#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 -1.32 2.03 -1.04 -1.26 -4.91 114.28 107.79 1qck n THR 2 Ca 0.00 -0.21 -0.30 0.00 -2.04 0.00 0.00 64.05 61.50 1qck n THR 2 Cb 0.00 0.46 0.12 0.00 -1.82 0.00 0.00 70.33 69.09 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 -2.14 2.80 1.17 12.58 -4.23 -1.26 -5.01 115.64 119.56 1qck s THR 3 Ca 0.34 0.26 -0.13 0.00 -1.18 0.00 0.00 61.69 60.98 1qck s THR 3 Cb 0.21 -2.83 0.29 0.00 1.34 0.00 0.00 72.50 71.50 1qck s THR 3 CO 0.39 -0.34 1.03 -0.94 -0.54 0.00 0.00 174.62 174.21 1qck s SER 4 N -3.58 0.96 0.67 3.99 1.04 -1.26 -4.80 113.70 110.72 1qck s SER 4 Ca 0.62 1.44 0.41 0.00 0.48 0.00 0.00 55.95 58.90 1qck s SER 4 Cb -0.17 -2.23 2.21 0.00 0.10 0.00 0.00 66.02 65.93 1qck s SER 4 CO 0.56 -4.20 2.24 0.06 0.98 0.00 0.00 173.24 172.88 1qck h GLN 5 N -2.62 0.00 -0.78 4.02 -0.00 -1.97 -1.52 115.11 112.23 1qck h GLN 5 Ca -0.62 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.02 1qck h GLN 5 Cb 1.34 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 28.78 1qck h GLN 5 CO 0.52 0.00 0.44 0.87 -0.00 0.00 0.00 178.83 180.66 1qck h LYS 6 N 0.00 1.08 0.40 0.06 1.57 -1.97 0.14 116.57 117.84 1qck h LYS 6 Ca 0.00 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 1qck h LYS 6 Cb 0.20 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1qck h LYS 6 CO 0.00 0.78 -0.19 1.25 -0.57 0.00 0.00 179.45 180.71 1qck h HIS 7 N 1.09 -0.50 -0.21 -1.35 2.76 -1.58 0.81 115.15 116.16 1qck h HIS 7 Ca 0.28 -0.01 -0.14 0.00 -2.20 0.00 0.00 60.37 58.30 1qck h HIS 7 Cb 0.00 0.17 -0.01 0.00 1.55 0.00 0.00 27.41 29.12 1qck h HIS 7 CO 0.01 -0.31 -0.45 0.00 -1.30 0.00 0.00 177.93 175.88 1qck h ARG 8 N -0.54 0.52 -0.37 5.26 3.08 -1.66 -2.72 114.38 117.96 1qck h ARG 8 Ca -0.05 -0.28 -0.16 0.00 0.07 0.00 0.00 59.98 59.55 1qck h ARG 8 Cb 0.41 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 1qck h ARG 8 CO 0.09 0.87 -0.41 -0.44 -1.07 0.00 0.00 179.97 179.00 1qck h ASP 9 N 0.42 1.00 -0.50 7.04 3.32 -0.55 -2.70 116.42 124.45 1qck h ASP 9 Ca 0.03 -0.47 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 1qck h ASP 9 Cb 0.95 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 40.20 1qck h ASP 9 CO 0.08 1.27 0.27 0.15 -1.72 0.00 0.00 179.24 179.30 1qck h PHE 10 N 0.75 0.68 -0.11 4.55 3.57 0.75 -0.94 116.94 126.20 1qck h PHE 10 Ca 0.05 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.54 1qck h PHE 10 Cb 1.01 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.53 1qck h PHE 10 CO 0.06 0.51 0.00 1.33 -2.23 0.00 0.00 178.31 177.98 1qck n VAL 11 N -4.65 0.33 0.35 1.41 0.24 -1.04 -3.28 118.33 111.69 1qck n VAL 11 Ca 0.02 -0.21 0.05 0.00 -2.04 0.00 0.00 64.34 62.17 1qck n VAL 11 Cb 0.09 -0.20 -0.07 0.00 -1.47 0.00 0.00 33.84 32.18 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 -0.00 3.10 -3.40 2.33 0.00 -0.37 -4.94 120.51 117.23 1qck n ALA 12 Ca 0.05 -0.29 -0.16 0.00 0.00 0.00 0.00 53.44 53.03 1qck n ALA 12 Cb 0.27 -0.39 -0.06 0.00 0.00 0.00 0.00 19.45 19.27 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 -2.26 0.98 0.82 0.00 -1.05 -1.15 -5.08 118.70 110.96 1qck s GLU 13 Ca 0.02 0.01 -0.17 0.00 -0.15 0.00 0.00 54.97 54.67 1qck s GLU 13 Cb 0.08 0.45 -0.15 0.00 -0.44 0.00 0.00 34.13 34.07 1qck s GLU 13 CO 0.45 -0.32 -0.54 -2.30 0.95 0.00 0.00 175.26 173.50 1qck n PRO 14 N 0.81 0.00 0.08 -4.83 -0.02 -1.26 -4.82 135.00 124.96 1qck n PRO 14 Ca -0.19 0.00 0.11 0.00 -2.02 0.00 0.00 63.50 61.40 1qck n PRO 14 Cb 0.58 -1.01 -0.00 0.00 -0.02 0.00 0.00 33.50 33.05 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 2.10 0.54 0.00 -0.52 0.00 -1.26 -5.02 117.12 112.95 1qck n MET 15 Ca 0.02 0.06 0.00 0.00 0.00 0.00 0.00 57.70 57.78 1qck n MET 15 Cb 0.53 -1.74 0.00 0.00 0.00 0.00 0.00 33.22 32.00 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 1.23 2.46 1.94 3.17 0.00 -1.26 -2.23 105.19 110.50 1qck n GLY 16 Ca 0.00 -0.34 -0.19 0.00 0.00 0.00 0.00 46.02 45.48 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 13.75 2.18 -1.75 1.61 1.02 -1.26 -4.79 120.64 131.40 1qck n GLU 17 Ca 0.00 -3.09 -0.38 0.00 -0.02 0.00 0.00 57.16 53.67 1qck n GLU 17 Cb 0.00 -2.09 0.05 0.00 -0.02 0.00 0.00 31.44 29.39 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 -3.32 2.88 0.82 3.49 -0.14 -0.95 -4.94 119.74 117.58 1qck s LYS 18 Ca 0.54 2.19 -0.12 0.00 -1.36 0.00 0.00 55.97 57.23 1qck s LYS 18 Cb 0.46 -2.09 0.09 0.00 -1.68 0.00 0.00 37.83 34.61 1qck s LYS 18 CO 0.07 -1.38 1.15 -1.25 -0.76 0.00 0.00 175.35 173.18 1qck s PRO 19 N -3.10 1.68 0.14 -1.68 0.04 -1.26 -4.72 135.00 126.10 1qck s PRO 19 Ca 0.76 1.50 -0.18 0.00 0.04 0.00 0.00 61.00 63.12 1qck s PRO 19 Cb -0.40 -1.81 0.01 0.00 0.04 0.00 0.00 34.50 32.34 1qck s PRO 19 CO 0.45 -2.13 1.73 -0.24 0.04 0.00 0.00 177.00 176.86 1qck h VAL 20 N -1.21 0.87 0.00 -0.36 3.04 -1.79 -0.31 116.25 116.50 1qck h VAL 20 Ca -0.44 -0.05 0.00 0.00 -1.01 0.00 0.00 66.70 65.19 1qck h VAL 20 Cb 1.26 0.71 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 1qck h VAL 20 CO 0.46 0.03 0.06 0.61 -1.01 0.00 0.00 177.57 177.72 1qck n GLY 21 N -1.20 -0.13 0.18 3.17 0.00 -1.26 -0.02 105.19 105.93 1qck n GLY 21 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.11 1qck n GLY 21 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1qck h SER 22 N 0.00 0.00 -3.89 1.61 0.87 -1.32 -3.44 113.55 107.38 1qck h SER 22 Ca 0.00 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.03 1qck h SER 22 Cb 0.11 0.00 0.08 0.00 -0.44 0.00 0.00 62.40 62.15 1qck h SER 22 CO 0.00 0.08 0.68 -0.76 -0.53 0.00 0.00 176.83 176.29 1qck s LEU 23 N -6.01 4.40 0.21 2.23 1.43 0.97 -4.93 118.68 116.98 1qck s LEU 23 Ca 0.04 2.79 -0.31 0.00 -1.03 0.00 0.00 54.13 55.63 1qck s LEU 23 Cb 0.07 -3.65 -0.10 0.00 0.03 0.00 0.00 46.19 42.53 1qck s LEU 23 CO 0.71 -0.63 1.48 0.00 0.23 0.00 0.00 176.35 178.14 1qck s ALA 24 N -1.13 3.67 0.00 4.21 0.00 -1.26 -2.27 121.76 124.99 1qck s ALA 24 Ca 0.50 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.79 1qck s ALA 24 Cb -0.42 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.13 1qck s ALA 24 CO 0.56 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.98 1qck n GLY 25 N 2.78 3.41 3.55 0.00 0.00 -1.26 -3.21 105.19 110.46 1qck n GLY 25 Ca 0.09 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 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 5.26 0.69 -0.61 -1.09 -0.96 -4.82 121.20 116.72 1qck s ILE 26 Ca 0.00 -0.08 0.01 0.00 -2.23 0.00 0.00 60.65 58.35 1qck s ILE 26 Cb 0.00 -3.63 0.11 0.00 -1.58 0.00 0.00 42.46 37.36 1qck s ILE 26 CO 0.00 0.09 0.95 -0.83 -1.23 0.00 0.00 174.94 173.92 1qck s GLY 27 N 1.73 1.76 0.26 6.18 0.00 -1.26 -4.67 107.32 111.32 1qck s GLY 27 Ca 0.06 -1.77 -0.03 0.00 0.00 0.00 0.00 44.72 42.98 1qck s GLY 27 CO 0.10 -1.24 1.90 0.83 0.00 0.00 0.00 173.10 174.69 1qck h GLU 28 N -0.38 1.20 -0.18 2.90 5.08 -1.98 0.39 114.58 121.61 1qck h GLU 28 Ca -0.36 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 57.91 1qck h GLU 28 Cb 1.27 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.24 1qck h GLU 28 CO 0.41 0.79 0.03 0.28 -1.00 0.00 0.00 179.01 179.53 1qck h VAL 29 N 1.23 1.22 -0.65 3.13 2.07 -2.00 -1.85 116.25 119.40 1qck h VAL 29 Ca 0.42 -0.71 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 1qck h VAL 29 Cb 0.08 1.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 1qck h VAL 29 CO -0.15 0.22 0.10 -0.07 0.02 0.00 0.00 177.57 177.69 1qck h LEU 30 N 0.10 1.02 -0.94 2.57 3.38 -1.78 -2.73 115.31 116.93 1qck h LEU 30 Ca 0.06 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.80 1qck h LEU 30 Cb 0.30 -0.27 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 1qck h LEU 30 CO 0.00 1.01 0.62 1.23 0.09 0.00 0.00 178.44 181.40 1qck h GLY 31 N 1.04 1.32 1.01 0.83 0.00 -0.04 -2.35 103.07 104.89 1qck h GLY 31 Ca 0.20 -0.49 0.01 0.00 0.00 0.00 0.00 47.33 47.04 1qck h GLY 31 CO 0.01 0.49 0.64 1.70 0.00 0.00 0.00 176.54 179.38 1qck h LYS 32 N 1.27 1.32 -0.22 4.80 3.64 -1.02 -0.16 116.57 126.20 1qck h LYS 32 Ca 0.34 -0.09 -0.05 0.00 -1.27 0.00 0.00 60.65 59.58 1qck h LYS 32 Cb -0.15 -0.29 -0.01 0.00 -0.41 0.00 0.00 32.23 31.38 1qck h LYS 32 CO -0.07 0.89 -0.04 0.87 -2.27 0.00 0.00 179.45 178.82 1qck h LYS 33 N 1.35 0.43 -0.73 1.90 1.57 -1.37 -2.14 116.57 117.58 1qck h LYS 33 Ca 0.36 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 1qck h LYS 33 Cb -0.13 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.12 1qck h LYS 33 CO -0.07 0.65 0.31 -0.07 -0.57 0.00 0.00 179.45 179.70 1qck h LEU 34 N 0.16 0.99 -0.93 2.94 3.38 -1.15 -2.30 115.31 118.40 1qck h LEU 34 Ca 0.06 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.87 1qck h LEU 34 Cb 0.49 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 1qck h LEU 34 CO 0.02 0.88 0.60 -0.33 0.09 0.00 0.00 178.44 179.70 1qck h GLU 35 N 1.04 1.24 0.00 1.13 5.08 -0.92 0.11 114.58 122.26 1qck h GLU 35 Ca 0.24 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1qck h GLU 35 Cb 0.19 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1qck h GLU 35 CO -0.02 0.83 0.00 1.49 -1.00 0.00 0.00 179.01 180.31 1qck h GLU 36 N 1.27 0.00 -0.24 2.33 4.81 -0.95 -1.34 114.58 120.45 1qck h GLU 36 Ca 0.34 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.57 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 -0.07 0.00 0.00 0.54 -0.73 0.00 0.00 179.01 178.75 1qck n ARG 37 N -3.03 1.86 0.00 1.92 1.74 0.32 -4.89 116.66 114.57 1qck n ARG 37 Ca -0.01 -1.30 0.00 0.00 -0.77 0.00 0.00 57.85 55.78 1qck n ARG 37 Cb 0.22 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 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 1.17 0.91 3.03 -0.13 0.00 -0.51 -5.02 105.19 104.64 1qck n GLY 38 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.88 3.13 0.73 1.61 3.01 -0.71 -4.79 117.46 118.56 1qck n PHE 39 Ca 0.00 -3.09 0.13 0.00 1.01 0.00 0.00 57.45 55.49 1qck n PHE 39 Cb 0.00 -1.28 0.48 0.00 -0.01 0.00 0.00 39.48 38.67 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 0.42 -3.33 4.37 5.75 -1.26 -3.82 116.55 120.30 1qck n ASP 40 Ca 0.26 0.55 -0.26 0.00 -0.01 0.00 0.00 54.79 55.33 1qck n ASP 40 Cb 0.35 -0.66 -0.08 0.00 -1.03 0.00 0.00 41.12 39.70 1qck n ASP 40 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1qck n LYS 41 N -1.91 1.31 0.00 0.11 4.76 -1.26 -4.15 118.16 117.03 1qck n LYS 41 Ca 0.05 -3.77 0.00 0.00 -2.87 0.00 0.00 58.31 51.73 1qck n LYS 41 Cb 0.35 -1.67 0.00 0.00 -1.84 0.00 0.00 35.03 31.87 1qck n LYS 41 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1qck n ALA 42 N 1.41 0.00 0.25 7.82 0.00 -1.26 -2.48 120.51 126.26 1qck n ALA 42 Ca 0.25 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.82 1qck n ALA 42 Cb 0.47 0.00 0.71 0.00 0.00 0.00 0.00 19.45 20.64 1qck n ALA 42 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.50 177.60 1qck h TYR 43 N 0.00 0.00 0.07 0.00 -0.00 -1.87 0.46 116.97 115.63 1qck h TYR 43 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 58.73 58.49 1qck h TYR 43 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.72 1qck h TYR 43 CO 0.00 0.00 -1.10 0.28 -0.00 0.00 0.00 178.16 177.34 1qck h VAL 44 N 0.00 1.56 -0.03 -0.90 2.07 -1.89 -2.79 116.25 114.27 1qck h VAL 44 Ca 0.00 -3.09 -0.25 0.00 0.82 0.00 0.00 66.70 64.19 1qck h VAL 44 Cb 0.38 2.83 0.01 0.00 -1.52 0.00 0.00 31.29 32.99 1qck h VAL 44 CO 0.00 0.89 -0.96 0.58 0.02 0.00 0.00 177.57 178.10 1qck h VAL 45 N 0.06 1.31 -0.69 2.57 2.07 -0.23 -2.99 116.25 118.35 1qck h VAL 45 Ca -0.08 -2.23 0.01 0.00 0.82 0.00 0.00 66.70 65.21 1qck h VAL 45 Cb 1.83 2.30 -0.03 0.00 -1.52 0.00 0.00 31.29 33.87 1qck h VAL 45 CO 0.17 0.69 0.46 0.25 0.02 0.00 0.00 177.57 179.16 1qck h LEU 46 N 0.38 0.79 -0.80 2.57 5.85 -1.25 -1.72 115.31 121.14 1qck h LEU 46 Ca -0.10 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.61 1qck h LEU 46 Cb 1.61 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.40 1qck h LEU 46 CO 0.19 0.57 0.53 1.23 -0.34 0.00 0.00 178.44 180.62 1qck h GLY 47 N 0.93 1.13 1.01 3.75 0.00 -1.35 -1.96 103.07 106.58 1qck h GLY 47 Ca 0.25 -0.42 0.01 0.00 0.00 0.00 0.00 47.33 47.17 1qck h GLY 47 CO -0.06 0.41 0.59 -1.61 0.00 0.00 0.00 176.54 175.88 1qck h GLN 48 N 1.09 1.18 -1.01 4.80 5.75 -1.22 0.22 115.11 125.91 1qck h GLN 48 Ca 0.29 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.74 1qck h GLN 48 Cb -0.13 -0.27 -0.05 0.00 1.07 0.00 0.00 27.48 28.11 1qck h GLN 48 CO -0.06 0.78 0.67 0.35 -2.65 0.00 0.00 178.83 177.92 1qck h PHE 49 N 1.22 1.27 -0.37 3.99 3.57 -1.16 -1.21 116.94 124.25 1qck h PHE 49 Ca 0.33 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.74 1qck h PHE 49 Cb -0.14 -0.43 -0.01 0.00 2.79 0.00 0.00 35.95 38.16 1qck h PHE 49 CO -0.01 0.80 -0.27 -0.07 -2.23 0.00 0.00 178.31 176.53 1qck h LEU 50 N 1.36 0.78 -1.85 0.59 3.38 -0.69 -2.58 115.31 116.31 1qck h LEU 50 Ca 0.37 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1qck h LEU 50 Cb -0.15 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.38 1qck h LEU 50 CO -0.08 1.01 -0.14 0.58 0.09 0.00 0.00 178.44 179.90 1qck h VAL 51 N 0.65 0.77 -0.39 1.22 2.07 0.15 -2.01 116.25 118.72 1qck h VAL 51 Ca 0.08 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.06 1qck h VAL 51 Cb 0.79 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 1qck h VAL 51 CO 0.07 0.13 0.00 0.18 0.02 0.00 0.00 177.57 177.97 1qck n LEU 52 N -3.90 3.03 -4.07 2.57 4.77 -0.69 -4.91 117.00 113.80 1qck n LEU 52 Ca -0.02 -1.53 -0.33 0.00 -0.03 0.00 0.00 56.01 54.10 1qck n LEU 52 Cb 0.23 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1qck n LEU 52 CO 0.32 0.53 0.05 0.29 -1.33 0.00 0.00 177.39 177.24 1qck n LYS 53 N 0.57 -4.39 -1.46 3.23 5.02 -0.76 -0.06 118.16 120.31 1qck n LYS 53 Ca 0.15 0.49 -0.16 0.00 -2.02 0.00 0.00 58.31 56.77 1qck n LYS 53 Cb 0.58 -5.31 -0.07 0.00 -0.02 0.00 0.00 35.03 30.21 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 -4.54 -1.46 -2.03 1.97 5.02 -1.16 -4.87 118.16 111.09 1qck n LYS 54 Ca 0.06 1.01 -0.42 0.00 -2.02 0.00 0.00 58.31 56.94 1qck n LYS 54 Cb 0.51 -5.33 -0.03 0.00 -0.02 0.00 0.00 35.03 30.16 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 -2.46 5.78 0.20 4.39 1.01 0.91 -4.85 116.67 121.66 1qck s ASP 55 Ca 0.00 1.07 -0.09 0.00 0.71 0.00 0.00 52.55 54.25 1qck s ASP 55 Cb 0.00 -2.53 0.14 0.00 1.01 0.00 0.00 42.92 41.55 1qck s ASP 55 CO 0.00 -1.84 1.78 -0.08 0.21 0.00 0.00 175.17 175.24 1qck h GLU 56 N 13.21 1.12 -0.44 8.23 4.81 -1.89 -0.33 114.58 139.29 1qck h GLU 56 Ca -0.31 -0.19 -0.14 0.00 -0.13 0.00 0.00 59.36 58.59 1qck h GLU 56 Cb 1.16 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.34 1qck h GLU 56 CO 1.07 0.90 -0.27 -0.44 -0.73 0.00 0.00 179.01 179.54 1qck h ASP 57 N 1.08 0.99 -0.26 1.04 3.32 -1.99 -1.12 116.42 119.49 1qck h ASP 57 Ca 0.26 -0.40 -0.16 0.00 0.02 0.00 0.00 57.03 56.75 1qck h ASP 57 Cb 0.18 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1qck h ASP 57 CO -0.03 1.19 -0.42 -0.07 -1.72 0.00 0.00 179.24 178.20 1qck h LEU 58 N 0.81 0.87 -0.34 1.55 3.38 -1.91 -2.44 115.31 117.23 1qck h LEU 58 Ca 0.09 -0.41 -0.02 0.00 0.09 0.00 0.00 57.88 57.64 1qck h LEU 58 Cb 0.85 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 1qck h LEU 58 CO 0.08 1.17 0.15 0.15 0.09 0.00 0.00 178.44 180.08 1qck h PHE 59 N 0.66 0.50 -0.23 1.13 3.04 -0.89 -1.05 116.94 120.10 1qck h PHE 59 Ca 0.05 -0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1qck h PHE 59 Cb 0.99 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 39.33 1qck h PHE 59 CO 0.06 0.46 0.15 0.00 -2.02 0.00 0.00 178.31 176.96 1qck h ARG 60 N 0.41 0.31 -0.71 1.11 3.08 -1.11 -0.59 114.38 116.87 1qck h ARG 60 Ca 0.12 -0.02 -0.07 0.00 0.07 0.00 0.00 59.98 60.08 1qck h ARG 60 Cb 0.15 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 1qck h ARG 60 CO -0.01 0.20 0.18 1.49 -1.07 0.00 0.00 179.97 180.76 1qck h GLU 61 N 0.31 1.12 -0.00 0.04 4.81 -1.35 -1.34 114.58 118.17 1qck h GLU 61 Ca 0.08 -0.26 -0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1qck h GLU 61 Cb -0.04 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 29.19 1qck h GLU 61 CO -0.02 0.98 0.00 2.35 -0.73 0.00 0.00 179.01 181.59 1qck h TRP 62 N 1.07 0.00 -0.23 0.92 7.01 -0.73 0.36 115.95 124.36 1qck h TRP 62 Ca 0.22 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.18 1qck h TRP 62 Cb 0.36 -0.00 -0.01 0.00 -2.10 0.00 0.00 29.16 27.41 1qck h TRP 62 CO 0.03 0.10 -0.02 1.25 -2.79 0.00 0.00 178.44 177.01 1qck h LEU 63 N -0.09 0.41 -0.24 0.65 5.85 -1.02 0.50 115.31 121.37 1qck h LEU 63 Ca 0.00 -0.33 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 1qck h LEU 63 Cb 0.10 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.00 1qck h LEU 63 CO -0.00 0.64 0.05 0.50 -0.34 0.00 0.00 178.44 179.30 1qck h LYS 64 N 0.17 0.38 -0.07 1.25 3.64 -1.21 0.11 116.57 120.84 1qck h LYS 64 Ca 0.06 -0.09 -0.10 0.00 -1.27 0.00 0.00 60.65 59.24 1qck h LYS 64 Cb 0.44 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 1qck h LYS 64 CO 0.02 0.49 -0.43 0.22 -2.27 0.00 0.00 179.45 177.48 1qck h ASP 65 N 0.21 0.16 0.25 4.20 1.82 -0.23 0.67 116.42 123.48 1qck h ASP 65 Ca 0.07 -0.07 -0.28 0.00 -0.39 0.00 0.00 57.03 56.37 1qck h ASP 65 Cb 0.29 -0.04 0.02 0.00 0.68 0.00 0.00 39.33 40.27 1qck h ASP 65 CO 0.00 0.57 -1.18 0.74 -1.61 0.00 0.00 179.24 177.76 1qck h THR 66 N 0.12 1.34 0.00 2.25 2.02 0.32 -3.42 112.91 115.55 1qck h THR 66 Ca 0.01 -2.55 0.00 0.00 0.77 0.00 0.00 66.41 64.64 1qck h THR 66 Cb 0.82 2.67 0.00 0.00 -1.74 0.00 0.00 68.15 69.90 1qck h THR 66 CO 0.06 0.77 -0.53 0.00 0.37 0.00 0.00 175.52 176.19 1qck n GLY 68 N 1.54 1.12 3.47 0.00 0.00 0.23 -5.01 105.19 106.53 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 -1.65 -1.56 -1.95 4.61 0.00 -1.25 -4.91 120.51 113.80 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 -1.87 0.05 0.00 0.00 0.00 0.00 19.45 17.64 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 -1.56 5.01 0.48 0.00 0.01 -1.26 -4.51 114.94 113.10 1qck s ASN 70 Ca 0.65 0.24 0.13 0.00 -0.71 0.00 0.00 52.86 53.17 1qck s ASN 70 Cb -0.33 -0.99 1.11 0.00 0.41 0.00 0.00 41.25 41.45 1qck s ASN 70 CO 0.59 -1.40 2.11 0.00 -1.51 0.00 0.00 177.10 176.89 1qck h ALA 71 N -0.31 1.89 -0.13 0.60 0.00 -1.98 -2.30 119.26 117.04 1qck h ALA 71 Ca -0.43 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.23 1qck h ALA 71 Cb 1.31 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 19.04 1qck h ALA 71 CO 0.57 0.10 -0.83 1.57 0.00 0.00 0.00 179.25 180.66 1qck h LYS 72 N 0.22 0.79 -0.22 0.00 2.10 -2.01 -3.06 116.57 114.38 1qck h LYS 72 Ca 0.06 -0.68 -0.08 0.00 -2.00 0.00 0.00 60.65 57.95 1qck h LYS 72 Cb -0.02 0.15 -0.01 0.00 -0.90 0.00 0.00 32.23 31.45 1qck h LYS 72 CO -0.01 1.27 -0.22 1.96 -2.00 0.00 0.00 179.45 180.45 1qck h GLN 73 N 0.52 0.40 -0.37 0.07 4.20 -1.77 -2.80 115.11 115.36 1qck h GLN 73 Ca -0.07 -0.13 -0.13 0.00 0.06 0.00 0.00 58.65 58.38 1qck h GLN 73 Cb 1.46 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 29.20 1qck h GLN 73 CO 0.17 0.60 -0.28 0.66 -0.67 0.00 0.00 178.83 179.31 1qck h SER 74 N 0.36 0.79 -0.83 1.46 4.64 -1.43 -2.86 113.55 115.69 1qck h SER 74 Ca 0.06 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1qck h SER 74 Cb 0.59 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 62.42 1qck h SER 74 CO 0.04 1.03 0.52 0.03 -0.87 0.00 0.00 176.83 177.58 1qck h ARG 75 N 0.66 1.11 -0.47 4.77 3.08 -1.39 -0.78 114.38 121.35 1qck h ARG 75 Ca 0.08 -0.08 -0.14 0.00 0.07 0.00 0.00 59.98 59.91 1qck h ARG 75 Cb 0.80 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 1qck h ARG 75 CO 0.07 0.76 -0.24 -0.44 -1.07 0.00 0.00 179.97 179.04 1qck h ASP 76 N 1.13 1.03 -0.35 7.04 3.32 -1.44 -2.11 116.42 125.05 1qck h ASP 76 Ca 0.30 -0.40 -0.15 0.00 0.02 0.00 0.00 57.03 56.79 1qck h ASP 76 Cb -0.08 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.18 1qck h ASP 76 CO -0.06 1.21 -0.38 0.00 -1.72 0.00 0.00 179.24 178.29 1qck h PHE 78 N 0.67 -1.25 -0.42 0.00 3.57 -1.06 0.23 116.94 118.67 1qck h PHE 78 Ca 0.05 -0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.48 1qck h PHE 78 Cb 0.98 0.42 -0.02 0.00 2.79 0.00 0.00 35.95 40.11 1qck h PHE 78 CO 0.07 -0.78 0.09 0.78 -2.23 0.00 0.00 178.31 176.24 1qck h GLY 79 N -1.36 0.68 0.59 2.40 0.00 -1.44 0.61 103.07 104.54 1qck h GLY 79 Ca -0.14 -0.37 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 1qck h GLY 79 CO 0.23 0.35 -0.00 0.00 0.00 0.00 0.00 176.54 177.11 1qck h LEU 81 N -0.42 1.00 -0.86 0.00 3.38 -0.41 -2.00 115.31 116.00 1qck h LEU 81 Ca -0.00 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.46 1qck h LEU 81 Cb 0.41 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1qck h LEU 81 CO 0.00 1.28 0.42 -0.09 0.09 0.00 0.00 178.44 180.14 1qck h ARG 82 N 0.75 1.24 -0.25 1.13 2.43 0.24 -2.08 114.38 117.84 1qck h ARG 82 Ca 0.05 -0.18 -0.14 0.00 -0.81 0.00 0.00 59.98 58.90 1qck h ARG 82 Cb 1.03 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.34 1qck h ARG 82 CO 0.10 0.94 -0.44 0.93 -1.51 0.00 0.00 179.97 180.00 1qck h GLU 83 N 1.22 0.62 -0.83 0.20 5.08 -0.76 -1.86 114.58 118.24 1qck h GLU 83 Ca 0.30 -0.34 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1qck h GLU 83 Cb 0.11 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.34 1qck h GLU 83 CO -0.04 0.94 0.55 2.35 -1.00 0.00 0.00 179.01 181.82 1qck h TRP 84 N 0.50 1.05 -0.81 4.33 7.01 -0.91 -0.82 115.95 126.29 1qck h TRP 84 Ca 0.03 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.02 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 0.04 0.66 0.33 0.00 -2.79 0.00 0.00 178.44 176.68 1qck h ASP 86 N 1.18 0.94 0.30 0.00 3.32 -0.37 -2.20 116.42 119.59 1qck h ASP 86 Ca 0.27 -0.03 -0.33 0.00 0.02 0.00 0.00 57.03 56.96 1qck h ASP 86 Cb 0.20 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 1qck h ASP 86 CO -0.02 0.69 -1.76 0.00 -1.72 0.00 0.00 179.24 176.43 1qck h ALA 87 N 1.48 0.38 -3.00 3.45 0.00 -0.60 -3.45 119.26 117.53 1qck h ALA 87 Ca 0.30 -1.27 0.00 0.00 0.00 0.00 0.00 54.91 53.94 1qck h ALA 87 Cb -0.12 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1qck h ALA 87 CO -0.06 1.25 0.00 1.19 0.00 0.00 0.00 179.25 181.62 1qck n PHE 88 N -3.43 0.00 1.83 0.00 3.72 0.27 -5.10 117.46 114.76 1qck n PHE 88 Ca -0.23 0.00 0.15 0.00 -0.05 0.00 0.00 57.45 57.32 1qck n PHE 88 Cb 1.05 0.00 0.81 0.00 -0.94 0.00 0.00 39.48 40.40 1qck n PHE 88 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60