0.13 116.97 116.09 1qck h TYR 43 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 58.73 58.67 1qck h TYR 43 Cb 0.43 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.14 1qck h TYR 43 CO 0.03 0.00 -1.08 0.28 -0.00 0.00 0.00 178.16 177.39 1qck h VAL 44 N 0.00 1.64 0.06 -0.90 2.07 -1.89 -2.76 116.25 114.46 1qck h VAL 44 Ca 0.00 -3.28 -0.26 0.00 0.82 0.00 0.00 66.70 63.97 1qck h VAL 44 Cb 0.07 2.88 0.01 0.00 -1.52 0.00 0.00 31.29 32.73 1qck h VAL 44 CO 0.00 0.94 -1.10 0.58 0.02 0.00 0.00 177.57 178.02 1qck h VAL 45 N 0.03 1.35 -0.79 2.57 2.07 -0.86 -3.01 116.25 117.61 1qck h VAL 45 Ca -0.06 -2.50 0.01 0.00 0.82 0.00 0.00 66.70 64.98 1qck h VAL 45 Cb 1.84 2.57 -0.04 0.00 -1.52 0.00 0.00 31.29 34.13 1qck h VAL 45 CO 0.16 0.75 0.53 0.25 0.02 0.00 0.00 177.57 179.27 1qck h LEU 46 N 0.26 0.91 -0.55 2.57 5.85 -1.17 -1.81 115.31 121.37 1qck h LEU 46 Ca -0.13 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.62 1qck h LEU 46 Cb 1.76 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.51 1qck h LEU 46 CO 0.20 0.66 0.26 1.23 -0.34 0.00 0.00 178.44 180.45 1qck h GLY 47 N 1.07 0.77 1.01 3.75 0.00 -1.35 -0.07 103.07 108.25 1qck h GLY 47 Ca 0.29 -0.17 0.01 0.00 0.00 0.00 0.00 47.33 47.45 1qck h GLY 47 CO -0.06 0.09 0.49 -1.61 0.00 0.00 0.00 176.54 175.44 1qck h GLN 48 N 0.50 0.97 -0.93 4.80 5.75 -1.27 0.20 115.11 125.14 1qck h GLN 48 Ca 0.25 -0.06 0.01 0.00 -0.15 0.00 0.00 58.65 58.70 1qck h GLN 48 Cb 0.19 -0.22 -0.05 0.00 1.07 0.00 0.00 27.48 28.48 1qck h GLN 48 CO -0.19 0.65 0.61 0.35 -2.65 0.00 0.00 178.83 177.60 1qck h PHE 49 N 1.00 1.17 -0.36 3.99 3.04 -0.97 -1.14 116.94 123.66 1qck h PHE 49 Ca 0.27 0.03 -0.14 0.00 3.98 0.00 0.00 57.97 62.11 1qck h PHE 49 Cb -0.11 -0.39 -0.01 0.00 2.56 0.00 0.00 35.95 37.99 1qck h PHE 49 CO -0.02 0.74 -0.33 -0.07 -2.02 0.00 0.00 178.31 176.61 1qck h LEU 50 N 1.26 0.85 -1.79 0.59 3.38 -0.06 -2.71 115.31 116.82 1qck h LEU 50 Ca 0.34 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1qck h LEU 50 Cb -0.14 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.37 1qck h LEU 50 CO -0.07 1.10 -0.09 0.58 0.09 0.00 0.00 178.44 180.05 1qck h VAL 51 N 0.68 0.33 -0.39 1.22 2.07 0.26 -2.51 116.25 117.90 1qck h VAL 51 Ca 0.07 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.02 1qck h VAL 51 Cb 0.88 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 1qck h VAL 51 CO 0.08 0.09 0.00 0.18 0.02 0.00 0.00 177.57 177.94 1qck n LEU 52 N -3.36 3.10 -4.15 2.57 4.77 -0.52 -4.91 117.00 114.49 1qck n LEU 52 Ca -0.01 -1.56 -0.33 0.00 -0.03 0.00 0.00 56.01 54.07 1qck n LEU 52 Cb 0.27 -0.46 -0.03 0.00 -2.33 0.00 0.00 43.42 40.88 1qck n LEU 52 CO 0.28 0.53 -0.08 0.29 -1.33 0.00 0.00 177.39 177.08 1qck n LYS 53 N 0.58 -3.21 -1.55 3.23 5.02 -0.95 0.70 118.16 121.98 1qck n LYS 53 Ca 0.16 0.38 -0.19 0.00 -2.02 0.00 0.00 58.31 56.64 1qck n LYS 53 Cb 0.60 -4.93 -0.08 0.00 -0.02 0.00 0.00 35.03 30.60 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 -4.41 -1.41 -2.03 1.97 5.02 -1.20 -4.86 118.16 111.23 1qck n LYS 54 Ca -0.03 1.10 -0.40 0.00 -2.02 0.00 0.00 58.31 56.96 1qck n LYS 54 Cb 0.54 -5.45 -0.03 0.00 -0.02 0.00 0.00 35.03 30.07 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 -2.59 5.56 0.24 4.39 -1.08 0.22 -4.84 116.67 118.58 1qck s ASP 55 Ca 0.00 0.77 -0.07 0.00 -0.52 0.00 0.00 52.55 52.73 1qck s ASP 55 Cb 0.00 -2.53 0.22 0.00 -1.46 0.00 0.00 42.92 39.15 1qck s ASP 55 CO 0.00 -2.07 1.88 -0.08 0.52 0.00 0.00 175.17 175.42 1qck h GLU 56 N 13.98 1.28 -0.38 4.34 4.81 -1.89 -0.35 114.58 136.37 1qck h GLU 56 Ca -0.29 -0.13 -0.16 0.00 -0.13 0.00 0.00 59.36 58.65 1qck h GLU 56 Cb 1.16 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 1qck h GLU 56 CO 1.14 0.91 -0.40 -0.44 -0.73 0.00 0.00 179.01 179.48 1qck h ASP 57 N 1.29 1.01 -0.32 1.04 3.32 -1.99 -0.86 116.42 119.92 1qck h ASP 57 Ca 0.33 -0.47 -0.18 0.00 0.02 0.00 0.00 57.03 56.73 1qck h ASP 57 Cb -0.02 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.24 1qck h ASP 57 CO -0.06 1.28 -0.50 -0.07 -1.72 0.00 0.00 179.24 178.17 1qck h LEU 58 N 0.76 0.99 -0.01 1.55 3.38 -1.92 -1.73 115.31 118.34 1qck h LEU 58 Ca 0.06 -0.51 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 1qck h LEU 58 Cb 1.00 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 41.47 1qck h LEU 58 CO 0.10 1.31 0.01 0.15 0.09 0.00 0.00 178.44 180.10 1qck h PHE 59 N 0.70 0.02 -0.58 1.13 3.04 -0.98 0.10 116.94 120.38 1qck h PHE 59 Ca 0.03 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.97 1qck h PHE 59 Cb 1.10 -0.00 -0.03 0.00 2.56 0.00 0.00 35.95 39.58 1qck h PHE 59 CO 0.07 0.12 0.32 0.00 -2.02 0.00 0.00 178.31 176.81 1qck h ARG 60 N -0.10 0.80 -0.71 1.11 3.08 -1.14 -0.78 114.38 116.65 1qck h ARG 60 Ca 0.00 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 59.89 1qck h ARG 60 Cb 0.11 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.98 1qck h ARG 60 CO -0.00 0.61 0.17 1.49 -1.07 0.00 0.00 179.97 181.17 1qck h GLU 61 N 0.78 1.13 -0.07 0.04 4.81 -1.17 0.09 114.58 120.20 1qck h GLU 61 Ca 0.20 -0.27 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1qck h GLU 61 Cb 0.04 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.27 1qck h GLU 61 CO -0.03 1.00 0.03 2.35 -0.73 0.00 0.00 179.01 181.63 1qck h TRP 62 N 1.07 0.10 -0.11 0.92 7.01 -0.26 0.43 115.95 125.12 1qck h TRP 62 Ca 0.22 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.19 1qck h TRP 62 Cb 0.38 -0.03 -0.00 0.00 -2.10 0.00 0.00 29.16 27.41 1qck h TRP 62 CO 0.03 0.18 -0.04 1.25 -2.79 0.00 0.00 178.44 177.07 1qck h LEU 63 N -0.02 0.22 -0.32 0.65 5.85 -1.01 0.33 115.31 121.01 1qck h LEU 63 Ca 0.02 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 1qck h LEU 63 Cb 0.12 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 1qck h LEU 63 CO -0.00 0.55 0.12 0.50 -0.34 0.00 0.00 178.44 179.27 1qck h LYS 64 N -0.12 0.48 -0.01 1.25 3.64 -0.95 -0.26 116.57 120.60 1qck h LYS 64 Ca 0.03 -0.09 -0.09 0.00 -1.27 0.00 0.00 60.65 59.22 1qck h LYS 64 Cb 0.46 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1qck h LYS 64 CO 0.01 0.50 -0.44 0.22 -2.27 0.00 0.00 179.45 177.47 1qck h ASP 65 N 0.36 0.02 0.36 4.20 1.82 -0.11 0.72 116.42 123.78 1qck h ASP 65 Ca 0.10 -0.01 -0.27 0.00 -0.39 0.00 0.00 57.03 56.47 1qck h ASP 65 Cb 0.20 -0.00 0.01 0.00 0.68 0.00 0.00 39.33 40.22 1qck h ASP 65 CO -0.01 0.45 -1.14 0.74 -1.61 0.00 0.00 179.24 177.67 1qck h THR 66 N 0.01 1.39 0.00 2.25 2.02 0.06 -3.42 112.91 115.22 1qck h THR 66 Ca -0.00 -2.64 0.00 0.00 0.77 0.00 0.00 66.41 64.53 1qck h THR 66 Cb 0.78 2.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.87 1qck h THR 66 CO 0.06 0.79 -0.48 0.00 0.37 0.00 0.00 175.52 176.26 1qck n GLY 68 N 1.69 1.37 3.48 0.00 0.00 0.25 -5.02 105.19 106.96 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 -1.07 -1.46 -1.99 4.61 0.00 -1.25 -4.92 120.51 114.42 1qck n ALA 69 Ca 0.00 -0.29 -0.24 0.00 0.00 0.00 0.00 53.44 52.91 1qck n ALA 69 Cb 0.00 -1.89 0.05 0.00 0.00 0.00 0.00 19.45 17.61 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 -1.59 5.14 0.45 0.00 0.02 -1.26 -4.56 114.94 113.14 1qck s ASN 70 Ca 0.65 0.34 0.11 0.00 -1.02 0.00 0.00 52.86 52.95 1qck s ASN 70 Cb -0.33 -1.15 1.02 0.00 0.02 0.00 0.00 41.25 40.81 1qck s ASN 70 CO 0.58 -1.32 2.07 0.00 0.02 0.00 0.00 177.10 178.45 1qck h ALA 71 N -0.27 1.79 -0.20 0.60 0.00 -1.98 -1.03 119.26 118.17 1qck h ALA 71 Ca -0.44 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 54.21 1qck h ALA 71 Cb 1.30 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.01 1qck h ALA 71 CO 0.58 0.17 -0.71 0.87 0.00 0.00 0.00 179.25 180.16 1qck h LYS 72 N 0.26 0.83 -0.42 0.00 1.79 -2.00 -2.51 116.57 114.52 1qck h LYS 72 Ca 0.07 -0.63 -0.13 0.00 -2.18 0.00 0.00 60.65 57.78 1qck h LYS 72 Cb 0.04 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.80 1qck h LYS 72 CO -0.01 1.24 -0.26 1.96 -1.08 0.00 0.00 179.45 181.31 1qck h GLN 73 N 0.59 0.88 -0.28 3.15 1.08 -1.72 -2.97 115.11 115.84 1qck h GLN 73 Ca -0.03 -0.39 -0.12 0.00 -1.45 0.00 0.00 58.65 56.66 1qck h GLN 73 Cb 1.34 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.73 1qck h GLN 73 CO 0.15 1.04 -0.34 0.77 -0.95 0.00 0.00 178.83 179.50 1qck h SER 74 N 0.76 0.62 -0.82 1.46 0.02 -1.22 -2.81 113.55 111.56 1qck h SER 74 Ca 0.09 -0.25 0.01 0.00 -0.84 0.00 0.00 61.79 60.80 1qck h SER 74 Cb 0.81 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.14 1qck h SER 74 CO 0.07 0.91 0.54 0.03 -1.14 0.00 0.00 176.83 177.24 1qck h ARG 75 N 0.51 1.07 -0.49 3.45 2.47 -1.30 -0.99 114.38 119.10 1qck h ARG 75 Ca 0.06 -0.06 -0.13 0.00 -1.26 0.00 0.00 59.98 58.58 1qck h ARG 75 Cb 0.82 -0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 28.89 1qck h ARG 75 CO 0.07 0.71 -0.21 -0.44 0.56 0.00 0.00 179.97 180.66 1qck h ASP 76 N 1.10 1.03 -0.38 7.04 3.32 -1.37 -2.44 116.42 124.73 1qck h ASP 76 Ca 0.30 -0.39 -0.14 0.00 0.02 0.00 0.00 57.03 56.82 1qck h ASP 76 Cb -0.12 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.14 1qck h ASP 76 CO -0.07 1.19 -0.33 0.00 -1.72 0.00 0.00 179.24 178.32 1qck h PHE 78 N 0.70 -1.28 -0.36 0.00 3.57 -1.10 0.30 116.94 118.77 1qck h PHE 78 Ca 0.07 -0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 1qck h PHE 78 Cb 0.91 0.44 -0.02 0.00 2.79 0.00 0.00 35.95 40.08 1qck h PHE 78 CO 0.06 -0.75 0.06 0.78 -2.23 0.00 0.00 178.31 176.23 1qck h GLY 79 N -1.26 0.58 0.59 2.40 0.00 -1.49 0.36 103.07 104.25 1qck h GLY 79 Ca -0.12 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 1qck h GLY 79 CO 0.16 0.30 -0.02 0.00 0.00 0.00 0.00 176.54 176.98 1qck h LEU 81 N -0.36 0.97 -0.91 0.00 3.38 -0.28 -2.01 115.31 116.10 1qck h LEU 81 Ca 0.01 -0.46 0.01 0.00 0.09 0.00 0.00 57.88 57.53 1qck h LEU 81 Cb 0.48 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.91 1qck h LEU 81 CO 0.01 1.25 0.60 -0.09 0.09 0.00 0.00 178.44 180.30 1qck h ARG 82 N 0.73 1.19 -0.29 1.13 2.43 -0.26 -2.06 114.38 117.24 1qck h ARG 82 Ca 0.05 -0.07 -0.15 0.00 -0.81 0.00 0.00 59.98 59.00 1qck h ARG 82 Cb 1.00 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 30.28 1qck h ARG 82 CO 0.10 0.79 -0.43 0.93 -1.51 0.00 0.00 179.97 179.84 1qck h GLU 83 N 1.22 0.73 -0.76 0.20 4.39 -0.92 -2.79 114.58 116.66 1qck h GLU 83 Ca 0.33 -0.40 -0.00 0.00 0.34 0.00 0.00 59.36 59.63 1qck h GLU 83 Cb -0.14 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.50 1qck h GLU 83 CO -0.07 1.02 0.46 2.35 -1.16 0.00 0.00 179.01 181.61 1qck h TRP 84 N 0.59 1.01 -0.87 4.33 7.01 -0.89 -2.24 115.95 124.88 1qck h TRP 84 Ca 0.04 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.01 1qck h TRP 84 Cb 0.98 -0.33 -0.04 0.00 -2.10 0.00 0.00 29.16 27.67 1qck h TRP 84 CO 0.05 0.67 0.44 0.00 -2.79 0.00 0.00 178.44 176.82 1qck h ASP 86 N 1.24 0.13 0.17 0.00 3.32 -1.13 1.44 116.42 121.58 1qck h ASP 86 Ca 0.30 -0.00 -0.35 0.00 0.02 0.00 0.00 57.03 57.00 1qck h ASP 86 Cb 0.08 -0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 1qck h ASP 86 CO -0.04 0.09 -2.06 0.00 -1.72 0.00 0.00 179.24 175.50 1qck n ALA 87 N -2.54 1.17 0.70 3.45 0.00 -0.64 -4.48 120.51 118.16 1qck n ALA 87 Ca 0.02 -0.78 0.08 0.00 0.00 0.00 0.00 53.44 52.75 1qck n ALA 87 Cb 0.21 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.09 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 -3.29 0.00 1.03 0.00 3.72 0.81 -5.12 117.46 114.61 1qck n PHE 88 Ca -0.31 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.21 1qck n PHE 88 Cb 1.05 0.00 0.12 0.00 -0.94 0.00 0.00 39.48 39.71 1qck n PHE 88 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60